Identifier,Type,Program,Program_version,Sf_ID,Entry_ID,Comp_ID
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,22,10001,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,22,10001,NLW
zinc,SYSTEMATIC NAME,ACDLabs,10.04,238,10013,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238,10013,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,279,10015,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,279,10015,ZN
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,327,10017,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,327,10017,ADP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,765,10038,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,765,10038,ZN
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,1040,10051,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,1040,10051,GDP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,1167,10057,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,1167,10057,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,2016,10098,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,2016,10098,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,2225,10108,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,2225,10108,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,2276,10110,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,2276,10110,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,2715,10132,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,2730,10133,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,2745,10134,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,2760,10135,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,3017,10148,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,3017,10148,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,3086,10151,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,3086,10151,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,3106,10152,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,3106,10152,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,3126,10153,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,3126,10153,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3146,10154,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3166,10155,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3186,10156,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3206,10157,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3226,10158,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3385,10166,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3405,10167,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3425,10168,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3445,10169,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3478,10170,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3498,10171,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3518,10172,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3538,10173,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3558,10174,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3578,10175,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3598,10176,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3618,10177,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3638,10178,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3658,10179,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3691,10180,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3711,10181,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3731,10182,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3751,10183,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3771,10184,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3791,10185,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3811,10186,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3831,10187,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3851,10188,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3871,10189,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3904,10190,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3924,10191,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,3944,10192,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4018,10196,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4038,10197,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4058,10198,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4078,10199,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4124,10200,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4144,10201,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4164,10202,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4184,10203,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4204,10204,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4224,10205,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4244,10206,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4264,10207,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4284,10208,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4304,10209,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4337,10210,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4449,10216,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4469,10217,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4489,10218,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4509,10219,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4542,10220,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4562,10221,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4582,10222,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4602,10223,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4622,10224,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4642,10225,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4662,10226,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4682,10227,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4702,10228,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4722,10229,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4755,10230,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4775,10231,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4795,10232,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4815,10233,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,4835,10234,ZN
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,4945,1024,IYR
3-iodo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,4945,1024,IYR
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,5014,10243,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,5034,10244,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,5072,10246,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,5092,10247,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,5287,10257,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6182,10303,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6182,10303,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6202,10304,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6202,10304,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6222,10305,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6222,10305,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6242,10306,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6242,10306,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6262,10307,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6262,10307,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6282,10308,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6282,10308,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6302,10309,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6302,10309,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,6335,10310,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6335,10310,ZN
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6939,1042,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,6939,1042,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6953,1043,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,6953,1043,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6967,1044,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,6967,1044,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,6981,1045,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,6981,1045,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7047,1056,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,7047,1056,AYA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7061,1058,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,7061,1058,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,7062,1058,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,7219,1095,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7220,1095,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,7220,1095,M3L
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7273,1099,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,7273,1099,SAC
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7287,1100,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,7287,1100,SAC
copper(+1) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,7320,11001,CU1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,7392,11005,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7392,11005,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,7393,11005,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7393,11005,NH2
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7412,11006,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,7412,11006,FUC
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,7413,11006,NAG
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,7413,11006,NAG
"[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,7509,11010,GCP
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,7549,11012,ZN
copper(+1) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,7729,11020,CU1
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,7997,11036,ZN
"[(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(aminomethaniminium)",SYSTEMATIC NAME,ACDLabs,10.04,8292,11053,1
"[amino-[[4-[(amino-azaniumylidene-methyl)sulfanylmethyl]-2,5-dimethyl-phenyl]methylsulfanyl]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8292,11053,1
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,8398,11059,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8398,11059,NH2
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,8439,11061,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8578,1107,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,8578,1107,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,8579,1107,HEC
"methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8629,11073,JH3
"methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate",SYSTEMATIC NAME,ACDLabs,10.04,8629,11073,JH3
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8759,1108,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,8759,1108,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,8760,1108,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,8970,1109,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,8970,1109,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,8971,1109,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,9040,11093,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9040,11093,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9169,1110,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,9169,1110,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,9170,1110,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9365,1111,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,9365,1111,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,9366,1111,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9472,11115,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,9472,11115,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,9473,11115,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9473,11115,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9567,1112,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,9567,1112,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,9568,1112,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9762,1113,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,9762,1113,AAC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,9779,11130,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9779,11130,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,9799,11131,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9799,11131,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,9963,1114,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,9963,1114,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,9964,1114,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10087,11146,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10087,11146,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,10159,1115,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,10160,1115,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10160,1115,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10193,11151,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10193,11151,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10302,11157,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10302,11157,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10340,11159,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10340,11159,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10360,1116,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,10360,1116,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,10361,1116,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10394,11161,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10394,11161,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10414,11162,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10414,11162,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10434,11163,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10434,11163,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10454,11164,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10454,11164,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10474,11165,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10474,11165,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10494,11166,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10494,11166,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10514,11167,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10514,11167,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10534,11168,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10534,11168,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10554,11169,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10554,11169,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,10574,1117,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,10575,1117,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10575,1117,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10590,11170,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10590,11170,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,10610,11171,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,10610,11171,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,11229,11205,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,11229,11205,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,11761,11234,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,11761,11234,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,11817,11237,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,11817,11237,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,11838,11238,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,11838,11238,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,11858,11239,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,11858,11239,ZN
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,12006,11249,GSH
L-gamma-glutamyl-L-cysteinylglycine,SYSTEMATIC NAME,ACDLabs,10.04,12006,11249,GSH
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,12007,11249,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,12007,11249,FES
zinc,SYSTEMATIC NAME,ACDLabs,10.04,12722,11287,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,12722,11287,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,12760,11289,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,12760,11289,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,12847,11293,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,12847,11293,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13011,11302,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13011,11302,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13067,11305,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13067,11305,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13087,11306,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13087,11306,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13107,11307,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13107,11307,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13127,11308,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13127,11308,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13147,11309,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13147,11309,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13203,11312,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13203,11312,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13223,11313,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13223,11313,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13243,11314,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13243,11314,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13263,11315,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13263,11315,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13283,11316,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13283,11316,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13303,11317,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13303,11317,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13341,11319,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13341,11319,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13379,11321,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13379,11321,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13417,11323,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13417,11323,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13437,11324,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13437,11324,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13457,11325,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13457,11325,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13477,11326,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13477,11326,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13497,11327,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13497,11327,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13517,11328,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13517,11328,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13586,11331,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13586,11331,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13606,11332,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13606,11332,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13626,11333,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13626,11333,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13664,11335,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13664,11335,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13684,11336,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13684,11336,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13740,11339,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13740,11339,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13773,11340,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13773,11340,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13793,11341,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13793,11341,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13813,11342,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13813,11342,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13833,11343,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13833,11343,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13853,11344,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13853,11344,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13909,11347,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13909,11347,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13947,11349,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13947,11349,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,13980,11350,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,13980,11350,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14018,11352,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14018,11352,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14038,11353,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14038,11353,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14058,11354,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14058,11354,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14133,11358,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14133,11358,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14154,11359,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14154,11359,ZN
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14155,11359,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,14155,11359,MLY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14189,11360,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14189,11360,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14190,11360,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,14190,11360,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14211,11361,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14211,11361,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14212,11361,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,14212,11361,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14232,11362,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14232,11362,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14252,11363,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14252,11363,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14352,11368,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14352,11368,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14372,11369,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14372,11369,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14505,11377,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14505,11377,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14525,11378,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14525,11378,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14545,11379,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14545,11379,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14578,11380,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14578,11380,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14598,11381,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14598,11381,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14618,11382,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14618,11382,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14638,11383,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14638,11383,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14658,11384,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14658,11384,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14678,11385,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14678,11385,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14698,11386,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14698,11386,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14718,11387,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14718,11387,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14805,11391,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14805,11391,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14825,11392,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14825,11392,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14845,11393,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14845,11393,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14865,11394,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14865,11394,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14885,11395,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14885,11395,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,14905,11396,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,14905,11396,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,15023,11401,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15023,11401,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,15061,11403,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15061,11403,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,15278,11414,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15278,11414,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,15298,11415,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15298,11415,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,15318,11416,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15318,11416,ZN
2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,15604,11437,JDT
"[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,15604,11437,JDT
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,15945,11463,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,15945,11463,ALY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16012,11469,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16012,11469,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,16035,1147,HEC
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16090,11472,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,16090,11472,ATP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16126,11474,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16126,11474,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16146,11475,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16146,11475,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16166,11476,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16166,11476,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16186,11477,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16186,11477,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16206,11478,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16206,11478,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16226,11479,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16226,11479,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,16246,1148,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16261,11480,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16261,11480,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16281,11481,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16281,11481,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16301,11482,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16301,11482,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16321,11483,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16321,11483,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16341,11484,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16341,11484,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16361,11485,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16361,11485,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16381,11486,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16381,11486,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16401,11487,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16401,11487,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,16421,11488,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16421,11488,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,16463,1149,HEC
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16515,11492,NAP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16516,11492,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,16516,11492,FOL
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16579,11496,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,16579,11496,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,16667,1150,HEC
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,16720,11502,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16720,11502,CU1
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16746,11504,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,16746,11504,SEP
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,16821,11508,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,16821,11508,PTR
mercury,SYSTEMATIC NAME,ACDLabs,10.04,17117,11528,HG
mercury(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17117,11528,HG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,17137,11529,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17137,11529,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17296,11538,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17296,11538,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17312,11539,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17312,11539,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17390,11543,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17390,11543,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17551,11551,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17551,11551,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17569,11552,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17569,11552,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17587,11553,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17587,11553,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,17605,11554,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17605,11554,NH2
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17640,11556,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,17640,11556,FOL
"(2R,3S)-3-amino-4-sulfanyl-butan-2-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17890,11570,B27
"(2R,3S)-3-amino-4-sulfanylbutan-2-ol",SYSTEMATIC NAME,ACDLabs,10.04,17890,11570,B27
tert-butyl hydrogen carbonate,SYSTEMATIC NAME,ACDLabs,10.04,17891,11570,BOC
tert-butyl hydrogen carbonate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17891,11570,BOC
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17990,11578,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,17990,11578,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,17991,11578,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,17991,11578,TPO
gallium,SYSTEMATIC NAME,ACDLabs,10.04,18299,11596,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18299,11596,GA
silver(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18419,11608,AG
silver(1+),SYSTEMATIC NAME,ACDLabs,10.04,18419,11608,AG
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18573,1170,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,18573,1170,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,18574,1170,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18588,1171,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,18588,1171,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,18589,1171,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,18736,1192,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18737,1192,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,18737,1192,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,18751,1194,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,18752,1194,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18752,1194,M3L
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18753,1194,SMC
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,18753,1194,SMC
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18953,12018,SAM
"(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,18953,12018,SAM
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,18968,12019,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,18968,12019,FME
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,19012,12021,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,19012,12021,PCA
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,19028,12022,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,19028,12022,BGC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,19062,12026,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,19062,12026,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,19596,131,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,19597,131,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,19597,131,M3L
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,19949,1393,SAC
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,19949,1393,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,19963,1394,SAC
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,19963,1394,SAC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,20055,1403,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20055,1403,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,20068,1404,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20069,1404,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,20069,1404,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,20122,1416,HEC
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20162,144,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,20162,144,AYA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,20241,1445,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20241,1445,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,20242,1445,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20242,1445,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,20256,1446,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20256,1446,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,20257,1446,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20257,1446,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20414,146,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,20414,146,PCA
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20611,1481,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,20611,1481,LPD
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20625,1482,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,20625,1482,LPD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,20823,15001,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20823,15001,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,20843,15002,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20843,15002,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,20998,15014,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,20998,15014,ZN
"3-methyl-3H-imidazo[4,5-f]quinolin-2-amine",SYSTEMATIC NAME,ACDLabs,10.04,21133,15026,GIQ
"3-methylpyrido[3,2-e]benzimidazol-2-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21133,15026,GIQ
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21210,15031,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21210,15031,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21354,15040,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21354,15040,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21369,15041,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21369,15041,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21384,15042,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21384,15042,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21399,15043,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21399,15043,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21414,15044,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21414,15044,NH2
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21478,15048,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,21478,15048,GDP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21511,15050,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21511,15050,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21528,15051,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21528,15051,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,21611,15056,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21611,15056,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21612,15056,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,21612,15056,AIB
(2R)-2-amino-2-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21613,15056,DIV
D-isovaline,SYSTEMATIC NAME,ACDLabs,10.04,21613,15056,DIV
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21614,15056,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,21614,15056,HYP
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21615,15056,PHL
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,21615,15056,PHL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,21675,15059,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21675,15059,ZN
2-phosphonooxyethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21775,15065,PGA
(phosphonooxy)acetic acid,SYSTEMATIC NAME,ACDLabs,10.04,21775,15065,PGA
2-phosphonooxyethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21827,15067,PGA
(phosphonooxy)acetic acid,SYSTEMATIC NAME,ACDLabs,10.04,21827,15067,PGA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21848,15068,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21848,15068,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,21865,15069,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21865,15069,NH2
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,21932,15073,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,21932,15073,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,21949,15074,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,21949,15074,ZN
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,22078,15081,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22078,15081,PSU
2'-O-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,22079,15081,OMG
"[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22079,15081,OMG
"(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid",SYSTEMATIC NAME,ACDLabs,10.04,22140,15084,JN3
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22140,15084,JN3
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22443,15100,ZN
copper(+1) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22657,15112,CU1
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22658,15112,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22679,15113,ZN
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,22704,15114,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22704,15114,MYR
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,22741,15116,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22741,15116,MYR
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22796,15120,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22797,15120,CA
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]ethanamide,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,22798,15120,NGH
(3R)-3-hydroxytetradecanal,SYSTEMATIC NAME,ACDLabs,10.04,22838,15122,BFC
(3R)-3-hydroxytetradecanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22838,15122,BFC
(2R)-2-amino-4-methyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,22839,15122,DLE
D-leucine,SYSTEMATIC NAME,ACDLabs,10.04,22839,15122,DLE
cis-7-heptadecenoic_acid,SYSTEMATIC NAME,,,23235,15143,CHDA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,23297,15145,PCA
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,23519,15159,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,23519,15159,TPO
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,23554,15160,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,23577,15161,ZN
"(2S)-2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,23759,15170,SAH
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,23818,15173,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,23833,15174,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,23833,15174,HYP
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,23851,15175,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,23851,15175,HYP
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,23934,1518,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,23934,1518,LPD
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24106,1519,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,24106,1519,LPD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,24230,15196,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24230,15196,ZN
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24338,15202,GNP
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24339,15202,MG
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24448,15208,ZN
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24655,15219,REA
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,24708,15223,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24708,15223,ORP
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,24725,15224,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24725,15224,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methoxyphosphonic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24775,15227,ORP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24831,15230,GNP
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,24832,15230,MG
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24833,15230,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,24833,15230,HOH
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,24972,15238,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,24972,15238,ORP
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25028,15241,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,25028,15241,PCA
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25029,15241,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,25029,15241,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,25030,15241,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25030,15241,NH2
"(1R,4S,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25160,15249,CMP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25213,15253,FOL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,25547,15270,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25547,15270,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25591,15272,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,25591,15272,HYP
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25592,15272,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,25592,15272,DPN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25612,15273,HYP
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25734,15279,CA
(2S)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25810,15282,MEA
"(2S)-2-amino-2,4-dimethyl-pentanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25841,15284,2ML
(2S)-2-amino-6-methylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25857,15285,MLZ
(2S)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25887,15287,MEA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,25924,15289,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25924,15289,ZN
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,25968,15291,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,25968,15291,SAR
(2R)-3-hydroxy-2-methylamino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,25983,15292,DSE
N-methyl-D-serine,SYSTEMATIC NAME,ACDLabs,10.04,25983,15292,DSE
"(2S)-2-amino-2,4-dimethyl-pentanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25998,15293,2ML
(2R)-3-hydroxy-2-methylamino-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,25999,15293,DSE
(2S)-3-methyl-2-methylamino-butanamide,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26014,15294,MNV
"(2S)-2-amino-2,4-dimethyl-pentanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26015,15294,2ML
(2R)-3-hydroxy-2-methylamino-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26016,15294,MethylSER
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26053,15296,CA
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26100,15300,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,26125,15301,HEC
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,26126,15301,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,26126,15301,FES
"2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]oxyethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.4.2,26592,15331,CM0
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methoxyphosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.4.2,26593,15331,6MZ
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26632,15333,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,26769,15338,ZN
"2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]oxyethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.4.2,26907,15342,CM0
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27318,15361,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27319,15361,CA
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]ethanamide,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27320,15361,NGH
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]methoxyphosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.4.2,27344,15362,6MZ
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27366,15363,HYP
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27367,15363,DPN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27388,15364,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27537,15373,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27564,15374,ZN
nickel(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27586,15375,NI
"[(2R,3S,5R)-5-(3-aminocarbonyl-5-nitro-indol-1-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27610,15376,NCX
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27631,15377,ZN
"(2R)-2-bromo-2-chloro-1,1,1-trifluoro-ethane",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27774,15384,HLT
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27796,15385,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,27852,15388,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,27920,15391,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,27920,15391,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,27921,15391,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,27921,15391,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,27938,15392,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,27938,15392,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,27939,15392,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,27939,15392,NH2
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,28007,15395,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,28008,15395,CA
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,28027,15396,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,28028,15396,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,28093,15400,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28093,15400,CA
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28094,15400,FTR
5-fluoro-L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,28094,15400,FTR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,28131,15402,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28131,15402,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,28498,15422,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28498,15422,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,28499,15422,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28499,15422,MG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,28546,15425,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28546,15425,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,28547,15425,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28547,15425,MG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,28579,15427,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28579,15427,CA
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28580,15427,FTR
5-fluoro-L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,28580,15427,FTR
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,28670,15433,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28670,15433,OLA
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,28697,15434,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28697,15434,OLA
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28883,15443,NFA
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,28883,15443,NFA
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,28884,15443,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,28884,15443,ORN
(2S)-2-amino-3-cyclohexyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28885,15443,CHA
(2S)-2-amino-3-cyclohexylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,28885,15443,CHA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,28950,15446,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,28950,15446,ZN
"(2S,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29122,15454,ALO
L-allothreonine,SYSTEMATIC NAME,ACDLabs,10.04,29122,15454,ALO
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,29147,15455,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29147,15455,ABA
"[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29398,15467,BG6
6-O-phosphono-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,29398,15467,BG6
tetrafluoroaluminate(1-),SYSTEMATIC NAME,ACDLabs,10.04,29399,15467,ALF
tetrafluoroaluminum,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29399,15467,ALF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,29400,15467,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29400,15467,MG
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29458,15470,CA
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29793,15488,STI
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide,SYSTEMATIC NAME,ACDLabs,10.04,29793,15488,STI
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29819,15489,AYA
"(2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,29881,15492,HWD
"3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine",SYSTEMATIC NAME,ACDLabs,10.04,29881,15492,HWD
"(2S)-2-amino-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29898,15493,FWD
"(2S)-2-amino-3-(5-bromo-2,4-dioxo-pyrimidin-1-yl)propanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29915,15494,BWD
"(2S)-2-amino-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)propanoic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29932,15495,IWD
"(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-yl-pyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29949,15496,KAI
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,29997,15499,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30016,15500,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,30085,15504,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,30085,15504,ACE
"(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",SYSTEMATIC NAME,ACDLabs,10.04,30134,15507,RAP
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30284,15515,CA
decanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30285,15515,DKA
(2R)-2-amino-3-aminocarbonyl-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30286,15515,DSG
[(1S)-4-azaniumyl-1-carboxy-butyl]azanium,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30287,15515,ORN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30288,15515,DAL
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30289,15515,DSN
"(2S,3S)-2-amino-3-methyl-pentanedioic acid",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30290,15515,MEG
(2R)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30291,15515,KYN
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,30446,15525,GNP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,30446,15525,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,30447,15525,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,30447,15525,MG
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,30448,15525,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,30448,15525,HOH
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30599,15532,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30619,15533,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30856,15545,ZN
"2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,30877,15546,UQ8
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,31003,15553,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,31003,15553,NAG
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,31026,15554,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,31127,15561,CA
"1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,31143,15562,MTN
"S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",SYSTEMATIC NAME,ACDLabs,12.01,31143,15562,MTN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,31213,15565,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,31213,15565,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,31214,15565,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,31214,15565,NH2
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,31516,15578,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,31516,15578,CD
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,31789,15594,CA
ytterbium(+3) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,31790,15594,YB
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,31921,15602,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,32116,15610,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,32116,15610,ZN
"(11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one",SYSTEMATIC NAME,ACDLabs,10.04,32196,15613,PZD
"(6aS)-2,3-dimethoxy-8-naphthalen-2-yl-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,32196,15613,PZD
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32325,15620,PCA
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32342,15621,MAN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32377,15623,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32394,15624,CA
"(1aS,5R,6R,9aR)-6-{[2,6-dideoxy-2-(methylamino)-a-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-naphthoate",SYSTEMATIC NAME,ACD-LABS,4.04,32489,15629,CHR
cyclohexylcarbamic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32490,15629,OHO
gallium(+3) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32491,15629,GA
(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32571,15635,TYS
(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32616,15637,TYS
(2S)-2-acetamido-4-aminocarbonyl-butanoic acid,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32656,15639,NLQ
(2S)-2-amino-3-hydroxy-propanamide,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32657,15639,SET
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,32673,15640,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,32673,15640,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,32674,15640,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,32674,15640,NH2
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32737,15644,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,32846,15650,CA
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33028,15658,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,33028,15658,PNS
zinc(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,33072,15660,ZN
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,33141,15663,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,33256,15670,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33256,15670,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,33279,15671,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33279,15671,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33280,15671,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,33280,15671,M3L
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,33601,15690,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33601,15690,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,33757,15700,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33757,15700,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,33784,15701,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33784,15701,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,33857,15704,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33857,15704,CA
Dysprosium,SYSTEMATIC NAME,ACDLabs,10.04,33874,15705,DY
Dysprosium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33874,15705,DY
2-propan-2-yloxyphosphonoyloxypropane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33894,15706,DFP
bis(1-methylethyl) phosphonate,SYSTEMATIC NAME,ACDLabs,10.04,33894,15706,DFP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,33895,15706,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,33895,15706,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,34043,15715,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34043,15715,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,34063,15716,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34063,15716,CA
"3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34081,15717,CYC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,34081,15717,CYC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,34196,15722,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34196,15722,CA
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,34239,15724,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34239,15724,FMN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,12.01,34279,15725,FMN
"[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,34279,15725,FMN
"2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,12.01,34462,15734,35G
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,34528,15737,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34528,15737,A2G
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34529,15737,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,34529,15737,BGC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,34652,15743,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34652,15743,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,34721,15747,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34721,15747,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,34722,15747,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,34722,15747,NH2
"(1-hydroxy-2,2,5,5-tetramethyl-pyrrol-3-yl)methanethiol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35205,15774,MTN
"2,2,5,5-tetramethyl-3-(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol",SYSTEMATIC NAME,ACDLabs,10.04,35205,15774,MTN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,35250,15776,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35250,15776,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,35291,15778,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35291,15778,ACE
(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,35292,15778,TYS
O-sulfo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,12.01,35292,15778,TYS
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,35293,15778,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35293,15778,NH2
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,35501,15788,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35501,15788,FAD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,35521,15789,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35521,15789,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,35643,15796,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35643,15796,ZN
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35730,15800,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,35730,15800,LAT
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35788,15803,GNP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,35788,15803,GNP
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35916,15809,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,35916,15809,GDP
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,35917,15809,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35917,15809,MYR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,35978,15811,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,35978,15811,ZN
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,36869,15848,COA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,36869,15848,COA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,36979,15851,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,36979,15851,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,37003,15852,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37003,15852,CA
"(2S)-2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]-5-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-hydroxy-5-oxo-pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37046,15854,ITL
"(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid",SYSTEMATIC NAME,ACDLabs,10.04,37046,15854,ITL
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole,SYSTEMATIC NAME,ACDLabs,10.04,37213,15860,D33
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37213,15860,D33
dodecyl hydrogen sulfate,SYSTEMATIC NAME,ACDLabs,10.04,37481,15876,SDS
dodecyl hydrogen sulfate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37481,15876,SDS
(2S)-2-amino-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37532,15879,NAL
(2S)-2-amino-3-naphthalen-2-ylpropanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,10.04,37532,15879,NAL
(2S)-2-amino-6-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37533,15879,DNS
N~6~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,37533,15879,DNS
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,37585,15881,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,37585,15881,NAG
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,37846,15896,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37846,15896,CU
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,37868,15897,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,37868,15897,CU
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,38059,15904,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38059,15904,FMN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,38225,15909,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38225,15909,CA
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,38372,15915,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38372,15915,PSU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,38446,15918,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38446,15918,CA
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38464,15919,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,38464,15919,TPO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,38527,15923,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38527,15923,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,38590,15926,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38590,15926,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,38715,15934,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38715,15934,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,38733,15935,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38733,15935,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,38869,15941,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38869,15941,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,38986,15948,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,38986,15948,ZN
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,39102,15955,RET
retinal,SYSTEMATIC NAME,ACDLabs,12.01,39102,15955,RET
"(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]",SYSTEMATIC NAME,ACDLabs,10.04,39199,15960,IHP
"(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,39199,15960,IHP
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,39568,15983,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,39568,15983,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,39569,15983,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,39569,15983,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,39589,15986,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,39589,15986,HYP
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,39590,15986,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,39590,15986,NAG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,40096,16014,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40096,16014,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,40114,16015,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40114,16015,ZN
"(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",SYSTEMATIC NAME,ACDLabs,10.04,40192,16020,308
adamantan-1-amine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40192,16020,308
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,40227,16022,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40227,16022,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,40228,16022,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40228,16022,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,40248,16023,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40248,16023,ACE
(2S)-2-amino-3-(3H-imidazol-4-yl)propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40249,16023,HIA
L-histidinamide,SYSTEMATIC NAME,ACDLabs,10.04,40249,16023,HIA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,40250,16023,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40250,16023,NH2
gallium,SYSTEMATIC NAME,ACDLabs,10.04,40271,16024,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40271,16024,GA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,40291,16025,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40291,16025,ZN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40310,16026,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,40310,16026,DAL
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40342,16028,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,40342,16028,FME
calcium,SYSTEMATIC NAME,ACDLabs,10.04,40471,16034,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40471,16034,CA
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,40510,16037,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40510,16037,FMN
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40531,16038,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,40531,16038,TPO
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40563,16040,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,40563,16040,PCA
"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid",SYSTEMATIC NAME,ACDLabs,10.04,40666,16046,HXA
"(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40666,16046,HXA
(9E)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,40682,16047,ELA
(E)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40682,16047,ELA
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,40698,16048,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40698,16048,OLA
"(9Z,12Z)-octadeca-9,12-dienoic acid",SYSTEMATIC NAME,ACDLabs,10.04,40714,16049,EIC
"(9Z,12Z)-octadeca-9,12-dienoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40714,16049,EIC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,40731,16050,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40731,16050,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,40842,16056,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40842,16056,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,40843,16056,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40843,16056,NH2
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40902,16059,AMP
5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,10.04,40902,16059,AMP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,40986,16063,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,40986,16063,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,42137,16126,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,42137,16126,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,42154,16127,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,42154,16127,ZN
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole,SYSTEMATIC NAME,ACDLabs,10.04,42309,16138,D33
"[(2R,3S,5R)-3-hydroxy-5-imidazol-1-yl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,42309,16138,D33
silver(1+),SYSTEMATIC NAME,ACDLabs,10.04,42310,16138,AG
silver(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,42310,16138,AG
(2R)-2-azanyl-3-selanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,42348,16140,SEC
3-selanyl-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,42348,16140,SEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,43094,16179,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43094,16179,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,43115,16180,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43115,16180,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,43136,16181,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43136,16181,CA
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,43155,16182,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,43155,16182,NLW
N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43343,16190,WW7
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide,SYSTEMATIC NAME,ACDLabs,10.04,43343,16190,WW7
calcium,SYSTEMATIC NAME,ACDLabs,10.04,43344,16190,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43344,16190,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,43363,16191,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43363,16191,CA
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43454,16196,SXA
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] ethanethioate",SYSTEMATIC NAME,ACDLabs,10.04,43454,16196,SXA
"3-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,43472,16197,SXM
"3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,43472,16197,SXM
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] butanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43504,16199,PSR
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate",SYSTEMATIC NAME,ACDLabs,10.04,43504,16199,PSR
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] hexanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43548,16200,SXH
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",SYSTEMATIC NAME,ACDLabs,10.04,43548,16200,SXH
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] octanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43566,16201,SXO
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",SYSTEMATIC NAME,ACDLabs,10.04,43566,16201,SXO
"[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43584,16202,SXV
"N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,43584,16202,SXV
"[(3S)-4-[[3-[2-(3,5-dioxohexylsulfanyl)ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43602,16203,SXD
"N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,43602,16203,SXD
(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43619,16204,HIS
3-(1H-imidazol-3-ium-4-yl)-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,43619,16204,HIS
mercury,SYSTEMATIC NAME,ACDLabs,10.04,43679,16208,HG
mercury(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43679,16208,HG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,43695,16209,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43695,16209,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,43714,16210,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43714,16210,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43715,16210,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,43715,16210,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,43779,16214,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43779,16214,ZN
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,43924,16222,FAG
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,43946,16223,FAG
"[(2R,3S,5R)-5-[(5R,6S)-5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43968,16225,CTG
"5,6-dihydroxythymidine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,10.04,43968,16225,CTG
"[(2R,3S,5R)-5-[(5R,6S)-5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,43993,16226,CTG
"5,6-dihydroxythymidine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,10.04,43993,16226,CTG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,44317,16245,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44317,16245,ZN
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44368,16248,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,44368,16248,TPO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,44724,16266,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44724,16266,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,44818,16270,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44818,16270,CA
benzyl formate,SYSTEMATIC NAME,ACDLabs,10.04,44819,16270,PHQ
phenylmethyl methanoate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44819,16270,PHQ
"(2R,3S)-3-amino-4-sulfanyl-butan-2-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44820,16270,B27
"(2R,3S)-3-amino-4-sulfanylbutan-2-ol",SYSTEMATIC NAME,ACDLabs,10.04,44820,16270,B27
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,44948,16276,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44948,16276,CMO
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,44993,16278,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44993,16278,CMO
1H-imidazol-3-ium,SYSTEMATIC NAME,ACDLabs,10.04,44995,16278,IMD
3H-imidazol-1-ium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,44995,16278,IMD
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,45514,16307,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,45514,16307,HEM
"(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid",SYSTEMATIC NAME,ACDLabs,10.04,45544,16309,JN3
"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,45544,16309,JN3
zinc,SYSTEMATIC NAME,ACDLabs,10.04,45731,16318,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,45731,16318,ZN
"(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,46028,16337,TOY
"(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxy-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,46028,16337,TOY
calcium,SYSTEMATIC NAME,ACDLabs,10.04,46105,16340,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,46105,16340,CA
(2R)-2-aminopentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,46159,16343,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,10.04,46159,16343,DGL
2-hydroxy-1-oxido-pyridin-1-ium-4-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,46431,16356,INO
2-hydroxypyridine-4-carboxylic acid 1-oxide,SYSTEMATIC NAME,ACDLabs,10.04,46431,16356,INO
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,46661,16368,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,46661,16368,ACE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,47357,16397,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47357,16397,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47421,16400,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,47421,16400,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,47464,16402,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47464,16402,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,47572,16408,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47572,16408,CU1
1-O-phosphono-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,47596,16409,GL1
"[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47596,16409,GL1
trifluoromagnesate(1-),SYSTEMATIC NAME,ACDLabs,10.04,47597,16409,MGF
trifluoromagnesium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47597,16409,MGF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,47598,16409,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47598,16409,MG
"[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47685,16415,LHG
"(2R)-3-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate",SYSTEMATIC NAME,ACDLabs,10.04,47685,16415,LHG
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47707,16416,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,47707,16416,NLE
(2S)-2-amino-3-(4-nitrophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47708,16416,PPN
4-nitro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,47708,16416,PPN
"S-{17-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-hexadec-2-enethioate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,47765,16419,TH3
"S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-hexadec-2-enethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47765,16419,TH3
"1,3-diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47856,16423,SB3
"(1R)-1,3-diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate",SYSTEMATIC NAME,ACDLabs,10.04,47856,16423,SB3
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47917,16426,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,47917,16426,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47918,16426,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,47918,16426,TPO
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,47969,1643,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,47969,1643,LPD
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48004,16431,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,48004,16431,DAR
methylphosphonamidic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48005,16431,PPA
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48155,16441,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,48155,16441,ATP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48333,16451,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,48333,16451,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,48334,16451,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48334,16451,MG
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,48365,16453,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48365,16453,PO4
calcium,SYSTEMATIC NAME,ACDLabs,10.04,48388,16454,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48388,16454,CA
"1,2,3,4,6-pentakis-O-[(3,4,5-trihydroxyphenyl)carbonyl]-alpha-L-gulopyranose",SYSTEMATIC NAME,ACDLabs,10.04,48405,16455,GGP
"[(2S,3S,4S,5R,6S)-3,4,5-tris[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48405,16455,GGP
"2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,48465,16457,CE6
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,48465,16457,CE6
"2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48487,16458,CHO
"N-[(3alpha,5beta,7beta,8alpha)-3,7-dihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,48487,16458,CHO
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,48528,1646,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,48577,16462,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48577,16462,ACE
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48617,16464,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,48617,16464,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,48618,16464,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48618,16464,MG
(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,48619,16464,3PG
(2R)-2-hydroxy-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48619,16464,3PG
tetrafluoroaluminate(1-),SYSTEMATIC NAME,ACDLabs,10.04,48620,16464,ALF
tetrafluoroaluminum,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48620,16464,ALF
calcium,SYSTEMATIC NAME,ACDLabs,10.04,48637,16465,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48637,16465,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,48737,1647,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,48804,16473,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48804,16473,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,48828,16475,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48828,16475,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,48940,16480,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48940,16480,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,48964,16481,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48964,16481,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,48989,16482,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,48989,16482,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,49015,16483,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49015,16483,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,49063,16485,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49063,16485,ZN
"ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate",SYSTEMATIC NAME,ACDLabs,11.02,49186,16491,JZF
"ethyl 2-[4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxo-cyclohexyl]-2-hydroxy-ethyl]-2,6-dioxo-piperidin-1-yl]ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,49186,16491,JZF
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49211,16492,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,49211,16492,FME
zinc,SYSTEMATIC NAME,ACDLabs,10.04,49212,16492,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49212,16492,ZN
"(2,3,4,5,6-pentasulfooxycyclohexyl) hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49234,16493,IHS
"cyclohexane-1,2,3,4,5,6-hexayl hexakis(hydrogen sulfate)",SYSTEMATIC NAME,ACDLabs,10.04,49234,16493,IHS
"naphthalene-1,3,6-trisulfonate",SYSTEMATIC NAME,ACDLabs,10.04,49425,16502,NTS
"naphthalene-1,3,6-trisulfonate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49425,16502,NTS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49495,16506,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,49495,16506,PNS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,49549,16509,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49549,16509,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,49582,16510,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49582,16510,ZN
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] hexanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49839,16524,SXH
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",SYSTEMATIC NAME,ACDLabs,10.04,49839,16524,SXH
"[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxooctylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,49858,16525,SYO
"N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxooctyl)sulfanyl]ethyl}-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,11.02,49858,16525,SYO
5-hydroxypentanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,49877,16526,SHO
5-hydroxypentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49877,16526,SHO
"(1R,3aR,4S,4aR,6R,7S,7aS,8aS)-6-chloro-4-formyl-7-methyl-3-(1-methylethyl)-8a-({[(3aS,5R,7R,7aS)-7-methyl-3-methylidenehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,49898,16527,SOD
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] octanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,49917,16528,SXO
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",SYSTEMATIC NAME,ACDLabs,10.04,49917,16528,SXO
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50120,1654,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,50120,1654,NLE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50307,1655,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,50307,1655,NLE
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50335,16551,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,50335,16551,SEP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,50525,16561,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50525,16561,CA
"(2R)-2,3-dihydroxypropyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,50663,16566,G3P
"[(2R)-2,3-dihydroxypropyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50663,16566,G3P
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,50952,16579,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,50952,16579,FMN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,51136,16584,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51136,16584,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,51329,16594,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51329,16594,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,51371,16596,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51371,16596,ZN
"(2S)-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)imidazo[3,2-a]pyrazin-3-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51432,16599,CZH
"(2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one",SYSTEMATIC NAME,ACDLabs,10.04,51432,16599,CZH
"(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,51535,16604,TOY
"(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxy-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51535,16604,TOY
"(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,51637,16609,RIO
"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-oxane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51637,16609,RIO
"(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine",SYSTEMATIC NAME,ACDLabs,10.04,51719,16612,308
adamantan-1-amine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51719,16612,308
zinc,SYSTEMATIC NAME,ACDLabs,10.04,51879,16620,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51879,16620,ZN
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,51952,16624,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,51952,16624,PNS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,52227,16639,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52227,16639,CA
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,52530,16654,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52530,16654,PSU
"1,4-anhydro-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,52531,16654,N
"[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52531,16654,N
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,52554,16655,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52554,16655,PSU
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52686,16659,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,52686,16659,TPO
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52687,16659,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,52687,16659,SEP
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52791,16663,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,52791,16663,DAL
hexadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,52823,16665,PLM
hexadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52823,16665,PLM
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52881,16668,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,52881,16668,GDP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,52936,16671,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,52936,16671,CA
"(2S)-2-amino-6-[[(2E,4Z,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]hexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53063,16678,LYR
"N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,53063,16678,LYR
"N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxyphenyl)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53143,16682,EB4
"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)",SYSTEMATIC NAME,ACDLabs,10.04,53143,16682,EB4
gallium,SYSTEMATIC NAME,ACDLabs,10.04,53144,16682,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53144,16682,GA
(2S)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53261,16687,VAL
L-valine,SYSTEMATIC NAME,ACDLabs,10.04,53261,16687,VAL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53696,16707,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53696,16707,ABA
2-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,53697,16707,2KT
2-oxobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,53697,16707,2KT
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53698,16707,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53698,16707,DHA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53699,16707,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53699,16707,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53700,16707,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,53700,16707,DAL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53733,16709,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53733,16709,ABA
2-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,53734,16709,2KT
2-oxobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,53734,16709,2KT
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53735,16709,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53735,16709,DHA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,53736,16709,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53736,16709,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53737,16709,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,53737,16709,DAL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,53966,16721,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,53966,16721,ZN
terbium(3+),SYSTEMATIC NAME,ACDLabs,10.04,54158,16736,TB
terbium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54158,16736,TB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,54249,16740,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54249,16740,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,54266,16741,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54266,16741,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,54318,16744,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54318,16744,ZN
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,54390,16747,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,54390,16747,NAG
2-hydroxybenzoic acid,SYSTEMATIC NAME,ACDLabs,10.04,54472,16751,SAL
2-hydroxybenzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54472,16751,SAL
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,54582,16757,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54582,16757,CU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,54597,16758,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54597,16758,CA
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,54612,16759,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54612,16759,PO4
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54655,16761,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,54655,16761,ATP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,54710,16764,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54710,16764,CA
5-[[(1S)-1-[hydroxy-[2-oxo-2-(phenethylamino)ethoxy]phosphoryl]-2-phenyl-ethyl]amino]-5-oxo-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54711,16764,HAL
"(7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide",SYSTEMATIC NAME,ACDLabs,10.04,54711,16764,HAL
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54926,16778,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,54926,16778,MLY
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,54969,16780,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,54969,16780,FAD
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55068,16784,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,55068,16784,HYP
"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55087,16785,GPR
"L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine",SYSTEMATIC NAME,ACDLabs,10.04,55087,16785,GPR
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55106,16786,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,55106,16786,DPN
"(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]sulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55107,16786,GPR
"L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine",SYSTEMATIC NAME,ACDLabs,10.04,55107,16786,GPR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,55351,16797,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55351,16797,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55467,16804,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,55467,16804,FES
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,55551,16807,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55551,16807,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,55685,16812,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55685,16812,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,55727,16814,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55727,16814,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,55747,16815,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55747,16815,ZN
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55894,16822,NAP
"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,55895,16822,N22
"5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethyl-pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,55895,16822,N22
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,56123,16841,NAG
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56123,16841,NAG
nickel(2+),SYSTEMATIC NAME,ACDLabs,10.04,56259,16849,NI
nickel(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56259,16849,NI
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56325,16852,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,56325,16852,FOL
"(2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,56349,16853,DPC
"(4S,5R,6R)-5-acetamido-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56349,16853,DPC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56417,16858,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56417,16858,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56418,16858,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,56418,16858,ALY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56447,16859,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56447,16859,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56448,16859,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,56448,16859,ALY
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56476,16860,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,56476,16860,PNS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56531,16861,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56531,16861,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56532,16861,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,56532,16861,ALY
calcium,SYSTEMATIC NAME,ACDLabs,10.04,56560,16862,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56560,16862,CA
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56616,16865,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,56616,16865,SAC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56617,16865,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56617,16865,ZN
"(2S)-2-amino-6-[[(3R,4R)-1-[(2S)-1-hydroxy-3-[(S)-methylsulfinyl]-1-oxo-propan-2-yl]-2-oxo-4-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56618,16865,ACS
"N~6~-[(3R,4R)-1-{(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl}-2-oxo-4-sulfanylazetidin-3-yl]-6-oxo-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,56618,16865,ACS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56748,16872,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56748,16872,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,56862,16878,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,56862,16878,ZN
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,57053,16888,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57053,16888,MYR
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,57072,16889,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57072,16889,MYR
"[(2R)-1-butanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] butanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57073,16889,PBU
"(2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate",SYSTEMATIC NAME,ACDLabs,10.04,57073,16889,PBU
"1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine",SYSTEMATIC NAME,ACDLabs,10.04,57157,16894,IMY
"[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-yl-methanone",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57157,16894,IMY
5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine,SYSTEMATIC NAME,ACDLabs,10.04,57561,16916,ACP
"[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57561,16916,ACP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,57562,16916,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57562,16916,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,57602,16918,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57602,16918,MG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,57802,16929,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57802,16929,CA
"(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",SYSTEMATIC NAME,ACDLabs,10.04,57850,16931,RAP
"(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone",SYSTEMATIC NAME,ACDLabs,10.04,57898,16933,RAP
"2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-[(2S)-1-hydroxy-2-methyl-butyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57977,16936,THY
"(2S)-1-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylbutan-1-ide",SYSTEMATIC NAME,ACDLabs,10.04,57977,16936,THY
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,57978,16936,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57978,16936,5CM
manganese(2+),SYSTEMATIC NAME,ACDLabs,10.04,57979,16936,MN
manganese(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,57979,16936,MN
sodium,SYSTEMATIC NAME,ACDLabs,10.04,58040,16940,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58040,16940,NA
"1,3-dichloropropan-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58041,16940,CHM
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,58060,16941,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,58060,16941,DPR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,58350,16955,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58350,16955,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,58366,16956,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58366,16956,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,58416,16958,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58416,16958,ZN
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58682,1697,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,58682,1697,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58807,1698,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,58807,1698,PCA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,58873,16983,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58873,16983,ZN
"(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58889,16984,AOS
D-allose,SYSTEMATIC NAME,ACDLabs,10.04,58889,16984,AOS
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,58971,1699,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,58971,1699,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,59033,16994,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,59033,16994,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,59693,17023,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,59693,17023,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,59715,17024,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,59715,17024,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60138,17040,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,60138,17040,ALY
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,60139,17040,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60139,17040,NH2
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60160,17041,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,60160,17041,TRP
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60249,17046,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,60249,17046,TRP
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60275,17047,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,60275,17047,TRP
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,60345,17052,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60345,17052,CTO
"(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",SYSTEMATIC NAME,ACDLabs,10.04,60382,17054,SXX
"(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60382,17054,SXX
"(2R)-2-bromo-2-chloro-1,1,1-trifluoroethane",SYSTEMATIC NAME,ACDLabs,10.04,60414,17056,HLT
"(2R)-2-bromo-2-chloro-1,1,1-trifluoro-ethane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60414,17056,HLT
hexadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,60430,17057,PLM
hexadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60430,17057,PLM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,60431,17057,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60431,17057,CYN
cerium(3+),SYSTEMATIC NAME,ACDLabs,10.04,60446,17058,CE
cerium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60446,17058,CE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,60508,17061,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60508,17061,CA
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60564,17064,RET
retinal,SYSTEMATIC NAME,ACDLabs,10.04,60564,17064,RET
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60704,17071,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,60704,17071,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60730,17072,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,60730,17072,M3L
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,60844,17078,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60844,17078,MG
"[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60845,17078,H2U
5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,60845,17078,H2U
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,60846,17078,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60846,17078,PSU
potassium,SYSTEMATIC NAME,ACDLabs,10.04,66677,17379,K
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60847,17078,5MU
5-methyluridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,60847,17078,5MU
2'-O-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,60848,17078,OMG
"[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60848,17078,OMG
1-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,60849,17078,1MG
"[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60849,17078,1MG
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60867,17079,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,60867,17079,M3L
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,60893,17080,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,60893,17080,PTR
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,61055,17088,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61055,17088,PSU
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,61129,17091,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61129,17091,CD
"(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,61171,17093,TSA
"(1S,3S,5R,6R)-6-hydroxy-4-oxabicyclo[3.3.1]non-7-ene-1,3-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61171,17093,TSA
4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide,SYSTEMATIC NAME,ACDLabs,10.04,61191,17094,BRN
4-[(2E)-2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61191,17094,BRN
1H-imidazol-3-ium,SYSTEMATIC NAME,ACDLabs,10.04,61246,17097,IMD
3H-imidazol-1-ium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61246,17097,IMD
2-methyl-1H-imidazole,SYSTEMATIC NAME,ACDLabs,10.04,61247,17097,2MZ
2-methyl-1H-imidazole,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61247,17097,2MZ
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61263,17098,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,61263,17098,ATP
"2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid",SYSTEMATIC NAME,ACDLabs,10.04,61280,17099,EDT
2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61280,17099,EDT
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61323,17100,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,61323,17100,PTR
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,61338,17101,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61338,17101,CTO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,61356,17102,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61356,17102,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,61376,17103,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61376,17103,CA
"2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",SYSTEMATIC NAME,ACDLabs,10.04,61431,17106,PRF
"2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61431,17106,PRF
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61457,17107,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,61457,17107,DAL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,61541,17112,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61541,17112,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,61560,17113,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61560,17113,ZN
"(2S)-2,4-bis(azanyl)-1-piperidin-1-yl-butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,61610,17116,OPY
"(2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,61610,17116,OPY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,61627,17118,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61627,17118,ZN
1-methyl-1H-imidazol-3-ium,SYSTEMATIC NAME,ACDLabs,10.04,61674,17120,1MZ
1-methylimidazol-3-ium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61674,17120,1MZ
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61706,17122,FTR
5-fluoro-L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,61706,17122,FTR
"(2R)-2,3-dihydroxypropyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,61707,17122,G3P
"[(2R)-2,3-dihydroxypropyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,61707,17122,G3P
calcium,SYSTEMATIC NAME,ACDLabs,10.04,61728,17123,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61728,17123,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,61893,17130,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61893,17130,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,61953,17133,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,61953,17133,ZN
"(8S)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62308,17153,QUA
"(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,62308,17153,QUA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62309,17153,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62309,17153,DHA
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62310,17153,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,62310,17153,BB9
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62311,17153,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62311,17153,DBU
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62312,17153,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,62312,17153,DCY
"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,62313,17153,TS9
"(2S,3S,4R)-2-azanyl-3,4-dihydroxy-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62313,17153,TS9
(2E)-3-hydroxy-2-iminopropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,62314,17153,MH6
3-hydroxy-2-imino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62314,17153,MH6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,62315,17153,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62315,17153,NH2
"(8S)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62333,17154,QUA
"(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,62333,17154,QUA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62334,17154,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62334,17154,DHA
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62335,17154,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,62335,17154,BB9
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62336,17154,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62336,17154,DBU
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62337,17154,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,62337,17154,DCY
"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,62338,17154,TS9
"(2S,3S,4R)-2-azanyl-3,4-dihydroxy-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62338,17154,TS9
(2E)-3-hydroxy-2-iminopropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,62339,17154,MH6
3-hydroxy-2-imino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62339,17154,MH6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,62340,17154,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62340,17154,NH2
"(8S)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62358,17155,QUA
"(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,62358,17155,QUA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62359,17155,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62359,17155,DHA
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62360,17155,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,62360,17155,BB9
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62361,17155,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62361,17155,DBU
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62362,17155,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,62362,17155,DCY
"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,62363,17155,TS9
"(2S,3S,4R)-2-azanyl-3,4-dihydroxy-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62363,17155,TS9
(2E)-3-hydroxy-2-iminopropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,62364,17155,MH6
3-hydroxy-2-imino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62364,17155,MH6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,62365,17155,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62365,17155,NH2
"(8S)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62383,17156,QUA
"(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,62383,17156,QUA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62384,17156,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62384,17156,DHA
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62385,17156,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,62385,17156,BB9
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,62386,17156,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62386,17156,DBU
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62387,17156,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,62387,17156,DCY
"(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,62388,17156,TS9
"(2S,3S,4R)-2-azanyl-3,4-dihydroxy-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62388,17156,TS9
(2E)-3-hydroxy-2-iminopropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,62389,17156,MH6
3-hydroxy-2-imino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,62389,17156,MH6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,62390,17156,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62390,17156,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,62409,17157,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62409,17157,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,62428,17158,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62428,17158,ZN
2-[(4Z)-2-[(1R)-1-azanyl-2-sulfanyl-ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,62506,17162,GYC
"[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,62506,17162,GYC
2-[(4Z)-2-[(1R)-1-azanyl-2-sulfanyl-ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,62522,17163,GYC
"[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,62522,17163,GYC
"1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",SYSTEMATIC NAME,ACDLabs,10.04,62870,17180,TEP
"1,3-dimethyl-7H-purine-2,6-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62870,17180,TEP
"(2R,3R,4S,5S)-oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62906,17182,ARA
alpha-L-arabinopyranose,SYSTEMATIC NAME,ACDLabs,10.04,62906,17182,ARA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,62922,17183,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62922,17183,MG
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62923,17183,GNP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,62923,17183,GNP
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62938,17184,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,62938,17184,LAT
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62956,17185,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,62956,17185,DPN
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,62973,17186,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,62973,17186,CU
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,63049,1719,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63050,1719,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,63050,1719,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,63247,1720,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63248,1720,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,63248,1720,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63263,17200,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,63263,17200,M3L
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63432,17208,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,63432,17208,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,63433,17208,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63433,17208,MG
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,63434,17208,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63434,17208,PO4
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63478,17210,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,63478,17210,ATP
"[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63479,17210,AGS
5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine,SYSTEMATIC NAME,ACDLabs,10.04,63479,17210,AGS
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,63480,17210,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63480,17210,MG
"1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63602,17217,5AT
5'-amino-5'-deoxythymidine,SYSTEMATIC NAME,ACDLabs,10.04,63602,17217,5AT
butanedioic acid,SYSTEMATIC NAME,ACDLabs,12.01,63619,17218,SIN
butanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,63619,17218,SIN
4-nitroaniline,SYSTEMATIC NAME,ACDLabs,12.01,63620,17218,NIT
4-nitroaniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,63620,17218,NIT
"(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63636,17219,RNS
6-deoxy-L-mannose,SYSTEMATIC NAME,ACDLabs,10.04,63636,17219,RNS
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63664,17220,GCH
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,63664,17220,GCH
(2S)-2-amino-3-(3-fluoro-4-hydroxy-phenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63693,17222,YOF
3-fluoro-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,63693,17222,YOF
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,63767,17226,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63767,17226,FE
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,63768,17226,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63768,17226,CYN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,63822,17228,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63822,17228,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,63841,17229,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63841,17229,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,63886,17232,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63886,17232,ZN
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,63965,17236,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,63965,17236,FE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,63966,17236,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,64117,17243,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64117,17243,CA
quinoxaline-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66676,17379,QUI
"2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64118,17243,EGC
"26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol",SYSTEMATIC NAME,ACDLabs,10.04,64118,17243,EGC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,64135,17244,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64135,17244,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,64220,17249,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64220,17249,CA
(2R)-3-(acetamidomethylsulfanyl)-2-amino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64283,17252,CY1
S-[(acetylamino)methyl]-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,64283,17252,CY1
calcium,SYSTEMATIC NAME,ACDLabs,10.04,64464,17262,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64464,17262,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,64540,17265,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64540,17265,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64641,17270,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,64641,17270,ALY
4-amino-3H-pyrimidin-2-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64703,17273,CYT
6-aminopyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,64703,17273,CYT
zinc,SYSTEMATIC NAME,ACDLabs,10.04,64961,17285,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,64961,17285,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,65032,17289,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65032,17289,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,65129,17293,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65129,17293,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,65150,17294,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65150,17294,CD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,65170,17295,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65170,17295,ZN
(2S)-2-methylaminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65390,17307,MK8
N-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,65390,17307,MK8
"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium",SYSTEMATIC NAME,ACDLabs,10.04,65454,17310,TRR
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65454,17310,TRR
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65478,17311,NDP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,65559,17315,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65559,17315,ZN
"(2S)-2-amino-6-[[(2E,4Z,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]hexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65770,17327,LYR
"N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,65770,17327,LYR
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,65793,17328,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65793,17328,MG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,65813,17329,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65813,17329,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,65901,17334,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65901,17334,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,65916,17338,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,65916,17338,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,65955,1734,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66018,17344,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,66018,17344,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66019,17344,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66019,17344,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,66159,17353,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66159,17353,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,66177,17354,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66177,17354,CA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66298,1736,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,66298,1736,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,66299,1736,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,66315,17360,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66315,17360,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66421,17365,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66421,17365,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,66472,17369,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66472,17369,ACE
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66473,17369,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,66473,17369,PTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,66474,17369,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66474,17369,NH2
(2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-yl)amino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66655,17378,MCL
N~6~-[(1R)-1-carboxyethyl]-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,66655,17378,MCL
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide,SYSTEMATIC NAME,ACDLabs,10.04,66656,17378,CEL
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66656,17378,CEL
quinoxaline-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,66676,17379,QUI
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66677,17379,K
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66694,17380,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66694,17380,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66744,17383,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66744,17383,ZN
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66765,17384,STI
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide,SYSTEMATIC NAME,ACDLabs,10.04,66765,17384,STI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66795,17385,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66795,17385,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66813,17386,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66813,17386,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,66831,17387,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,66831,17387,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,66910,1739,HEC
"5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid",SYSTEMATIC NAME,ACDLabs,12.01,66978,17392,J28
"5-[(E)-(2-azanyl-4-hydroxy-5-methyl-phenyl)diazenyl]-2,4-dimethyl-benzenesulfonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,66978,17392,J28
4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,ACDLabs,12.01,67006,17393,L85
4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,67006,17393,L85
(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67052,17395,TYS
O-sulfo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,67052,17395,TYS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,67070,17396,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67070,17396,ZN
amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,67301,17408,ARG
[amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67301,17408,ARG
4-methoxynaphthalen-2-amine,SYSTEMATIC NAME,ACDLabs,12.01,67302,17408,L8H
4-methoxynaphthalen-2-amine,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,67302,17408,L8H
"(2R,3S,4R,5R)-2-(1-hydroxyethyl)-5-(6-methylpurin-9-yl)oxolane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67322,17409,TAL
9-(6-deoxy-alpha-L-talofuranosyl)-6-methyl-9H-purine,SYSTEMATIC NAME,ACDLabs,10.04,67322,17409,TAL
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67403,17413,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,67403,17413,TRP
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,67436,17415,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,67436,17415,HEM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,67437,17415,CAM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67437,17415,CAM
"N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",SYSTEMATIC NAME,ACDLabs,10.04,67457,17416,C90
"N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxo-butan-2-yl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67457,17416,C90
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,67548,17421,APR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67548,17421,APR
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid,SYSTEMATIC NAME,ACDLabs,12.01,67569,17422,L8P
[(2S)-1-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,67569,17422,L8P
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,67778,17432,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67778,17432,MYR
3-[azanyl-[4-[(Z)-azanyl-[3-(dimethylazaniumyl)propylazaniumylidene]methyl]phenyl]methylidene]azaniumylpropyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,67836,17436,L94
"N~1~,N~1~'-{benzene-1,4-diylbis[(Z)-aminomethylylidene]}bis(N~3~,N~3~-dimethylpropane-1,3-diaminium)",SYSTEMATIC NAME,ACDLabs,12.01,67836,17436,L94
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",SYSTEMATIC NAME,ACDLabs,10.04,67935,17440,STL
"5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67935,17440,STL
calcium,SYSTEMATIC NAME,ACDLabs,10.04,67936,17440,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,67936,17440,CA
"5-(2-methoxy-2-oxoethyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",SYSTEMATIC NAME,ACDLabs,10.04,68099,17449,70U
"methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68099,17449,70U
"(2S,3R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-methylsulfanyl-purin-6-yl]carbamoylamino]-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68100,17449,12A
"(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2-(methylsulfanyl)-9H-purin-6-yl]carbamoyl}amino)-3-hydroxybutanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,68100,17449,12A
zinc,SYSTEMATIC NAME,ACDLabs,10.04,68245,17456,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68245,17456,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,68265,17457,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,68265,17457,HEM
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,68281,17458,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68281,17458,ACE
"(1R,2R,3S,4R,5S,6S)-3,4,6-trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen (phosphate)]",SYSTEMATIC NAME,ACDLabs,10.04,68297,17459,IBS
"(3-hydroxy-2-oxo-propyl) [(2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68297,17459,IBS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,68352,17462,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68352,17462,CA
"naphthalene-1,3,6-trisulfonate",SYSTEMATIC NAME,ACDLabs,10.04,68391,17464,NTS
"naphthalene-1,3,6-trisulfonate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68391,17464,NTS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,68420,17466,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68420,17466,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68489,17470,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,68489,17470,HYP
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68879,17492,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,68879,17492,DTH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,68920,17494,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68920,17494,ZN
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,68939,17495,DTY
D-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,68939,17495,DTY
"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",SYSTEMATIC NAME,ACDLabs,11.02,68957,17496,C2E
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,69031,17500,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69031,17500,NH2
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69238,1751,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,69238,1751,AYA
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,69253,17510,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69253,17510,PO4
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,69369,17517,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69369,17517,PSU
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69566,17527,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,69566,17527,FUC
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69600,17529,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,69600,17529,SEP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,69667,17532,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69667,17532,CA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69685,17533,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,69685,17533,HYP
"[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,69729,17535,BGR
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69808,17539,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,69808,17539,TPO
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69809,17539,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,69809,17539,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69850,17541,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,69850,17541,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69871,17542,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,69871,17542,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69912,17544,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,69912,17544,TPO
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69933,17545,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,69933,17545,TPO
"3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,69953,17546,CYC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,69953,17546,CYC
"2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70020,17551,CHO
"N-[(3alpha,5beta,7beta,8alpha)-3,7-dihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,70020,17551,CHO
dodecyl 2-(trimethylazaniumyl)ethyl phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,70148,17558,DPV
"(2E,4R)-4-hydroxynon-2-enal",SYSTEMATIC NAME,ACDLabs,10.04,70241,17562,HNE
(4R)-4-hydroxynon-2-enal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70241,17562,HNE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,70358,17569,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70358,17569,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70359,17569,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,70359,17569,M3L
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-methylbutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70428,17572,6IA
N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,70428,17572,6IA
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-methylbutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70447,17573,6IA
N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,70447,17573,6IA
(1S)-4-carbamimidamido-1-carboxybutan-1-aminium,SYSTEMATIC NAME,ACDLabs,10.04,72245,17669,GND
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,70448,17573,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70448,17573,PSU
"N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxyphenyl)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxy-benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70528,17577,EB4
"N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)",SYSTEMATIC NAME,ACDLabs,10.04,70528,17577,EB4
gallium,SYSTEMATIC NAME,ACDLabs,10.04,70529,17577,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70529,17577,GA
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",SYSTEMATIC NAME,ACDLabs,10.04,70530,17577,ACD
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70530,17577,ACD
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70605,17581,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,70605,17581,PCA
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70644,17583,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,70644,17583,DSG
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70645,17583,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,70645,17583,DTH
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70646,17583,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,70646,17583,DSN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,70857,17595,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,70857,17595,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,71010,17602,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71010,17602,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,71126,17609,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71126,17609,ZN
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,71162,17610,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71162,17610,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,71163,17610,3
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71163,17610,3
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,71344,17618,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71344,17618,ACE
2-aminoethanol,SYSTEMATIC NAME,ACDLabs,12.01,71345,17618,ETA
2-azanylethanol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,71345,17618,ETA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,71369,17619,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71369,17619,ACE
2-aminoethanol,SYSTEMATIC NAME,ACDLabs,12.01,71370,17619,ETA
2-azanylethanol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,71370,17619,ETA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,71418,17621,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71418,17621,CA
"(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-2,3,4-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71472,17625,MAB
4-O-beta-D-mannopyranosyl-beta-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,71472,17625,MAB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,71577,17630,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71577,17630,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,71593,17631,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71593,17631,ZN
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71610,17632,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,71610,17632,PTR
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,71744,17640,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71744,17640,FMN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,71792,17643,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71792,17643,FMN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,71947,17652,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,71947,17652,MG
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,72034,17657,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72034,17657,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,72035,17657,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72035,17657,NH2
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,72036,17657,MK8
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,72036,17657,MK8
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,72055,17658,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72055,17658,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,72056,17658,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72056,17658,NH2
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,72057,17658,MK8
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,72057,17658,MK8
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,72076,17659,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72076,17659,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,72077,17659,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72077,17659,NH2
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,72078,17659,MK8
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,72078,17659,MK8
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72111,17660,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,72111,17660,ADP
[(2S)-5-carbamimidamido-1-hydroxy-1-oxo-pentan-2-yl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72245,17669,GND
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72306,17671,5GP
5'-guanylic acid,SYSTEMATIC NAME,ACDLabs,10.04,72306,17671,5GP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,72325,17672,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72325,17672,ZN
(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72341,17673,M2L
S-[2-(dimethylamino)ethyl]-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,72341,17673,M2L
[2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone,SYSTEMATIC NAME,ACDLabs,12.01,72362,17674,SSR
[2-[(3-fluoro-2-methyl-phenyl)methyl]-5-hydroxy-4-methyl-1-phenyl-indol-3-yl]-piperazin-1-yl-methanone,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,72362,17674,SSR
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,72402,17678,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72402,17678,MG
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72403,17678,GNP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,72403,17678,GNP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,72419,17679,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72419,17679,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,72436,17680,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72436,17680,ZN
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72437,17680,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,72437,17680,PTR
2'-deoxy-5'-inosinic acid,SYSTEMATIC NAME,ACDLabs,10.04,72739,17697,DI
"[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,72739,17697,DI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,73041,17710,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73041,17710,ZN
"2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]cyclohexa-2,5-diene-1,4-dione",SYSTEMATIC NAME,ACDLabs,10.04,73042,17710,UQ8
"2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73042,17710,UQ8
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,73149,17716,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73149,17716,CU1
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,73150,17716,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73150,17716,CU
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73151,17716,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,73151,17716,HOH
calcium,SYSTEMATIC NAME,ACDLabs,10.04,73198,17718,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73198,17718,CA
"[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73199,17718,THP
"thymidine 3',5'-bis(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,10.04,73199,17718,THP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,73274,17722,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73274,17722,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,73455,17732,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73455,17732,ZN
"(6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,73782,17746,2LF
zinc,SYSTEMATIC NAME,ACDLabs,10.04,73843,17749,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73843,17749,ZN
7-(pyridin-2-ylmethyl)quinolin-8-ol,SYSTEMATIC NAME,ACDLabs,11.02,73844,17749,ZIN
7-(pyridin-2-ylmethyl)quinolin-8-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,73844,17749,ZIN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73866,1775,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,73866,1775,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,73867,1775,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,73907,17751,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,73907,17751,ZN
7-(pyridin-2-ylmethyl)quinolin-8-ol,SYSTEMATIC NAME,ACDLabs,11.02,73908,17751,ZIN
7-(pyridin-2-ylmethyl)quinolin-8-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,73908,17751,ZIN
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74043,17757,SMC
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,74043,17757,SMC
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74078,17759,SMC
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,74078,17759,SMC
"2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74213,17767,CHO
"N-[(3alpha,5beta,7beta,8alpha)-3,7-dihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,74213,17767,CHO
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74214,17767,GCH
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,74214,17767,GCH
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74270,1777,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,74270,1777,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,74271,1777,HEC
"(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,74286,17770,3EV
"(1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol",SYSTEMATIC NAME,ACDLabs,11.02,74286,17770,3EV
calcium,SYSTEMATIC NAME,ACDLabs,10.04,74308,17771,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74308,17771,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,74326,17772,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74326,17772,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,74554,17785,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74554,17785,MG
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74555,17785,GNP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,74555,17785,GNP
propane,SYSTEMATIC NAME,ACDLabs,10.04,74602,17788,TME
propane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74602,17788,TME
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74632,1779,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,74632,1779,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,74633,1779,HEC
"(2E,4R)-4-hydroxynon-2-enal",SYSTEMATIC NAME,ACDLabs,10.04,74649,17790,HNE
(4R)-4-hydroxynon-2-enal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74649,17790,HNE
"(2E,4R)-4-hydroxynon-2-enal",SYSTEMATIC NAME,ACDLabs,10.04,74667,17791,HNE
(4R)-4-hydroxynon-2-enal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74667,17791,HNE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,74878,17806,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74878,17806,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,74899,17807,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74899,17807,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,74928,17808,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74928,17808,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,74995,1781,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,74995,1781,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,74996,1781,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75052,17812,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,75052,17812,M3L
zinc,SYSTEMATIC NAME,ACDLabs,10.04,75053,17812,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75053,17812,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,75072,17813,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75072,17813,ZN
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,75143,17817,RET
retinal,SYSTEMATIC NAME,ACDLabs,12.01,75143,17817,RET
zinc,SYSTEMATIC NAME,ACDLabs,10.04,75268,17824,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75268,17824,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75389,1783,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,75389,1783,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75390,1783,HEC
(2S)-2-amino-6-[[(2R)-1-[[(2S)-1-hydroxy-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75469,17834,VB1
N~6~-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,75469,17834,VB1
"(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]",SYSTEMATIC NAME,ACDLabs,10.04,75543,17838,IHP
"(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75543,17838,IHP
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75674,17845,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75695,17846,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75716,17847,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75737,17848,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,75758,17849,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75758,17849,CA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75778,1785,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,75778,1785,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,75779,1785,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,75794,17850,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75794,17850,CA
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,75818,17851,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75818,17851,BEF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,75819,17851,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75819,17851,MG
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,75840,17852,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75840,17852,BEF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,75841,17852,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75841,17852,MG
"[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75842,17852,BG6
6-O-phosphono-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,75842,17852,BG6
zinc,SYSTEMATIC NAME,ACDLabs,10.04,75938,17858,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,75938,17858,ZN
2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione,SYSTEMATIC NAME,ACDLabs,12.01,75958,17859,LHO
"[(2R,3S,5R)-5-(6-methyl-1-sulfanylidene-isoquinolin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,75958,17859,LHO
"(1R)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-O-phosphono-D-erythro-pentitol",SYSTEMATIC NAME,ACDLabs,12.01,75959,17859,MM7
"[(2R,3S,5R)-5-(2-methoxy-4-methyl-phenyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,75959,17859,MM7
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76136,17868,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76136,17868,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76137,17868,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76137,17868,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76156,17869,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76156,17869,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76157,17869,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76157,17869,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76158,17869,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76158,17869,A2G
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76176,1787,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,76176,1787,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,76177,1787,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76192,17870,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76192,17870,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76193,17870,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76193,17870,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76194,17870,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76194,17870,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76213,17871,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76213,17871,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76214,17871,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76214,17871,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76215,17871,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76215,17871,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76234,17872,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76234,17872,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76235,17872,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76235,17872,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76236,17872,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76236,17872,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76255,17873,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76255,17873,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76256,17873,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76256,17873,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76257,17873,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76257,17873,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76276,17874,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76276,17874,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76277,17874,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76277,17874,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76278,17874,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76278,17874,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76297,17875,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76297,17875,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76298,17875,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76298,17875,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76299,17875,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,76299,17875,A2G
2-(cyclohexylamino)ethanesulfonic acid,SYSTEMATIC NAME,ACDLabs,10.04,76430,17882,NHE
2-(cyclohexylamino)ethanesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76430,17882,NHE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,76447,17883,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76447,17883,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,76474,17884,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76474,17884,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,76475,17884,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76475,17884,ACE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,76476,17884,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76476,17884,ZN
"2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",SYSTEMATIC NAME,ACDLabs,12.01,76499,17885,2LA
"[(2R,3S,5R)-5-[5-(aminomethyl)-2-azanyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,76499,17885,2LA
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76517,17886,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,76517,17886,PNS
2'-deoxy-5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,10.04,76533,17887,A3A
"[(2R,3S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76533,17887,A3A
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76555,17888,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,76555,17888,SEP
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76585,1789,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,76585,1789,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,76586,1789,HEC
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,76829,17902,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,76829,17902,NAG
"N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76830,17902,MAG
methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,76830,17902,MAG
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76831,17902,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,76831,17902,FUC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,76858,17903,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,76877,17904,HEC
"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(dihydroxyphosphinothioyloxymethyl)oxolane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76933,17907,SRA
5'-O-thiophosphonoadenosine,SYSTEMATIC NAME,ACDLabs,10.04,76933,17907,SRA
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76934,17907,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,76934,17907,PNS
3-hydroxy-3-methyl-pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76935,17907,MAH
3-hydroxy-3-methylpentanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,76935,17907,MAH
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,76987,1791,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,76988,1791,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,76988,1791,M3L
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,77067,17914,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,77067,17914,ANI
"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,77085,17915,LL5
"(2S)-2-azanyl-3-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,77085,17915,LL5
zinc,SYSTEMATIC NAME,ACDLabs,10.04,77244,17925,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77244,17925,ZN
(1R)-1-(1-adamantyl)ethanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77329,17929,RIM
"(1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine",SYSTEMATIC NAME,ACDLabs,10.04,77329,17929,RIM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,77352,1793,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77353,1793,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,77353,1793,M3L
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77367,17930,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,77367,17930,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77385,17931,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,77385,17931,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77404,17932,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,77404,17932,PTR
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77563,17942,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,77563,17942,PCA
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77636,17946,NAP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77637,17946,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,77637,17946,FOL
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,77713,1795,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77714,1795,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,77714,1795,M3L
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,77794,17956,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,77794,17956,PCA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78008,17967,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78008,17967,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78031,17968,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78031,17968,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78053,17969,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78053,17969,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,78054,17969,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78054,17969,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,78055,17969,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78055,17969,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,78073,1797,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78074,1797,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,78074,1797,M3L
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,78090,17970,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78090,17970,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,78091,17970,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78091,17970,NH2
"9,10-bis(oxidanylidene)anthracene-2-sulfonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,78092,17970,AQN
"9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid",SYSTEMATIC NAME,ACDLabs,12.01,78092,17970,AQN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78093,17970,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78093,17970,ZN
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78192,17973,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,78192,17973,DAS
(2S)-2-[2-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,78229,17975,240
(2S)-2-[2-[[1-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78229,17975,240
(2S)-2-[3-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,78248,17976,241
(2S)-2-[3-[[1-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78248,17976,241
(2S)-2-[2-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,78267,17977,240
(2S)-2-[2-[[1-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78267,17977,240
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78305,17979,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78305,17979,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,78368,17982,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78368,17982,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,78388,17983,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78388,17983,CA
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,78586,17995,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78586,17995,PNS
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,78628,17997,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78628,17997,CD
"(2S,3R)-2-acetamido-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78679,18,THC
N-acetyl-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,78679,18,THC
"(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]",SYSTEMATIC NAME,ACDLabs,10.04,78758,18002,4IP
"[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxy-cyclohexyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78758,18002,4IP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,78801,18004,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78801,18004,ZN
"(2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78825,18005,2MR
"N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine",SYSTEMATIC NAME,ACDLabs,10.04,78825,18005,2MR
"(2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78846,18006,2MR
"N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine",SYSTEMATIC NAME,ACDLabs,10.04,78846,18006,2MR
"(2S)-2-amino-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78867,18007,DA2
"N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine",SYSTEMATIC NAME,ACDLabs,10.04,78867,18007,DA2
"(2S)-2-amino-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,78888,18008,DA2
"N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine",SYSTEMATIC NAME,ACDLabs,10.04,78888,18008,DA2
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,79157,18021,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79157,18021,MG
"(1R,4R,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79204,18024,CMP
"(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",SYSTEMATIC NAME,ACDLabs,10.04,79204,18024,CMP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,79235,18026,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79235,18026,CA
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,79287,18029,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79287,18029,FAD
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79318,18031,AP5
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79339,18032,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,79339,18032,PNS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,79664,18049,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79664,18049,ZN
"6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,79682,18050,LLJ
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,79723,18052,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,79723,18052,PCA
"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80139,18079,GMP
guanosine,SYSTEMATIC NAME,ACDLabs,10.04,80139,18079,GMP
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80156,1808,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,80156,1808,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,80216,18082,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80216,18082,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,80250,18084,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80250,18084,CA
(2R)-2-amino-3-nitrososulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80335,18088,SNC
S-nitroso-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,80335,18088,SNC
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,80465,18094,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,80465,18094,ANI
calcium,SYSTEMATIC NAME,ACDLabs,10.04,80582,18099,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80582,18099,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,80621,18101,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80621,18101,CA
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80657,18103,GSP
5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,80657,18103,GSP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,80658,18103,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80658,18103,MG
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80698,18105,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,80698,18105,SEP
"4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)",SYSTEMATIC NAME,ACDLabs,10.04,80721,18106,3C3
"4-[5-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-2-propyl-1,2,4-triazol-3-yl]-2,5-dihydro-1,2,5-oxadiazol-3-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80721,18106,3C3
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,80722,18106,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,80722,18106,SEP
(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,81022,18122,HC4
(E)-3-(4-hydroxyphenyl)prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81022,18122,HC4
"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81072,18125,BTN
"5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,81072,18125,BTN
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,81243,18135,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,81243,18135,A2G
zinc,SYSTEMATIC NAME,ACDLabs,10.04,81329,18142,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81329,18142,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,81387,18146,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81387,18146,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,81637,18159,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81637,18159,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,81668,18160,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81668,18160,ACE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,81833,18169,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,81833,18169,CA
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,81868,18170,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,81868,18170,ANI
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82046,18182,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,82046,18182,PTR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,82226,18191,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82226,18191,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,82252,18192,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82252,18192,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,82324,18195,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82324,18195,ZN
"S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ethanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82468,18202,ACO
"S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} ethanethioate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,82468,18202,ACO
(2S)-2-amino-4-(methylselanyl)butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,82469,18202,MSE
(2S)-2-amino-4-methylselanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,82469,18202,MSE
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,82612,18210,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,82612,18210,ANI
calcium,SYSTEMATIC NAME,ACDLabs,10.04,83085,18230,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83085,18230,CA
(2S)-2-amino-4-sulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83086,18230,HCS
L-homocysteine,SYSTEMATIC NAME,ACDLabs,10.04,83086,18230,HCS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,83119,18231,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83119,18231,CA
4-methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83204,18236,D1R
Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,83204,18236,D1R
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,83239,18238,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83239,18238,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,83240,18238,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83240,18238,NH2
2-(2-chloranylethanoylamino)-5-[(E)-[4-(2-chloranylethanoylamino)-3-sulfo-phenyl]diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,83241,18238,33B
"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",SYSTEMATIC NAME,ACDLabs,12.01,83241,18238,33B
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,83443,18251,GCP
"[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83443,18251,GCP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,83468,18252,GCP
"[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methylphosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83468,18252,GCP
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,83885,18282,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,83885,18282,MYR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,84127,18296,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84127,18296,ZN
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84213,18300,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,84213,18300,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,84249,18302,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84249,18302,CA
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,84306,18305,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,84306,18305,NAG
nickel(2+),SYSTEMATIC NAME,ACDLabs,10.04,84676,18326,NI
nickel(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84676,18326,NI
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84805,18333,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,84805,18333,PTR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,84843,18335,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84843,18335,ACE
2-[[4-(diaminomethylidenehydrazinylidene)cyclohexylidene]amino]guanidine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,84844,18335,NHH
"N'',N'''''-cyclohexane-1,4-diylidenedicarbonohydrazonic diamide",SYSTEMATIC NAME,ACDLabs,10.04,84844,18335,NHH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,85597,18374,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,85597,18374,ZN
(2S)-2-(hexadecanoylamino)pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,85665,18378,D6M
N-hexadecanoyl-L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,85665,18378,D6M
"methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylate",SYSTEMATIC NAME,ACDLabs,10.04,85687,18379,PHO
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,85688,18379,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,85688,18379,ANI
calcium,SYSTEMATIC NAME,ACDLabs,10.04,85813,18388,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,85813,18388,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,85835,18389,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,85835,18389,CA
2'-deoxy-5'-guanylic acid,SYSTEMATIC NAME,ACDLabs,12.01,85893,18391,DGP
"[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,85893,18391,DGP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,86274,18414,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86274,18414,ZN
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,86422,18422,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86422,18422,CMO
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,86450,18423,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86450,18423,CYN
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,86477,18424,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86477,18424,CYN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,86478,18424,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,86478,18424,HEM
calcium,SYSTEMATIC NAME,ACDLabs,10.04,86500,18425,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86500,18425,CA
"[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86535,18427,CFL
4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,86535,18427,CFL
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,86536,18427,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86536,18427,GFL
"[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,86537,18427,A5O
9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine,SYSTEMATIC NAME,ACDLabs,11.02,86537,18427,A5O
"1-(5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione",SYSTEMATIC NAME,ACDLabs,10.04,86538,18427,UAR
"[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86538,18427,UAR
"(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,86614,18430,02I
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,86784,18439,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,86784,18439,ALY
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,87132,18461,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87132,18461,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,87133,18461,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87133,18461,MG
water,SYSTEMATIC NAME,ACDLabs,10.04,87134,18461,HOH
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87134,18461,HOH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,87158,18462,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87158,18462,ZN
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87375,18470,CU1
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,87375,18470,CU1
"(5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3R)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid",SYSTEMATIC NAME,ACDLabs,10.04,87419,18473,U46
"(Z)-7-[(1S,4R,5R,6S)-5-[(E,3R)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87419,18473,U46
"(2S)-2-amino-5-[(N,N-dimethylcarbamimidoyl)amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87703,18490,DA2
"N~5~-(N,N-dimethylcarbamimidoyl)-L-ornithine",SYSTEMATIC NAME,ACDLabs,10.04,87703,18490,DA2
"2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione",SYSTEMATIC NAME,ACDLabs,10.04,87761,18493,UQ1
"2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,87761,18493,UQ1
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,88101,18509,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88101,18509,CU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,88184,18514,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88184,18514,ZN
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88261,18518,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,88261,18518,SEP
dodecyl 2-(trimethylazaniumyl)ethyl phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,88303,18520,DPV
2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,88388,18524,IGU
"[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,88388,18524,IGU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,88410,18526,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88410,18526,ZN
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88472,18529,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,88472,18529,GDP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,88623,18537,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88623,18537,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,88638,18538,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88638,18538,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,88775,18545,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88775,18545,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,88808,18546,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88808,18546,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,88925,18551,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,88925,18551,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,89018,18556,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89018,18556,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,89040,18557,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89040,18557,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,89094,18559,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89094,18559,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,89331,18570,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89331,18570,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,89374,18572,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89374,18572,MG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,89394,18573,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89394,18573,CA
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89491,18579,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,89491,18579,MLY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,89639,18586,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89639,18586,ZN
(2S)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89745,18591,VAL
L-valine,SYSTEMATIC NAME,ACDLabs,10.04,89745,18591,VAL
"2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,12.01,89789,18593,UPV
"[(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl]oxymethyl 2,2-dimethylpropanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,89789,18593,UPV
"[(2S,3R,4R,5S,6R)-4,5-bis(oxidanyl)-2-propan-2-yloxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,89828,18596,LVZ
propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,12.01,89828,18596,LVZ
2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,89829,18596,SGN
"[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89829,18596,SGN
2-O-sulfo-alpha-L-idopyranuronic acid,SYSTEMATIC NAME,ACDLabs,10.04,89830,18596,IDS
"(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-sulfooxy-oxane-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,89830,18596,IDS
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90018,18603,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,90018,18603,BGC
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90144,18609,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,90144,18609,BGC
N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-(2-carbamimidamidoethanoylamino)-1-methyl-pyrrole-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90455,18626,NT
N-(5-{[(3Z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-pyrrole-2-carboxamide,SYSTEMATIC NAME,ACDLabs,10.04,90455,18626,NT
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,90527,18629,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90527,18629,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,90528,18629,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90528,18629,MG
"1-[(2,4-dinitrophenyl)amino]-3-(4-fluorophenyl)thiourea",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90529,18629,KOB
"2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide",SYSTEMATIC NAME,ACDLabs,12.01,90529,18629,KOB
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90530,18629,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,90530,18629,HOH
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,90583,18632,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90583,18632,OLA
"6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine",SYSTEMATIC NAME,ACDLabs,12.01,90620,18633,0EC
"6,7-dimethoxy-2-piperazin-1-yl-quinazolin-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90620,18633,0EC
"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,90722,18638,LWM
"[(1R,2S,4R)-4-[(2-azanyl-5-formamido-6-oxidanylidene-1H-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90722,18638,LWM
"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,90743,18639,LWM
"[(1R,2S,4R)-4-[(2-azanyl-5-formamido-6-oxidanylidene-1H-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90743,18639,LWM
"[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,90764,18640,LWM
"[(1R,2S,4R)-4-[(2-azanyl-5-formamido-6-oxidanylidene-1H-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,90764,18640,LWM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,90803,18642,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90803,18642,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,90941,18650,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,90941,18650,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,91122,1866,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,91198,18664,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91198,18664,ZN
2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine,SYSTEMATIC NAME,ACDLabs,10.04,91236,18666,DUP
"[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-N-(hydroxy-phosphonooxy-phosphoryl)phosphonamidic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91236,18666,DUP
7-methylguanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,91256,18667,M7G
"[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91256,18667,M7G
zinc,SYSTEMATIC NAME,ACDLabs,10.04,91442,18677,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91442,18677,ZN
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91570,18685,AP5
zinc,SYSTEMATIC NAME,ACDLabs,10.04,91622,18688,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91622,18688,ZN
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91753,18695,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,91753,18695,SEP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,91877,18700,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,91877,18700,ZN
2-sulfanylphenol,SYSTEMATIC NAME,ACDLabs,12.01,91943,18703,HTS
2-sulfanylphenol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,91943,18703,HTS
"1-adamantyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,91998,18706,A2Y
"(3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium",SYSTEMATIC NAME,ACDLabs,12.01,91998,18706,A2Y
cobalt(2+),SYSTEMATIC NAME,ACDLabs,10.04,92041,18708,CO
cobalt(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92041,18708,CO
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,92042,18708,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92042,18708,CU
"2-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92197,18715,PC8
(2R)-2-amino-2-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95038,18861,DIV
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-7-(octanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptadecan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,92197,18715,PC8
"(2S)-2-azanyl-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,92217,18716,8SP
"O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,92217,18716,8SP
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92383,18724,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,92383,18724,FUC
"ethane-1,2-diol",SYSTEMATIC NAME,ACDLabs,10.04,92384,18724,EDO
"ethane-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92384,18724,EDO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,92622,18736,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92622,18736,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,92756,18749,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92756,18749,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,92788,18750,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92788,18750,ZN
"2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxidanylidene-1-[(2S,3S)-2-oxidanylpentan-3-yl]piperidin-3-yl]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,92843,18755,0R3
"{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,92843,18755,0R3
3-(aminomethyl)aniline,SYSTEMATIC NAME,ACDLabs,10.04,92992,18762,DBP
3-(aminomethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,92992,18762,DBP
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93027,18764,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,93027,18764,M3L
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93141,18770,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,93141,18770,FME
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93161,18771,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,93161,18771,FME
"3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxo-pyrimidine-4-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93241,18775,OMP
6-carboxyuridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,93241,18775,OMP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,93301,18778,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93301,18778,ZN
heptane,SYSTEMATIC NAME,ACDLabs,10.04,93355,18780,HP6
heptane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93355,18780,HP6
heptane,SYSTEMATIC NAME,ACDLabs,10.04,93378,18781,HP6
heptane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93378,18781,HP6
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93417,18783,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,93417,18783,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93433,18784,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,93433,18784,PCA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,93482,18787,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,93482,18787,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,93832,18806,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93832,18806,ZN
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,93963,18813,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,93963,18813,M3L
calcium,SYSTEMATIC NAME,ACDLabs,10.04,94015,18816,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,94015,18816,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,94261,18828,HEC
2-(2-chloranylethanoylamino)-5-[(E)-[4-(2-chloranylethanoylamino)-3-sulfo-phenyl]diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,94356,18833,33B
"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",SYSTEMATIC NAME,ACDLabs,12.01,94356,18833,33B
2-(2-chloranylethanoylamino)-5-[(E)-[4-(2-chloranylethanoylamino)-3-sulfo-phenyl]diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,94383,18834,33B
"3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}",SYSTEMATIC NAME,ACDLabs,12.01,94383,18834,33B
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one,SYSTEMATIC NAME,ACDLabs,12.01,94409,18835,D3N
"[(2R,3S,5R)-3-oxidanyl-5-(2-oxidanylidene-3H-perimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,94409,18835,D3N
zinc,SYSTEMATIC NAME,ACDLabs,10.04,94528,18840,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,94528,18840,ZN
"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,94639,18844,LL5
"(2S)-2-azanyl-3-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,94639,18844,LL5
calcium,SYSTEMATIC NAME,ACDLabs,10.04,94716,18848,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,94716,18848,CA
(2S)-2-amino-3-hydroxy-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,94750,1885,SET
L-serinamide,SYSTEMATIC NAME,ACDLabs,10.04,94750,1885,SET
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95005,1886,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,95005,1886,CY3
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,95036,18861,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95036,18861,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95037,18861,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,95037,18861,AIB
D-isovaline,SYSTEMATIC NAME,ACDLabs,10.04,95038,18861,DIV
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95039,18861,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,95039,18861,HYP
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95040,18861,PHL
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,95040,18861,PHL
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,95059,18862,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95059,18862,GFL
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95252,1887,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,95252,1887,CY3
,SYSTEMATIC NAME,,,95318,18873,SP8a
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,95319,18873,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,95319,18873,NAG
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,95320,18873,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,95320,18873,GAL
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95321,18873,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,95321,18873,FUC
acetic acid,SYSTEMATIC NAME,ACDLabs,11.02,95322,18873,ACY
ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,95322,18873,ACY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,95340,18874,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95340,18874,ZN
4-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,95361,18875,ABU
4-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,95361,18875,ABU
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,95826,18897,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,95826,18897,A2G
2-(acetylamino)-2-deoxy-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,95827,18897,NDG
"N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95827,18897,NDG
"(2R,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95828,18897,GXL
alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,95828,18897,GXL
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,95829,18897,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,95829,18897,GAL
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95830,18897,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,95830,18897,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,95851,18898,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,95851,18898,ZN
"(2S,3R)-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96118,18911,1RG
"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,96118,18911,1RG
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,96156,18913,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96156,18913,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,96176,18914,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96176,18914,ABA
dodecyl 2-(trimethylazaniumyl)ethyl phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,96458,18929,DPV
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96474,1893,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,96474,1893,PCA
dodecyl 2-(trimethylazaniumyl)ethyl phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,96489,18930,DPV
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,96505,18931,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96505,18931,ABA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,96544,18934,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96544,18934,MG
2'-deoxyguanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,96545,18934,DGT
"[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96545,18934,DGT
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,96567,18935,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96567,18935,MG
2'-deoxyguanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,96568,18935,DGT
"[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96568,18935,DGT
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,96587,18937,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96587,18937,ABA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,96680,18942,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96680,18942,MG
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,96681,18942,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96681,18942,ACE
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96682,18942,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,96682,18942,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,96683,18942,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96683,18942,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,96701,18943,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96701,18943,ZN
2'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,96835,18950,C5L
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,108314,19580,ACE
"[(2R,3R,4R,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-4-(2-methoxyethoxy)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96835,18950,C5L
2'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,96836,18950,G48
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-(2-methoxyethoxy)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96836,18950,G48
2'-O-(2-methoxyethyl)adenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,96837,18950,A44
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-(2-methoxyethoxy)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96837,18950,A44
2'-O-(2-methoxyethyl)-5-methyluridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,96838,18950,T39
"[(2R,3R,4R,5R)-4-(2-methoxyethoxy)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96838,18950,T39
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96876,18952,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,96876,18952,SEP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,96944,18955,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96944,18955,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,96968,18956,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,96968,18956,ZN
"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,96995,18958,LL5
"(2S)-2-azanyl-3-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,96995,18958,LL5
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,ACDLabs,12.01,96996,18958,ORI
4-[(E)-(4-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,96996,18958,ORI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,97052,18963,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97052,18963,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,97073,18964,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97073,18964,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,97124,18967,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97124,18967,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,97231,18972,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97231,18972,NH2
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,97250,18973,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97250,18973,8OG
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,97251,18973,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97251,18973,ORP
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,97267,18974,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97267,18974,PSU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,97307,18976,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97307,18976,CA
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,97334,18977,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97334,18977,PO4
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,97380,18979,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97380,18979,ORP
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,97381,18979,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97381,18979,8OG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,97398,18980,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97398,18980,ZN
"(3E)-3-{(2Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid",SYSTEMATIC NAME,ACDLabs,12.01,97399,18980,1HF
"(3E)-3-[(Z)-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]hydrazinylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,97399,18980,1HF
"1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol",SYSTEMATIC NAME,ACDLabs,10.04,97416,18981,3DR
"[(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97416,18981,3DR
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,97417,18981,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97417,18981,8OG
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,97456,18984,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97456,18984,ORP
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,97457,18984,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97457,18984,8OG
2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose,SYSTEMATIC NAME,ACDLabs,10.04,97473,18985,ORP
"[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97473,18985,ORP
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,97474,18985,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97474,18985,8OG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,97581,18990,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97581,18990,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97606,18991,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,97606,18991,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97625,18992,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,97625,18992,FES
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,97736,190,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97737,190,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,97737,190,M3L
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,97846,19004,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,97846,19004,HEM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,97847,19004,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97847,19004,CYN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,97866,19005,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,97866,19005,HEM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,97867,19005,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,97867,19005,CYN
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98071,19015,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,98071,19015,GDP
"(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexyl]oxy-4-hydroxy-3-methylamino-2,3,4,4a,6,7,8,8a-octahydropyrano[2,3-e]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98105,19018,AM2
"(2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,98105,19018,AM2
"[(1R,4R,6R,7S)-6-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98320,19035,LCG
"2-amino-9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,98320,19035,LCG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,98346,19036,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98346,19036,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,98347,19036,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98347,19036,ACE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,98348,19036,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98348,19036,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,98386,19038,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,98386,19038,HEM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,98387,19038,CAM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98387,19038,CAM
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98388,19038,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,98388,19038,FES
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98441,19040,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,98441,19040,GTP
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,98540,19045,MK8
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,98540,19045,MK8
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98541,19045,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,98541,19045,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,98542,19045,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98542,19045,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,98583,19047,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98583,19047,ZN
3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide,SYSTEMATIC NAME,ACDLabs,12.01,98614,19048,RTM
3-(2-azanylquinolin-3-yl)-N-cyclohexyl-N-methyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,98614,19048,RTM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,98615,19048,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98615,19048,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,98666,19050,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,98666,19050,CA
"2-[2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99018,19069,CRO
"{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid",SYSTEMATIC NAME,ACDLabs,10.04,99018,19069,CRO
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99038,19070,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,99038,19070,AIB
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,99039,19070,GGL
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,99039,19070,GGL
hexadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,99040,19070,PLM
hexadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99040,19070,PLM
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,99041,19070,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99041,19070,NH2
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99059,19071,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,99059,19071,AIB
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,99060,19071,GGL
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,99060,19071,GGL
hexadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,99061,19071,PLM
hexadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99061,19071,PLM
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,99062,19071,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99062,19071,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,99097,19074,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99097,19074,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,99113,19075,PP9
zinc,SYSTEMATIC NAME,ACDLabs,10.04,99179,19079,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99179,19079,ZN
"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,99180,19079,LL5
"(2S)-2-azanyl-3-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,99180,19079,LL5
"5-benzyl-1,3-thiazol-2-amine",SYSTEMATIC NAME,ACDLabs,10.04,99181,19079,LL2
"5-(phenylmethyl)-1,3-thiazol-2-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99181,19079,LL2
"(2S)-2-[[4-[[(5R,6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99237,19082,C2F
"N-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,99237,19082,C2F
2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,99238,19082,UFP
"[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99238,19082,UFP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99349,19089,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,99349,19089,ADP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99370,19090,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,99370,19090,ADP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,99371,19090,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99371,19090,CA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99389,19091,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,99389,19091,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,99390,19091,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99390,19091,MG
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99407,19092,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,99407,19092,ADP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99425,19093,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,99425,19093,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,99426,19093,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99426,19093,MG
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99442,19094,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,99442,19094,FME
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99517,19101,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,99517,19101,FME
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99532,19102,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,99532,19102,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,99533,19102,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99533,19102,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99548,19103,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,99548,19103,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,99634,19108,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99634,19108,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,99661,19109,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99661,19109,CA
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99720,19112,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,99720,19112,TPO
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,99721,19112,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,99721,19112,SEP
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,100217,19142,CAM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100217,19142,CAM
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,100218,19142,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100218,19142,NH2
"2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,100269,19145,PCG
"2-amino-9-[(4R,6S,7R,8R)-4,7-dihydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1H-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100269,19145,PCG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,100291,19146,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100291,19146,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,100309,19147,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100309,19147,ZN
"3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100358,19150,CYC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,100358,19150,CYC
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,100393,19152,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100393,19152,FMN
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100558,19160,GCH
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,100558,19160,GCH
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100746,1917,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,100746,1917,PCA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,100895,19178,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100895,19178,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,100914,19179,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100914,19179,ZN
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100945,19180,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,100945,19180,AIB
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100946,19180,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,100946,19180,DAL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,100976,19182,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100976,19182,ZN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,100994,19183,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,100994,19183,DAL
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,101080,19188,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101080,19188,OLA
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,101130,19190,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101130,19190,DAB
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,101131,19190,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,101131,19190,ORN
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101132,19190,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,101132,19190,DLY
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,101133,19190,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,101133,19190,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,101167,19192,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,101167,19192,DPR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,101263,19197,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101263,19197,CA
"(4S,4aR,6S)-4,4a-dimethyl-6-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene",SYSTEMATIC NAME,ACDLabs,10.04,101330,19200,ION
"(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101330,19200,ION
zinc,SYSTEMATIC NAME,ACDLabs,10.04,101350,19201,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101350,19201,ZN
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,101369,19202,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101369,19202,CGU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,101370,19202,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101370,19202,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,101437,19206,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101437,19206,CA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101474,19208,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,101474,19208,ADP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,101475,19208,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101475,19208,MG
amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,101476,19208,ARG
[amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101476,19208,ARG
nitrate,SYSTEMATIC NAME,ACDLabs,10.04,101477,19208,NO3
nitrate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101477,19208,NO3
calcium,SYSTEMATIC NAME,ACDLabs,10.04,101495,19209,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101495,19209,CA
"3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,101584,19213,PVN
"3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101605,19214,CYC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,101605,19214,CYC
2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,101831,19226,CFZ
"[(2R,3R,4R,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,101831,19226,CFZ
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,101832,19226,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,101832,19226,GF2
2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,101833,19226,AF2
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,101833,19226,AF2
"1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",SYSTEMATIC NAME,ACDLabs,10.04,101834,19226,TAF
"[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101834,19226,TAF
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108314,19580,ACE
2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,101835,19226,UFT
"[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101835,19226,UFT
"[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101836,19226,CFL
4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,101836,19226,CFL
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,101837,19226,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101837,19226,GFL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,101894,19229,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,101894,19229,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,102046,19236,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102046,19236,ZN
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102062,19237,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,102062,19237,PCA
(2S)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102203,19245,HIS
3-(1H-imidazol-3-ium-4-yl)-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,102203,19245,HIS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,102237,19247,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102237,19247,ZN
"(2S,3S,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,102359,19254,KGM
"(2S,3S,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,102399,19256,KGM
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102709,19273,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,102709,19273,FES
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,102746,19275,DBB
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102746,19275,DBB
calcium,SYSTEMATIC NAME,ACDLabs,10.04,102919,19283,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102919,19283,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,102972,19286,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102972,19286,CA
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,102973,19286,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,102973,19286,BEF
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103009,19288,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103009,19288,ZN
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,103066,19292,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103066,19292,NAG
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,103130,19296,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103130,19296,NAG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,103148,19297,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103148,19297,CA
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,103246,19301,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103246,19301,FMN
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,103247,19301,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103247,19301,FAD
benzoic acid,SYSTEMATIC NAME,ACDLabs,12.01,103321,19305,BEZ
benzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103321,19305,BEZ
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103322,19305,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,103322,19305,NLE
"amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,12.01,103323,19305,M9P
"[azanyl-[[(4S,5S)-4-azanyl-6,6,6-tris(fluoranyl)-5-oxidanyl-hexyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103323,19305,M9P
benzoic acid,SYSTEMATIC NAME,ACDLabs,12.01,103341,19306,BEZ
benzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103341,19306,BEZ
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103342,19306,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,103342,19306,NLE
"amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,12.01,103343,19306,M9P
"[azanyl-[[(4S,5S)-4-azanyl-6,6,6-tris(fluoranyl)-5-oxidanyl-hexyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,103343,19306,M9P
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,103363,19307,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103363,19307,MG
furan-2-sulfonamide,SYSTEMATIC NAME,ACDLabs,12.01,103395,19309,EVG
furan-2-sulfonamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,103395,19309,EVG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103436,19312,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103436,19312,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103495,19315,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103495,19315,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,103549,19319,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103549,19319,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,103603,19322,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103603,19322,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103708,19328,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103708,19328,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103741,19329,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103741,19329,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,103788,19331,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,103788,19331,ZN
"methyl (2S,3S)-2-azanyl-3-methyl-pentanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,104138,19355,ILM
methyl L-isoleucinate,SYSTEMATIC NAME,ACDLabs,12.01,104138,19355,ILM
calcium,SYSTEMATIC NAME,ACDLabs,10.04,104402,19370,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104402,19370,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,104420,19371,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104420,19371,MG
"[(2R,3S,5R)-5-[2-[(2-azanyl-3-methyl-imidazo[4,5-f]quinolin-5-yl)amino]-6-oxidanylidene-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,104474,19375,IQG
"N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,12.01,104474,19375,IQG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,104496,19376,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104496,19376,CA
"2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,11.02,104575,19381,0G
"[(2S,3R,4S,5S)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,104575,19381,0G
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104630,19384,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,104630,19384,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104631,19384,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,104631,19384,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,104632,19384,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104632,19384,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104651,19385,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,104651,19385,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104652,19385,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,104652,19385,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,104653,19385,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104653,19385,NH2
"(12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2.1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dodecaene-10,25-dione",SYSTEMATIC NAME,ACDLabs,12.01,104689,19387,L2H
2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,104780,19391,5HC
"[(2R,3S,5R)-5-[4-azanyl-5-(hydroxymethyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,104780,19391,5HC
"(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one",SYSTEMATIC NAME,ACDLabs,12.01,104857,19395,LL5
"(2S)-2-azanyl-3-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,104857,19395,LL5
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,ACDLabs,12.01,104858,19395,ORI
4-[(E)-(4-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,104858,19395,ORI
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,104983,19402,BGM
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,104983,19402,BGM
"3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine",SYSTEMATIC NAME,ACDLabs,12.01,105190,19414,1YO
"3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,105190,19414,1YO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,105210,19415,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105210,19415,ZN
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,105300,19421,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,105300,19421,BB9
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,105301,19421,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105301,19421,DHA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105302,19421,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105302,19421,NH2
(2Z)-2-amino-3-hydroxybut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,12.01,105303,19421,MOZ
(Z)-2-azanyl-3-oxidanyl-but-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,105303,19421,MOZ
N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide,SYSTEMATIC NAME,ACDLabs,12.01,105304,19421,MH7
N-butyl-2-(butylamino)-N-methyl-4-[(4-oxidanylcyclohexyl)amino]pyrimidine-5-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,105304,19421,MH7
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,105335,19422,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105335,19422,DBU
(2E)-3-hydroxy-2-iminopropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,105336,19422,MH6
3-hydroxy-2-imino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,105336,19422,MH6
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,105337,19422,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105337,19422,DHA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105338,19422,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105338,19422,NH2
"(2S,4S)-2-amino-4-hydroxy-pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,105339,19422,3GL
"(2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,105339,19422,3GL
4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,105340,19422,NO1
4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,105340,19422,NO1
(2Z)-2-amino-3-sulfanylprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,105341,19422,BB9
(Z)-2-amino-3-sulfanyl-prop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,105341,19422,BB9
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105373,19423,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,105373,19423,PTR
"tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)",SYSTEMATIC NAME,ACDLabs,12.01,105567,19435,RUL
"(2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,105609,19437,DPC
"(4S,5R,6R)-5-acetamido-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105609,19437,DPC
"[(2R,3S,5R)-5-[4-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,105684,19441,N4S
N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,105684,19441,N4S
zinc,SYSTEMATIC NAME,ACDLabs,10.04,105706,19442,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105706,19442,ZN
"tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)",SYSTEMATIC NAME,ACDLabs,12.01,105805,19448,2FJ
sodium,SYSTEMATIC NAME,ACDLabs,10.04,105806,19448,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105806,19448,NA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105840,19450,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105840,19450,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105913,19454,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105913,19454,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105946,19455,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105946,19455,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,105976,19456,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,105976,19456,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,106004,19457,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,106004,19457,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,106275,19472,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,106275,19472,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,106298,19473,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,106298,19473,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,106520,19486,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,106520,19486,ZN
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,106936,19510,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,106936,19510,ADP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,107185,19522,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107185,19522,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,107485,19540,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107485,19540,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107829,19555,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,107829,19555,HYP
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107847,19556,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,107847,19556,HYP
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,107866,19557,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107866,19557,CD
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,107968,19562,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,107968,19562,PTR
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108000,19563,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,108000,19563,FOL
"(2S)-2-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108019,19564,THG
"N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,108019,19564,THG
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108041,19565,NDP
"(2S)-2-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108042,19565,THG
"N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,108042,19565,THG
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108063,19566,NDP
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108085,19567,NDP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108086,19567,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,108086,19567,FOL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,108255,19577,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108255,19577,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,108274,19578,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108274,19578,ABA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,108315,19580,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108315,19580,NH2
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,108432,19587,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108432,19587,ABA
2-[(9-methylphenazin-10-ium-1-yl)carbonylamino]ethyl-[2-[2-[(9-methylphenazin-10-ium-1-yl)carbonylamino]ethylazaniumyl]ethyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,108501,19592,XR2
"4,4'-[ethane-1,2-diylbis(ammonioethane-2,1-diylcarbamoyl)]bis(6-methylphenazin-5-ium)",SYSTEMATIC NAME,ACDLabs,12.01,108501,19592,XR2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,108519,19593,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108519,19593,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,108520,19593,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108520,19593,NH2
"N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,108541,19594,PQ3
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,108688,19602,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108688,19602,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,108689,19602,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108689,19602,ACE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,108690,19602,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108690,19602,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,108736,19604,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,108736,19604,CA
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methyl-isoquinoline-3-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,108814,19608,PKA
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide,SYSTEMATIC NAME,ACDLabs,12.01,108814,19608,PKA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,109008,19619,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109008,19619,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109009,19619,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,109009,19619,DAL
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,109010,19619,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109010,19619,DHA
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,109011,19619,DBB
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109011,19619,DBB
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109012,19619,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,109012,19619,HYP
2-aminoethenethiol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109013,19619,TEE
(Z)-2-aminoethenethiol,SYSTEMATIC NAME,ACDLabs,10.04,109013,19619,TEE
(2S)-2-azanyl-3-(5-chloranyl-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,109014,19619,5CW
5-chloro-L-tryptophan,SYSTEMATIC NAME,ACDLabs,12.01,109014,19619,5CW
2'-deoxy-1-(2-iodoethyl)inosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,109035,19620,EDI
"[(2R,3S,5R)-5-[1-(2-iodanylethyl)-6-oxidanylidene-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,109035,19620,EDI
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109079,19622,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,109079,19622,FES
"3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109209,19629,CYC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,109209,19629,CYC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,109328,19638,HEC
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109591,19655,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,109591,19655,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,109610,19656,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,109610,19656,PTR
"(3R,4R)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,109664,19659,RBD
"(3R,4R)-1-[9-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]purin-6-yl]pyrrolidine-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,109664,19659,RBD
"(3S,4S)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,109707,19661,SDE
"(3S,4S)-1-[9-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]purin-6-yl]pyrrolidine-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,109707,19661,SDE
2-[(4-iodophenyl)sulfonylamino]benzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,109779,19664,SFQ
2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid,SYSTEMATIC NAME,ACDLabs,12.01,109779,19664,SFQ
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110025,1968,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,110025,1968,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,110080,19682,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110080,19682,ZN
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110109,19683,entity_GLC
alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,110109,19683,entity_GLC
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,110243,19692,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110243,19692,MG
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110244,19692,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,110244,19692,HOH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,110288,19694,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110288,19694,ZN
"(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol",SYSTEMATIC NAME,ACDLabs,12.01,110310,19695,2QL
"(11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol",SYSTEMATIC NAME,ACDLabs,12.01,110330,19696,2QL
"2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",SYSTEMATIC NAME,ACDLabs,10.04,110367,19698,PRF
"2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110367,19698,PRF
zinc,SYSTEMATIC NAME,ACDLabs,10.04,110711,19716,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110711,19716,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110730,19717,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,110730,19717,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110752,19718,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,110752,19718,FES
2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-1-ium-4-yl]methylideneamino]butanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,110929,19727,KET
(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methylidene)-L-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,110929,19727,KET
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111137,19738,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,111137,19738,ALY
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,111178,19740,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,111178,19740,HEM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,111179,19740,CAM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111179,19740,CAM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,111180,19740,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111180,19740,CYN
(2S)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,111219,19742,CIR
N~5~-carbamoyl-L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,111219,19742,CIR
(2S)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,111249,19744,CIR
N~5~-carbamoyl-L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,111249,19744,CIR
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,111321,19748,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,111321,19748,BGC
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,111322,19748,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,111322,19748,GAL
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111323,19748,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,111323,19748,FUC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,111526,19759,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111526,19759,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,111527,19759,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111527,19759,NH2
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,111528,19759,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,111528,19759,A2G
potassium,SYSTEMATIC NAME,ACDLabs,10.04,111548,19763,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111548,19763,K
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,111549,19763,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111549,19763,CYN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,111550,19763,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,111550,19763,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,111699,19771,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111699,19771,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,111971,19789,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,111971,19789,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,112320,19816,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,112320,19816,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,112346,19817,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,112346,19817,CA
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,112390,19819,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,112390,19819,CYN
N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-2-sulfanyl-benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,112492,19826,2W7
"N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide",SYSTEMATIC NAME,ACDLabs,12.01,112492,19826,2W7
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,112809,19843,GCH
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,112809,19843,GCH
"2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,112810,19843,CHO
"N-[(3alpha,5beta,7beta,8alpha)-3,7-dihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,12.01,112810,19843,CHO
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,113003,19853,FAG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,113041,19855,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113041,19855,ZN
2-(2-methylpropylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113064,19856,I4G
N-(2-methylpropyl)glycine,SYSTEMATIC NAME,ACDLabs,12.01,113064,19856,I4G
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,113065,19856,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113065,19856,NH2
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113087,19857,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,113087,19857,PTR
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113088,19857,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,113088,19857,TPO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,113089,19857,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113089,19857,ZN
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113112,19858,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,113112,19858,TPO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,113113,19858,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113113,19858,ZN
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,113174,19861,FAG
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,113193,19862,FAG
"N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine",SYSTEMATIC NAME,ACDLabs,10.04,113212,19863,FAG
"2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",SYSTEMATIC NAME,ACDLabs,10.04,113213,19863,7GU
"[(2R,3S,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113213,19863,7GU
5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,113364,19873,H2U
"[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113364,19873,H2U
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113474,19880,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,113474,19880,PCA
2-(2-methylpropylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113521,19882,I4G
N-(2-methylpropyl)glycine,SYSTEMATIC NAME,ACDLabs,12.01,113521,19882,I4G
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,113522,19882,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113522,19882,NH2
2-(2-methylpropylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113541,19883,I4G
N-(2-methylpropyl)glycine,SYSTEMATIC NAME,ACDLabs,12.01,113541,19883,I4G
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,113542,19883,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113542,19883,NH2
"3-[[2-[[4-[(4-acetamido-1-methyl-imidazol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-5-propan-2-yl-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113623,19888,3BF
"3-({[2-({[4-({[4-(acetylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(propan-2-yl)-1,3-thiazol-4-yl]carbonyl}amino)-N,N-dimethylpropan-1-aminium",SYSTEMATIC NAME,ACDLabs,12.01,113623,19888,3BF
"dimethyl-[3-[[2-[[1-methyl-4-[[1-methyl-4-(pyridin-3-ylcarbonylamino)pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]-5-propan-2-yl-1,3-thiazol-4-yl]carbonylamino]propyl]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113643,19889,3B5
"N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium",SYSTEMATIC NAME,ACDLabs,12.01,113643,19889,3B5
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,113761,19902,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113761,19902,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,113908,19911,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113908,19911,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,113909,19911,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113909,19911,NH2
2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,113927,19912,6HB
"[(2R,3S,5R)-3-oxidanyl-5-[6-[[(2S)-2-oxidanylbut-3-enyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,113927,19912,6HB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,113954,19913,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113954,19913,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,113972,19914,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,113972,19914,ZN
"(2R)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,114003,19916,DT7
"6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide",SYSTEMATIC NAME,ACDLabs,11.02,114003,19916,DT7
2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,114019,19917,5OC
"[(2R,3S,5R)-5-(4-azanyl-5-oxidanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,114019,19917,5OC
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,114037,19921,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114037,19921,OLA
(2R)-2-amino-3-selanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114072,19923,SEC
3-selanyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,114072,19923,SEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,114153,19929,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114153,19929,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,114154,19929,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114154,19929,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,114191,19931,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114191,19931,CA
"(2S,4S)-2-azanyl-4,5-bis(sulfanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,114207,19932,81S
"(4S)-4,5-disulfanyl-L-norvaline",SYSTEMATIC NAME,ACDLabs,12.01,114207,19932,81S
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,114208,19932,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114208,19932,NH2
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114242,19934,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,114242,19934,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114243,19934,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,114243,19934,PTR
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114263,19935,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,114263,19935,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114264,19935,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,114264,19935,PTR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114265,19935,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,114265,19935,ADP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114285,19936,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,114285,19936,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114286,19936,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,114286,19936,PTR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114307,19937,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,114307,19937,ADP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114308,19937,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,114308,19937,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114309,19937,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,114309,19937,PTR
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,114351,19939,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114351,19939,5CM
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,114439,19945,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114439,19945,FMN
"(2S)-2-azanyl-5-[[(4R,5S)-4-methyl-5-oxidanyl-imidazolidin-2-yl]amino]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,114592,19953,IOR
"N~5~-[(2S,4S,5R)-4-hydroxy-5-methylimidazolidin-2-yl]-L-ornithine",SYSTEMATIC NAME,ACDLabs,12.01,114592,19953,IOR
dihydrido(dioxido)oxophosphate(1-),SYSTEMATIC NAME,ACDLabs,10.04,114669,19958,PO3
zinc,SYSTEMATIC NAME,ACDLabs,10.04,114689,19959,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114689,19959,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,114834,19968,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114834,19968,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,114923,19973,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114923,19973,NH2
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,114998,19978,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,114998,19978,AIB
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,115120,19985,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,115120,19985,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,115141,19986,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115141,19986,ZN
(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,115199,19989,TYS
O-sulfo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,12.01,115199,19989,TYS
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,115570,20010,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115570,20010,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115571,20010,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115571,20010,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115605,20012,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115605,20012,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115622,20013,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115622,20013,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115683,20016,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115683,20016,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115701,20017,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115701,20017,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115719,20018,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115719,20018,NH2
(4-nitrophenyl)hydrazine,SYSTEMATIC NAME,ACDLabs,10.04,115738,20019,PND
(4-nitrophenyl)hydrazine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115738,20019,PND
(4-nitrophenyl)hydrazine,SYSTEMATIC NAME,ACDLabs,10.04,115774,20020,PND
(4-nitrophenyl)hydrazine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115774,20020,PND
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115796,20022,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115796,20022,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115814,20023,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,115814,20023,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,115815,20023,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115815,20023,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115840,20024,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,115840,20024,HYP
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,115858,20025,GLP
"[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxy-oxan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115858,20025,GLP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,115922,20028,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,115922,20028,SEP
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,116046,20033,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116046,20033,ABA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,116047,20033,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116047,20033,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,116072,20034,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116072,20034,ACE
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116106,20037,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,116106,20037,DPN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116123,20038,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,116123,20038,DTR
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116140,20039,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,116140,20039,DLY
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,116157,20040,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,116157,20040,DPN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116158,20040,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,116158,20040,DTR
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116159,20040,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,116159,20040,DLY
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116176,20041,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,116176,20041,DTR
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116177,20041,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,116177,20041,DLY
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116194,20042,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,116194,20042,DLY
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116195,20042,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,116195,20042,DTH
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116212,20043,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,116212,20043,DTR
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116213,20043,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,116213,20043,DTH
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116367,20050,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,10.04,116367,20050,DPR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,116445,20054,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116445,20054,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,116446,20054,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116446,20054,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,116468,20055,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116468,20055,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,116469,20055,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116469,20055,NH2
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116617,20063,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,116617,20063,LPD
3-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116650,20065,BAL
beta-alanine,SYSTEMATIC NAME,ACDLabs,10.04,116650,20065,BAL
3-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116716,20069,BAL
beta-alanine,SYSTEMATIC NAME,ACDLabs,10.04,116716,20069,BAL
(3S)-3-amino-5-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116735,20070,B3L
(3S)-3-amino-5-methylhexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,116735,20070,B3L
"1,2,3,4,6-pentakis-O-[(3,4,5-trihydroxyphenyl)carbonyl]-alpha-L-gulopyranose",SYSTEMATIC NAME,ACDLabs,10.04,116919,20081,GGP
"[(2S,3S,4S,5R,6S)-3,4,5-tris[(3,4,5-trihydroxyphenyl)carbonyloxy]-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116919,20081,GGP
rhodium(3+),SYSTEMATIC NAME,ACDLabs,11.02,116963,20084,RH3
rhodium(3+),SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,116963,20084,RH3
acetate,SYSTEMATIC NAME,ACDLabs,10.04,116964,20084,ACT
ethanoate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116964,20084,ACT
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,116965,20084,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,116965,20084,NH2
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117021,20087,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,117021,20087,PFF
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117022,20087,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117022,20087,NH2
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117040,20088,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,117040,20088,PFF
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117041,20088,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117041,20088,NH2
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117059,20089,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,117059,20089,PFF
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117060,20089,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117060,20089,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117112,20092,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,117112,20092,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117113,20092,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117113,20092,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117199,20101,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117199,20101,NH2
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,117291,20107,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117291,20107,ABA
"(4R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117344,20110,TYU
(4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,117344,20110,TYU
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117401,20113,NFA
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,117401,20113,NFA
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117523,2012,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,117523,2012,LPD
"3'-deoxy-3',5-dimethyl-2'-O-methyluridine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,10.04,117537,20121,T23
"[(2S,3R,4R,5R)-4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117537,20121,T23
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117808,2047,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,117808,2047,LPD
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117822,2048,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,117822,2048,LPD
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117901,2059,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,117901,2059,PCA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,117941,2062,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117941,2062,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,117942,2062,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,117942,2062,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118156,21001,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,118156,21001,PCA
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118175,21002,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,118175,21002,AIB
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,118247,21009,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118247,21009,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118248,21009,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118248,21009,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,118267,21010,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118267,21010,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118268,21010,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118268,21010,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118314,21014,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118314,21014,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,118349,21018,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118349,21018,ACE
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,118350,21018,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,118350,21018,SAR
1H-benzimidazole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,118351,21018,TRM
1H-benzimidazole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118351,21018,TRM
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118352,21018,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118352,21018,NH2
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,118411,21024,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118411,21024,CU1
hydroxide,SYSTEMATIC NAME,ACDLabs,10.04,118457,21027,OH
hydroxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118457,21027,OH
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118475,21028,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,118475,21028,HOH
"N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118490,21031,MAG
methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,118490,21031,MAG
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,118491,21031,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118491,21031,GAL
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118492,21031,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118492,21031,FUC
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118512,21032,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,118512,21032,NAG
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118513,21032,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118513,21032,FUC
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118537,21033,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,118537,21033,NAG
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,118538,21033,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118538,21033,GAL
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118539,21033,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118539,21033,FUC
"N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118559,21034,MAG
methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,118559,21034,MAG
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,118560,21034,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118560,21034,GAL
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118561,21034,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118561,21034,FUC
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,118614,21037,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,118614,21037,DPN
(2R)-2-amino-4-methyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118630,21038,DLE
D-leucine,SYSTEMATIC NAME,ACDLabs,10.04,118630,21038,DLE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,118676,21041,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118676,21041,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,118692,21042,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118692,21042,ACE
"N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118753,21053,MAG
methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,118753,21053,MAG
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118754,21053,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,118754,21053,A2G
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118755,21053,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118755,21053,FUC
"N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118774,21054,MAG
methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,118774,21054,MAG
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,118775,21054,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,118775,21054,NAG
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118776,21054,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,118776,21054,FUC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118829,21058,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118829,21058,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,118844,21059,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,118844,21059,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,119185,21082,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119185,21082,NH2
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,119317,2118,NFA
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119317,2118,NFA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119343,216,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,119343,216,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119344,216,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119384,217,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,119384,217,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119385,217,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119412,218,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119413,218,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,119413,218,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119427,219,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119428,219,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,119428,219,M3L
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,119507,2199,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119507,2199,ACE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119508,2199,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,119508,2199,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,119509,2199,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119509,2199,NH2
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119523,220,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,119523,220,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119524,220,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,119538,2200,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119538,2200,ACE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119539,2200,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,119539,2200,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,119540,2200,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119540,2200,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,119565,2202,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119565,2202,ACE
2-aminoethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119566,2202,GM1
glycinamide,SYSTEMATIC NAME,ACDLabs,10.04,119566,2202,GM1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,119580,2203,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119580,2203,ACE
2-aminoethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119581,2203,GM1
glycinamide,SYSTEMATIC NAME,ACDLabs,10.04,119581,2203,GM1
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119673,221,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,119673,221,AAC
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122474,25070,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122496,25071,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119674,221,HEC
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119701,2218,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,119701,2218,SAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119728,222,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119729,222,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,119729,222,M3L
(2S)-2-amino-3-(4-hydroxyphenyl)propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119782,2223,TYC
L-tyrosinamide,SYSTEMATIC NAME,ACDLabs,10.04,119782,2223,TYC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119874,223,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119875,223,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,119875,223,M3L
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,119967,224,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,119967,224,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,119968,224,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120008,225,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,120008,225,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120009,225,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120023,226,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120024,226,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120024,226,M3L
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120088,2266,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120088,2266,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120100,2267,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120100,2267,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120114,2268,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120114,2268,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120128,2269,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120128,2269,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120142,227,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120143,227,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120143,227,M3L
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120157,2270,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120157,2270,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120171,2271,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120171,2271,NH2
(2S)-2-amino-3-hydroxy-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120185,2272,SET
L-serinamide,SYSTEMATIC NAME,ACDLabs,10.04,120185,2272,SET
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120223,2276,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,120223,2276,PCA
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120224,2276,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,120224,2276,DPN
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,120225,2276,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,120225,2276,NLW
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,120241,2277,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120241,2277,DAB
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120286,228,HEC
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120311,2282,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,120311,2282,NLE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120378,229,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120379,229,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120379,229,M3L
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120406,2324,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,120406,2324,AME
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120420,2325,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,120420,2325,AME
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120434,2326,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,120434,2326,AME
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,120461,2328,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120461,2328,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120462,2328,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120462,2328,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,120476,2329,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120476,2329,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,120477,2329,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120477,2329,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120489,233,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120490,233,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120490,233,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120531,234,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120598,235,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120599,235,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120599,235,M3L
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120653,2366,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,120653,2366,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120654,2366,HEC
N-[(5S)-5-ammonio-5-carboxypentanoyl]-L-cysteinyl-S-methyl-D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,120669,2367,ACC
"[(2S)-1-hydroxy-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-1,6-dioxo-hexan-2-yl]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120669,2367,ACC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120670,2367,HEC
N-[(5S)-5-ammonio-5-carboxypentanoyl]-L-cysteinyl-S-methyl-D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,120685,2368,ACC
"[(2S)-1-hydroxy-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-1,6-dioxo-hexan-2-yl]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120685,2368,ACC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,120686,2368,HEC
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120789,24,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,120789,24,NLE
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,120790,24,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120790,24,AAR
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120951,2435,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120951,2435,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120963,2436,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120963,2436,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,120975,2437,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,120975,2437,M3L
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,121078,245,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121078,245,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,121246,2488,HEC
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121271,249,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,121271,249,LPD
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121311,250,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,121311,250,CY3
"(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4,10-bis(acetyloxy)-1,7-dihydroxy-13-({(2R,3S)-2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate",SYSTEMATIC NAME,ACDLabs,10.04,121417,25005,TA1
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,121418,25005,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,121418,25005,GTP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,121456,25008,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121456,25008,ZN
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121622,25019,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,121622,25019,FOL
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,121667,25022,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121667,25022,ACE
"(3S)-3-amino-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121668,25022,AMD
5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine,SYSTEMATIC NAME,ACDLabs,10.04,121668,25022,AMD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,121878,25034,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121878,25034,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,121905,25035,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,121905,25035,CA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122149,25048,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,122149,25048,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122323,25063,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122323,25063,ZN
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122369,25065,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,122369,25065,PNS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122474,25070,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122496,25071,ZN
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,122604,25080,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122604,25080,FE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122605,25080,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122605,25080,ZN
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122644,25082,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,122644,25082,PTR
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,122730,25087,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,122730,25087,MYR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122874,25100,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122874,25100,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122898,25101,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122898,25101,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,122922,25102,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122922,25102,ZN
"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",SYSTEMATIC NAME,ACDLabs,10.04,122970,25107,QUE
"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,122970,25107,QUE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,123045,25112,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123045,25112,NH2
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,123244,25124,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123244,25124,BEF
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123316,25129,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,123316,25129,HYP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,123431,25136,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123431,25136,CA
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,123449,25137,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123449,25137,BEF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,123450,25137,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123450,25137,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,123528,25141,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123528,25141,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,123561,25143,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123561,25143,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,123583,25145,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123583,25145,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,123661,25149,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123661,25149,ZN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,123726,25153,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123726,25153,FMN
"(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,123745,25154,1YE
"2-(5,6-dimethyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,123745,25154,1YE
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123872,25161,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123872,25161,DHA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123873,25161,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123873,25161,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123874,25161,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,123874,25161,DAL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123875,25161,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123875,25161,ABA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123890,25162,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123890,25162,DBU
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123891,25162,DBB
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123891,25162,DBB
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,123892,25162,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123892,25162,DHA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123893,25162,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,123893,25162,DAL
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,123931,25164,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123931,25164,MG
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,123932,25164,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,123932,25164,HOH
calcium,SYSTEMATIC NAME,ACDLabs,10.04,124085,25172,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124085,25172,CA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,124128,25174,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124128,25174,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,124347,25186,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124347,25186,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,124363,25187,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124363,25187,ABA
N-methyladenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,124381,25188,6MZ
"[(2R,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,124381,25188,6MZ
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,124420,25190,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124420,25190,NH2
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,124451,25192,NAG
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126635,25318,ACE
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,124451,25192,NAG
"(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124452,25192,AMU
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,124452,25192,AMU
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,124453,25192,FGA
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,124453,25192,FGA
"(2R,6S)-2,6-diaminoheptanedioic acid",SYSTEMATIC NAME,ACDLabs,12.01,124454,25192,API
"(2S,6R)-2,6-bis(azanyl)heptanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,124454,25192,API
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124455,25192,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,124455,25192,DAL
calcium,SYSTEMATIC NAME,ACDLabs,10.04,124577,25199,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124577,25199,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,124724,25208,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124724,25208,CA
"(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,124904,25220,6MD
N-methyladenosine,SYSTEMATIC NAME,ACDLabs,12.01,124904,25220,6MD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,124924,25221,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,124924,25221,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,125077,25229,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125077,25229,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,125102,25230,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125102,25230,ZN
"(3R,5R,7R)-N-{[(2S,5S)-5-bromotetrahydrothiophen-2-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-amine",SYSTEMATIC NAME,ACDLabs,12.01,125168,25233,3LW
N-[(5-bromanylthiolan-2-yl)methyl]adamantan-1-amine,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,125168,25233,3LW
"(3R,5R,7R)-N-{[(2S,5S)-5-bromotetrahydrothiophen-2-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-amine",SYSTEMATIC NAME,ACDLabs,12.01,125185,25234,3LW
N-[(5-bromanylthiolan-2-yl)methyl]adamantan-1-amine,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,125185,25234,3LW
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125222,25236,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,125222,25236,PFF
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,125223,25236,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125223,25236,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125266,25238,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,125266,25238,PCA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,125410,25248,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125410,25248,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,125430,25249,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125430,25249,ZN
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,125695,25269,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,125695,25269,NAG
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125776,25273,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,125776,25273,SEP
"N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,12.01,125968,25284,SDO
"[(3S)-4-[[3-[2-[3,7-bis(oxidanylidene)octylsulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphite",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,125968,25284,SDO
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,125990,25285,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,125990,25285,CMO
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,125991,25285,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,125991,25285,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,126008,25286,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,126008,25286,HEM
"N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3-oxo-5-phenylpentyl)sulfanyl]ethyl}-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,12.01,126025,25287,SXR
"[(3S)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(3-oxidanylidene-5-phenyl-pentyl)sulfanylethylamino]propyl]amino]butyl] dihydrogen phosphite",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,126025,25287,SXR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,126046,25288,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126046,25288,ZN
(2S)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126192,25295,ALA
L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,126192,25295,ALA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126193,25295,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126193,25295,NH2
"[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)",SYSTEMATIC NAME,ACDLabs,12.01,126306,25300,3UQ
zinc,SYSTEMATIC NAME,ACDLabs,10.04,126509,25312,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126509,25312,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126597,25316,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126597,25316,ACE
(2S)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126598,25316,ALA
L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,126598,25316,ALA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126616,25317,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126616,25317,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126617,25317,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126617,25317,NH2
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126635,25318,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126636,25318,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126636,25318,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126654,25319,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126654,25319,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126655,25319,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126655,25319,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126673,25320,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126673,25320,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126674,25320,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126674,25320,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126692,25321,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126692,25321,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126693,25321,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126693,25321,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,126711,25322,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126711,25322,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,126712,25322,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126712,25322,NH2
amino{[(4S)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,126730,25323,ARG
[amino-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126730,25323,ARG
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126872,25331,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,126872,25331,MAN
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,126892,25332,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,126892,25332,MAN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,127074,25342,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127074,25342,FMN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,127117,25344,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127117,25344,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,127134,25345,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127134,25345,CA
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127165,25347,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,127165,25347,MLY
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127193,25348,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,127193,25348,MLY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,127258,25351,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127258,25351,ZN
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127392,25360,AP5
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127408,25361,AP5
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127424,25362,AP5
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,127538,25369,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127538,25369,8OG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,127633,25376,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127633,25376,ZN
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,127669,25378,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127669,25378,8OG
"2'-deoxy-5'-2,3-dihydroxanthylic acid",SYSTEMATIC NAME,ACDLabs,12.01,127670,25378,3ZO
"[(2R,3S,5R)-5-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,127670,25378,3ZO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,127806,25386,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,127806,25386,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,127846,25389,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,127846,25389,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,127880,25390,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,127880,25390,HEM
benzyl carbonochloridate,SYSTEMATIC NAME,ACDLabs,12.01,127930,25394,PHQ
phenylmethyl carbonochloridate,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,127930,25394,PHQ
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,128215,25411,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,128215,25411,MYR
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,128325,25418,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,128376,25420,HEC
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128377,25420,FE2
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,128377,25420,FE2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,128416,25422,HEC
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128417,25422,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,128417,25422,FE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,128437,25423,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128437,25423,ZN
"(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,128514,25427,PAR
"(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128514,25427,PAR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,128607,25433,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128607,25433,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,128686,25437,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128686,25437,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,128702,25439,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128702,25439,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,128724,25440,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128724,25440,CD
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,128822,25446,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,128822,25446,PNS
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,128972,25455,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,128972,25455,HEM
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,128989,25456,MK8
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,128989,25456,MK8
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,129004,25457,MK8
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,129004,25457,MK8
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,129019,25458,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129019,25458,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,129020,25458,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129020,25458,NH2
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,129172,25465,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129172,25465,CGU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,129173,25465,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129173,25465,NH2
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129275,25470,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,129275,25470,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129290,25471,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,129290,25471,SEP
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,129398,25477,HEC
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129416,25478,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,129416,25478,SEP
silver(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129487,25483,AG
silver(1+),SYSTEMATIC NAME,ACDLabs,10.04,129487,25483,AG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,129532,25485,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129532,25485,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,129533,25485,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129533,25485,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,129591,25488,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129591,25488,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,129592,25488,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129592,25488,ZN
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,129593,25488,PX4
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129593,25488,PX4
calcium,SYSTEMATIC NAME,ACDLabs,10.04,129616,25489,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129616,25489,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,129617,25489,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129617,25489,ZN
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,129618,25489,PX4
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129618,25489,PX4
"(3alpha,8alpha,17alpha)-cholest-5-en-3-yl hydrogen sulfate",SYSTEMATIC NAME,ACDLabs,10.04,129619,25489,C3S
"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129619,25489,C3S
"(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129638,25490,GLA
alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,129638,25490,GLA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129639,25490,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,129639,25490,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,129640,25490,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129640,25490,NH2
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,129658,25491,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129658,25491,CGU
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129659,25491,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,129659,25491,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,129660,25491,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129660,25491,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,129737,25495,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129737,25495,CA
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,ACDLabs,12.01,129886,25502,ORI
4-[(E)-(4-oxidanylnaphthalen-1-yl)diazenyl]benzenesulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,129886,25502,ORI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,129903,25504,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129903,25504,ZN
oxido-rhenium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129952,25506,Re1O1
oxidorhenium,SYSTEMATIC NAME,ACDLabs,10.04,129952,25506,Re1O1
(2R)-3-phenyl-2-sulfanylpropanoic acid,SYSTEMATIC NAME,pubchem.ncbi.nlm.nih.gov,na,129953,25506,SDPhe
3-phenyl-2-sulfanylpropanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,129953,25506,SDPhe
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129954,25506,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,129954,25506,DTR
(2R)-3-phenyl-2-sulfanylpropanoic acid,SYSTEMATIC NAME,pubchem.ncbi.nlm.nih.gov,na,129971,25507,SDPhe
3-phenyl-2-sulfanylpropanoic acid,SYSTEMATIC NAME,cactus.nci.nih.gov,na,129971,25507,SDPhe
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,129972,25507,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,129972,25507,DTR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,130008,25509,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130008,25509,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,130070,25511,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130070,25511,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,130094,25512,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130094,25512,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130095,25512,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130095,25512,NH2
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methyl-isoquinoline-3-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,130116,25513,PKA
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide,SYSTEMATIC NAME,ACDLabs,12.01,130116,25513,PKA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130138,25514,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,130138,25514,SEP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130190,25517,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130190,25517,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130228,25519,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130228,25519,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130248,25520,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130248,25520,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130265,25521,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130265,25521,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130282,25522,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130282,25522,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130299,25523,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130299,25523,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130319,25524,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130319,25524,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130336,25525,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130336,25525,NH2
"(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,130360,25526,RIO
"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-oxane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130360,25526,RIO
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,130420,25528,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130420,25528,8OG
"N-(2-amino-3-methyl-3H-imidazo[4,5-f]quinolin-5-yl)-2'-deoxyguanosine 5'-(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,12.01,130478,25531,IQG
"[(2R,3S,5R)-5-[2-[(2-azanyl-3-methyl-imidazo[4,5-f]quinolin-5-yl)amino]-6-oxidanylidene-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,130478,25531,IQG
calcium,SYSTEMATIC NAME,ACDLabs,10.04,130512,25533,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130512,25533,CA
"N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide",SYSTEMATIC NAME,ACDLabs,10.04,130561,25536,CM7
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,130579,25537,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130579,25537,NH2
"4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one",SYSTEMATIC NAME,ACDLabs,12.01,130597,25538,48L
"4-[[(4S,5R)-4-(5-bromanyl-2-fluoranyl-phenyl)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,130597,25538,48L
"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(5-cyclohexylpentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130743,25546,CM5
5-cyclohexylpentyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside,SYSTEMATIC NAME,ACDLabs,10.04,130743,25546,CM5
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,130795,25551,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,130795,25551,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,130796,25551,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,130836,25553,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,130836,25553,ZN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,130921,25558,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,130921,25558,DPR
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131117,25569,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,131117,25569,SEP
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,131205,25573,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,131205,25573,MYR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,131254,25575,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131254,25575,ZN
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131353,25585,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,131353,25585,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,131422,25588,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131422,25588,CA
(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide,SYSTEMATIC NAME,ACDLabs,12.01,131423,25588,4DY
(E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,131423,25588,4DY
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,131461,25591,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,131461,25591,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,ACDLabs,12.01,131477,25592,ANI
4-(trifluoromethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,131477,25592,ANI
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,131527,25596,BGM
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131527,25596,BGM
"1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,131629,25601,MTN
"S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",SYSTEMATIC NAME,ACDLabs,12.01,131629,25601,MTN
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131858,25613,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,131858,25613,NVA
"(2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,131859,25613,HIX
"3-(1H-1,2,3-triazol-5-yl)-L-alanine",SYSTEMATIC NAME,ACDLabs,12.01,131859,25613,HIX
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131875,25614,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,131875,25614,NVA
"(2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,131876,25614,HIX
"3-(1H-1,2,3-triazol-5-yl)-L-alanine",SYSTEMATIC NAME,ACDLabs,12.01,131876,25614,HIX
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,131892,25615,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,131892,25615,NVA
"(2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,131893,25615,HIX
"3-(1H-1,2,3-triazol-5-yl)-L-alanine",SYSTEMATIC NAME,ACDLabs,12.01,131893,25615,HIX
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,132150,25631,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132150,25631,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,132151,25631,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132151,25631,NH2
"(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",SYSTEMATIC NAME,ACDLabs,12.01,132259,25640,HSD
"(1S,2S,3R,6R)-6-azanyl-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132259,25640,HSD
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,132260,25640,HEC
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132261,25640,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,132261,25640,HOH
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132500,25653,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,132500,25653,PCA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,132542,25655,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132542,25655,MG
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132543,25655,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,132543,25655,HOH
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,132660,25660,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,132660,25660,HEM
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-2-phenyl-indole-6-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132661,25660,CMF
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,132661,25660,CMF
5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,12.01,132691,25661,AP7
"[(2R,3S,4R,5R)-5-(6-azanylpurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,132691,25661,AP7
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132692,25661,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,132692,25661,GTP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,132693,25661,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132693,25661,MG
"2-amino-9-(beta-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,12.01,132896,25669,8XG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,134218,25742,ZN
"2-azanyl-9-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132896,25669,8XG
"1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione",SYSTEMATIC NAME,ACDLabs,12.01,132897,25669,8XU
"[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132897,25669,8XU
9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine,SYSTEMATIC NAME,ACDLabs,12.01,132898,25669,8XA
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132898,25669,8XA
4-amino-1-(5-O-phosphono-beta-D-xylofuranosyl)pyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,12.01,132899,25669,8XC
"[(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132899,25669,8XC
2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,132955,25672,4E9
"[(2R,3S,5R)-5-[2-azanyl-6-oxidanylidene-8-[(7-oxidanylidenebenzo[a]phenalen-3-yl)amino]-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132955,25672,4E9
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,132976,25673,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132976,25673,ACE
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,ACDLabs,12.01,132977,25673,4G6
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132977,25673,4G6
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,132978,25673,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,132978,25673,DPR
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,132979,25673,4FU
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,132979,25673,4FU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,132980,25673,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,132980,25673,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,133560,25707,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,133560,25707,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,133596,25709,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,133596,25709,ZN
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,133728,25716,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,133728,25716,PNS
"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,12.01,133747,25717,4EM
"[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(1H-pyrrol-2-ylcarbonylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,133747,25717,4EM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,133787,25719,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,133787,25719,ZN
"[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,133856,25723,4EN
2-(1H-imidazol-4-yl)ethanamine,SYSTEMATIC NAME,ACDLabs,10.04,133934,25727,HSM
2-(1H-imidazol-4-yl)ethanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,133934,25727,HSM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,134056,25734,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134056,25734,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,134074,25735,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134074,25735,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,134092,25736,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134092,25736,ZN
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134109,25737,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,134109,25737,DVA
"(2R)-2,4-bis(azanyl)butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134110,25737,4FO
"(2R)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,12.01,134110,25737,4FO
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134111,25737,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,134111,25737,DSN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134112,25737,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,134112,25737,DTR
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,134113,25737,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134113,25737,DAB
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134114,25737,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,134114,25737,28J
oxido(trioxo)rhenium,SYSTEMATIC NAME,ACDLabs,10.04,134130,25738,REO
oxido-trioxo-rhenium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134130,25738,REO
oxido(trioxo)rhenium,SYSTEMATIC NAME,ACDLabs,10.04,134148,25739,REO
oxido-trioxo-rhenium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134148,25739,REO
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134197,25741,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,134197,25741,DVA
"(2R)-2,4-bis(azanyl)butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134198,25741,4FO
"(2R)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,12.01,134198,25741,4FO
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134199,25741,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,134199,25741,DSN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134200,25741,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,134200,25741,DTR
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,134201,25741,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134201,25741,DAB
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134202,25741,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,134202,25741,28J
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134218,25742,ZN
pentanal,SYSTEMATIC NAME,ACDLabs,10.04,134320,25749,PTL
pentanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134320,25749,PTL
lutetium,SYSTEMATIC NAME,ACDLabs,10.04,134380,25752,LU
lutetium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134380,25752,LU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,134480,25757,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134480,25757,CA
"1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol",SYSTEMATIC NAME,ACDLabs,12.01,134512,25759,DN
"[(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,134512,25759,DN
"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one",SYSTEMATIC NAME,ACDLabs,10.04,134513,25759,QUE
"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134513,25759,QUE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,134597,25764,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134597,25764,ACE
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,134598,25764,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,134598,25764,DPR
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,ACDLabs,12.01,134599,25764,4G6
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134599,25764,4G6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,134614,25765,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134614,25765,NH2
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,134615,25765,4FU
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134615,25765,4FU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,134632,25766,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134632,25766,ZN
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134633,25766,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,134633,25766,HOH
"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,134832,25777,ADN
adenosine,SYSTEMATIC NAME,ACDLabs,10.04,134832,25777,ADN
"(2S)-2-azanyl-3-[[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,134996,25786,4HH
"O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,134996,25786,4HH
"(2S)-2-azanyl-3-[[(3R)-4-[[3-[2-(2-hydroxyphenyl)carbonylsulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135015,25787,4HJ
"O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,135015,25787,4HJ
calcium,SYSTEMATIC NAME,ACDLabs,10.04,135202,25797,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135202,25797,CA
3-aminopropan-1-ol,SYSTEMATIC NAME,ACDLabs,12.01,135247,25799,0D8
3-azanylpropan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135247,25799,0D8
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,135248,25799,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135248,25799,NAG
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135249,25799,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,135249,25799,FUC
6-O-sulfo-beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,135250,25799,G6S
"[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,135250,25799,G6S
"(2R,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135251,25799,SIA
"5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid",SYSTEMATIC NAME,ACDLabs,10.04,135251,25799,SIA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,135491,25810,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135491,25810,CA
"(2R)-2-azanyl-3-[2-[[4-[2,4-bis(fluoranyl)phenyl]phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135492,25810,4J4
"S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine",SYSTEMATIC NAME,ACDLabs,12.01,135492,25810,4J4
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135539,25813,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,135539,25813,NLE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,135540,25813,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135540,25813,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,135541,25813,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135541,25813,ACE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135556,25814,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,135556,25814,NLE
(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,135557,25814,4J2
(2R)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135557,25814,4J2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,135558,25814,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135558,25814,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,135559,25814,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135559,25814,ACE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135631,25820,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,135631,25820,NLE
(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,135632,25820,4J2
(2R)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,135632,25820,4J2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,135633,25820,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135633,25820,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,135634,25820,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135634,25820,ACE
4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,135972,25840,CFL
"[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,135972,25840,CFL
(2R)-2-fluoranylpropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,136011,25845,4LT
(2R)-2-fluoropropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,136011,25845,4LT
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,136030,25846,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136030,25846,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136048,25847,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,136048,25847,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136129,25851,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136129,25851,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136276,25859,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,136276,25859,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136277,25859,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136277,25859,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,136278,25859,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136278,25859,CA
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136279,25859,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,136279,25859,HOH
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136302,25860,NDP
"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,136303,25860,TOP
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136303,25860,TOP
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136322,25861,NDP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136376,25865,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,136376,25865,SEP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,136479,25870,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136479,25870,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,136547,25874,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,136547,25874,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136650,25881,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136650,25881,ZN
"(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside",SYSTEMATIC NAME,ACDLabs,12.01,136669,25882,4JF
"(1R,2S,3R)-11-diazanyl-3-[(1R,2S,3R)-11-diazanyl-1-[(2R,4S,5R,6S)-5-(dimethylamino)-6-methyl-4-oxidanyl-oxan-2-yl]oxy-2-ethyl-2-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6,9-bis(oxidanyl)-4,5,10-tris(oxidanylidene)-3,5a,8,10a-tetrahydro-1H-benzo[b]fluoren-3-yl]-1-[(2R,4S,5R,6S)-5-(dimethylamino)-6-methyl-4-oxidanyl-oxan-2-yl]oxy-2-ethyl-2-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6,9-bis(oxidanyl)-3,11a-dihydro-1H-benzo[b]fluorene-4,5,10-trione",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,136669,25882,4JF
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136765,25888,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136765,25888,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136856,25891,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136856,25891,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136881,25892,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136881,25892,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136906,25893,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136906,25893,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,136931,25894,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,136931,25894,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,137009,25898,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137009,25898,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,137087,25901,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137087,25901,ACE
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137088,25901,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,137088,25901,SEP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,137089,25901,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137089,25901,NH2
(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate,SYSTEMATIC NAME,ACDLabs,12.01,137128,25903,4JA
"[(2S)-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-propyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,137128,25903,4JA
(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate,SYSTEMATIC NAME,ACDLabs,12.01,137176,25906,4JA
"[(2S)-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-propyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,137176,25906,4JA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,137193,25907,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,137216,25908,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,137320,25913,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137320,25913,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,137343,25914,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137343,25914,ZN
4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate,SYSTEMATIC NAME,ACDLabs,12.01,137368,25915,AZW
[4-[(E)-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methyl dihydrogen phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,137368,25915,AZW
potassium,SYSTEMATIC NAME,ACDLabs,10.04,137369,25915,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137369,25915,K
"N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide",SYSTEMATIC NAME,ACDLabs,12.01,137616,25928,LCT
"N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,137616,25928,LCT
zinc,SYSTEMATIC NAME,ACDLabs,10.04,137698,25933,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137698,25933,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,137719,25934,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137719,25934,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,137904,25948,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137904,25948,NH2
"(2R,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137942,25950,BMA
beta-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,137942,25950,BMA
"(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137960,25951,FUC
6-deoxy-alpha-L-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,137960,25951,FUC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,137995,25953,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137995,25953,ZN
(2R)-2-amino-3-[3-[[(4Z)-4-(3-bromophenyl)imino-1H-quinazolin-6-yl]amino]-3-oxo-propyl]sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137996,25953,CY2
"S-[3-({(4Z)-4-[(3-bromophenyl)imino]-1,4-dihydroquinazolin-6-yl}amino)-3-oxopropyl]-L-cysteine",SYSTEMATIC NAME,ACDLabs,10.04,137996,25953,CY2
[(E)-4-(2-hydroxyphenyl)sulfanylbut-1-enyl]phosphonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,137997,25953,HE1
{(1E)-4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid,SYSTEMATIC NAME,ACDLabs,10.04,137997,25953,HE1
"4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide",SYSTEMATIC NAME,ACDLabs,12.01,137998,25953,HIE
"4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,137998,25953,HIE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,138020,25954,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138020,25954,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,138036,25955,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138036,25955,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,138237,25967,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138237,25967,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,138300,25971,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138300,25971,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,138348,25974,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138348,25974,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,138428,25982,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138428,25982,NH2
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,138429,25982,4FU
"(1R,2S)-cyclohexane-1,2-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,138429,25982,4FU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138430,25982,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,138430,25982,DAL
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,138431,25982,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,138431,25982,DPR
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,ACDLabs,12.01,138432,25982,4G6
"2-methylpropane-1,2-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,138432,25982,4G6
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,138433,25982,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138433,25982,ACE
(9Z)-hexadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,138471,25984,PAM
(Z)-hexadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138471,25984,PAM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,138553,25988,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138553,25988,ZN
"(2R,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,138990,26005,ALL
beta-D-allopyranose,SYSTEMATIC NAME,ACDLabs,10.04,138990,26005,ALL
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,139006,26006,GAL
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,139006,26006,GAL
"(2R,3R,4S,5R)-oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139022,26007,XYP
beta-D-xylopyranose,SYSTEMATIC NAME,ACDLabs,10.04,139022,26007,XYP
"(2S,3R,4S,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,139038,26008,4N2
beta-L-idopyranose,SYSTEMATIC NAME,ACDLabs,12.01,139038,26008,4N2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,139132,26016,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139132,26016,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,139289,26028,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139289,26028,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,139326,26030,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139326,26030,ZN
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139645,26047,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,139645,26047,MLY
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,139664,26048,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,145895,26843,ZN
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,139664,26048,HEM
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,139852,26059,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,139852,26059,ALY
(2S)-2-azanyl-6-[[(E)-but-2-enoyl]amino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.9.2,139890,26060,KCR
N~6~-[(2E)-but-2-enoyl]-L-lysine,SYSTEMATIC NAME,ACDLabs,12.01,139890,26060,KCR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,140027,26069,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,140027,26069,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,140474,26503,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,140474,26503,CA
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,140571,26507,PX4
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,140571,26507,PX4
"(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,140703,26511,DMP
"(4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,140703,26511,DMP
"(2S)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,140777,26514,GLN
L-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,140777,26514,GLN
"mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium",SYSTEMATIC NAME,ACDLabs,12.01,140833,26516,CGO
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,141066,26532,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141066,26532,BEF
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,141121,26535,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141121,26535,BEF
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141137,26536,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,141137,26536,AIB
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141152,26537,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,141152,26537,AIB
(2S)-2-azanyl-5-phenyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141153,26537,PH8
5-phenyl-L-norvaline,SYSTEMATIC NAME,ACDLabs,12.01,141153,26537,PH8
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,141154,26537,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141154,26537,NH2
(2R)-2-azanyl-4-sulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141169,26538,KCY
D-homocysteine,SYSTEMATIC NAME,ACDLabs,12.01,141169,26538,KCY
(2S)-2-amino-4-sulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141170,26538,HCS
L-homocysteine,SYSTEMATIC NAME,ACDLabs,10.04,141170,26538,HCS
(2S)-2-azanyl-5-phenyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141171,26538,PH8
5-phenyl-L-norvaline,SYSTEMATIC NAME,ACDLabs,12.01,141171,26538,PH8
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,141172,26538,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141172,26538,NH2
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141234,26545,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,141234,26545,TPO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,141543,26571,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141543,26571,CA
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,141617,26577,CYC
"3-[5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141617,26577,CYC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,141635,26578,HEC
"(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one",SYSTEMATIC NAME,ACD-LABS,4.04,141700,26582,CYC
"3-[5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-2-[(Z)-[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141700,26582,CYC
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141719,26583,NAP
"(2S)-2-[[4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141720,26583,THG
"N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,141720,26583,THG
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141738,26584,NAP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141739,26584,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,141739,26584,FOL
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,141756,26585,NDP
"5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,141939,26598,1YM
"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,141939,26598,1YM
"5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,142099,26609,1YM
"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,142099,26609,1YM
"5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,142129,26611,1YM
"6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,142129,26611,1YM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,142658,26645,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,142658,26645,ZN
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,142894,26660,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,142894,26660,LAT
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143028,26674,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,143028,26674,HYP
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143044,26675,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,143044,26675,HYP
3-azanylpropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,143076,26677,BAL
beta-alanine,SYSTEMATIC NAME,ACDLabs,12.01,143076,26677,BAL
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143108,26679,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,143108,26679,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143124,26680,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,143124,26680,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,143201,26685,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143201,26685,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,143217,26686,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143217,26686,CA
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,143249,26688,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,143249,26688,MYR
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,143250,26688,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143250,26688,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,143288,26691,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143288,26691,ZN
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143338,26694,NDP
"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,143339,26694,TOP
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143339,26694,TOP
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143358,26695,NDP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143439,26702,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,143439,26702,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143440,26702,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,143440,26702,TPO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,143834,26721,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143834,26721,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,143896,26724,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,143896,26724,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,144125,26741,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144125,26741,ZN
2-oxopentanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,144126,26741,AKG
2-oxopentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,144126,26741,AKG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,144151,26742,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144151,26742,ZN
2-oxopentanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,144152,26742,AKG
2-oxopentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,144152,26742,AKG
(2S)-2-amino-3-(6-bromo-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144174,26743,BTR
6-bromo-L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,144174,26743,BTR
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,144263,26750,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,144263,26750,HEM
"(3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,144264,26750,MIV
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,144318,26753,APR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144318,26753,APR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,144336,26754,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144336,26754,ZN
"(11alpha,14beta,16alpha,17alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",SYSTEMATIC NAME,ACDLabs,10.04,144370,26756,DEX
"(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144370,26756,DEX
"3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate",SYSTEMATIC NAME,ACDLabs,10.04,144371,26756,CPS
"3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144371,26756,CPS
"(11alpha,14beta,16alpha,17alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione",SYSTEMATIC NAME,ACDLabs,10.04,144392,26757,DEX
"(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144392,26757,DEX
"3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate",SYSTEMATIC NAME,ACDLabs,10.04,144393,26757,CPS
"3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144393,26757,CPS
"(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144493,26763,TES
"(8alpha,10alpha,13alpha,14beta,17alpha)-17-hydroxyandrost-4-en-3-one",SYSTEMATIC NAME,ACDLabs,10.04,144493,26763,TES
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,144595,26769,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144595,26769,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,144714,26776,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144714,26776,MG
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,144715,26776,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144715,26776,BEF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,144736,26777,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144736,26777,MG
trifluoroberyllate(1-),SYSTEMATIC NAME,ACDLabs,10.04,144737,26777,BEF
trifluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144737,26777,BEF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,144757,26778,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144757,26778,MG
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144879,26786,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,144879,26786,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144880,26786,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,144880,26786,TPO
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,144898,26787,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,144898,26787,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,144899,26787,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144899,26787,MG
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144954,26790,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,144954,26790,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,144972,26791,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,144972,26791,CA
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145038,26794,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145038,26794,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145039,26794,WFP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145057,26795,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145057,26795,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145058,26795,WFP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145076,26796,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145076,26796,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145077,26796,WFP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145095,26797,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145095,26797,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145096,26797,WFP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145114,26798,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145114,26798,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145115,26798,WFP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145133,26799,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,145133,26799,DTR
"(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,145134,26799,WFP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,145276,26807,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145276,26807,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,145297,26808,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145297,26808,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,145331,26810,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145331,26810,ZN
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,145366,26812,RET
retinal,SYSTEMATIC NAME,ACDLabs,12.01,145366,26812,RET
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,145382,26813,RET
retinal,SYSTEMATIC NAME,ACDLabs,12.01,145382,26813,RET
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145418,26815,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,145418,26815,ADP
"2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[5,4-c]pyridine-3-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145801,26838,OTA
"2-[(carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,145801,26838,OTA
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145895,26843,ZN
"2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[5,4-c]pyridine-3-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145969,26847,OTA
"2-[(carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,145969,26847,OTA
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145990,26848,SAM
"(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,145990,26848,SAM
"3,5-dinitrobenzene-1,2-diol",SYSTEMATIC NAME,ACDLabs,10.04,145991,26848,DNC
"3,5-dinitrobenzene-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145991,26848,DNC
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,145992,26848,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,145992,26848,MG
"(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,146044,26851,SFG
"(2S,5S)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]-2,5-bis(azanyl)hexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,146044,26851,SFG
"3,5-dinitrobenzene-1,2-diol",SYSTEMATIC NAME,ACDLabs,10.04,146045,26851,DNC
"3,5-dinitrobenzene-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,146045,26851,DNC
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,146046,26851,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,146046,26851,MG
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,12.01,146093,26854,FMN
"[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,146093,26854,FMN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,146180,26861,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,146180,26861,CA
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,146506,26885,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,146506,26885,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,146522,26886,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,146522,26886,HEM
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,147041,26927,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147041,26927,ACE
(2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,147109,26933,7HS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,147225,26940,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147225,26940,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,147311,26946,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147311,26946,CA
"methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,147329,26947,5U0
calcium,SYSTEMATIC NAME,ACDLabs,10.04,147443,26956,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147443,26956,CA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147515,26960,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,147515,26960,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147516,26960,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,147516,26960,TPO
"(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,12.01,147708,26971,HXG
"2-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.9.2,147708,26971,HXG
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147723,26972,SAM
"(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,147723,26972,SAM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,147739,26973,HEC
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,147773,26975,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,147773,26975,GDP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,147791,26976,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,147791,26976,GDP
4-amino-1-methyl-pyrimidin-2-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147829,26978,1MC
4-amino-1-methylpyrimidin-2(1H)-one,SYSTEMATIC NAME,ACDLabs,10.04,147829,26978,1MC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,147896,26982,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147896,26982,ZN
3-(2-aminoethyl)-1H-indol-5-ol,SYSTEMATIC NAME,ACDLabs,10.04,147915,26983,SRO
3-(2-aminoethyl)-1H-indol-5-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147915,26983,SRO
2-(1H-imidazol-4-yl)ethanamine,SYSTEMATIC NAME,ACDLabs,10.04,147916,26983,HSM
2-(1H-imidazol-4-yl)ethanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,147916,26983,HSM
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148016,26992,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,148016,26992,FME
(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148153,27,TYS
O-sulfo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,148153,27,TYS
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148231,27004,AP5
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148249,27005,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,148249,27005,ATP
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148267,27007,AP5
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148285,27008,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,148285,27008,ATP
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148303,27010,AP5
calcium,SYSTEMATIC NAME,ACDLabs,10.04,148431,27017,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148431,27017,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,148453,27019,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148453,27019,CA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148489,27022,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,148489,27022,ADP
(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,148490,27022,3PG
(2R)-2-hydroxy-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148490,27022,3PG
trifluoromagnesate(1-),SYSTEMATIC NAME,ACDLabs,10.04,148491,27022,MGF
trifluoromagnesium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148491,27022,MGF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,148492,27022,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148492,27022,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,148591,27028,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148591,27028,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,148821,27043,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,148821,27043,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,149081,27060,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149081,27060,NH2
3-morpholin-4-ylpropane-1-sulfonic acid,SYSTEMATIC NAME,ACDLabs,10.04,149215,27069,MPO
3-morpholin-4-ylpropane-1-sulfonic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149215,27069,MPO
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149336,27075,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,149336,27075,SEP
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149367,27077,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,149367,27077,PTR
"1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea",SYSTEMATIC NAME,ACDLabs,10.04,149493,27083,PD1
"3-tert-butyl-1-[2-(4-diethylaminobutylamino)-6-(3,5-dimethoxyphenyl)pyrido[6,5-d]pyrimidin-7-yl]urea",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149493,27083,PD1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,149670,27092,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149670,27092,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,149671,27092,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149671,27092,NH2
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,149934,27112,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,149934,27112,OLA
trioxido(oxo)vanadium,SYSTEMATIC NAME,ACDLabs,10.04,150022,27122,VO4
trioxido-oxo-vanadium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,150022,27122,VO4
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,150246,27136,GCH
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,150246,27136,GCH
4-(azepan-1-ylmethyl)-2-methyl-5-oxidanyl-~{N}-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,150388,27144,9WP
4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide,SYSTEMATIC NAME,ACDLabs,12.01,150388,27144,9WP
"1,6-di-O-phosphono-beta-D-glucopyranose",SYSTEMATIC NAME,ACDLabs,12.01,150853,27174,B16
"[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,150853,27174,B16
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,150854,27174,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,150854,27174,MG
"1,6-di-O-phosphono-beta-D-glucopyranose",SYSTEMATIC NAME,ACDLabs,12.01,150871,27175,B16
"[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,150871,27175,B16
calcium,SYSTEMATIC NAME,ACDLabs,10.04,151230,27199,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,151230,27199,CA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,151450,27214,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,151450,27214,SEP
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,12.01,151584,27224,FMN
"[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,151584,27224,FMN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,151998,27250,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,151998,27250,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,152015,27251,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152015,27251,ZN
(2S)-2-amino-6-methylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152016,27251,MLZ
N~6~-methyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,152016,27251,MLZ
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,152049,27254,HEC
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152066,27255,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,152066,27255,LAT
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152084,27256,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,152084,27256,LAT
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152102,27257,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,152102,27257,LAT
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152120,27258,LAT
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,152120,27258,LAT
"4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-e][1,3,5]triazin-5-yl]amino]ethyl]phenol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152169,27261,ZMA
"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",SYSTEMATIC NAME,ACDLabs,10.04,152169,27261,ZMA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152315,27270,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,152315,27270,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152371,27273,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,152371,27273,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152372,27273,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,152372,27273,PTR
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152389,27274,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,152389,27274,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152390,27274,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,152390,27274,PTR
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,152548,27284,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,152548,27284,HEM
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,152549,27284,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152549,27284,CMO
"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,152691,27293,5FW
"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,152723,27295,5FW
"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,152757,27297,5FW
"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",SYSTEMATIC NAME,ACDLabs,10.04,152774,27298,SXO
"S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] octanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152774,27298,SXO
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,152871,27304,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,152871,27304,PNS
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153037,27320,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,153037,27320,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153238,27337,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,153238,27337,TPO
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153627,27362,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,153627,27362,PTR
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,153647,27363,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,153647,27363,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153666,27364,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153666,27364,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153667,27364,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153667,27364,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153701,27366,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153701,27366,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153702,27366,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153702,27366,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153721,27367,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153721,27367,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153722,27367,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153722,27367,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153741,27368,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153741,27368,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153742,27368,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153742,27368,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153762,27369,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153762,27369,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153763,27369,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153763,27369,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153783,27370,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153783,27370,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153784,27370,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153784,27370,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153804,27371,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153804,27371,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153805,27371,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153805,27371,5CM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,153825,27372,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153825,27372,ZN
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,153826,27372,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153826,27372,5CM
"N-(2-chloranyl-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,153844,27373,1N1
"N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide",SYSTEMATIC NAME,ACDLabs,12.01,153844,27373,1N1
"(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",SYSTEMATIC NAME,ACDLabs,12.01,153910,27377,K13
"[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,153910,27377,K13
"(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate",SYSTEMATIC NAME,ACDLabs,12.01,153929,27378,K13
"[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,153929,27378,K13
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153947,27379,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,153947,27379,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,153948,27379,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153948,27379,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,153949,27379,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,153949,27379,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154000,27382,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154000,27382,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154001,27382,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154001,27382,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154002,27382,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154002,27382,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154019,27383,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154019,27383,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154020,27383,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154020,27383,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154021,27383,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154021,27383,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154039,27384,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154039,27384,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154040,27384,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154040,27384,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154041,27384,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154041,27384,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154058,27385,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154058,27385,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154059,27385,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154059,27385,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154060,27385,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154060,27385,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154077,27386,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154077,27386,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154078,27386,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154078,27386,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154079,27386,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154079,27386,PCA
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,154097,27387,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,154097,27387,GDP
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154112,27388,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154112,27388,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154113,27388,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154113,27388,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154114,27388,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154114,27388,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154131,27389,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154131,27389,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154132,27389,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154132,27389,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154133,27389,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154133,27389,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154150,27390,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154150,27390,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154151,27390,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154151,27390,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154152,27390,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154152,27390,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154169,27391,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154169,27391,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,154170,27391,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154170,27391,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154171,27391,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,154171,27391,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,154410,27404,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154410,27404,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,154489,27409,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154489,27409,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,154514,27410,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154514,27410,MG
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl-methyl-sulfonio]butanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154630,27417,SAM
"(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,154630,27417,SAM
(2S)-2-amino-4-hydroxy-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154875,27434,HSE
L-homoserine,SYSTEMATIC NAME,ACDLabs,10.04,154875,27434,HSE
"(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",SYSTEMATIC NAME,ACDLabs,12.01,154876,27434,HSD
"(1S,2S,3R,6R)-6-azanyl-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,154876,27434,HSD
"1,4-dichloro-2-(2,5-dichloro-4-methylsulfonyl-phenyl)-5-methylsulfonyl-benzene",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,154877,27434,PCB
"2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl",SYSTEMATIC NAME,ACDLabs,10.04,154877,27434,PCB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,155075,27447,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155075,27447,ZN
"(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,155184,27452,SAH
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155184,27452,SAH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,155300,27459,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155300,27459,ZN
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155380,27463,NAP
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,155411,27465,RET
retinal,SYSTEMATIC NAME,ACDLabs,12.01,155411,27465,RET
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,12.01,155477,27469,FMN
"[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,155477,27469,FMN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,12.01,155494,27470,FMN
"[(2R,3S,4S)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,155494,27470,FMN
(2R)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155614,27478,ZAE
N-methyl-D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,155614,27478,ZAE
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155615,27478,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,155615,27478,DGN
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,155616,27478,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,155616,27478,28J
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155617,27478,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,155617,27478,DTH
(2R)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155632,27479,ZAE
N-methyl-D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,155632,27479,ZAE
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155633,27479,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,155633,27479,DGN
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,155634,27479,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,155634,27479,28J
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155635,27479,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,155635,27479,DTH
(2R)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155650,27480,ZAE
N-methyl-D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,155650,27480,ZAE
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155651,27480,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,155651,27480,DGN
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,155652,27480,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,155652,27480,28J
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155653,27480,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,155653,27480,DTH
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,155730,27485,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155730,27485,NH2
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155825,27493,CU
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,155825,27493,CU
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,155864,27495,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,155864,27495,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,156539,27538,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,156539,27538,TPO
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,156818,27556,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,156818,27556,HEM
2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine,SYSTEMATIC NAME,ACDLabs,12.01,156900,27561,XC5
"[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,156900,27561,XC5
zinc,SYSTEMATIC NAME,ACDLabs,10.04,156946,27564,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,156946,27564,ZN
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide,SYSTEMATIC NAME,ACDLabs,10.04,156979,27566,NIL
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,156979,27566,NIL
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,157075,27572,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157075,27572,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157076,27572,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,157076,27572,DAL
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,157077,27572,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157077,27572,DHA
4-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,157078,27572,ABU
4-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,157078,27572,ABU
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,157079,27572,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,157079,27572,DBB
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,157080,27572,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,157080,27572,NAG
"(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157081,27572,MUB
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,157081,27572,MUB
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,157082,27572,FGA
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,157082,27572,FGA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,157161,27577,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157161,27577,MG
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,157162,27577,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,157162,27577,GDP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,157621,27606,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157621,27606,ZN
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,157713,27612,APR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,157713,27612,APR
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,158141,27638,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158141,27638,OLA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,158263,27646,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158263,27646,MG
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,158264,27646,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,158264,27646,GDP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158285,27647,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,158285,27647,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158286,27647,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,158286,27647,TPO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,158382,27654,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158382,27654,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,158400,27655,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158400,27655,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,158634,27673,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,158634,27673,FES
calcium,SYSTEMATIC NAME,ACDLabs,10.04,159184,27711,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159184,27711,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,159203,27712,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159203,27712,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,159301,27718,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159301,27718,MG
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,159302,27718,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,159302,27718,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,159320,27719,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159320,27719,MG
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,159321,27719,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,159321,27719,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,159339,27720,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159339,27720,MG
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,159340,27720,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,159340,27720,GDP
5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,159482,27726,GSP
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159482,27726,GSP
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,159499,27728,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,159499,27728,ABA
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159500,27728,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,159500,27728,NLE
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,159534,27730,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,159534,27730,ABA
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159535,27730,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,159535,27730,NLE
"(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",SYSTEMATIC NAME,ACDLabs,10.04,159575,27733,FK5
"(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",SYSTEMATIC NAME,ACDLabs,10.04,159619,27737,FK5
"(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone",SYSTEMATIC NAME,ACDLabs,10.04,159663,27739,FK5
"(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,159822,27752,BMT
"4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",SYSTEMATIC NAME,ACDLabs,12.01,159822,27752,BMT
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159823,27752,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,159823,27752,DAL
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,159824,27752,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,159824,27752,SAR
(2S)-4-methyl-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,159825,27752,MLE
N-methyl-L-leucine,SYSTEMATIC NAME,ACDLabs,12.01,159825,27752,MLE
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,159826,27752,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,159826,27752,MVA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,159889,27756,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159889,27756,NH2
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,159990,27764,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,159990,27764,SEP
"(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,160196,27779,BMT
"4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",SYSTEMATIC NAME,ACDLabs,12.01,160196,27779,BMT
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160197,27779,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,160197,27779,DAL
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160198,27779,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,160198,27779,SAR
(2S)-4-methyl-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160199,27779,MLE
N-methyl-L-leucine,SYSTEMATIC NAME,ACDLabs,12.01,160199,27779,MLE
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160200,27779,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,160200,27779,MVA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,160347,27787,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160347,27787,CA
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,160472,27794,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,160472,27794,GTP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,160473,27794,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160473,27794,MG
(2~{S})-2-azanyl-6-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,160532,27797,RF9
N~6~-[(1R)-1-carboxyethyl]-L-lysine,SYSTEMATIC NAME,ACDLabs,12.01,160532,27797,RF9
"(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,160578,27800,BMT
"4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",SYSTEMATIC NAME,ACDLabs,12.01,160578,27800,BMT
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160579,27800,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,160579,27800,DAL
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160580,27800,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,160580,27800,SAR
(2S)-4-methyl-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160581,27800,MLE
N-methyl-L-leucine,SYSTEMATIC NAME,ACDLabs,12.01,160581,27800,MLE
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,160582,27800,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,160582,27800,MVA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160757,27812,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,160757,27812,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160758,27812,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,160758,27812,TPO
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,160917,27825,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160917,27825,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,160939,27826,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,160939,27826,MG
"7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione",SYSTEMATIC NAME,ACDLabs,12.01,160940,27826,Y55
"7-(furan-2-yl)-2-oxidanyl-4~{H}-isoquinoline-1,3-dione",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,160940,27826,Y55
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161007,27830,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,161007,27830,TRP
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,161162,27840,GLU
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,161162,27840,GLU
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,161180,27841,GLU
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,161180,27841,GLU
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,161198,27842,GLU
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,161198,27842,GLU
"(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161218,27843,KAI
"(3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline",SYSTEMATIC NAME,ACDLabs,10.04,161218,27843,KAI
"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",SYSTEMATIC NAME,ACDLabs,11.02,161361,27853,C2E
calcium,SYSTEMATIC NAME,ACDLabs,10.04,161380,27854,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161380,27854,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,161536,27865,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161536,27865,CA
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,161601,27869,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,161601,27869,HEM
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,161655,27873,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161655,27873,ACE
(2R)-2-amino-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161656,27873,MED
D-methionine,SYSTEMATIC NAME,ACDLabs,10.04,161656,27873,MED
(2R)-2-amino-4-methyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161657,27873,DLE
D-leucine,SYSTEMATIC NAME,ACDLabs,10.04,161657,27873,DLE
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161658,27873,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,161658,27873,DTR
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161659,27873,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,161659,27873,DCY
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161660,27873,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,161660,27873,DSG
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161661,27873,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,161661,27873,DLY
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,161662,27873,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161662,27873,NH2
"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",SYSTEMATIC NAME,ACDLabs,11.02,161730,27876,C2E
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,161783,27879,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161783,27879,MG
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161784,27879,ADP
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,161784,27879,ADP
tetrafluoroaluminate(1-),SYSTEMATIC NAME,ACDLabs,10.04,161785,27879,ALF
tetrafluoroaluminum,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161785,27879,ALF
zinc,SYSTEMATIC NAME,ACDLabs,10.04,161802,27880,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161802,27880,ZN
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161866,27884,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,161866,27884,SEP
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,164759,286,AAC
"(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,161945,27890,J01
"(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,161945,27890,J01
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,162219,27920,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,162219,27920,MG
"(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide",SYSTEMATIC NAME,ACDLabs,12.01,162352,27929,NXL
"[[(3R,6S)-6-aminocarbonyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,162352,27929,NXL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,162405,27932,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,162405,27932,ZN
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,162500,27946,REA
retinoic acid,SYSTEMATIC NAME,ACDLabs,12.01,162500,27946,REA
(2R)-2-azanyl-3-[(S)-oxidanylsulfinyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,162515,27947,CSD
3-sulfino-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,162515,27947,CSD
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,162628,27954,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,162628,27954,ATP
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,162729,27960,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,162729,27960,DSN
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,162965,27976,NAP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,163066,27981,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163066,27981,CA
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,163155,27987,HEM
"[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,163155,27987,HEM
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163286,27995,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,163286,27995,SEP
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163287,27995,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,163287,27995,TPO
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163412,28002,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,163412,28002,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163429,28003,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,163429,28003,FES
zinc,SYSTEMATIC NAME,ACDLabs,10.04,163479,28011,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163479,28011,ZN
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,163515,28015,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,163515,28015,GTP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,163516,28015,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163516,28015,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,163567,28019,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163567,28019,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,163583,2802,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163583,2802,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163584,2802,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,163584,2802,AIB
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163585,2802,PHL
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,163585,2802,PHL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,163600,28020,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163600,28020,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,163618,28021,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163618,28021,MG
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,163619,28021,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,163619,28021,GTP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,163637,28022,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163637,28022,MG
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,163638,28022,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,163638,28022,GTP
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,163915,28046,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163915,28046,GNP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,163934,28047,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,163934,28047,GDP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,163981,28050,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,163981,28050,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,164016,28052,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164016,28052,ZN
gallium,SYSTEMATIC NAME,ACDLabs,10.04,164080,28057,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164080,28057,GA
"N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)",SYSTEMATIC NAME,ACDLabs,12.01,164081,28057,LCM
"N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-2,3-bis(oxidanyl)benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,164081,28057,LCM
calcium,SYSTEMATIC NAME,ACDLabs,10.04,164099,28058,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164099,28058,CA
"(E,2S,3R,4R)-4-methyl-2-(methylamino)-3-oxidanyl-oct-6-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,164177,28066,BMT
"4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid",SYSTEMATIC NAME,ACDLabs,12.01,164177,28066,BMT
(2S)-4-methyl-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,164178,28066,MLE
N-methyl-L-leucine,SYSTEMATIC NAME,ACDLabs,12.01,164178,28066,MLE
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,164179,28066,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,164179,28066,MVA
2-(methylamino)ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,164180,28066,SAR
N-methylglycine,SYSTEMATIC NAME,ACDLabs,12.01,164180,28066,SAR
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164181,28066,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,164181,28066,DAL
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,164278,28095,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164278,28095,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,164295,28096,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164295,28096,MG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,164314,28097,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164314,28097,MG
trifluoromagnesate(1-),SYSTEMATIC NAME,ACDLabs,10.04,164315,28097,MGF
trifluoromagnesium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164315,28097,MGF
6-O-phosphono-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,164316,28097,G6P
"[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164316,28097,G6P
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164435,28123,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164435,28123,ACE
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,164436,28123,MHO
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164436,28123,MHO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164437,28123,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164437,28123,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164457,28124,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164457,28124,ACE
(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,164458,28124,4PQ
5-hydroxy-L-tryptophan,SYSTEMATIC NAME,ACDLabs,12.01,164458,28124,4PQ
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164459,28124,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164459,28124,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164477,28125,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164477,28125,ACE
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,164478,28125,KYN
(2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,164478,28125,KYN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164479,28125,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164479,28125,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164497,28126,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164497,28126,ACE
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,164498,28126,MHO
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164498,28126,MHO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164499,28126,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164499,28126,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164519,28127,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164519,28127,ACE
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,164520,28127,MHO
(2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164520,28127,MHO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164521,28127,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164521,28127,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164541,28128,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164541,28128,ACE
(2S)-2-amino-4-(methylsulfonyl)butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,164542,28128,OMT
(2S)-2-amino-4-methylsulfonyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164542,28128,OMT
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164543,28128,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164543,28128,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164561,28129,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164561,28129,ACE
(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,164562,28129,NFK
(2~{S})-2-azanyl-4-(2-formamidophenyl)-4-oxidanylidene-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,164562,28129,NFK
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164563,28129,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164563,28129,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,164582,28130,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164582,28130,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,164583,28130,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164583,28130,NH2
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164691,285,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,164691,285,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,164692,285,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164759,286,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,164760,286,HEC
"(2S,3R)-2-acetamido-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,164813,289,THC
N-acetyl-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,164813,289,THC
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165100,2960,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,165100,2960,NLE
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,165101,2960,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165101,2960,AAR
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,165116,2968,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165255,30002,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165255,30002,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165281,30003,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165281,30003,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165306,30004,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165306,30004,ZN
"S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",SYSTEMATIC NAME,ACDLabs,12.01,165354,30006,66S
"~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] octanethioate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,165354,30006,66S
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165388,30008,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165388,30008,ZN
potassium,SYSTEMATIC NAME,ACDLabs,10.04,165465,30012,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165465,30012,K
"[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,165504,30015,63T
"[(2~{R},3~{S})-3-oxidanyl-5-oxidanylidene-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,165504,30015,63T
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,165505,30015,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165505,30015,8OG
"[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,165523,30016,63T
"[(2~{R},3~{S})-3-oxidanyl-5-oxidanylidene-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,165523,30016,63T
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,165524,30016,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165524,30016,8OG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165772,30030,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165772,30030,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,165809,30032,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165809,30032,ZN
(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,165912,30038,80G
1-(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,ACDLabs,10.04,165912,30038,80G
(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166026,30044,80G
1-(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,ACDLabs,10.04,166026,30044,80G
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,166068,30046,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,166068,30046,DPR
"2-[[2-methoxy-5-[[(~{E})-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,166105,30048,6FS
"N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine",SYSTEMATIC NAME,ACDLabs,12.01,166105,30048,6FS
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,166123,30049,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,166123,30049,DPR
"2-[[2-methoxy-5-[[(~{E})-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,166140,30050,6FS
"N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine",SYSTEMATIC NAME,ACDLabs,12.01,166140,30050,6FS
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,166158,30051,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,166158,30051,DPR
2'-deoxy-5'-O-thiophosphonoguanosine,SYSTEMATIC NAME,ACDLabs,10.04,166175,30052,GS
"[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166175,30052,GS
2'-deoxy-5'-O-thiophosphonoguanosine,SYSTEMATIC NAME,ACDLabs,10.04,166215,30054,GS
"[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166215,30054,GS
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,166265,30057,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166265,30057,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,166266,30057,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166266,30057,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,166298,30059,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166298,30059,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,166314,30060,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166314,30060,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,166352,30062,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166352,30062,CA
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166353,30062,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,166353,30062,TPO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,166372,30063,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166372,30063,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,166404,30064,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166404,30064,CA
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,166450,30066,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166450,30066,PNS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,166544,30071,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166544,30071,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,166619,30075,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166619,30075,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,166641,30076,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,166641,30076,NH2
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167249,30106,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,167249,30106,FME
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167310,30109,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,167310,30109,FME
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,167517,30119,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167517,30119,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,167536,30120,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167536,30120,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,167577,30123,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167577,30123,ACE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,167700,30130,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167700,30130,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,167719,30131,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167719,30131,ZN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,167874,30138,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,167874,30138,DPR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,167895,30139,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167895,30139,ZN
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167921,30140,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,167921,30140,DAR
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167922,30140,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,167922,30140,DSG
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167941,30141,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,167941,30141,DAL
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,167942,30141,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,167942,30141,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,167943,30141,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167943,30141,NH2
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,167962,30142,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,167962,30142,DPR
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,167999,30144,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,167999,30144,DAL
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168000,30144,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,168000,30144,DAR
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168001,30144,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,168001,30144,DAS
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168002,30144,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,168002,30144,DCY
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,168003,30144,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,168003,30144,DGL
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168004,30144,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,168004,30144,DLY
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,168005,30144,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,168005,30144,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,168042,30146,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,168042,30146,DPR
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,168080,30148,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168080,30148,5CM
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,168146,30151,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168146,30151,5CM
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168168,30152,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,168168,30152,DTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168169,30152,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168169,30152,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,168251,30156,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168251,30156,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168460,30167,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168460,30167,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168477,30168,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168477,30168,NH2
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,168542,30176,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168542,30176,CGU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168543,30176,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168543,30176,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,168562,30177,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168562,30177,ZN
(2S)-2-amino-6-dimethylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168563,30177,MLY
"N~6~,N~6~-dimethyl-L-lysine",SYSTEMATIC NAME,ACDLabs,10.04,168563,30177,MLY
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168564,30177,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168564,30177,NH2
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,168588,30178,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168588,30178,CGU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168589,30178,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168589,30178,NH2
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,168606,30179,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168606,30179,CGU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168607,30179,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168607,30179,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168625,30180,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168625,30180,NH2
5'-thymidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,168661,30184,DT
"[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168661,30184,DT
2'-O-methyladenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,168662,30184,A2M
"[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,168662,30184,A2M
2'-deoxy-5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,10.04,168663,30184,DA
"[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168663,30184,DA
"[5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc",SYSTEMATIC NAME,ACDLabs,12.01,168707,30186,7BU
"3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine",SYSTEMATIC NAME,ACDLabs,12.01,168746,30189,1YO
"3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,168746,30189,1YO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168764,30190,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168764,30190,NH2
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,168788,30191,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168788,30191,5CM
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168896,30197,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,168896,30197,SEP
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,168918,30198,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168918,30198,5CM
(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168919,30198,80G
1-(4-thiophen-2-ylphenyl)methanamine,SYSTEMATIC NAME,ACDLabs,10.04,168919,30198,80G
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,168963,302,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,168963,302,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169017,30202,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169017,30202,NH2
(2S)-2-aminohexanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,169018,30202,UN1
(2S)-2-aminohexanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169018,30202,UN1
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169035,30203,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169035,30203,NH2
(2S)-2-aminohexanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,169036,30203,UN1
(2S)-2-aminohexanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169036,30203,UN1
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169095,30206,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,169095,30206,ALY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,169121,30207,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169121,30207,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,169144,30208,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169144,30208,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,169185,30210,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169185,30210,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169207,30211,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169207,30211,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169227,30212,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169227,30212,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169247,30213,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169247,30213,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169267,30214,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169267,30214,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169287,30215,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169287,30215,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169307,30216,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169307,30216,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169327,30217,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169327,30217,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169347,30218,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169347,30218,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169368,30219,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169368,30219,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169500,30225,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,169500,30225,HYP
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169525,30226,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,169525,30226,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,169552,30227,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169552,30227,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169602,30231,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,169602,30231,FES
"(3S)-3,7-diaminoheptanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,169837,30244,B3K
"(3S)-3,7-diaminoheptanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169837,30244,B3K
"(3S)-3,6-diamino-6-oxo-hexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169838,30244,B3Q
"(3S)-3,6-diamino-6-oxohexanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,169838,30244,B3Q
(2S)-2-(methylamino)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,169839,30244,MAA
N-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,169839,30244,MAA
(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,169840,30244,MMO
N~2~-methyl-L-arginine,SYSTEMATIC NAME,ACDLabs,12.01,169840,30244,MMO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,169841,30244,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169841,30244,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169842,30244,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,169842,30244,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,169843,30244,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169843,30244,ZN
3-aminopentanedioic acid,SYSTEMATIC NAME,ACDLabs,12.01,169844,30244,B3D
3-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,169844,30244,B3D
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,169967,30250,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169967,30250,5CM
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,169968,30250,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169968,30250,8OG
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,169989,30251,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169989,30251,5CM
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,169990,30251,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,169990,30251,8OG
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,170011,30252,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170011,30252,5CM
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,170012,30252,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170012,30252,8OG
2'-deoxy-1-methyladenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,170080,30255,MA7
"[(2R,3S,5R)-5-(6-amino-1-methyl-purin-1-ium-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170080,30255,MA7
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,170142,30258,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,170142,30258,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,170238,30263,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170238,30263,NH2
"1,3,5-tris(bromomethyl)benzene",SYSTEMATIC NAME,ACDLabs,12.01,170278,30267,ZBR
"1,3,5-tris(bromomethyl)benzene",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,170278,30267,ZBR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,170416,30276,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170416,30276,ZN
"4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium",SYSTEMATIC NAME,ACDLabs,12.01,170523,30285,4N1
"[4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methanethiol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,170523,30285,4N1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170651,30291,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,170651,30291,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,170652,30291,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170652,30291,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,170884,30305,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170884,30305,ACE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,170885,30305,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170885,30305,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,170886,30305,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170886,30305,NH2
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,170887,30305,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,170887,30305,SEP
"1-[(3S)-3-amino-3-carboxypropyl]triaza-1,2-dien-2-ium",SYSTEMATIC NAME,ACDLabs,10.04,170929,30307,AZH
[(3S)-3-amino-4-hydroxy-4-oxo-butyl]imino-imino-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,170929,30307,AZH
3-methyl-N-phenylaniline,SYSTEMATIC NAME,ACDLabs,12.01,170950,30308,9XG
3-methyl-~{N}-phenyl-aniline,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,170950,30308,9XG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,171155,30318,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171155,30318,NH2
(3-methylphenyl)methanol,SYSTEMATIC NAME,ACDLabs,12.01,171174,30319,B74
(3-methylphenyl)methanol,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,171174,30319,B74
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,171348,30328,5CM
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171996,30360,DVA
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171348,30328,5CM
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,171349,30328,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171349,30328,8OG
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,171350,30328,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171350,30328,DCZ
2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,171371,30329,5CM
"[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171371,30329,5CM
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,171372,30329,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171372,30329,8OG
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,171373,30329,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171373,30329,DCZ
4-sulfanylbutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,171456,30333,H00
4-sulfanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,171456,30333,H00
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,171457,30333,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171457,30333,NH2
1-methyl-3-(3-methylphenyl)benzene,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,171458,30333,B0I
"3,3'-dimethyl-1,1'-biphenyl",SYSTEMATIC NAME,ACDLabs,12.01,171458,30333,B0I
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171459,30333,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,171459,30333,DAL
"[[4-[[2-[4-[azaniumylidene(azanyl)methyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-5-yl]oxymethyl]phenyl]-azanyl-methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,171512,30336,BVV
"amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium",SYSTEMATIC NAME,ACDLabs,12.01,171512,30336,BVV
2-aminobenzoic acid,SYSTEMATIC NAME,ACDLabs,10.04,171701,30346,BE2
2-aminobenzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171701,30346,BE2
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,171702,30346,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,171702,30346,DPN
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,171703,30346,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,171703,30346,ORN
2-aminobenzoic acid,SYSTEMATIC NAME,ACDLabs,10.04,171719,30347,BE2
2-aminobenzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171719,30347,BE2
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,171720,30347,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,171720,30347,DPN
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,171721,30347,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,171721,30347,ORN
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171886,30355,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,171886,30355,DGN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171887,30355,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171887,30355,DPR
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171888,30355,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,171888,30355,DAR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171905,30356,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171905,30356,DPR
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171906,30356,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,171906,30356,DSG
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171907,30356,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,171907,30356,DLY
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171924,30357,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,171924,30357,DAR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171925,30357,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171925,30357,DPR
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171926,30357,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,171926,30357,DGL
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171927,30357,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,171927,30357,DGN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171944,30358,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171944,30358,DPR
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171945,30358,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,171945,30358,DGN
(2R)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171946,30358,DHI
3-(1H-imidazol-3-ium-4-yl)-D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,171946,30358,DHI
(2R)-2-amino-4-methyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171963,30359,DLE
D-leucine,SYSTEMATIC NAME,ACDLabs,10.04,171963,30359,DLE
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171964,30359,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171964,30359,DPR
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171965,30359,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,171965,30359,DTH
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171966,30359,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,171966,30359,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,171996,30360,DVA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,171997,30360,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,171997,30360,DAL
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171998,30360,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,171998,30360,DPR
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,171999,30360,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,171999,30360,DGL
(2R)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172000,30360,DHI
3-(1H-imidazol-3-ium-4-yl)-D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,172000,30360,DHI
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172018,30361,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,172018,30361,DSN
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172019,30361,DTY
D-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,172019,30361,DTY
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172020,30361,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,172020,30361,DAL
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172021,30361,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,172021,30361,DCY
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172022,30361,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,172022,30361,DLY
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172023,30361,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,172023,30361,DPR
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172041,30362,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,172041,30362,DGL
"(2R)-2,6-diaminohexanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172042,30362,DLY
D-lysine,SYSTEMATIC NAME,ACDLabs,10.04,172042,30362,DLY
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172043,30362,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,172043,30362,DPR
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172044,30362,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,172044,30362,DVA
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172062,30363,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,172062,30363,DSG
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172063,30363,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,172063,30363,DCY
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172064,30363,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,172064,30363,DPR
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172065,30363,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,172065,30363,DVA
(2R)-2-amino-3-(1H-imidazol-3-ium-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172083,30364,DHI
3-(1H-imidazol-3-ium-4-yl)-D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,172083,30364,DHI
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172084,30364,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,172084,30364,DAS
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172085,30364,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,172085,30364,DSN
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172086,30364,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,172086,30364,DGL
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172087,30364,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,172087,30364,DGN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172105,30365,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,172105,30365,DPR
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172106,30365,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,172106,30365,DTH
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172107,30365,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,172107,30365,DAS
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172124,30366,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,172124,30366,DPR
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172125,30366,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,172125,30366,DTH
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172126,30366,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,172126,30366,DAS
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,172306,30376,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172306,30376,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,172325,30377,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172325,30377,NH2
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172384,30380,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,172384,30380,DPN
(2~{S})-3-(1~{H}-indol-3-yl)-2-(methylamino)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,172403,30381,E9M
N-methyl-L-tryptophan,SYSTEMATIC NAME,ACDLabs,12.01,172403,30381,E9M
(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172404,30381,MMO
N~2~-methyl-L-arginine,SYSTEMATIC NAME,ACDLabs,12.01,172404,30381,MMO
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172405,30381,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,172405,30381,DPN
(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172423,30382,MMO
N~2~-methyl-L-arginine,SYSTEMATIC NAME,ACDLabs,12.01,172423,30382,MMO
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172424,30382,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,172424,30382,DPN
(2~{S})-3-(1~{H}-imidazol-5-yl)-2-(methylamino)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,172442,30383,E9V
N-methyl-L-histidine,SYSTEMATIC NAME,ACDLabs,12.01,172442,30383,E9V
(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,172443,30383,MMO
N~2~-methyl-L-arginine,SYSTEMATIC NAME,ACDLabs,12.01,172443,30383,MMO
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172444,30383,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,172444,30383,DPN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,172504,30388,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172504,30388,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,172624,30396,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172624,30396,NH2
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,172711,30400,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172711,30400,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172712,30400,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,172712,30400,17F
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,172713,30400,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172713,30400,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,172714,30400,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172714,30400,MG
"5-bromanyl-~{N}-[(2~{S},4~{R})-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-1~{H}-indole-3-carboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,172715,30400,EWS
"5-bromo-N-{(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-yl}-1H-indole-3-carboxamide",SYSTEMATIC NAME,ACDLabs,12.01,172715,30400,EWS
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,172737,30401,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172737,30401,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172738,30401,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,172738,30401,17F
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,172739,30401,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172739,30401,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,172740,30401,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172740,30401,MG
"8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium",SYSTEMATIC NAME,ACDLabs,12.01,172762,30402,EWV
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,172787,30403,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172787,30403,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,172788,30403,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,172788,30403,17F
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,172789,30403,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172789,30403,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,172790,30403,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172790,30403,MG
"5-bromanyl-~{N}-[(2~{S},4~{R})-2-[(4-chlorophenyl)methyl]piperidin-4-yl]-1~{H}-indole-3-carboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,172791,30403,EWS
"5-bromo-N-{(2S,4R)-2-[(4-chlorophenyl)methyl]piperidin-4-yl}-1H-indole-3-carboxamide",SYSTEMATIC NAME,ACDLabs,12.01,172791,30403,EWS
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172830,30405,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,172830,30405,HYP
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172955,30411,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,172955,30411,NLE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,172990,30413,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,172990,30413,NLE
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,173008,30414,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173008,30414,DAB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173183,30424,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173183,30424,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,173184,30424,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173184,30424,ACE
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,173208,30425,PX4
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173208,30425,PX4
sodium,SYSTEMATIC NAME,ACDLabs,10.04,173209,30425,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173209,30425,NA
chloride,SYSTEMATIC NAME,ACDLabs,10.04,173210,30425,CL
chloride,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173210,30425,CL
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174589,30498,NH2
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,173232,30426,PX4
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173232,30426,PX4
sodium,SYSTEMATIC NAME,ACDLabs,10.04,173233,30426,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173233,30426,NA
chloride,SYSTEMATIC NAME,ACDLabs,10.04,173234,30426,CL
chloride,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173234,30426,CL
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,173316,30431,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,173316,30431,DPN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173527,30443,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173527,30443,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173589,30446,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173589,30446,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173604,30447,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173604,30447,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173619,30448,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173619,30448,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173635,30449,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173635,30449,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173671,30451,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173671,30451,NH2
[azanyl-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,173694,30452,4J5
amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,12.01,173694,30452,4J5
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,173695,30452,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173695,30452,DAB
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,173696,30452,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,173696,30452,DPR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,173719,30453,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173719,30453,ACE
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173720,30453,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,173720,30453,DAL
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173721,30453,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,173721,30453,NVA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,173722,30453,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,173722,30453,NH2
2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,174176,30478,2VN
2-[4-[2-[4-cyclohexylbutyl(cyclohexylcarbamoyl)amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,174176,30478,2VN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174197,30479,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174197,30479,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174255,30482,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174255,30482,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174277,30483,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174277,30483,NH2
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174345,30486,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174345,30486,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174362,30487,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174362,30487,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174379,30488,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174379,30488,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174396,30489,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174396,30489,DPR
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174413,30490,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174413,30490,DPR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,174431,30491,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174431,30491,ZN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174548,30496,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174548,30496,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174549,30496,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174549,30496,NH2
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174550,30496,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,174550,30496,AIB
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,174566,30497,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,174566,30497,ORN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174567,30497,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174567,30497,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174568,30497,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174568,30497,NH2
(3S)-3-aminohexanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,174584,30498,B3E
(3S)-3-aminohexanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174584,30498,B3E
"(3S)-3,7-diaminoheptanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,174585,30498,B3K
"(3S)-3,7-diaminoheptanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174585,30498,B3K
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174586,30498,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,174586,30498,MVA
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174587,30498,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,174587,30498,AIB
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174588,30498,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174588,30498,DPR
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174589,30498,NH2
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174605,30499,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,174605,30499,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174606,30499,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174606,30499,NH2
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174607,30499,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,174607,30499,AIB
(2S)-3-methyl-2-(methylamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,174608,30499,MVA
N-methyl-L-valine,SYSTEMATIC NAME,ACDLabs,12.01,174608,30499,MVA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,174648,30501,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174648,30501,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,174671,30502,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174671,30502,ZN
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174672,30502,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,174672,30502,ALY
"5'-3,6-dihydrocytidylic acid",SYSTEMATIC NAME,ACDLabs,12.01,174848,30511,RY
"[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,174848,30511,RY
"5'-3,6-dihydrocytidylic acid",SYSTEMATIC NAME,ACDLabs,12.01,174871,30512,RY
"[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,174871,30512,RY
yttrium,SYSTEMATIC NAME,ACDLabs,10.04,174929,30515,YT3
yttrium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174929,30515,YT3
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,174949,30516,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,174949,30516,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,175002,30518,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175002,30518,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175022,30519,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,175022,30519,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175023,30519,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175023,30519,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175123,30524,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175123,30524,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,175207,30529,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175207,30529,CA
N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175208,30529,WW7
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide,SYSTEMATIC NAME,ACDLabs,10.04,175208,30529,WW7
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175314,30534,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,175314,30534,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175315,30534,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175315,30534,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175334,30535,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,175334,30535,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175335,30535,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175335,30535,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175354,30536,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,175354,30536,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175355,30536,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175355,30536,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,175416,30543,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175416,30543,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175445,30544,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175445,30544,NH2
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",SYSTEMATIC NAME,ACDLabs,10.04,175545,30550,ACD
"(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175545,30550,ACD
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175694,30557,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175694,30557,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,175711,30558,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175711,30558,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,175942,30571,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,175942,30571,ZN
"3,6-bis[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9~{H}-carbazole",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,176066,30577,BO6
zinc,SYSTEMATIC NAME,ACDLabs,10.04,176177,30585,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176177,30585,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,176178,30585,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176178,30585,ACE
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176179,30585,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,176179,30585,ALY
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,176180,30585,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176180,30585,NH2
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,176320,30594,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,176320,30594,ORN
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,176337,30595,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176337,30595,DAB
phosphonate,SYSTEMATIC NAME,ACDLabs,10.04,176355,30596,2PO
"(2S)-2,3-bis(azanyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,176466,30601,DPP
3-amino-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,176466,30601,DPP
"(3R,4R)-3-amino-4-hydroxy-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177344,30644,B3T
"(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide",SYSTEMATIC NAME,ACDLabs,12.01,176655,30610,N8J
"(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,176655,30610,N8J
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,176726,30615,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176726,30615,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,176758,30616,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176758,30616,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,176789,30617,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176789,30617,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,176808,30618,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176808,30618,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,176904,30623,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,176904,30623,ZN
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,177022,30630,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177022,30630,DBB
(2S)-2-azanylbutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,177023,30630,IAS
L-aspartic acid,SYSTEMATIC NAME,ACDLabs,12.01,177023,30630,IAS
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,177041,30631,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177041,30631,DBB
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,177208,30639,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177208,30639,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177209,30639,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,177209,30639,17F
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,177210,30639,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177210,30639,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,177211,30639,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177211,30639,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177212,30639,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177212,30639,ZN
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,177246,30640,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177246,30640,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177247,30640,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,177247,30640,17F
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,177248,30640,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177248,30640,GNP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,177249,30640,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177249,30640,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177250,30640,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177250,30640,ZN
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,177278,30641,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,177278,30641,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177279,30641,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177279,30641,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177280,30641,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,177280,30641,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177281,30641,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177281,30641,ZN
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177299,30642,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,177299,30642,AIB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177300,30642,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177300,30642,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177301,30642,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,177301,30642,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177302,30642,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177302,30642,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177320,30643,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177320,30643,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177321,30643,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,177321,30643,NLE
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177322,30643,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,177322,30643,ORN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177323,30643,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177323,30643,ZN
(2~{S})-2-(methylamino)hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,177341,30644,9KK
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177342,30644,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,177342,30644,AIB
3-aminopentanedioic acid,SYSTEMATIC NAME,ACDLabs,12.01,177343,30644,B3D
3-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,177343,30644,B3D
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184864,34266,NH2
"3-amino-2,3,5-trideoxy-D-threo-pentonic acid",SYSTEMATIC NAME,ACDLabs,10.04,177344,30644,B3T
(3S)-3-amino-6-carbamimidamido-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177345,30644,HMR
(3S)-3-amino-6-carbamimidamidohexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,177345,30644,HMR
(2S)-5-carbamimidamido-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,177346,30644,MMO
N~2~-methyl-L-arginine,SYSTEMATIC NAME,ACDLabs,12.01,177346,30644,MMO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177347,30644,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177347,30644,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177348,30644,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177348,30644,ZN
"1-methyl-1,2,3-triazole",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,177515,30654,WMH
"1-methyl-1H-1,2,3-triazole",SYSTEMATIC NAME,ACDLabs,12.01,177515,30654,WMH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177611,30658,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177611,30658,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177634,30659,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177634,30659,ZN
"1-methyl-1,2,3-triazole",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,177840,30669,WMH
"1-methyl-1H-1,2,3-triazole",SYSTEMATIC NAME,ACDLabs,12.01,177840,30669,WMH
"1-methyl-1,2,3-triazole",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,177860,30670,WMH
"1-methyl-1H-1,2,3-triazole",SYSTEMATIC NAME,ACDLabs,12.01,177860,30670,WMH
"1-methyl-1,2,3-triazole",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,177880,30671,WMH
"1-methyl-1H-1,2,3-triazole",SYSTEMATIC NAME,ACDLabs,12.01,177880,30671,WMH
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177920,30673,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177920,30673,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177921,30673,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,177921,30673,NLE
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177922,30673,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,177922,30673,NVA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177923,30673,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177923,30673,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,177941,30674,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177941,30674,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177942,30674,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,177942,30674,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,177943,30674,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,177943,30674,ZN
"(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178104,30688,3D1
2'-deoxyadenosine,SYSTEMATIC NAME,ACDLabs,10.04,178104,30688,3D1
2'-deoxy-5'-guanylic acid,SYSTEMATIC NAME,ACDLabs,12.01,178105,30688,DGP
"[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,178105,30688,DGP
"(2S)-2,3-bis(azanyl)propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,178125,30690,DPP
3-amino-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,178125,30690,DPP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178185,30694,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,178185,30694,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,178186,30694,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178186,30694,MG
(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide,SYSTEMATIC NAME,ACDLabs,12.01,178187,30694,QPD
(2~{R})-2-[2-(1~{H}-indol-3-ylcarbonyl)hydrazinyl]-2-phenyl-ethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,178187,30694,QPD
"(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide)",SYSTEMATIC NAME,ACDLabs,12.01,178273,30698,QSV
1-methyl-3-[(~{E})-1-[8-[(~{E})-~{C}-methyl-~{N}-[(~{N}-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylideneamino]guanidine,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,178273,30698,QSV
4-[(3-methoxyphenyl)amino]-2-methyl-quinoline-6-carboximidamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,178298,30699,MQC
4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide,SYSTEMATIC NAME,ACDLabs,12.01,178298,30699,MQC
"N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium",SYSTEMATIC NAME,ACDLabs,12.01,178335,30700,QSY
"cyclohexyl-[3-(8-methoxy-4-oxidanylidene-5~{H}-pyrimido[5,4-b]indol-3-yl)propyl]-methyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,178335,30700,QSY
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178356,30702,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178356,30702,ABA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178357,30702,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,178357,30702,DAL
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,178358,30702,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178358,30702,DBU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,178422,30705,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178422,30705,ZN
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178500,30710,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178500,30710,ABA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178501,30710,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,178501,30710,DAL
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,178502,30710,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178502,30710,DBU
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,178503,30710,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178503,30710,DHA
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178542,30712,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178542,30712,DBB
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178563,30713,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,178563,30713,DAL
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178564,30713,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178564,30713,DBB
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,178565,30713,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178565,30713,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178586,30714,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,178586,30714,DAL
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178587,30714,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178587,30714,DBB
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178609,30718,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,178609,30718,DAL
"[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,178684,30723,8NK
7-methylguanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,178703,30724,M7G
"[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178703,30724,M7G
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,178744,30727,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178744,30727,NH2
(2~{S})-2-azanyl-3-(2-azanylhydrazinyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,178770,30729,RVJ
3-triazan-1-yl-L-alanine,SYSTEMATIC NAME,ACDLabs,12.01,178770,30729,RVJ
(2S)-2-aminopent-4-enoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178771,30729,2AG
(2S)-2-azanylpent-4-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,178771,30729,2AG
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,178815,30734,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178815,30734,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178816,30734,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,178816,30734,17F
5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,178817,30734,GSP
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178817,30734,GSP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,178818,30734,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178818,30734,MG
"(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,178841,30735,PCW
"2-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178841,30735,PCW
"(2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178842,30735,17F
"O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine",SYSTEMATIC NAME,ACDLabs,12.01,178842,30735,17F
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178843,30735,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,178843,30735,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,178844,30735,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178844,30735,MG
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,178863,30738,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,178863,30738,MYR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,178970,30744,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178970,30744,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,178989,30745,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,178989,30745,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179026,30748,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,179026,30748,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179047,30749,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,179047,30749,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,179066,30750,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179066,30750,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,179129,30758,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179129,30758,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,179269,30774,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179269,30774,CA
7-[(5-chloranylnaphthalen-1-yl)sulfonylamino]heptanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,179270,30774,V8Y
7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,179270,30774,V8Y
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179361,30789,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,179361,30789,DAL
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,179362,30789,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,179362,30789,DBB
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,179363,30789,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179363,30789,DBU
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179588,316,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,179588,316,AAC
(2S)-2-amino-4-methylpentan-1-ol,SYSTEMATIC NAME,ACDLabs,12.01,180957,34060,DCL
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179589,316,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179604,317,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,179604,317,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179605,317,HEC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,179632,321,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179632,321,NH2
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,179683,329,SAC
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179683,329,SAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179698,330,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,179699,330,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179699,330,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179713,331,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,179714,331,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179714,331,M3L
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179764,336,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,179764,336,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179765,336,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,179780,337,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,179820,3394,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,179820,3394,ACE
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180104,34014,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,180104,34014,PCA
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,180124,34015,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,180124,34015,MYR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,180159,34017,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180159,34017,ACE
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180160,34017,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,180160,34017,DCY
zinc,SYSTEMATIC NAME,ACDLabs,10.04,180195,34019,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180195,34019,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,180196,34019,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180196,34019,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,180316,34028,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180316,34028,ZN
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,180335,34029,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,180335,34029,MYR
"(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene",SYSTEMATIC NAME,ACDLabs,10.04,180356,34030,FAR
"(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180356,34030,FAR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,180376,34031,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180376,34031,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,180377,34031,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180377,34031,NH2
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180396,34032,0A1
O-methyl-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,180396,34032,0A1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,180397,34032,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180397,34032,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,180398,34032,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180398,34032,NH2
(2S)-2-azanyl-3-(4-methylphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,180417,34033,4PH
4-methyl-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,180417,34033,4PH
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,180418,34033,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180418,34033,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,180419,34033,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180419,34033,NH2
"(2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate",SYSTEMATIC NAME,ACDLabs,10.04,180478,34036,PGM
"[(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxy-propyl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180478,34036,PGM
(2S)-2-acetamidopentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180556,3404,NLG
N-acetyl-L-glutamic acid,SYSTEMATIC NAME,ACDLabs,10.04,180556,3404,NLG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,180557,3404,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180557,3404,NH2
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180587,34041,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,180587,34041,TPO
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180639,34044,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,180639,34044,FME
2'-deoxy-5'-inosinic acid,SYSTEMATIC NAME,ACDLabs,10.04,180872,34056,DI
"[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180872,34056,DI
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180919,34058,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,180919,34058,SEP
(2S)-2-azanyl-4-methyl-pentan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,180957,34060,DCL
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,180958,34060,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180958,34060,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180959,34060,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,180959,34060,AIB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,180979,34061,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,180979,34061,ZN
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,181005,34062,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,181005,34062,GF2
"2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181024,34063,GF0
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,181025,34063,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,181025,34063,GF2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,181044,34064,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,181067,34065,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181067,34065,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181068,34065,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,181068,34065,AIB
(2S)-2-amino-4-methylpentan-1-ol,SYSTEMATIC NAME,ACDLabs,12.01,181069,34065,DCL
(2S)-2-azanyl-4-methyl-pentan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,181069,34065,DCL
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,181087,34066,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181087,34066,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181088,34066,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,181088,34066,AIB
(2S)-2-amino-4-methylpentan-1-ol,SYSTEMATIC NAME,ACDLabs,12.01,181089,34066,DCL
(2S)-2-azanyl-4-methyl-pentan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,181089,34066,DCL
(2S)-2-amino-3-(4-hydroxyphenyl)propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181144,34069,TYC
L-tyrosinamide,SYSTEMATIC NAME,ACDLabs,10.04,181144,34069,TYC
"1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",SYSTEMATIC NAME,ACDLabs,10.04,181182,34071,TAF
"[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181182,34071,TAF
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,181201,34072,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181201,34072,CD
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,181245,34074,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181245,34074,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,181263,34075,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181263,34075,NH2
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,181281,34076,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181281,34076,CD
4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,181304,34077,Z90
zinc,SYSTEMATIC NAME,ACDLabs,10.04,181410,34082,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181410,34082,ZN
potassium,SYSTEMATIC NAME,ACDLabs,10.04,181488,34086,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181488,34086,K
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,181594,34090,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181594,34090,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,181610,34091,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181610,34091,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,181626,34092,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181626,34092,NH2
"(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,181643,34093,UU3
"(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,181643,34093,UU3
zinc,SYSTEMATIC NAME,ACDLabs,10.04,181665,34094,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181665,34094,ZN
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181666,34094,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,181666,34094,HOH
(3~{S})-3-azanyl-4-(carboxyamino)butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181667,34094,OUD
(4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181668,34094,OUE
[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181669,34094,OUH
"[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181670,34094,OUI
[(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181671,34094,OUK
[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,181672,34094,OUR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,181810,34102,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,181810,34102,ZN
(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,181884,34105,GSH
L-gamma-glutamyl-L-cysteinylglycine,SYSTEMATIC NAME,ACDLabs,12.01,181884,34105,GSH
"[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182097,34118,8YN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,182115,34119,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182115,34119,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,184864,34266,NH2
(2S)-2-(hexadecanoylamino)pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.9.2,182116,34119,D6M
N-hexadecanoyl-L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,182116,34119,D6M
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182117,34119,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,182117,34119,DSN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,182153,34121,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182153,34121,ZN
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182226,34125,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,182226,34125,HOH
6-aminohexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,182308,34130,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182308,34130,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,182357,34132,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182357,34132,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,182374,34133,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182374,34133,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,182391,34134,ACA
6-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182391,34134,ACA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,182459,34138,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182459,34138,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,182460,34138,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182460,34138,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,182641,34149,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182641,34149,ZN
"5-methyl-1,3-thiazole-4-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182771,34157,9T5
4-amino-1-methyl-1H-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182772,34157,PYB
4-amino-1-methyl-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182772,34157,PYB
4-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,182773,34157,ABU
4-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,182773,34157,ABU
4-amino-1-methyl-1H-imidazole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182774,34157,IMT
4-amino-1-methyl-imidazole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182774,34157,IMT
3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182775,34157,9T8
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,182776,34157,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182776,34157,DCZ
"5-propan-2-yl-1,3-thiazole-4-carbaldehyde",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182801,34158,9U2
4-amino-1-methyl-1H-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182802,34158,PYB
4-amino-1-methyl-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182802,34158,PYB
4-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,182803,34158,ABU
4-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,182803,34158,ABU
4-amino-1-methyl-1H-imidazole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182804,34158,IMT
4-amino-1-methyl-imidazole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182804,34158,IMT
3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182805,34158,9T8
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,182806,34158,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182806,34158,DCZ
1-methylimidazole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182831,34159,9TK
4-amino-1-methyl-1H-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182832,34159,PYB
4-amino-1-methyl-pyrrole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182832,34159,PYB
4-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,182833,34159,ABU
4-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,182833,34159,ABU
4-amino-1-methyl-1H-imidazole-2-carboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182834,34159,IMT
4-amino-1-methyl-imidazole-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182834,34159,IMT
3-(3-azaniumylpropanoylamino)propyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182835,34159,9T8
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,182836,34159,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182836,34159,DCZ
calcium,SYSTEMATIC NAME,ACDLabs,10.04,182880,34161,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182880,34161,CA
2'-deoxy-5'-cytidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,182902,34162,DNR
"[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182902,34162,DNR
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182903,34162,THM
thymidine,SYSTEMATIC NAME,ACDLabs,10.04,182903,34162,THM
(2R)-2-amino-3-methyl-3-sulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182958,34165,LE1
3-sulfanyl-L-valine,SYSTEMATIC NAME,ACDLabs,10.04,182958,34165,LE1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,182959,34165,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182959,34165,ACE
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,182960,34165,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,182960,34165,DCY
(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,182961,34165,NAL
(2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,182961,34165,NAL
[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,182980,34166,9XQ
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,183019,34168,BGM
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183019,34168,BGM
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,183074,34171,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183074,34171,PSU
2'-deoxyguanosine,SYSTEMATIC NAME,ACDLabs,10.04,183093,34172,GNG
"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183093,34172,GNG
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,183131,34174,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183131,34174,GFL
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183275,34183,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,183275,34183,HYP
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,183330,34186,BGM
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183330,34186,BGM
5'-O-thiophosphonouridine,SYSTEMATIC NAME,ACDLabs,10.04,183562,34199,U37
"[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183562,34199,U37
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,183755,34210,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183755,34210,GFL
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,183823,34213,MK8
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,183823,34213,MK8
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,183824,34213,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183824,34213,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,183825,34213,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183825,34213,ACE
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,183843,34214,MK8
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,183843,34214,MK8
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,183844,34214,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183844,34214,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,183845,34214,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183845,34214,ACE
(2S)-2-azanyl-2-methyl-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,183863,34215,MK8
2-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,12.01,183863,34215,MK8
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,183864,34215,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183864,34215,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,183865,34215,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183865,34215,ACE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,183900,34217,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,183900,34217,ZN
[8-(aminomethyl)anthracen-1-yl]methanamine,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,183987,34221,D5B
(2R)-2-azanyl-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,184006,34222,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,12.01,184006,34222,DPN
1-aminocyclopentanecarboxylic acid,SYSTEMATIC NAME,ACDLabs,12.01,184007,34222,AC5
1-azanylcyclopentane-1-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,184007,34222,AC5
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,184008,34222,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184008,34222,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,184068,34225,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184068,34225,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,184091,34226,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184091,34226,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,184176,34231,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184176,34231,ZN
(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,184197,34232,TYS
O-sulfo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,12.01,184197,34232,TYS
zinc,SYSTEMATIC NAME,ACDLabs,10.04,184221,34233,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184221,34233,ZN
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184350,34240,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,184350,34240,HOH
mercury,SYSTEMATIC NAME,ACDLabs,10.04,184391,34244,HG
mercury(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184391,34244,HG
mercury,SYSTEMATIC NAME,ACDLabs,10.04,184414,34245,HG
mercury(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184414,34245,HG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,184640,34257,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184640,34257,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,184667,34258,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184667,34258,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,184782,34262,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184782,34262,CA
(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,184820,34264,EVT
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184821,34264,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,184821,34264,AIB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,184822,34264,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184822,34264,NH2
(2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,184862,34266,EVT
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184863,34266,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,184863,34266,AIB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,184882,34267,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184882,34267,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,184899,34268,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,184899,34268,PCA
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185039,34276,EAN
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185040,34276,F4Q
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185041,34276,TCJ
"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,185042,34276,TCY
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185064,34277,EAN
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185065,34277,F4Q
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185066,34277,TCJ
"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,185067,34277,TCY
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185126,34280,EAN
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185127,34280,F4Q
"4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185128,34280,F7H
"[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185129,34280,TCJ
"(2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,185130,34280,TCY
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,185169,34282,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185169,34282,CD
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,185290,34288,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185290,34288,CD
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,185317,34289,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185317,34289,CD
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185347,34290,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,185347,34290,ATP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,185348,34290,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185348,34290,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,185432,34293,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185432,34293,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,185472,34295,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185472,34295,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185473,34295,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185473,34295,NH2
~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazole-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185496,34296,FGW
(2S)-2-acetamido-5-(2-phosphonoethanoylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185497,34296,PA9
N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine,SYSTEMATIC NAME,ACDLabs,10.04,185497,34296,PA9
octan-1-amine,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185634,34303,FKZ
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185635,34303,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185635,34303,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185675,34305,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185675,34305,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185692,34306,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185692,34306,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,185735,34308,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185735,34308,ZN
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185736,34308,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,185736,34308,HOH
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,185776,34311,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185776,34311,PSU
"2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,185797,34312,GDZ
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,185798,34312,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185798,34312,PSU
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185834,34314,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185834,34314,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185851,34315,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185851,34315,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185868,34316,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185868,34316,NH2
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,185907,34319,E9M
N-methyl-L-tryptophan,SYSTEMATIC NAME,ACDLabs,12.01,185907,34319,E9M
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,185924,34320,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185924,34320,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,185925,34320,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185925,34320,NH2
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,185985,34323,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,185985,34323,PSU
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,186006,34324,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186006,34324,PSU
"[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,186064,34328,DP
"[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,186065,34328,DZ
zinc,SYSTEMATIC NAME,ACDLabs,10.04,186116,34330,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186116,34330,ZN
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,186137,34331,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186137,34331,8OG
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,186154,34332,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186154,34332,8OG
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,186251,34337,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186251,34337,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,186252,34337,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186252,34337,NH2
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,186285,34339,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,186285,34339,ABA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,186286,34339,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186286,34339,NH2
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186287,34339,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,186287,34339,NLE
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186394,34345,AAR
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,186394,34345,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186411,34346,AAR
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,186411,34346,AAR
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186412,34346,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,186412,34346,PCA
"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide",SYSTEMATIC NAME,ACDLabs,10.04,186431,34347,AZM
"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186431,34347,AZM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,186432,34347,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186432,34347,ZN
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186481,3435,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186481,3435,AYA
[(2~{S})-1-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propan-2-yl] dihydrogen phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,186553,34353,J32
zinc,SYSTEMATIC NAME,ACDLabs,10.04,186591,34355,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186591,34355,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,186615,34356,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186615,34356,CD
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186691,3436,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186691,3436,AYA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186706,34360,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186706,34360,DAL
(2S)-2-amino-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186763,34363,DCY
D-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,186763,34363,DCY
"[(3~{S},5~{S})-5-carboxypyrrolidin-3-yl]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,186799,34366,JKH
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,186800,34366,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186800,34366,NH2
"(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,186818,34367,PH6
(4S)-4-cyclohexyl-L-proline,SYSTEMATIC NAME,ACDLabs,12.01,186818,34367,PH6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,186819,34367,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186819,34367,NH2
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186838,34369,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186838,34369,DAL
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186855,3437,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186855,3437,AYA
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,186870,34370,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,186870,34370,DBB
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186887,34371,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186887,34371,DAL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186904,34372,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186904,34372,DAL
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,186905,34372,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186905,34372,DHA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186922,34373,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186922,34373,DAL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186939,34374,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,186939,34374,DAL
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,186940,34374,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186940,34374,DBU
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,186941,34374,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,186941,34374,DHA
"3,3-bis(chloranyl)-2,4-diazonia-3$l^{4}-platinabicyclo[3.2.2]nonane",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,186976,34378,LN8
6-(hydroxymethyl)-3-oxidanyl-2-(thiophen-3-ylmethyl)pyran-4-one,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,186996,34379,JPT
(2S)-2-amino-4-sulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187017,34380,HCS
L-homocysteine,SYSTEMATIC NAME,ACDLabs,10.04,187017,34380,HCS
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187071,34384,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,187071,34384,PTR
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,187111,34387,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,187111,34387,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,187129,34388,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,187129,34388,ABA
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,187146,34389,BGM
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187146,34389,BGM
8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,187165,34390,BGM
"[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187165,34390,BGM
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,187184,34391,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187184,34391,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,187185,34391,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187185,34391,NH2
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187263,34395,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,187263,34395,TPO
2'-deoxycytidine,SYSTEMATIC NAME,ACDLabs,10.04,187310,34397,DCZ
"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187310,34397,DCZ
3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,187311,34397,K4Z
"5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,187382,34400,BTN
"5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,ACDLabs,12.01,187382,34400,BTN
5-azanylpentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,187383,34400,KFB
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,187441,34403,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,187441,34403,GF2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,187539,34409,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187539,34409,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,187841,34424,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187841,34424,CA
"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187921,34428,ADN
adenosine,SYSTEMATIC NAME,ACDLabs,10.04,187921,34428,ADN
potassium,SYSTEMATIC NAME,ACDLabs,10.04,187993,34431,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,187993,34431,K
"~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,188066,34435,LWQ
potassium,SYSTEMATIC NAME,ACDLabs,10.04,188181,34441,K
potassium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188181,34441,K
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,188220,34444,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,188220,34444,GF2
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,188221,34444,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188221,34444,GFL
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,188241,34445,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,188241,34445,GF2
"2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,188242,34445,GFL
"[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188242,34445,GFL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,188462,34461,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188462,34461,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,188924,34496,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188924,34496,CA
2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,12.01,188996,34499,GF2
"[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,188996,34499,GF2
"2-amino-9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,188997,34499,LCG
"[(1R,4R,6R,7S)-6-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,188997,34499,LCG
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,189017,345,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189018,345,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,189018,345,M3L
"2-amino-9-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,189058,34502,LCG
"[(1R,4R,6R,7S)-6-(2-amino-6-oxo-1H-purin-9-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189058,34502,LCG
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,189177,346,HEC
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189178,346,M3L
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,189178,346,M3L
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189205,3471,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,189205,3471,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189219,3472,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,189219,3472,AYA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,189413,36,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189413,36,NH2
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189440,36000,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,189440,36000,ALY
calcium,SYSTEMATIC NAME,ACDLabs,10.04,189488,36005,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189488,36005,CA
terbium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189489,36005,TB
terbium(3+),SYSTEMATIC NAME,ACDLabs,10.04,189489,36005,TB
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189509,36006,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,189509,36006,ALY
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189533,36007,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,189533,36007,ALY
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189557,36008,ALY
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,189557,36008,ALY
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189581,36009,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,189581,36009,DSN
sodium,SYSTEMATIC NAME,ACDLabs,10.04,189749,36020,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189749,36020,NA
sodium,SYSTEMATIC NAME,ACDLabs,10.04,189786,36022,NA
sodium(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,189786,36022,NA
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190077,36051,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,190077,36051,MAN
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190098,36052,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,190098,36052,MAN
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190119,36053,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,190119,36053,MAN
"(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,190140,36054,BGC
beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,190140,36054,BGC
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190161,36055,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,190161,36055,MAN
"(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190182,36056,MAN
alpha-D-mannopyranose,SYSTEMATIC NAME,ACDLabs,10.04,190182,36056,MAN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,190294,36062,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190294,36062,ZN
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190552,36081,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,190552,36081,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190569,36082,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,190569,36082,SEP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,190636,36086,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,190636,36086,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,191113,36143,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191113,36143,ZN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191229,36157,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,191229,36157,DAL
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,191230,36157,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,191230,36157,DBB
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,191231,36157,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191231,36157,DBU
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191246,36158,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,191246,36158,DAL
(2R)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,191247,36158,DBB
(2R)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,191247,36158,DBB
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,191248,36158,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191248,36158,DBU
"4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,191264,36159,9F0
"4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline",SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,191287,36160,9F0
8-methoxy-6-methyl-1~{H}-quinolin-4-one,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,191346,36163,MQO
8-methoxy-6-methylquinolin-4(1H)-one,SYSTEMATIC NAME,ACDLabs,12.01,191346,36163,MQO
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,191390,36166,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191390,36166,GNP
3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,191391,36166,KBF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,191392,36166,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191392,36166,MG
(2E)-1-(2-hydroxyphenyl)-3-(pyridin-3-yl)prop-2-en-1-one,SYSTEMATIC NAME,ACDLabs,12.01,191481,36172,9F6
(~{E})-1-(2-hydroxyphenyl)-3-pyridin-3-yl-prop-2-en-1-one,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,191481,36172,9F6
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,191555,36177,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,191555,36177,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,192033,367,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,192048,369,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,192207,39,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192207,39,ACE
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192221,390,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,192221,390,SAC
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,192430,4019,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192430,4019,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,192503,4024,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192503,4024,ZN
"[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192520,4027,TMP
5'-thymidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,192520,4027,TMP
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192521,4027,NDP
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,192572,4030,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192572,4030,MYR
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,192689,4038,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,192689,4038,HEM
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,192690,4038,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192690,4038,CMO
calcium,SYSTEMATIC NAME,ACDLabs,10.04,192733,4041,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192733,4041,CA
"(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192850,4049,FCB
6-deoxy-beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,10.04,192850,4049,FCB
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,192881,4050,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192881,4050,FE2
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,192896,4051,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192896,4051,FE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,192931,4053,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192931,4053,CA
"[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192932,4053,THP
"thymidine 3',5'-bis(dihydrogen phosphate)",SYSTEMATIC NAME,ACDLabs,10.04,192932,4053,THP
N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,192982,4056,WW7
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide,SYSTEMATIC NAME,ACDLabs,10.04,192982,4056,WW7
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,193052,4061,PP9
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,193053,4061,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193053,4061,CMO
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,193071,4062,PP9
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,193072,4062,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193072,4062,CMO
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,193131,4066,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193131,4066,FE
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193147,4067,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,193147,4067,PCA
2-phosphonooxyethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193204,407,PGA
(phosphonooxy)acetic acid,SYSTEMATIC NAME,ACDLabs,10.04,193204,407,PGA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,193205,407,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193205,407,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193235,4071,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,193235,4071,PCA
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193267,4073,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,193267,4073,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,193291,4074,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193291,4074,FE
(2S)-2-amino-3-(3H-imidazol-4-yl)propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193368,408,HIA
L-histidinamide,SYSTEMATIC NAME,ACDLabs,10.04,193368,408,HIA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,193432,4083,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193432,4083,MG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,193511,4088,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193511,4088,NH2
nickel(2+),SYSTEMATIC NAME,ACDLabs,10.04,193526,4089,NI
nickel(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193526,4089,NI
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,193675,4099,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193675,4099,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,193676,4099,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193676,4099,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,193677,4099,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193677,4099,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,193745,4102,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193745,4102,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,193797,4105,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,193797,4105,CA
(2S)-2-acetamido-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194185,4129,SAC
N-acetyl-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,194185,4129,SAC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,194186,4129,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194186,4129,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,194218,4130,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,194234,4131,HEC
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,194332,4137,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194332,4137,FE2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194349,4138,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,194349,4138,PCA
hexadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,194423,4142,PLM
hexadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194423,4142,PLM
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194486,4146,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,194486,4146,FME
gallium,SYSTEMATIC NAME,ACDLabs,10.04,194531,4149,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194531,4149,GA
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194581,4151,FME
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,194581,4151,FME
(2S)-2-aminopentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194613,4153,NVA
L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,194613,4153,NVA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,194614,4153,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194614,4153,ZN
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194634,4154,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,194634,4154,FES
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194651,4155,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,194651,4155,PCA
butanedioic acid,SYSTEMATIC NAME,ACDLabs,12.01,194819,4164,SIN
butanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,194819,4164,SIN
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,194820,4164,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,194820,4164,ORN
"(2S,3S)-2-azanyl-3-oxidanyl-butanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,194821,4164,BHD
(3S)-3-hydroxy-L-aspartic acid,SYSTEMATIC NAME,ACDLabs,12.01,194821,4164,BHD
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,194822,4164,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194822,4164,DAB
(2S)-2-azanyl-5-(oxidanylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,194823,4164,ONH
N~5~-hydroxy-L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,194823,4164,ONH
"(1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",SYSTEMATIC NAME,ACDLabs,10.04,194824,4164,CHR
gallium,SYSTEMATIC NAME,ACDLabs,10.04,194825,4164,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194825,4164,GA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,194863,4166,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194863,4166,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,194883,4167,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194883,4167,CA
butanedioic acid,SYSTEMATIC NAME,ACDLabs,12.01,194916,4169,SIN
butanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,194916,4169,SIN
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,194917,4169,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,194917,4169,ORN
"(2S,3S)-2-azanyl-3-oxidanyl-butanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,194918,4169,BHD
(3S)-3-hydroxy-L-aspartic acid,SYSTEMATIC NAME,ACDLabs,12.01,194918,4169,BHD
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,194919,4169,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194919,4169,DAB
(2S)-2-azanyl-5-(oxidanylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,194920,4169,ONH
N~5~-hydroxy-L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,194920,4169,ONH
"(1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",SYSTEMATIC NAME,ACDLabs,10.04,194921,4169,CHR
2'-deoxy-2-oxoadenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,194951,4170,IGU
"[(2R,3S,5R)-5-(6-amino-2-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,194951,4170,IGU
cyclohexanaminium,SYSTEMATIC NAME,ACDLabs,10.04,195008,4173,HAI
cyclohexylazanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195008,4173,HAI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,195009,4173,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195009,4173,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,195035,4174,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195035,4174,MG
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195152,4181,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,195152,4181,FES
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,195173,4182,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195173,4182,FE2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,195205,4184,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195205,4184,CA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195240,4185,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,195240,4185,PCA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,195312,4189,HEC
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195345,4190,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,195345,4190,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195359,4191,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,195359,4191,PCA
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,195373,4192,3NF
N-acetyl-L-tyrosine,SYSTEMATIC NAME,ACDLabs,12.01,195373,4192,3NF
2-aminoethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195374,4192,GM1
glycinamide,SYSTEMATIC NAME,ACDLabs,10.04,195374,4192,GM1
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195390,4193,AP5
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,195418,4194,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,195418,4194,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195419,4194,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195419,4194,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,195520,420,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195520,420,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195521,420,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195521,420,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,195537,4200,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195537,4200,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195538,4200,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195538,4200,NH2
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,195557,4201,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195557,4201,ABA
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,195575,4202,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195575,4202,CU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,195576,4202,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195576,4202,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195595,4203,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195595,4203,NH2
(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,195596,4203,3NF
N-acetyl-L-tyrosine,SYSTEMATIC NAME,ACDLabs,12.01,195596,4203,3NF
(2S)-2-amino-3-hydroxy-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195597,4203,SET
L-serinamide,SYSTEMATIC NAME,ACDLabs,10.04,195597,4203,SET
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,195702,4208,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,195702,4208,HEM
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195797,4212,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,195797,4212,AAC
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195810,4213,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,195810,4213,DSN
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195811,4213,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,195811,4213,DGN
(2R)-2-amino-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195812,4213,DVA
D-valine,SYSTEMATIC NAME,ACDLabs,10.04,195812,4213,DVA
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,195813,4213,DAR
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195813,4213,DAR
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195814,4213,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,195814,4213,DAS
(2R)-2-amino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195815,4213,DPN
D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,195815,4213,DPN
(2R)-2-amino-4-methyl-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195816,4213,DLE
D-leucine,SYSTEMATIC NAME,ACDLabs,10.04,195816,4213,DLE
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195817,4213,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,195817,4213,DAL
(2R)-pyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,195818,4213,DPR
D-proline,SYSTEMATIC NAME,ACDLabs,12.01,195818,4213,DPR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195819,4213,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195819,4213,NH2
2-(2-methylpropyl)propanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195820,4213,LML
(2-methylpropyl)propanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,195820,4213,LML
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,195899,4218,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195899,4218,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,195914,4219,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195914,4219,CA
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,195932,422,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,195932,422,CY3
(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,196034,4225,GSH
L-gamma-glutamyl-L-cysteinylglycine,SYSTEMATIC NAME,ACDLabs,12.01,196034,4225,GSH
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196125,423,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,196125,423,CY3
"3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine",SYSTEMATIC NAME,ACDLabs,10.04,196142,4230,ASH
"3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-yl-imidazo[2,1-c]pyrazin-8-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,196142,4230,ASH
"4-[[(8R,9S,10R,13S,14S,17R)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196143,4230,NTH
"4-oxo-4-{[(9beta,10alpha,13alpha,14beta,17alpha)-3-oxoestr-4-en-17-yl]oxy}butanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,196143,4230,NTH
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196251,4236,NAP
3'-thymidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,196405,4244,ATD
"[(2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196405,4244,ATD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,196530,4249,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196530,4249,ZN
(2S)-pyrrolidine-2-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196740,4260,LPD
L-prolinamide,SYSTEMATIC NAME,ACDLabs,10.04,196740,4260,LPD
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,196741,4260,NAG
"N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,196741,4260,NAG
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,196760,4261,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,196760,4261,NAG
"2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium",SYSTEMATIC NAME,ACDLabs,10.04,196776,4262,TMQ
"5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazolin-1-ium-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196776,4262,TMQ
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196804,4263,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,196804,4263,PTR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,196974,4270,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196974,4270,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,196991,4271,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,196991,4271,CA
4-(aminomethyl)cyclohexane-1-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197059,4276,AMH
trans-4-(aminomethyl)cyclohexanecarboxylic acid,SYSTEMATIC NAME,ACDLabs,10.04,197059,4276,AMH
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,197105,4279,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197105,4279,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197121,428,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,197121,428,PCA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,197228,4284,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197228,4284,CA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197349,429,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,197349,429,PCA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,197382,4291,HEC
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197560,430,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,197560,430,PCA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,197577,4300,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197577,4300,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,197671,4306,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197671,4306,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,197760,4310,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197760,4310,CA
nickel(2+),SYSTEMATIC NAME,ACDLabs,10.04,197818,4313,NI
nickel(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197818,4313,NI
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,197861,4315,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197861,4315,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,197952,4319,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197952,4319,FE
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,197991,4320,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,197991,4320,FE2
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,198015,4321,COA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198015,4321,COA
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198144,4329,NAP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,198209,4332,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198209,4332,CA
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198210,4332,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,198210,4332,HOH
calcium,SYSTEMATIC NAME,ACDLabs,10.04,198255,4335,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198255,4335,CA
"5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,198310,4337,LPA
"5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198310,4337,LPA
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,198415,4341,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198415,4341,FE
oxidane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198416,4341,HOH
water,SYSTEMATIC NAME,ACDLabs,10.04,198416,4341,HOH
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,198540,4347,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198540,4347,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,198541,4347,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198541,4347,NH2
4-nitrophenol,SYSTEMATIC NAME,ACDLabs,10.04,198584,4349,NPO
4-nitrophenol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198584,4349,NPO
"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,198694,4354,BCD
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198794,436,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,198794,436,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,198795,436,HEC
"(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198831,4361,1GL
"2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,198831,4361,1GL
"4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,12.01,198832,4361,2GL
"[(2R,3R,4R,6R)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,198832,4361,2GL
"4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,198833,4361,1AR
"[(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198833,4361,1AR
"(2R,4R,5S,6R)-6-methyloxane-2,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,198834,4361,DDA
"2,6-dideoxy-beta-D-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,12.01,198834,4361,DDA
"(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose",SYSTEMATIC NAME,ACDLabs,10.04,198835,4361,DXB
"(3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198835,4361,DXB
cobalt(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198836,4361,CO
cobalt(2+),SYSTEMATIC NAME,ACDLabs,10.04,198836,4361,CO
"(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198855,4362,1GL
"2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,198855,4362,1GL
"4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,12.01,198856,4362,2GL
"[(2R,3R,4R,6R)-2-methyl-4,6-bis(oxidanyl)oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,198856,4362,2GL
"4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,198857,4362,1AR
"[(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198857,4362,1AR
"(2R,4R,5S,6R)-6-methyloxane-2,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,198858,4362,DDA
"2,6-dideoxy-beta-D-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,12.01,198858,4362,DDA
"(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose",SYSTEMATIC NAME,ACDLabs,10.04,198859,4362,DXB
"(3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198859,4362,DXB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,198860,4362,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198860,4362,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,198876,4363,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198876,4363,CD
"6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine",SYSTEMATIC NAME,ACDLabs,10.04,198900,4364,PNU
"6-chloro-2-[(1S)-1-furo[3,2-d]pyridin-5-ylethyl]sulfanyl-pyrimidin-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198900,4364,PNU
"6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine",SYSTEMATIC NAME,ACDLabs,10.04,198919,4365,PNU
"6-chloro-2-[(1S)-1-furo[3,2-d]pyridin-5-ylethyl]sulfanyl-pyrimidin-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198919,4365,PNU
"6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine",SYSTEMATIC NAME,ACDLabs,10.04,198940,4366,PNU
"6-chloro-2-[(1S)-1-furo[3,2-d]pyridin-5-ylethyl]sulfanyl-pyrimidin-4-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,198940,4366,PNU
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199020,437,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,199020,437,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,199021,437,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,199182,4378,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199182,4378,CA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199225,438,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,199225,438,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,199226,438,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,199241,4380,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199241,4380,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,199277,4382,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199277,4382,ZN
"(5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid",SYSTEMATIC NAME,ACDLabs,10.04,199294,4383,E2P
"(Z)-7-[2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]hept-5-enoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199294,4383,E2P
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199429,439,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,199429,439,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,199430,439,HEC
2-[[4-[[4-[(4-formamido-1-methyl-imidazol-2-yl)carbonylamino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-imidazol-2-yl]carbonylamino]ethyl-dimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199472,4392,AR1
"2-({[4-({[4-({[4-(formylamino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-1-methyl-1H-imidazol-2-yl]carbonyl}amino)-N,N-dimethylethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,199472,4392,AR1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,199575,4398,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199575,4398,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,199576,4398,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199576,4398,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,199591,4399,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199591,4399,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199764,4406,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,199764,4406,HYP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199765,4406,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,199765,4406,DTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,199766,4406,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199766,4406,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199804,4408,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,199804,4408,HYP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199805,4408,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,199805,4408,DTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,199806,4408,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199806,4408,NH2
"[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199823,4409,64T
5-hydroxythymidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,199823,4409,64T
"[(2R,3S,5R)-3-hydroxy-5-[(3R,4S)-3-methyl-6-oxo-1,5-diazabicyclo[2.2.0]hexan-5-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199824,4409,TA3
"(4S,5R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,199824,4409,TA3
"[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199897,4412,PBT
5'-thymidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,199897,4412,PBT
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,199949,4414,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,199949,4414,CU1
"[(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,199968,4415,TTD
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,200101,4420,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200101,4420,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,200152,4423,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200152,4423,ZN
"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200234,4426,BTN
"5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,200234,4426,BTN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,200451,4435,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,200474,4436,HEC
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200560,4439,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,200560,4439,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200588,4440,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,200588,4440,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,200603,4441,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200603,4441,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,200618,4442,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200618,4442,FES
N~6~-acetyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,200653,4444,ALY
(2S)-6-acetamido-2-amino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200653,4444,ALY
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,200654,4444,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,200654,4444,FES
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,201085,4462,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201085,4462,CD
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201139,4464,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,201139,4464,HYP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201140,4464,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,201140,4464,DTR
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,201157,4465,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201157,4465,CU1
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,201181,4466,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201181,4466,CU1
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201235,4468,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,201235,4468,HYP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201236,4468,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,201236,4468,DTR
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201251,4469,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,201251,4469,HYP
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201252,4469,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,201252,4469,DTR
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,201302,4471,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,201302,4471,HEM
beryllium difluoride,SYSTEMATIC NAME,ACDLabs,10.04,201335,4472,BF2
difluoroberyllium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201335,4472,BF2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,201379,4475,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201379,4475,CA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201395,4476,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,201395,4476,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,201410,4477,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201410,4477,SEP
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,201452,4483,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201452,4483,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201453,4483,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201453,4483,NH2
"[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201501,4488,64T
5-hydroxythymidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,201501,4488,64T
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201517,449,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201517,449,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,201560,4492,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201560,4492,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,201676,4498,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201676,4498,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201704,450,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201704,450,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201718,4500,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201718,4500,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201741,4503,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201741,4503,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201821,451,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201821,451,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,201868,4514,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201868,4514,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,201941,452,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201941,452,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,201978,4524,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,201978,4524,CA
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,202048,4528,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202048,4528,PO4
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202070,453,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202070,453,NH2
"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202085,4536,DUR
2'-deoxyuridine,SYSTEMATIC NAME,ACDLabs,10.04,202085,4536,DUR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202107,454,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202107,454,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202134,4541,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202134,4541,NH2
2'-deoxy-5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,202152,4542,DU
"[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202152,4542,DU
"[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202175,4547,T3P
3'-thymidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,202175,4547,T3P
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202203,455,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202203,455,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202253,4552,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202253,4552,NH2
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,202275,4553,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202275,4553,MG
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202304,4554,NDP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,202424,4559,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202424,4559,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202450,456,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202450,456,NH2
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide,SYSTEMATIC NAME,ACDLabs,10.04,202593,4565,I52
N-[4-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxo-butan-2-yl]-(2-morpholin-4-ylethyl)sulfamoyl]phenyl]-4-pentyl-benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202593,4565,I52
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,202618,4566,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202618,4566,FES
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202695,457,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202695,457,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,202727,4571,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202727,4571,ZN
N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide,SYSTEMATIC NAME,ACDLabs,12.01,202802,4575,NOV
"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]carbonylamino]-8-methyl-2-oxo-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-oxan-4-yl] carbamate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,202802,4575,NOV
5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,10.04,202824,4576,A
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202824,4576,A
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,202886,4578,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,202915,4579,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202915,4579,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,202948,458,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,202948,458,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203142,459,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203142,459,NH2
"(1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate",SYSTEMATIC NAME,ACDLabs,10.04,203196,4592,PT5
"[1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-octadecanoyloxy-propan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203196,4592,PT5
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203355,460,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203355,460,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,203370,4600,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203370,4600,ZN
(2R)-2-amino-2-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203385,4601,DIV
D-isovaline,SYSTEMATIC NAME,ACDLabs,10.04,203385,4601,DIV
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,203386,4601,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203386,4601,ACE
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203387,4601,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,203387,4601,AIB
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203388,4601,PHL
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,203388,4601,PHL
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203389,4601,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,203389,4601,HYP
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,203409,4602,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,203409,4602,HEM
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,203446,4604,AIB
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203446,4604,AIB
D-isovaline,SYSTEMATIC NAME,ACDLabs,10.04,203447,4604,DIV
(2R)-2-amino-2-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203447,4604,DIV
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,203448,4604,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203448,4604,ACE
(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,203449,4604,TPL
(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203449,4604,TPL
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203499,461,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203499,461,NH2
"(3S)-3-amino-5,5-difluoro-2-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203598,4617,FKI
"(3S)-3-amino-5,5-difluoro-2-oxopentanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,203598,4617,FKI
zinc,SYSTEMATIC NAME,ACDLabs,10.04,203599,4617,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203599,4617,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,203629,4619,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203629,4619,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203648,462,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203648,462,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,203676,4621,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203676,4621,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203736,463,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203736,463,NH2
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,203751,4630,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,203751,4630,NAG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203920,464,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203920,464,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,203934,4640,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,203934,4640,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,204000,4644,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204000,4644,ZN
"[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,ACDLabs,10.04,204040,4646,2AR
"[(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204040,4646,2AR
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,204041,4646,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204041,4646,8OG
"(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204063,4647,BAP
"(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",SYSTEMATIC NAME,ACDLabs,10.04,204063,4647,BAP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204120,465,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204120,465,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204239,466,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204239,466,NH2
"4-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]butanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,204306,4666,SNR
"4-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204306,4666,SNR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204363,467,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204363,467,NH2
"N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine",SYSTEMATIC NAME,ACDLabs,10.04,204414,4673,GCH
"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204414,4673,GCH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,204478,4677,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204478,4677,ZN
N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide,SYSTEMATIC NAME,ACDLabs,10.04,204513,4679,WAY
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204513,4679,WAY
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204528,468,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204528,468,NH2
retinol,SYSTEMATIC NAME,ACDLabs,10.04,204580,4682,RTL
"(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204580,4682,RTL
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,204621,4684,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204621,4684,CD
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204731,469,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204731,469,NH2
5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,204745,4692,5MC
"[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204745,4692,5MC
2'-deoxy-5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,204746,4692,DU
"[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204746,4692,DU
5'-cytidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,204747,4692,CH
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204747,4692,CH
"[3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipropanoato(2-)]iron",SYSTEMATIC NAME,ACDLabs,12.01,204783,4695,HEA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204863,470,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204863,470,NH2
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,204878,4700,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204878,4700,GNP
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,204922,4702,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204922,4702,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,204923,4702,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204923,4702,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,204924,4702,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,204924,4702,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,205007,4707,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205007,4707,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,205036,4708,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205036,4708,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,205063,4709,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205063,4709,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,205087,471,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205087,471,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,205106,4710,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205106,4710,ZN
"1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,205150,4712,SCR
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206731,4782,CA
"[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205150,4712,SCR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,205303,472,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205303,472,NH2
"(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,205355,4722,SKM
"(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205355,4722,SKM
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,205415,4725,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205415,4725,CD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,205502,4729,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205502,4729,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,205530,473,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205530,473,NH2
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,205697,4738,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205697,4738,CU
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,205698,4738,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205698,4738,CU1
calcium,SYSTEMATIC NAME,ACDLabs,10.04,205716,4739,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205716,4739,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,205739,474,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205739,474,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,205845,4743,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,205874,4744,HEC
"4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,205912,4746,1AR
"[(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205912,4746,1AR
"2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,205913,4746,1GL
"(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205913,4746,1GL
"4-O-acetyl-2,6-dideoxy-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,205914,4746,2GL
"[(2R,3R,4R,6S)-4,6-dihydroxy-2-methyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205914,4746,2GL
"2,6-dideoxy-beta-D-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,205915,4746,DDA
"(2R,4R,5S,6R)-6-methyloxane-2,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205915,4746,DDA
"(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose",SYSTEMATIC NAME,ACDLabs,10.04,205916,4746,DXB
"(3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205916,4746,DXB
cobalt(2+),SYSTEMATIC NAME,ACDLabs,10.04,205917,4746,CO
cobalt(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205917,4746,CO
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,205959,4747,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205959,4747,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,205960,4747,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,205960,4747,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,206048,475,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206048,475,NH2
"4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,206135,4753,1AR
"[(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206135,4753,1AR
"2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,206136,4753,1GL
"(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206136,4753,1GL
"4-O-acetyl-2,6-dideoxy-alpha-D-lyxo-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,206137,4753,2GL
"[(2R,3R,4R,6S)-4,6-dihydroxy-2-methyl-oxan-3-yl] ethanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206137,4753,2GL
"2,6-dideoxy-beta-D-arabino-hexopyranose",SYSTEMATIC NAME,ACDLabs,10.04,206138,4753,DDA
"(2R,4R,5S,6R)-6-methyloxane-2,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206138,4753,DDA
"(1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose",SYSTEMATIC NAME,ACDLabs,10.04,206139,4753,DXB
"(3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206139,4753,DXB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,206140,4753,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206140,4753,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,206162,4754,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206162,4754,CD
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,206245,4759,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,206245,4759,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,206300,4761,HEC
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,206465,4770,GDP
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206465,4770,GDP
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,206590,4777,HEC
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,206624,4778,GNP
"[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206624,4778,GNP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,206731,4782,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,206791,4786,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206791,4786,ZN
"(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(1R,2S,3S)-4-{[(1S,2R)-1-{[2-(4-{[3-(dimethyl-lambda~4~-sulfanyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]carbamoyl}-2-hydroxypropyl]amino}-2-hydroxy-1,3-dimethyl-4-oxobutyl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,206792,4786,BLM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,206874,4789,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,206874,4789,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,207100,4798,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,207100,4798,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,207119,4799,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,207119,4799,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,207120,4799,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,207120,4799,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207163,4800,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207188,4801,HEC
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207236,4803,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207236,4803,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207282,4805,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207282,4805,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207283,4805,HEC
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207305,4806,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207305,4806,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207327,4807,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207327,4807,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207351,4808,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207351,4808,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207352,4808,HEC
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207376,4809,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207376,4809,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207377,4809,HEC
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,207414,4810,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,207414,4810,HEM
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,207415,4810,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,207659,4823,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,207659,4823,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,207861,4834,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,207861,4834,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208041,4842,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208041,4842,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208093,4845,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208093,4845,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208108,4846,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208108,4846,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208123,4847,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208123,4847,NH2
"(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,208139,4848,S3P
"(3R,4S,5R)-4,5-dihydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208139,4848,S3P
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208246,4853,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208246,4853,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,208316,4856,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208316,4856,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,208370,4859,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208370,4859,CU1
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208427,4862,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,208427,4862,AIB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208428,4862,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208428,4862,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,208643,4872,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208643,4872,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,208644,4872,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208644,4872,ACE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,208737,4876,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208737,4876,CA
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,208873,4881,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208873,4881,FMN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,208922,4884,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208922,4884,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,208997,4887,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,208997,4887,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,209060,4890,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209060,4890,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,209225,4898,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209225,4898,ZN
4-O-beta-D-galactopyranosyl-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,209487,4909,LAT
"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209487,4909,LAT
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,209646,4916,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209646,4916,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,209765,4921,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209765,4921,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,209844,4925,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209844,4925,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,209909,4928,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,209909,4928,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,210148,4939,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210148,4939,ZN
"(6S,11R,18aR,18bR)-21-chloro-18a-{[4,6-dideoxy-4-(dimethylamino)-5-methyl-beta-D-allopyranosyl]oxy}-3-hydroxy-11-{[(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)carbonyl]oxy}-8-oxo-7,8,10,11,18a,18b-hexahydro-6H-2,5-etheno-12,15-(metheno)pentaleno[1,2-b][1,9]dioxacyclohexadecin-6-aminium",SYSTEMATIC NAME,ACDLabs,10.04,210335,4947,ROM
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,210386,4950,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210386,4950,NH2
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,210407,4951,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210407,4951,MYR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,210408,4951,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210408,4951,NH2
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,210477,4954,RBF
"7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210477,4954,RBF
(2R)-2-amino-3-phosphonosulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210496,4955,CSP
S-phosphono-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,210496,4955,CSP
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,210615,4960,HEC
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,210635,4961,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,210635,4961,PTR
"(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211030,4975,GLC
alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,211030,4975,GLC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,211108,4978,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211108,4978,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,211154,498,HEC
(2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,211173,4980,GSH
L-gamma-glutamyl-L-cysteinylglycine,SYSTEMATIC NAME,ACDLabs,12.01,211173,4980,GSH
2-sulfanylethanol,SYSTEMATIC NAME,ACDLabs,10.04,211224,4982,BME
2-sulfanylethanol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211224,4982,BME
aminoacetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,211254,4983,GLZ
2-aminoethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211254,4983,GLZ
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,211295,4985,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211295,4985,FMN
"(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211347,4987,MLR
alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,211347,4987,MLR
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211418,499,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,211418,499,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,211419,499,HEC
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,211463,4992,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211463,4992,FES
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,211490,4993,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211490,4993,ACE
(2R)-2-amino-2-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211491,4993,DIV
D-isovaline,SYSTEMATIC NAME,ACDLabs,10.04,211491,4993,DIV
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211492,4993,AIB
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,211492,4993,AIB
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211493,4993,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,211493,4993,HYP
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211494,4993,PHL
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,211494,4993,PHL
"(6R)-5-{1-[(3,4-dimethoxyphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one",SYSTEMATIC NAME,ACDLabs,10.04,211516,4994,EMD
"(6R)-5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211516,4994,EMD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,211517,4994,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211517,4994,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,211698,500,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211698,500,ACE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,211699,500,HEC
2-chloranyl-5-nitro-~{N}-pyridin-4-yl-benzamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.6,211736,50000,EEY
2-chloro-5-nitro-N-(pyridin-4-yl)benzamide,SYSTEMATIC NAME,ACDLabs,12.01,211736,50000,EEY
"9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)",SYSTEMATIC NAME,ACDLabs,11.02,211754,50001,C2E
2-[(4Z)-2-[(1S)-1-azanylethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,211859,50010,PIA
"[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,211859,50010,PIA
2-[(4Z)-2-[(1S)-1-azanylethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,211875,50011,PIA
"[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid",SYSTEMATIC NAME,ACDLabs,12.01,211875,50011,PIA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,211891,50012,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211891,50012,ZN
"(2S,3R)-4-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,211906,50013,1RG
"(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,211906,50013,1RG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,211907,50013,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,211907,50013,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,212169,5005,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,212405,50093,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,212405,50093,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,212645,50108,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,212645,50108,ZN
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213341,50172,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213341,50172,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213358,50173,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213358,50173,GDP
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213375,50174,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213375,50174,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213390,50175,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213390,50175,GDP
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213405,50176,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213405,50176,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213420,50177,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213420,50177,GDP
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213435,50178,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213435,50178,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213450,50179,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213450,50179,GDP
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213484,50180,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213484,50180,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213499,50181,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213499,50181,GDP
"[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213514,50182,GTP
octadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,216931,5083,STE
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213514,50182,GTP
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213529,50183,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,213529,50183,GDP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,213570,50187,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213570,50187,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,213609,50191,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213609,50191,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,213679,5020,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213679,5020,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,213680,5020,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213680,5020,NH2
(2R)-2-methylamino-3-phenyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213699,50202,ZAE
N-methyl-D-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,213699,50202,ZAE
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213700,50202,DAR
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,213700,50202,DAR
"(2R,3S)-2-azanyl-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213701,50202,28J
D-alloisoleucine,SYSTEMATIC NAME,ACDLabs,12.01,213701,50202,28J
"(2R,3S)-2-amino-3-hydroxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213702,50202,DTH
D-threonine,SYSTEMATIC NAME,ACDLabs,10.04,213702,50202,DTH
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213703,50202,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,213703,50202,DAL
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,213704,50202,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,213704,50202,DGL
(2S)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,213705,50202,GGL
L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,213705,50202,GGL
"(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213706,50202,MUB
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,213706,50202,MUB
MurNAc,SNFG CARBOHYDRATE SYMBOL,GMML,1.0,213706,50202,MUB
a-D-GlcpNAc3<C3O2>,IUPAC CARBOHYDRATE SYMBOL,PDB-CARE,1.0,213706,50202,MUB
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,213707,50202,NAG
DGlcpNAcb,CONDENSED IUPAC CARBOHYDRATE SYMBOL,GMML,1.0,213707,50202,NAG
GlcNAc,SNFG CARBOHYDRATE SYMBOL,GMML,1.0,213707,50202,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,213707,50202,NAG
N-acetyl-b-D-glucopyranosamine,COMMON NAME,GMML,1.0,213707,50202,NAG
b-D-GlcpNAc,IUPAC CARBOHYDRATE SYMBOL,PDB-CARE,1.0,213707,50202,NAG
"2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,10.04,213725,50203,PCG
"2-amino-9-[(4R,6S,7R,8R)-4,7-dihydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1H-purin-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213725,50203,PCG
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,213821,5021,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213821,5021,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,213822,5021,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213822,5021,NH2
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,213855,50212,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213855,50212,MG
phosphate,SYSTEMATIC NAME,ACDLabs,10.04,213856,50212,PO4
phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213856,50212,PO4
zinc,SYSTEMATIC NAME,ACDLabs,10.04,213998,50220,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,213998,50220,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,214139,50241,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214139,50241,CA
2'-deoxy-5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,214155,50242,DU
"[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214155,50242,DU
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine,SYSTEMATIC NAME,ACDLabs,12.01,214173,50243,ANP
"[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,214173,50243,ANP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,214174,50243,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214174,50243,MG
"1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,214226,50246,38T
5-methyluridine,SYSTEMATIC NAME,ACDLabs,12.01,214226,50246,38T
"1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",SYSTEMATIC NAME,ACDLabs,10.04,214241,50247,LLT
"1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214241,50247,LLT
(3S)-3-aminodihydrofuran-2(3H)-one,SYSTEMATIC NAME,ACDLabs,10.04,214285,5025,HSL
(3S)-3-aminooxolan-2-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214285,5025,HSL
7-methylguanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,214311,50250,MGP
"[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-7-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214311,50250,MGP
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,214403,5026,HEC
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,214404,5026,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214404,5026,CYN
"[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,214425,50260,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,214425,50260,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,214426,50260,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214426,50260,MG
(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.7,214457,50262,UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,214457,50262,UED
5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine,SYSTEMATIC NAME,ACDLabs,10.04,214517,50267,GSP
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214517,50267,GSP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,214518,50267,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214518,50267,MG
2'-deoxy-5-formylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,214670,50278,5FC
"[(2R,3S,5R)-5-(4-amino-5-methanoyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214670,50278,5FC
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214738,50298,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,214738,50298,TPO
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,214739,50298,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,214739,50298,SEP
gallium,SYSTEMATIC NAME,ACDLabs,10.04,215080,50333,GA
gallium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215080,50333,GA
"N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)",SYSTEMATIC NAME,ACDLabs,12.01,215081,50333,LCM
"N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-2,3-bis(oxidanyl)benzamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,215081,50333,LCM
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,215433,50369,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215433,50369,MG
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215498,50385,ATP
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,215498,50385,ATP
2-(phosphonooxy)prop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,215513,50386,PEP
2-phosphonooxyprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215513,50386,PEP
(2S)-2-amino-3-(1-phosphonoimidazol-4-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215514,50386,NEP
1-phosphono-L-histidine,SYSTEMATIC NAME,ACDLabs,10.04,215514,50386,NEP
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,215547,50388,APR
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215547,50388,APR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,215635,50405,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215635,50405,ZN
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide,SYSTEMATIC NAME,ACDLabs,10.04,215847,50455,78P
2-[(2R)-2-methylpyrrolidin-2-yl]-3H-benzimidazole-4-carboxamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,215847,50455,78P
4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one,SYSTEMATIC NAME,ACDLabs,12.01,215869,50456,09L
4-[[3-(4-cyclopropylcarbonylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,215869,50456,09L
"(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one",SYSTEMATIC NAME,ACDLabs,12.01,215891,50457,2YQ
"2-(4-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}piperazin-1-yl)-N-[(4Z)-1-oxo-1,2-dihydro-4H-isoindol-4-ylidene]acetamide (non-preferred name)",SYSTEMATIC NAME,ACDLabs,12.01,215913,50458,UHB
"2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,215913,50458,UHB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,216017,50463,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216017,50463,NH2
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216107,505,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,216107,505,AYA
(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,216303,5057,SME
(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216303,5057,SME
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216366,506,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,216366,506,AYA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,216481,5065,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216481,5065,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,216513,5066,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216513,5066,CD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,216634,5071,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216634,5071,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,216827,5079,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,216827,5079,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,216870,5080,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,216870,5080,HEM
octadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,216931,5083,STE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,217007,5086,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,217026,5087,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,217044,5088,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,217063,5089,HEC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217080,509,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217080,509,NH2
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,217108,5091,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,217108,5091,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,217204,5096,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217204,5096,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,217270,5099,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217270,5099,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,217271,5099,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217271,5099,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217297,510,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217297,510,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,217313,5100,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217313,5100,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,217487,5108,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217487,5108,ACE
3-ammonio-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,217488,5108,DNP
[(2S)-2-amino-3-hydroxy-3-oxo-propyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217488,5108,DNP
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,217506,5109,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217506,5109,ACE
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,217507,5109,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217507,5109,DAB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217525,511,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217525,511,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,217540,5110,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217540,5110,ACE
(2R)-2-(aminomethyl)-3-sulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217541,5110,BCX
(2R)-3-amino-2-(sulfanylmethyl)propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,217541,5110,BCX
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,217560,5111,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217560,5111,ACE
(2S)-2-(aminomethyl)-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217561,5111,BSE
(2S)-3-amino-2-(hydroxymethyl)propanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,217561,5111,BSE
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217580,5112,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,217580,5112,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217581,5112,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217581,5112,NH2
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217605,5113,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,217605,5113,HYP
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217606,5113,AAR
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,217606,5113,AAR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217759,512,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217759,512,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,217962,513,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,217962,513,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,218101,5136,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218101,5136,ACE
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,218102,5136,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218102,5136,DAB
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,218120,5137,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218120,5137,ACE
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,SYSTEMATIC NAME,ACDLabs,10.04,218121,5137,DAP
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218121,5137,DAP
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,218139,5138,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218139,5138,ACE
3-ammonio-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,218140,5138,DNP
[(2S)-2-amino-3-hydroxy-3-oxo-propyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218140,5138,DNP
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,218158,5139,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218158,5139,ACE
3-ammonio-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,218159,5139,DNP
[(2S)-2-amino-3-hydroxy-3-oxo-propyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218159,5139,DNP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,218177,514,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218177,514,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,218191,5140,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218191,5140,ACE
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,218192,5140,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218192,5140,DAB
zinc,SYSTEMATIC NAME,ACDLabs,10.04,218305,5147,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218305,5147,ZN
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,218329,5148,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218329,5148,FES
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,218383,515,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218383,515,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,218463,5153,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218463,5153,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,218464,5153,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218464,5153,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,218545,5156,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218545,5156,CA
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,218563,5157,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218563,5157,AAR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,218707,5163,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,218707,5163,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219017,5179,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219017,5179,NH2
(2S)-2-amino-6-[2-(2-aminooxyethanoylamino)ethanoylamino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219112,5183,CLG
N~6~-{N-[(aminooxy)acetyl]glycyl}-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,219112,5183,CLG
(2S)-2-amino-6-[2-(oxaldehydoylamino)ethanoylamino]hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219113,5183,CLH
N~6~-[N-(oxoacetyl)glycyl]-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,219113,5183,CLH
3-sulfanylpropanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,219114,5183,MPT
3-sulfanylpropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219114,5183,MPT
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,219115,5183,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219115,5183,ABA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219116,5183,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219116,5183,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219293,5192,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219293,5192,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,219331,5194,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219331,5194,CA
amino{[(4R)-4-amino-4-carboxybutyl]amino}methaniminium,SYSTEMATIC NAME,ACDLabs,10.04,219356,5196,DAR
[amino-[[(4R)-4-amino-5-hydroxy-5-oxo-pentyl]amino]methylidene]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219356,5196,DAR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219357,5196,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219357,5196,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,219453,5201,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219453,5201,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219454,5201,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219454,5201,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,219499,5203,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219499,5203,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,219564,5206,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219564,5206,CA
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,219705,5212,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219705,5212,PTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219706,5212,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219706,5212,NH2
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219729,5213,CU1
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,219729,5213,CU1
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,219750,5214,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219750,5214,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219751,5214,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219751,5214,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,219776,5215,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219776,5215,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219777,5215,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219777,5215,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,219797,5216,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219797,5216,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,219798,5216,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219798,5216,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,219855,5219,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,219855,5219,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,220303,5239,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,220303,5239,HEM
2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine,SYSTEMATIC NAME,ACDLabs,10.04,220442,5245,CMR
"[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220442,5245,CMR
2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine,SYSTEMATIC NAME,ACDLabs,10.04,220443,5245,RMP
"[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220443,5245,RMP
L-alloisoleucine,SYSTEMATIC NAME,ACDLabs,10.04,220467,5246,IIL
"(2S,3R)-2-amino-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220467,5246,IIL
calcium,SYSTEMATIC NAME,ACDLabs,10.04,220491,5247,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220491,5247,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,220540,5249,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220540,5249,ZN
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,226045,5511,GDP
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-methylbutylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220689,5259,6IA
N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,220689,5259,6IA
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,220714,5260,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220714,5260,FE2
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,220893,5269,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,220893,5269,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,220940,5271,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220940,5271,ZN
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,220941,5271,FE2
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,220941,5271,FE2
5'-cytidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,221107,5278,CH
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221107,5278,CH
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,221129,5279,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,221223,5283,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221223,5283,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,221224,5283,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221224,5283,NH2
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,221288,5286,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221288,5286,AYA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,221289,5286,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221289,5286,NH2
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,221326,5288,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221326,5288,PTR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,221453,5294,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221453,5294,ZN
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221599,53,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,221599,53,PCA
2-(acetylamino)-2-deoxy-alpha-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,221664,5301,A2G
"N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,221664,5301,A2G
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,221665,5301,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221665,5301,ACE
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,221732,5304,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,221732,5304,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,221780,5306,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221780,5306,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,221838,5309,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221838,5309,ZN
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,221890,5310,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221890,5310,PTR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,221938,5312,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221938,5312,ZN
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,221974,5314,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,221974,5314,PTR
retinol,SYSTEMATIC NAME,ACDLabs,10.04,222091,5319,RTL
"(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222091,5319,RTL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,222285,5327,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222285,5327,ZN
retinol,SYSTEMATIC NAME,ACDLabs,10.04,222374,5331,RTL
"(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222374,5331,RTL
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,222401,5332,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222401,5332,MYR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,222402,5332,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222402,5332,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,222423,5333,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,222423,5333,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,222472,5335,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222472,5335,ZN
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,222492,5337,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222492,5337,FES
zinc,SYSTEMATIC NAME,ACDLabs,10.04,222599,5342,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222599,5342,ZN
samarium(3+),SYSTEMATIC NAME,ACDLabs,10.04,222648,5344,SM
samarium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222648,5344,SM
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,222707,5347,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,222707,5347,MG
"1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,222786,5351,MTN
"S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",SYSTEMATIC NAME,ACDLabs,12.01,222786,5351,MTN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,223025,5363,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223025,5363,ZN
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,223134,5368,GDP
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223134,5368,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,223135,5368,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223135,5368,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,223151,5369,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223151,5369,ZN
dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[3-[[1-methyl-4-[3-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]propanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223189,5370,P11
"N,N-dimethyl-3-{[3-({[1-methyl-4-({[1-methyl-4-({3-[({1-methyl-4-[(3-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}propanoyl)amino]-1H-imidazol-2-yl}carbonyl)amino]propanoyl}amino)-1H-imidazol-2-yl]carbonyl}amino)-1H-pyrrol-2-yl]carbonyl}amino)propanoyl]amino}propan-1-aminium (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,223189,5370,P11
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,223228,5372,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,223332,5377,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223332,5377,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,223333,5377,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223333,5377,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,223334,5377,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223334,5377,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,223380,5379,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223380,5379,NH2
(2S)-4-methyl-2-(methylamino)pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,223442,5383,MLE
N-methyl-L-leucine,SYSTEMATIC NAME,ACDLabs,12.01,223442,5383,MLE
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223457,5384,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,223457,5384,PCA
N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline,SYSTEMATIC NAME,ACDLabs,10.04,223489,5386,BEP
N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223489,5386,BEP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,223490,5386,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223490,5386,CA
"(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,223697,5394,PSU
"[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223697,5394,PSU
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223742,5396,NAP
"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,223743,5396,TOP
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223743,5396,TOP
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223934,5403,TRP
L-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,223934,5403,TRP
(2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide,SYSTEMATIC NAME,ACDLabs,10.04,223950,5404,BB2
(2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]-2-pentyl-butanediamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,223950,5404,BB2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,224002,5406,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,224405,543,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,224405,543,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,224406,543,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,224561,544,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,224561,544,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,224562,544,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,224717,545,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,224717,545,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,224718,545,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,224907,546,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,224907,546,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,224908,546,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,224994,5464,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,224994,5464,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,225037,5466,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,225037,5466,HEM
(2S)-2-amino-3-(4-hydroxyphenyl)propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,225330,548,TYC
L-tyrosinamide,SYSTEMATIC NAME,ACDLabs,10.04,225330,548,TYC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,225358,5480,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,225358,5480,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,225443,5483,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,225443,5483,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,225923,5505,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,225923,5505,CU1
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226045,5511,GDP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,226046,5511,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226046,5511,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,226433,5525,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226433,5525,ZN
2'-O-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226530,5530,OMC
"[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226530,5530,OMC
2'-O-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226531,5530,OMG
"[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226531,5530,OMG
"[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226532,5530,5MC
5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226532,5530,5MC
2'-O-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226555,5531,OMC
"[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226555,5531,OMC
2'-O-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226556,5531,OMG
"[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methoxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226556,5531,OMG
"[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226557,5531,5MC
5-methylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226557,5531,5MC
1-methylguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,226558,5531,1MG
"[(2R,3S,4R,5R)-5-(2-amino-1-methyl-6-oxo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226558,5531,1MG
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,226766,5540,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226766,5540,FMN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,226849,5544,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226849,5544,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,226929,5548,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226929,5548,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,226964,5549,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,226964,5549,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,227004,5550,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227004,5550,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,227115,5555,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227115,5555,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,227139,5556,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227139,5556,ZN
"1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol",SYSTEMATIC NAME,ACDLabs,10.04,227577,5571,FMN
"[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227577,5571,FMN
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,227643,5575,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227643,5575,PCA
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,227662,5576,ATP
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227662,5576,ATP
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227775,5580,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227775,5580,ABA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227776,5580,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227776,5580,DHA
2-aminoethanethiol,SYSTEMATIC NAME,ACDLabs,10.04,227777,5580,DHL
2-aminoethanethiol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227777,5580,DHL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227797,5581,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227797,5581,ABA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227798,5581,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227798,5581,DHA
2-aminoethanethiol,SYSTEMATIC NAME,ACDLabs,10.04,227799,5581,DHL
2-aminoethanethiol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227799,5581,DHL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227819,5582,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227819,5582,ABA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,227820,5582,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227820,5582,DHA
2-aminoethanethiol,SYSTEMATIC NAME,ACDLabs,10.04,227821,5582,DHL
2-aminoethanethiol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227821,5582,DHL
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,227862,5584,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227862,5584,CU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,227885,5585,CGU
"(3S)-3-aminopropane-1,1,3-tricarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227885,5585,CGU
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227886,5585,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,227886,5585,HYP
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227905,5586,P5P
9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine,SYSTEMATIC NAME,ACDLabs,10.04,227905,5586,P5P
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227925,5587,P5P
9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine,SYSTEMATIC NAME,ACDLabs,10.04,227925,5587,P5P
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,227945,5588,P5P
9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine,SYSTEMATIC NAME,ACDLabs,10.04,227945,5588,P5P
zinc,SYSTEMATIC NAME,ACDLabs,10.04,228073,5592,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228073,5592,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,228098,5593,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228098,5593,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,228252,5597,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,228252,5597,HEM
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,228338,5600,FME
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228338,5600,FME
zinc,SYSTEMATIC NAME,ACDLabs,10.04,228339,5600,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228339,5600,ZN
N-formyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,228373,5601,FME
(2S)-2-formamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228373,5601,FME
zinc,SYSTEMATIC NAME,ACDLabs,10.04,228374,5601,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228374,5601,ZN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228555,5608,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,228555,5608,DTR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,228556,5608,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228556,5608,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,228666,5613,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228666,5613,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,228667,5613,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228667,5613,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,228767,5618,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,228767,5618,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,228961,5625,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,229012,5627,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229012,5627,ZN
"1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol",SYSTEMATIC NAME,ACDLabs,10.04,229013,5627,TUX
"[(2R,3S,4R,5S)-3-hydroxy-5-[2-(hydroxyamino)-2-oxo-ethyl]-2-(hydroxymethyl)oxan-4-yl] tetradecanoate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229013,5627,TUX
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,229667,5660,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,229667,5660,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,229804,5667,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229804,5667,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,229828,5668,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229828,5668,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,229872,5669,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229872,5669,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,229977,5673,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,229977,5673,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,230000,5674,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230000,5674,NH2
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,230020,5675,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,230020,5675,NLW
zinc,SYSTEMATIC NAME,ACDLabs,10.04,230453,5692,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230453,5692,ZN
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,230477,5693,PTR
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230477,5693,PTR
"1-[(2R,3R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-3,4-dihydroxy-oxolan-2-yl]pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230706,5703,SSU
5'-O-thiophosphonouridine,SYSTEMATIC NAME,ACDLabs,10.04,230706,5703,SSU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,230792,5707,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230792,5707,CA
7-methylguanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,230905,5712,M7G
"[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230905,5712,M7G
nickel(2+),SYSTEMATIC NAME,ACDLabs,10.04,230956,5715,NI
nickel(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,230956,5715,NI
calcium,SYSTEMATIC NAME,ACDLabs,10.04,231087,5722,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231087,5722,CA
"(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231271,5730,BAP
"(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol",SYSTEMATIC NAME,ACDLabs,10.04,231271,5730,BAP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,231417,5738,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231417,5738,CA
"(6aR,9R,9aR)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",SYSTEMATIC NAME,ACDLabs,10.04,231443,5739,AFN
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,231472,5740,FOL
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231472,5740,FOL
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,233935,5851,ZN
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231473,5740,NAP
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231495,5741,FOL
"N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,231495,5741,FOL
"[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231496,5741,NDP
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,231588,5745,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,231588,5745,HEM
"[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231615,5746,AP5
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,231641,5747,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231641,5747,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,231642,5747,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231642,5747,NH2
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,231719,5752,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,231719,5752,MG
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,231882,5759,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,231882,5759,HEM
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,232071,5768,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232071,5768,CU1
calcium,SYSTEMATIC NAME,ACDLabs,10.04,232119,5770,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232119,5770,CA
2'-deoxy-5'-uridylic acid,SYSTEMATIC NAME,ACDLabs,10.04,232231,5775,DU
"[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232231,5775,DU
2'-deoxy-5-propyluridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,232251,5776,PDU
"[(2R,3S,5R)-5-(2,4-dioxo-5-propyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232251,5776,PDU
2'-deoxy-5-prop-1-yn-1-ylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,232252,5776,5PC
"[(2R,3S,5R)-5-(4-amino-2-oxo-5-prop-1-ynyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232252,5776,5PC
2'-deoxy-5-propyluridine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,232273,5777,PDU
"[(2R,3S,5R)-5-(2,4-dioxo-5-propyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232273,5777,PDU
2'-deoxy-5-prop-1-yn-1-ylcytidine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,232274,5777,5PC
"[(2R,3S,5R)-5-(4-amino-2-oxo-5-prop-1-ynyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232274,5777,5PC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,232434,5785,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232434,5785,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,232435,5785,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232435,5785,ZN
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,232473,5787,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232473,5787,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,232667,5795,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,232667,5795,PCA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,232842,5802,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,232842,5802,HEM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,233002,5809,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,233002,5809,CYN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,233185,5817,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,233185,5817,CA
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,233232,5819,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,233232,5819,CU1
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,233388,5827,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,233388,5827,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,233409,5828,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,233409,5828,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,233430,5829,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,233430,5829,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,233447,5830,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,233447,5830,HEM
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,233462,5832,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,233462,5832,NLW
zinc,SYSTEMATIC NAME,ACDLabs,10.04,233935,5851,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,233999,5853,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,233999,5853,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,234055,5856,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,234055,5856,HEM
carbon monooxide,SYSTEMATIC NAME,ACDLabs,10.04,234056,5856,CMO
carbon monoxide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234056,5856,CMO
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,234102,5858,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234102,5858,CU1
2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate),SYSTEMATIC NAME,ACDLabs,10.04,234336,5866,8OG
"[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234336,5866,8OG
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,234337,5866,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234337,5866,MG
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234403,5869,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,234403,5869,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,234404,5869,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234404,5869,NH2
"(2R,3S,4S,5R,6R)-2-{[(2R,3S,4S,5S,6S)-2-{[(1R,2S)-2-[({6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}carbonyl)amino]-3-{[(1R,2S,3S)-4-{[(1S,2R)-1-{[2-(4-{[3-(dimethyl-lambda~4~-sulfanyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]carbamoyl}-2-hydroxypropyl]amino}-2-hydroxy-1,3-dimethyl-4-oxobutyl]amino}-1-(1H-imidazol-4-yl)-3-oxopropyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,234423,5870,BLM
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,234424,5870,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234424,5870,CU1
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234681,5881,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,234681,5881,PCA
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,234723,5883,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,234723,5883,NLW
calcium,SYSTEMATIC NAME,ACDLabs,10.04,234964,5893,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,234964,5893,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,235020,5895,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235020,5895,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,235021,5895,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235021,5895,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,235051,5896,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235051,5896,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,235141,5901,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235141,5901,ZN
"2-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235480,5915,PX4
"(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide",SYSTEMATIC NAME,ACDLabs,10.04,235480,5915,PX4
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,235621,5922,NLE
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235621,5922,NLE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,235703,5926,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235703,5926,ZN
"(11S)-45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene",SYSTEMATIC NAME,ACDLabs,10.04,235723,5927,CYE
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,235819,5931,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235819,5931,MG
5'-adenylic acid,SYSTEMATIC NAME,ACDLabs,10.04,235820,5931,AMP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235820,5931,AMP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,235990,5938,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,235990,5938,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,236055,5941,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236055,5941,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,236110,5944,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236110,5944,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,236146,5945,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236146,5945,ZN
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,236470,5960,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236470,5960,MYR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,236490,5961,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236490,5961,CA
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,236539,5964,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236539,5964,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,236554,5965,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236554,5965,ACE
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,236569,5966,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236569,5966,ACE
"(1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate",SYSTEMATIC NAME,ACDLabs,10.04,236633,5969,CHR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,236719,5972,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236719,5972,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,236720,5972,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236720,5972,NH2
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",SYSTEMATIC NAME,ACDLabs,10.04,236721,5972,CAM
"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236721,5972,CAM
calcium,SYSTEMATIC NAME,ACDLabs,10.04,236777,5975,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236777,5975,CA
"[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236915,5981,NAP
"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,236916,5981,TOP
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236916,5981,TOP
"(2S)-2-[[4-[[(6R)-2-amino-5-methanoyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,236972,5983,FON
"N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,236972,5983,FON
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,237026,5985,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237026,5985,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,237062,5987,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237062,5987,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,237186,5992,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237186,5992,CA
"2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,237298,5996,ZBT
zinc,SYSTEMATIC NAME,ACDLabs,10.04,237599,6005,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237599,6005,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,237626,6006,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237626,6006,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,237659,6008,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237659,6008,CA
strontium,SYSTEMATIC NAME,ACDLabs,10.04,237675,6009,SR
strontium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237675,6009,SR
"(1R)-N,6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide",SYSTEMATIC NAME,ACDLabs,10.04,237776,6014,MDW
"(1R,2S)-N,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237776,6014,MDW
zinc,SYSTEMATIC NAME,ACDLabs,10.04,237777,6014,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237777,6014,ZN
"(2S,3R)-2-amino-3-phosphonooxy-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237866,6018,TPO
O-phosphono-L-threonine,SYSTEMATIC NAME,ACDLabs,10.04,237866,6018,TPO
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,237897,6020,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,237897,6020,NH2
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,238032,6026,FES
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238032,6026,FES
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238064,6027,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,238064,6027,PCA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238065,6027,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,238065,6027,HYP
(2R)-2-amino-3-sulfanyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238066,6027,CY3
L-cysteinamide,SYSTEMATIC NAME,ACDLabs,10.04,238066,6027,CY3
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238067,6027,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238067,6027,NH2
5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine,SYSTEMATIC NAME,ACDLabs,12.01,238145,6030,ANP
"[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,238145,6030,ANP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,238164,6031,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238164,6031,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,238213,6033,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,238213,6033,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,238250,6035,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238250,6035,ZN
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238321,6039,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,238321,6039,NLE
(2R)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238322,6039,DNE
D-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,238322,6039,DNE
(2S)-2-methylaminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238323,6039,DNM
N-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,238323,6039,DNM
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,238405,6043,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238405,6043,CU1
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238485,6048,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238485,6048,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,238509,6049,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238509,6049,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,238603,6053,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238603,6053,ZN
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238624,6054,SMC
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,238624,6054,SMC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,238625,6054,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238625,6054,ZN
mercury,SYSTEMATIC NAME,ACDLabs,10.04,238641,6055,HG
mercury(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238641,6055,HG
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243290,6289,ZN
"(2R,3R)-1,4-disulfanylbutane-2,3-diol",SYSTEMATIC NAME,ACDLabs,10.04,238642,6055,DTT
"(2R,3R)-1,4-bis-sulfanylbutane-2,3-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238642,6055,DTT
zinc,SYSTEMATIC NAME,ACDLabs,10.04,238739,6059,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238739,6059,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238761,606,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238761,606,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,238841,6063,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238841,6063,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238842,6063,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238842,6063,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,238859,6064,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238859,6064,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238860,6064,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238860,6064,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238877,6066,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238877,6066,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238893,6067,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238893,6067,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,238909,6068,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,238909,6068,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,239328,6088,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239328,6088,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,239329,6088,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239329,6088,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,239517,6097,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239517,6097,ZN
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239596,6101,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239596,6101,NLE
(2R)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239597,6101,DNE
D-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239597,6101,DNE
(2S)-2-methylaminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239598,6101,DNM
N-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239598,6101,DNM
calcium,SYSTEMATIC NAME,ACDLabs,10.04,239635,6103,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239635,6103,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,239655,6104,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239655,6104,CA
(2S)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239678,6105,NLE
L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239678,6105,NLE
(2R)-2-aminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239679,6105,DNE
D-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239679,6105,DNE
(2S)-2-methylaminohexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239680,6105,DNM
N-methyl-L-norleucine,SYSTEMATIC NAME,ACDLabs,10.04,239680,6105,DNM
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,239747,6109,PCA
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239747,6109,PCA
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,239973,6123,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239973,6123,CTO
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,239992,6125,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,239992,6125,MG
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,240073,6129,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240073,6129,CU
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,240120,6131,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,240120,6131,HEM
beta-D-galactopyranose,SYSTEMATIC NAME,ACDLabs,12.01,240208,6136,GAL
"(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,240208,6136,GAL
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,240342,6144,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240342,6144,DHA
(2Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,240343,6144,DBU
(Z)-2-aminobut-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240343,6144,DBU
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,240344,6144,DAL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240344,6144,DAL
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,240345,6144,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240345,6144,ABA
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,240366,6145,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,240366,6145,DGL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240367,6145,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,240367,6145,DAL
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,240368,6145,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,240368,6145,NAG
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,240369,6145,MUB
"(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240369,6145,MUB
dihydrogen diphosphate,SYSTEMATIC NAME,ACDLabs,10.04,240370,6145,POP
(hydroxy-oxido-phosphoryl) hydrogen phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240370,6145,POP
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,240397,6146,DGL
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,240397,6146,DGL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,240398,6146,DAL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240398,6146,DAL
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,240399,6146,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,240399,6146,NAG
dihydrogen diphosphate,SYSTEMATIC NAME,ACDLabs,10.04,240401,6146,POP
(hydroxy-oxido-phosphoryl) hydrogen phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240401,6146,POP
calcium,SYSTEMATIC NAME,ACDLabs,10.04,240721,6167,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,240721,6167,CA
(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,240744,6168,NAL
(2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,240744,6168,NAL
2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241030,6182,FLU
2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid,SYSTEMATIC NAME,ACDLabs,10.04,241030,6182,FLU
zinc,SYSTEMATIC NAME,ACDLabs,10.04,241200,6191,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241200,6191,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,241278,6195,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241278,6195,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,241299,6196,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241299,6196,ZN
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,241484,6205,ABA
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241484,6205,ABA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,241648,6216,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241648,6216,ZN
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241673,6217,NFA
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,241673,6217,NFA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,241692,6218,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241692,6218,NH2
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241711,6219,NFA
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,241711,6219,NFA
(2S)-2-amino-3-phenyl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241733,6220,NFA
L-phenylalaninamide,SYSTEMATIC NAME,ACDLabs,10.04,241733,6220,NFA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,241787,6223,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241787,6223,ZN
adenosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,241916,6229,ADP
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241916,6229,ADP
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,241956,6230,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241956,6230,CYN
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,241995,6232,SEP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,241995,6232,SEP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,242092,6237,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242092,6237,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,242115,6238,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242115,6238,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,242241,6243,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242241,6243,CU1
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,242313,6245,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242313,6245,NH2
(2R)-2-aminobutanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242338,6246,DAS
D-aspartic acid,SYSTEMATIC NAME,ACDLabs,10.04,242338,6246,DAS
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,242339,6246,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,242339,6246,ORN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242340,6246,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,242340,6246,DAL
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242341,6246,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,242341,6246,DSN
"(2S,3S)-2-azanyl-3-methyl-pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,242342,6246,MEG
(3S)-3-methyl-L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,242342,6246,MEG
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,242343,6246,KYN
(2S)-4-(2-aminophenyl)-2-azanyl-4-oxo-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,242343,6246,KYN
decanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,242344,6246,DKA
decanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,242344,6246,DKA
"1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine",SYSTEMATIC NAME,ACDLabs,10.04,242386,6248,IMY
"[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-yl-methanone",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242386,6248,IMY
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,242785,6266,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242785,6266,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,242842,6268,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242842,6268,ZN
3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242895,6271,OHN
3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide,SYSTEMATIC NAME,ACDLabs,10.04,242895,6271,OHN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,242976,6275,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,242976,6275,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,243009,6276,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243009,6276,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,243290,6289,ZN
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,243317,6290,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243317,6290,CU1
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,243424,6295,FDA
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243424,6295,FDA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243560,630,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,243560,630,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,243561,630,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,243596,6301,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243596,6301,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,243597,6301,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243597,6301,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,243624,6302,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243624,6302,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,243645,6303,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,243645,6303,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244044,6325,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244044,6325,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244067,6326,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244067,6326,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244089,6327,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244089,6327,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244111,6328,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244111,6328,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244134,6329,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244134,6329,ZN
(9Z)-octadec-9-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,244230,6333,OLA
(Z)-octadec-9-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244230,6333,OLA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244276,6335,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244276,6335,ZN
adenosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,244293,6336,ATP
"[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244293,6336,ATP
"(3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl alpha-D-glucopyranoside",SYSTEMATIC NAME,ACDLabs,10.04,244551,6348,RG1
"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(8E,10E,14E,16E,18E,20E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-yl]oxy-oxane-3,4,5-triol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244551,6348,RG1
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,244628,6352,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244628,6352,DHA
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244629,6352,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,244629,6352,DAL
"4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,244630,6352,HOP
"4-[[4-[(1R,2S,4S)-2-hydroxy-4-phenyl-cyclohexyl]phenyl]carbonylamino]butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244630,6352,HOP
(2S)-2-amino-5-hydroxy-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244631,6352,AA4
5-hydroxy-L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,244631,6352,AA4
(2S)-2-aminobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,244632,6352,ABA
(2S)-2-azanylbutanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,244632,6352,ABA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,244817,6360,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244817,6360,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,244863,6362,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,244863,6362,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,245119,6374,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245119,6374,ZN
N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide,SYSTEMATIC NAME,ACDLabs,10.04,245223,6379,HTF
N-[(3S)-2-oxooxolan-3-yl]octanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245223,6379,HTF
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,245380,6388,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,245380,6388,NLW
calcium,SYSTEMATIC NAME,ACDLabs,10.04,245415,6390,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245415,6390,CA
(2S)-2-(dibenzothiophen-3-ylsulfonylamino)-3-methyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245432,6391,DSV
"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",SYSTEMATIC NAME,ACDLabs,10.04,245432,6391,DSV
zinc,SYSTEMATIC NAME,ACDLabs,10.04,245772,6407,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245772,6407,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,245793,6408,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245793,6408,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,245816,6409,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245816,6409,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,245874,6411,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245874,6411,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,245932,6414,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,245932,6414,NH2
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,246028,6418,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246028,6418,MG
"(2S)-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)imidazo[3,2-a]pyrazin-3-one",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246029,6418,CZH
"(2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one",SYSTEMATIC NAME,ACDLabs,10.04,246029,6418,CZH
decanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,246076,6420,DKA
decanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,246076,6420,DKA
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,246077,6420,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,246077,6420,ORN
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246078,6420,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,246078,6420,DAL
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246079,6420,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,246079,6420,DSN
"(2S,3R)-2-azanyl-3-methyl-pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,246080,6420,LME
(3R)-3-methyl-L-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,246080,6420,LME
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,246081,6420,KYN
(2S)-4-(2-aminophenyl)-2-azanyl-4-oxo-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,246081,6420,KYN
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246099,6421,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246099,6421,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246100,6421,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246100,6421,IAM
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246101,6421,IYR
3-iodo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,246101,6421,IYR
(2S)-2-amino-5-hydroxy-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246116,6422,AA4
5-hydroxy-L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,246116,6422,AA4
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246117,6422,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246117,6422,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246118,6422,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246118,6422,IAM
(2S)-2-amino-5-hydroxy-pentanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246133,6423,AA4
5-hydroxy-L-norvaline,SYSTEMATIC NAME,ACDLabs,10.04,246133,6423,AA4
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246134,6423,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246134,6423,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246135,6423,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246135,6423,IAM
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246151,6424,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246151,6424,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246152,6424,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246152,6424,IAM
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246167,6425,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246167,6425,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246168,6425,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246168,6425,IAM
"(2S)-2,8-diaminooctanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,246169,6425,HHK
"(2S)-2,8-diaminooctanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246169,6425,HHK
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246184,6426,DTR
D-tryptophan,SYSTEMATIC NAME,ACDLabs,10.04,246184,6426,DTR
(2S)-2-amino-3-[4-[(propan-2-ylamino)methyl]phenyl]propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246185,6426,IAM
4-{[(1-methylethyl)amino]methyl}-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,246185,6426,IAM
(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246186,6426,IYR
3-iodo-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,246186,6426,IYR
calcium,SYSTEMATIC NAME,ACDLabs,10.04,246361,6433,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246361,6433,CA
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,246383,6434,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246383,6434,MG
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246536,6441,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,246536,6441,PCA
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,246537,6441,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,246537,6441,NLW
N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-methylpropyl)glycinamide,SYSTEMATIC NAME,ACDLabs,10.04,246594,6444,NGH
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]ethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246594,6444,NGH
zinc,SYSTEMATIC NAME,ACDLabs,10.04,246620,6445,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246620,6445,ZN
(3S)-3-aminodihydrofuran-2(3H)-one,SYSTEMATIC NAME,ACDLabs,10.04,246641,6446,HSL
(3S)-3-aminooxolan-2-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246641,6446,HSL
retinoic acid,SYSTEMATIC NAME,ACDLabs,10.04,246735,6449,REA
"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246735,6449,REA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,246760,645,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,246760,645,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,246761,645,HEC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,247003,6463,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247003,6463,NH2
uridine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,247042,6465,UDP
"[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,247042,6465,UDP
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,247043,6465,AMU
"(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247043,6465,AMU
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,247044,6465,DGN
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247044,6465,DGN
N~6~-carboxy-L-lysine,SYSTEMATIC NAME,ACDLabs,12.01,247045,6465,KCX
(2S)-2-azanyl-6-(carboxyamino)hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,247045,6465,KCX
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,247046,6465,DAL
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247046,6465,DAL
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,247353,6480,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247353,6480,CU1
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,247409,6482,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247409,6482,CU1
"cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,247624,6496,PRE
"4-hydroxy-1-(3-hydroxy-2,3-dioxo-propyl)cyclohexa-2,5-diene-1-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247624,6496,PRE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,247849,6507,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247849,6507,CA
"4-({5-[(2-aminoethyl)amino]-2,4-dinitrophenyl}amino)-2,2,6,6-tetramethylpiperidin-1-olate",SYSTEMATIC NAME,ACDLabs,10.04,247850,6507,NPP
"N-(2-aminoethyl)-4,6-dinitro-N'-(2,2,6,6-tetramethyl-1-oxido-piperidin-4-yl)benzene-1,3-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247850,6507,NPP
"N-(4-methyl-2-nitro-phenyl)propane-1,3-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247874,6508,NP1
"N-(4-methyl-2-nitrophenyl)propane-1,3-diamine",SYSTEMATIC NAME,ACDLabs,10.04,247874,6508,NP1
"[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,247893,6509,CH
5'-cytidylic acid,SYSTEMATIC NAME,ACDLabs,10.04,247893,6509,CH
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248041,6516,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,248041,6516,PNS
calcium,SYSTEMATIC NAME,ACDLabs,10.04,248298,6531,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248298,6531,CA
"3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,248388,6537,NAZ
"3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxo-propyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248388,6537,NAZ
calcium,SYSTEMATIC NAME,ACDLabs,10.04,248481,6541,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248481,6541,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,248542,6547,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248542,6547,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,248678,6555,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,248678,6555,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,249044,6572,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,249044,6572,HEM
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249212,6580,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,249212,6580,PTR
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,249233,6581,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249233,6581,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,249234,6581,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249234,6581,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,249287,6583,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249287,6583,CA
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249441,6591,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,249441,6591,PFF
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,249442,6591,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249442,6591,CTO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,249493,6594,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249493,6594,ZN
"2-amino-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one",SYSTEMATIC NAME,ACDLabs,12.01,249668,6602,35G
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249704,6604,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,249704,6604,PTR
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249724,6605,SMC
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,249724,6605,SMC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,249725,6605,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249725,6605,ZN
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,249775,6608,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249775,6608,AAR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,249871,6613,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249871,6613,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,249926,6617,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,249926,6617,CA
S-methyl-L-cysteine,SYSTEMATIC NAME,ACDLabs,10.04,250036,6622,SMC
(2R)-2-amino-3-methylsulfanyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250036,6622,SMC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,250230,6634,HEC
(3S)-3-aminodihydrofuran-2(3H)-one,SYSTEMATIC NAME,ACDLabs,10.04,250272,6636,HSL
(3S)-3-aminooxolan-2-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250272,6636,HSL
(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,250297,6637,NAL
(2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,250297,6637,NAL
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,250298,6637,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250298,6637,CTO
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,250336,6639,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250336,6639,CTO
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250356,664,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,250356,664,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,250357,664,HEC
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,250476,6647,CTO
"N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250476,6647,CTO
zinc,SYSTEMATIC NAME,ACDLabs,10.04,250501,6648,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250501,6648,ZN
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250548,665,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,250548,665,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,250549,665,HEC
zinc,SYSTEMATIC NAME,ACDLabs,10.04,250636,6653,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250636,6653,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,250671,6655,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250671,6655,ZN
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250713,6656,PFF
4-fluoro-L-phenylalanine,SYSTEMATIC NAME,ACDLabs,10.04,250713,6656,PFF
(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name),SYSTEMATIC NAME,ACDLabs,12.01,250739,6657,NAL
(2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,250739,6657,NAL
zinc,SYSTEMATIC NAME,ACDLabs,10.04,250758,6658,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250758,6658,ZN
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250784,6659,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250784,6659,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250813,6660,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250813,6660,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250829,6661,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250829,6661,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250845,6662,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250845,6662,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250861,6663,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250861,6663,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250877,6664,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250877,6664,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250893,6665,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250893,6665,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250909,6666,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250909,6666,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250925,6667,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250925,6667,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250941,6668,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250941,6668,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250957,6669,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250957,6669,FE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,250972,667,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,250973,667,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250973,667,M3L
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,250989,6670,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,250989,6670,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251005,6671,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251005,6671,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251021,6672,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251021,6672,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251037,6673,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251037,6673,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251053,6674,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251053,6674,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251069,6675,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251069,6675,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251085,6676,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251085,6676,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251101,6677,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251101,6677,FE
iron(3+),SYSTEMATIC NAME,ACDLabs,10.04,251117,6678,FE
iron(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251117,6678,FE
zinc,SYSTEMATIC NAME,ACDLabs,10.04,251196,6682,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251196,6682,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,251231,6683,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,251231,6683,HEM
iron(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251250,6685,FE2
iron(2+),SYSTEMATIC NAME,ACDLabs,10.04,251250,6685,FE2
2-oxidanylidenepentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.6,251251,6685,AKG
2-oxopentanedioic acid,SYSTEMATIC NAME,ACDLabs,10.04,251251,6685,AKG
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,251421,6692,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251421,6692,FAD
"[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,251501,6695,FAD
"[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251501,6695,FAD
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,251520,6696,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251520,6696,ACE
calcium,SYSTEMATIC NAME,ACDLabs,10.04,251564,6699,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251564,6699,CA
lanthanum,SYSTEMATIC NAME,ACDLabs,10.04,251565,6699,LA
lanthanum(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251565,6699,LA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,251611,6705,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251611,6705,CA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251875,672,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,251875,672,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,251876,672,HEC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,251890,6720,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,251890,6720,NH2
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252041,6728,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,252041,6728,PCA
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252073,673,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,252073,673,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,252074,673,HEC
calcium,SYSTEMATIC NAME,ACDLabs,10.04,252130,6733,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252130,6733,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,252382,6747,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252382,6747,ZN
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,252523,6756,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252523,6756,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,252715,6766,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252715,6766,ZN
"(2R,3R)-2-amino-3-methyl-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,252828,6775,DIL
D-isoleucine,SYSTEMATIC NAME,ACDLabs,10.04,252828,6775,DIL
"(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,253043,6785,TSA
"(1S,3S,5R,6R)-6-hydroxy-4-oxabicyclo[3.3.1]non-7-ene-1,3-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253043,6785,TSA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,253095,6787,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253095,6787,CA
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253110,6788,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,253110,6788,SEP
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,253154,6790,PNS
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253154,6790,PNS
octadecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,253155,6790,STE
octadecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253155,6790,STE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,253193,6791,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253193,6791,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,253210,6792,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253210,6792,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,255351,6904,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255351,6904,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,255371,6905,ZN
"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,253462,6807,BCD
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253575,6814,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,253575,6814,GTP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,253725,6821,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253725,6821,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,253782,6823,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253782,6823,ACE
ethyl propanoate,SYSTEMATIC NAME,ACDLabs,10.04,253783,6823,CA1
ethyl propanoate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253783,6823,CA1
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,253877,6827,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253877,6827,NH2
diethyl (4-nitrophenyl) phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,253970,6832,EPP
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254065,6836,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,254065,6836,FES
"amino{[(4S)-4,5-diamino-5-oxopentyl]amino}methaniminium",SYSTEMATIC NAME,ACDLabs,10.04,254166,6839,AAR
"[amino-[[(4S)-4,5-diamino-5-oxo-pentyl]amino]methylidene]azanium",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254166,6839,AAR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,254270,6845,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254270,6845,ZN
"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254435,6856,URI
uridine,SYSTEMATIC NAME,ACDLabs,10.04,254435,6856,URI
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,254436,6856,AMU
"(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254436,6856,AMU
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254437,6856,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,254437,6856,DGN
(2S)-2-azanyl-6-(carboxyamino)hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,254438,6856,KCX
N~6~-carboxy-L-lysine,SYSTEMATIC NAME,ACDLabs,12.01,254438,6856,KCX
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254439,6856,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,254439,6856,DAL
"[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,254479,6858,UDP
uridine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,12.01,254479,6858,UDP
2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,254480,6858,AMU
"(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254480,6858,AMU
"(2R)-2,5-diamino-5-oxo-pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254481,6858,DGN
D-glutamine,SYSTEMATIC NAME,ACDLabs,10.04,254481,6858,DGN
(2S)-2-azanyl-6-(carboxyamino)hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,254482,6858,KCX
N~6~-carboxy-L-lysine,SYSTEMATIC NAME,ACDLabs,12.01,254482,6858,KCX
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254483,6858,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,254483,6858,DAL
calcium,SYSTEMATIC NAME,ACDLabs,10.04,254560,6862,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254560,6862,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,254577,6863,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254577,6863,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,254730,6870,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254730,6870,NH2
2-O-sulfo-alpha-L-idopyranuronic acid,SYSTEMATIC NAME,ACDLabs,10.04,254811,6875,IDS
"(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-sulfooxy-oxane-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254811,6875,IDS
2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,254812,6875,GNS
"[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]sulfamic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,254812,6875,GNS
"(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254813,6875,IDR
alpha-L-idopyranuronic acid,SYSTEMATIC NAME,ACDLabs,10.04,254813,6875,IDR
2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,254814,6875,NGY
"[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-oxan-2-yl]methyl hydrogen sulfate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,254814,6875,NGY
propan-2-ol,SYSTEMATIC NAME,ACDLabs,11.02,254815,6875,IPA
propan-2-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,254815,6875,IPA
2-phenyl-4H-chromen-4-one,SYSTEMATIC NAME,ACDLabs,10.04,255038,6888,FLN
2-phenylchromen-4-one,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255038,6888,FLN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255093,6891,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,255093,6891,HYP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,255094,6891,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255094,6891,NH2
(2~{S})-2-azanyl-4-methyl-pentanamide,SYSTEMATIC NAME,OpenEye OEToolkits,2.0.4,255112,6892,NLW
L-leucinamide,SYSTEMATIC NAME,ACDLabs,12.01,255112,6892,NLW
(2R)-2-amino-3-selenino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255198,6896,SEC
3-selenino-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,255198,6896,SEC
(2R)-2-amino-3-selenino-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255217,6897,SEC
3-selenino-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,255217,6897,SEC
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255371,6905,ZN
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,255430,6909,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255430,6909,CD
zinc,SYSTEMATIC NAME,ACDLabs,10.04,255537,6916,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255537,6916,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,255570,6918,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255570,6918,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,255602,6920,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255602,6920,ZN
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,255616,6921,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,255616,6921,HEM
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255660,6924,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,255660,6924,PCA
diethyl (4-nitrophenyl) phosphate,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255813,6935,EPP
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,ACDLabs,10.04,255892,6941,DAB
"(2S)-2,4-diaminobutanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255892,6941,DAB
"(2S)-2,5-bis(azanyl)pentanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,255893,6941,ORN
L-ornithine,SYSTEMATIC NAME,ACDLabs,12.01,255893,6941,ORN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,255908,6942,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255908,6942,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,255937,6944,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255937,6944,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,255984,6947,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,255984,6947,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256054,6951,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256054,6951,NH2
"[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256196,6962,PNS
"N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide",SYSTEMATIC NAME,ACDLabs,10.04,256196,6962,PNS
decanoic acid,SYSTEMATIC NAME,ACDLabs,12.01,256197,6962,DKA
decanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,256197,6962,DKA
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,256249,6965,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256249,6965,CU1
copper(2+),SYSTEMATIC NAME,ACDLabs,10.04,256250,6965,CU
copper(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256250,6965,CU
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,256268,6966,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,256268,6966,HEM
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,256285,6967,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,256285,6967,HEM
"[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256332,6970,GTP
guanosine 5'-(tetrahydrogen triphosphate),SYSTEMATIC NAME,ACDLabs,10.04,256332,6970,GTP
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,256333,6970,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256333,6970,MG
"[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256436,6979,P5P
9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine,SYSTEMATIC NAME,ACDLabs,10.04,256436,6979,P5P
calcium,SYSTEMATIC NAME,ACDLabs,10.04,256457,6980,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256457,6980,CA
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,256504,6983,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,256504,6983,HEM
azide,SYSTEMATIC NAME,ACDLabs,10.04,256505,6983,AZI
azide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256505,6983,AZI
"(1R,4R,6S,7R,8R)-8-(6-aminopurin-9-yl)-4-hydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256520,6984,CMP
"(2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide",SYSTEMATIC NAME,ACDLabs,10.04,256520,6984,CMP
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,256573,6987,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,256573,6987,HEM
cyanide,SYSTEMATIC NAME,ACDLabs,10.04,256574,6987,CYN
cyanide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256574,6987,CYN
2-(acetylamino)-2-deoxy-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,12.01,256665,6992,NAG
"N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,256665,6992,NAG
(2S)-2-amino-3-naphthalen-1-yl-propanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256666,6992,NAM
(2S)-2-amino-3-naphthalen-1-ylpropanamide (non-preferred name),SYSTEMATIC NAME,ACDLabs,10.04,256666,6992,NAM
(2R)-2-aminopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256667,6992,DAL
D-alanine,SYSTEMATIC NAME,ACDLabs,10.04,256667,6992,DAL
(2R)-2-azanylpentanedioic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,256668,6992,DGL
D-glutamic acid,SYSTEMATIC NAME,ACDLabs,12.01,256668,6992,DGL
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256686,6993,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,256686,6993,SEP
"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256703,6995,GDP
guanosine 5'-(trihydrogen diphosphate),SYSTEMATIC NAME,ACDLabs,10.04,256703,6995,GDP
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256722,6996,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,256722,6996,SEP
(2S)-2-amino-6-methylamino-hexanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256740,6997,MLZ
N~6~-methyl-L-lysine,SYSTEMATIC NAME,ACDLabs,10.04,256740,6997,MLZ
"(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,256741,6997,SAH
"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methylsulfanyl]butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256741,6997,SAH
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256757,6998,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,256757,6998,SEP
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256788,7,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,256788,7,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256789,7,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256789,7,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,256828,7001,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256828,7001,ACE
(2S)-2-amino-3-phosphonooxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256829,7001,SEP
O-phosphono-L-serine,SYSTEMATIC NAME,ACDLabs,10.04,256829,7001,SEP
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256830,7001,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256830,7001,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256882,7005,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256882,7005,NH2
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256904,7006,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256904,7006,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,256949,7008,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256949,7008,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,256971,7009,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256971,7009,CA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,256992,7010,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,256992,7010,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,257082,7015,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257082,7015,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,257107,7016,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257107,7016,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,257127,7017,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257127,7017,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,257423,7034,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257423,7034,ZN
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257724,7061,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,257724,7061,PTR
cadmium,SYSTEMATIC NAME,ACDLabs,10.04,257810,7066,CD
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257810,7066,CD
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,257857,7068,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,257857,7068,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,258012,7074,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258012,7074,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,258307,7089,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258307,7089,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,258308,7089,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258308,7089,CA
"(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,258366,7093,TSA
"(1S,3S,5R,6R)-6-hydroxy-4-oxabicyclo[3.3.1]non-7-ene-1,3-dicarboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258366,7093,TSA
"(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)",SYSTEMATIC NAME,ACDLabs,10.04,258707,7114,BCD
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,258789,7119,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258789,7119,MG
zinc,SYSTEMATIC NAME,ACDLabs,10.04,258879,7124,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,258879,7124,ZN
2-[4-[4-(4-chlorophenoxy)phenyl]sulfonyloxan-4-yl]-N-hydroxy-ethanamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259161,7141,CBP
2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide,SYSTEMATIC NAME,ACDLabs,10.04,259161,7141,CBP
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259228,7150,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,259228,7150,PTR
zinc,SYSTEMATIC NAME,ACDLabs,10.04,259351,7158,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259351,7158,ZN
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259442,7166,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,259442,7166,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,259564,7174,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259564,7174,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,259606,7177,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259606,7177,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,259827,7190,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259827,7190,CA
zinc,SYSTEMATIC NAME,ACDLabs,10.04,259894,7194,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259894,7194,ZN
"(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259919,7196,MTX
"N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid",SYSTEMATIC NAME,ACDLabs,10.04,259919,7196,MTX
"5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine",SYSTEMATIC NAME,ACDLabs,10.04,259951,7200,TOP
"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,259951,7200,TOP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,260188,7210,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260188,7210,ZN
2-[3-[3-(aminomethyl)phenyl]diazenylphenyl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260755,7232,EAB
(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid,SYSTEMATIC NAME,ACDLabs,10.04,260755,7232,EAB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,260756,7232,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260756,7232,NH2
2-[3-[3-(aminomethyl)phenyl]diazenylphenyl]ethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260777,7233,EAB
(3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid,SYSTEMATIC NAME,ACDLabs,10.04,260777,7233,EAB
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,260778,7233,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260778,7233,NH2
"[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260806,7234,BG6
6-O-phosphono-beta-D-glucopyranose,SYSTEMATIC NAME,ACDLabs,10.04,260806,7234,BG6
trifluoromagnesate(1-),SYSTEMATIC NAME,ACDLabs,10.04,260807,7234,MGF
trifluoromagnesium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260807,7234,MGF
magnesium,SYSTEMATIC NAME,ACDLabs,10.04,260834,7235,MG
magnesium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,260834,7235,MG
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,261044,7245,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,261044,7245,NH2
zinc,SYSTEMATIC NAME,ACDLabs,10.04,261087,7247,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,261087,7247,ZN
calcium,SYSTEMATIC NAME,ACDLabs,10.04,261446,7263,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,261446,7263,CA
calcium,SYSTEMATIC NAME,ACDLabs,10.04,262018,7293,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262018,7293,CA
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262039,7294,DTY
D-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,262039,7294,DTY
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262040,7294,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,262040,7294,DSN
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262041,7294,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,262041,7294,DSG
"(3R,12R)-3-amino-12-methyltetradecanoic acid",SYSTEMATIC NAME,ACDLabs,12.01,262042,7294,AFC
"(3R,12R)-3-azanyl-12-methyl-tetradecanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,262042,7294,AFC
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262065,7295,DTY
D-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,262065,7295,DTY
(2R)-2-amino-3-hydroxy-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262066,7295,DSN
D-serine,SYSTEMATIC NAME,ACDLabs,10.04,262066,7295,DSN
"(2R)-2,4-diamino-4-oxo-butanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262067,7295,DSG
D-asparagine,SYSTEMATIC NAME,ACDLabs,10.04,262067,7295,DSG
3-azanylpropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.7.0,262068,7295,BAL
beta-alanine,SYSTEMATIC NAME,ACDLabs,12.01,262068,7295,BAL
"3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid",SYSTEMATIC NAME,ACDLabs,11.02,262090,7296,HEM
"3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.6.1,262090,7296,HEM
zinc,SYSTEMATIC NAME,ACDLabs,10.04,262111,7297,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262111,7297,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,262137,7298,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262137,7298,ZN
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,262161,7299,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262161,7299,ACE
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,262162,7299,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262162,7299,NH2
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,262283,7306,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262283,7306,ACE
"1,3-thiazole-4-carboxylic acid",SYSTEMATIC NAME,ACDLabs,12.01,262318,7308,TZO
"1,3-thiazole-4-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.7.2,262318,7308,TZO
"(4S)-2-[(1Z)-1-aminoprop-1-en-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,262319,7308,TZB
"(4S)-2-[(Z)-1-aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262319,7308,TZB
"(2S,3R)-1-amino-2-methyl-butane-2,3-diol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262320,7308,TSI
"(2S,3R)-1-amino-2-methylbutane-2,3-diol",SYSTEMATIC NAME,ACDLabs,10.04,262320,7308,TSI
"(1S,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol",SYSTEMATIC NAME,ACDLabs,10.04,262321,7308,XAA
"(1S,2R)-1-amino-1-(1,3-thiazol-2-yl)propan-2-ol",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262321,7308,XAA
"(8S)-8-hydroxy-4-(1-hydroxyethyl)-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262322,7308,QUA
"(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid",SYSTEMATIC NAME,ACDLabs,10.04,262322,7308,QUA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,ACDLabs,10.04,262323,7308,DHA
2-aminoprop-2-enoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262323,7308,DHA
"(3R)-2,3,4,5-tetrahydropyridin-3-amine",SYSTEMATIC NAME,ACDLabs,10.04,262324,7308,XBB
"(3R)-2,3,4,5-tetrahydropyridin-3-amine",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262324,7308,XBB
2-aminoprop-2-enamide,SYSTEMATIC NAME,ACDLabs,10.04,262325,7308,PYT
2-aminoprop-2-enamide,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262325,7308,PYT
tetradecanoic acid,SYSTEMATIC NAME,ACDLabs,10.04,262342,7309,MYR
tetradecanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262342,7309,MYR
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,262369,7311,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262369,7311,NH2
calcium,SYSTEMATIC NAME,ACDLabs,10.04,262581,7321,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262581,7321,CA
"(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262753,7341,HYP
(4R)-4-hydroxy-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,262753,7341,HYP
zinc,SYSTEMATIC NAME,ACDLabs,10.04,262769,7342,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262769,7342,ZN
zinc,SYSTEMATIC NAME,ACDLabs,10.04,262835,7352,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262835,7352,ZN
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,262982,7361,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,262982,7361,NH2
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,263093,7370,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263093,7370,CU1
copper(1+),SYSTEMATIC NAME,ACDLabs,10.04,263131,7375,CU1
copper(+1) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263131,7375,CU1
zinc,SYSTEMATIC NAME,ACDLabs,10.04,263148,7376,ZN
zinc(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263148,7376,ZN
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,263317,7390,HEC
"1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane",SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263318,7390,FES
di-mu-sulfidediiron,SYSTEMATIC NAME,ACDLabs,10.04,263318,7390,FES
copper(+1) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,263445,7406,CU1
cadmium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,263571,7414,CD
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263636,7416,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263636,7416,CA
terbium(3+),SYSTEMATIC NAME,ACDLabs,10.04,263637,7416,TB
terbium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263637,7416,TB
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263659,7417,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263659,7417,CA
Dysprosium(+3) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,263660,7417,DY
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263682,7418,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263682,7418,CA
Thulium(+3) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,263683,7418,TM
lutetium,SYSTEMATIC NAME,ACDLabs,10.04,263750,7422,LU
lutetium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263750,7422,LU
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263769,7423,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263769,7423,CA
ytterbium(3+),SYSTEMATIC NAME,ACDLabs,10.04,263770,7423,YB
ytterbium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263770,7423,YB
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263794,7424,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263794,7424,CA
terbium(3+),SYSTEMATIC NAME,ACDLabs,10.04,263795,7424,TB
terbium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263795,7424,TB
calcium,SYSTEMATIC NAME,ACDLabs,10.04,263819,7425,CA
calcium(+2) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263819,7425,CA
Tulium(3+),SYSTEMATIC NAME,ACDLabs,10.04,263820,7425,TM
Tulium(+3) cation,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263820,7425,TM
(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,263887,7429,PTR
O-phosphono-L-tyrosine,SYSTEMATIC NAME,ACDLabs,10.04,263887,7429,PTR
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264052,758,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264067,759,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264095,760,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264110,761,HEC
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,264124,779,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264124,779,NH2
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264240,811,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,264240,811,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264254,812,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,264254,812,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264268,813,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,264268,813,AYA
(2S)-2-acetamidopropanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264282,814,AYA
N-acetyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,264282,814,AYA
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264348,846,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,264348,846,AME
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,264388,86,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264388,86,ACE
2-methyl-L-alanine,SYSTEMATIC NAME,ACDLabs,10.04,264389,86,AIB
2-amino-2-methyl-propanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264389,86,AIB
(2S)-2-amino-3-phenylpropan-1-ol,SYSTEMATIC NAME,ACDLabs,10.04,264390,86,PHL
(2S)-2-amino-3-phenyl-propan-1-ol,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264390,86,PHL
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264403,862,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,264403,862,AME
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264417,87,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,264417,87,PCA
ammonia,SYSTEMATIC NAME,ACDLabs,10.04,264418,87,NH2
l^{2}-azane,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264418,87,NH2
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264433,877,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,264434,877,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264434,877,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264449,878,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,264450,878,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264450,878,M3L
(2S)-5-oxopyrrolidine-2-carboxylic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264543,9,PCA
5-oxo-L-proline,SYSTEMATIC NAME,ACDLabs,10.04,264543,9,PCA
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,264738,922,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264738,922,M3L
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264739,922,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264755,923,HEC
"N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium",SYSTEMATIC NAME,ACDLabs,10.04,264756,923,M3L
[(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264756,923,M3L
(2S)-2-acetamido-4-methylsulfanyl-butanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264783,934,AME
N-acetyl-L-methionine,SYSTEMATIC NAME,ACDLabs,10.04,264783,934,AME
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264863,944,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,264863,944,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264864,944,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264892,946,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,264892,946,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264893,946,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264908,947,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,264908,947,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264909,947,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264924,948,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,264924,948,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264925,948,HEC
2-acetamidoethanoic acid,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,264940,949,AAC
N-acetylglycine,SYSTEMATIC NAME,ACDLabs,10.04,264940,949,AAC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,264941,949,HEC
calcium(+2) cation,SYSTEMATIC NAME,OpenEye/Lexichem,1.4,264970,9500,CA
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,265132,968,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,265147,969,HEC
acetaldehyde,SYSTEMATIC NAME,ACDLabs,10.04,265161,97,ACE
ethanal,SYSTEMATIC NAME,OpenEye OEToolkits,1.5.0,265161,97,ACE
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,265176,970,HEC
"{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron",SYSTEMATIC NAME,ACDLabs,10.04,265192,971,HEC