smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(S(=O)(=O)N=C([O-])Nc2nc(C)nc(OC)n2)cs1	ZINC000026893053	530152974	/nfs/dbraw/zinc/15/29/74/530152974.db2.gz	XGLGLSIMNJCEAY-UHFFFAOYSA-N	-1	1	387.399	0.752	40	30		GCEBMM
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)Nc2nc(C)nc(OC)n2)cs1	ZINC000026893053	530152978	/nfs/dbraw/zinc/15/29/78/530152978.db2.gz	XGLGLSIMNJCEAY-UHFFFAOYSA-N	-1	1	387.399	0.752	40	30		GCEBMM
COCCN1C(=O)C(=CNN=C2c3ccccc3N(C)C2=O)C(=O)[N-]C1=S	ZINC000006935177	570499346	/nfs/dbraw/zinc/49/93/46/570499346.db2.gz	UFHNBQVTMUIVNB-ZEQSIELKSA-N	-1	1	387.421	0.571	40	30		GCEBMM
Cc1c2cccc(O)c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000004879692	204085958	/nfs/dbraw/zinc/08/59/58/204085958.db2.gz	UEDQTQIXNDMDID-FHZGZLOMSA-N	-1	1	383.356	0.916	40	30	in-vitro	GCEBMM
Cc1c2cccc(O)c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@@]1(O)C2=O	ZINC000004879690	570414716	/nfs/dbraw/zinc/41/47/16/570414716.db2.gz	UEDQTQIXNDMDID-SQFXPLBJSA-N	-1	1	383.356	0.916	40	30		GCEBMM
N#Cc1ccc(CNC(=O)[C@@H]2Cc3nc[nH]c3CN2C(=O)CCC(=O)[O-])cc1	ZINC000015676178	221338853	/nfs/dbraw/zinc/33/88/53/221338853.db2.gz	YUCUZQBSWSFPLJ-INIZCTEOSA-N	-1	1	381.392	0.716	40	30	biogenic,in-vitro	GCEBMM
COC(=O)c1ccc(O)cc1S(=O)(=O)N=C([O-])Nc1nc(C)nc(OC)n1	ZINC000031518081	570950979	/nfs/dbraw/zinc/95/09/79/570950979.db2.gz	YDQFJWNPRLHOFT-UHFFFAOYSA-N	-1	1	397.369	0.396	40	30		GCEBMM
COC(=O)c1ccc(O)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	ZINC000031518081	570950984	/nfs/dbraw/zinc/95/09/84/570950984.db2.gz	YDQFJWNPRLHOFT-UHFFFAOYSA-N	-1	1	397.369	0.396	40	30		GCEBMM
CN1C(=O)/C(=C\c2ccc(CN(CCC#N)S(C)(=O)=O)o2)C(=O)[N-]C1=S	ZINC000409147397	530039606	/nfs/dbraw/zinc/03/96/06/530039606.db2.gz	XLIYHNYVOLFEPJ-WQLSENKSSA-N	-1	1	396.450	0.211	40	30		GCEBMM
Cc1c2cccc(O)c2c(O)c2c1C[C@@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000004879685	570414791	/nfs/dbraw/zinc/41/47/91/570414791.db2.gz	UEDQTQIXNDMDID-ZPWHCFADSA-N	-1	1	383.356	0.916	40	30		GCEBMM
Cc1c2cccc(O)c2c(O)c2c1C[C@H]1CC([O-])=C(C(N)=O)C(=O)[C@]1(O)C2=O	ZINC000004879687	570414743	/nfs/dbraw/zinc/41/47/43/570414743.db2.gz	UEDQTQIXNDMDID-FFVOIRBGSA-N	-1	1	383.356	0.916	40	30		GCEBMM