smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c[nH]c(NC(=O)c2ccc(O)c(C#N)c2)n1	ZINC001193499878	746121396	/nfs/dbraw/zinc/12/13/96/746121396.db2.gz	WTNYDDUZTSXTBF-UHFFFAOYSA-N	-2	2	300.274	1.416	20	30		DDEDLL
CCOC(=O)c1c[nH]c(NC(=O)c2ccc([O-])c(C#N)c2)n1	ZINC001193499878	746121398	/nfs/dbraw/zinc/12/13/98/746121398.db2.gz	WTNYDDUZTSXTBF-UHFFFAOYSA-N	-2	2	300.274	1.416	20	30		DDEDLL
N#Cc1cccc(-c2cc(O)cc(C(=O)NCc3nn[nH]n3)c2)c1	ZINC001196321046	746831859	/nfs/dbraw/zinc/83/18/59/746831859.db2.gz	UDXGUAOXDTYZPA-UHFFFAOYSA-N	-2	2	320.312	1.374	20	30		DDEDLL
CCOC(=O)c1nc(NS(=O)(=O)c2cccc(C#N)c2)c[nH]1	ZINC000618906739	363792663	/nfs/dbraw/zinc/79/26/63/363792663.db2.gz	VUEWNHKUSDBZJL-UHFFFAOYSA-N	-2	2	320.330	1.259	20	30		DDEDLL
N#Cc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1O	ZINC000615427450	362284545	/nfs/dbraw/zinc/28/45/45/362284545.db2.gz	UDFYLWZASMXIKO-CQSZACIVSA-N	-2	2	320.312	1.296	20	30		DDEDLL
N#Cc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)cc1O	ZINC000615427445	362283850	/nfs/dbraw/zinc/28/38/50/362283850.db2.gz	UDFYLWZASMXIKO-AWEZNQCLSA-N	-2	2	320.312	1.296	20	30		DDEDLL
CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)c[nH]1	ZINC000618906679	363792216	/nfs/dbraw/zinc/79/22/16/363792216.db2.gz	TZOJTXCLSZCTNI-UHFFFAOYSA-N	-2	2	320.330	1.259	20	30		DDEDLL
Cc1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)n[nH]2)o1	ZINC000174947194	408013418	/nfs/dbraw/zinc/01/34/18/408013418.db2.gz	SZLGALNMQLVDKP-UHFFFAOYSA-N	-2	2	307.273	1.697	20	30		DDEDLL