smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CS	ZINC000013600073	182006416	/nfs/dbraw/zinc/00/64/16/182006416.db2.gz	CSHODVSRCYFEOH-LURJTMIESA-N	-1	1	229.261	-0.549	1	30		BBEFMM
O=C([O-])[C@@H]1[NH2+]CCC=C1C(=O)C[P@@](=O)([O-])O	ZINC000026282459	182006109	/nfs/dbraw/zinc/00/61/09/182006109.db2.gz	IFJJQKWMXMYVOU-SSDOTTSWSA-N	-1	1	249.159	-0.894	1	30		BBEFMM
CC(=O)N(O)C[C@H]1C[C@H]1[P@](=O)([O-])O	ZINC000036184615	187259131	/nfs/dbraw/zinc/25/91/31/187259131.db2.gz	LUPJKMGSDFIKFE-PHDIDXHHSA-N	-1	1	209.138	-0.210	1	30		BBEFMM
CC(=O)N(O)CC[C@@H](O)[P@](=O)([O-])O	ZINC000095596627	188320630	/nfs/dbraw/zinc/32/06/30/188320630.db2.gz	AVNNUNHSRLYFAG-YFKPBYRVSA-N	-1	1	213.126	-0.890	1	30		BBEFMM
C[C@@H](O)[C@@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100388143	574418150	/nfs/dbraw/zinc/41/81/50/574418150.db2.gz	FDQJJJBZOFGRBS-NQXXGFSBSA-N	-1	1	222.266	-0.974	1	30	endogenous,in-vitro	BBEFMM
C[C@H](O)[C@@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100388149	574418170	/nfs/dbraw/zinc/41/81/70/574418170.db2.gz	FDQJJJBZOFGRBS-WVZVXSGGSA-N	-1	1	222.266	-0.974	1	30	endogenous,in-vitro	BBEFMM
C[C@@H](O)[C@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100388154	571809809	/nfs/dbraw/zinc/80/98/09/571809809.db2.gz	FDQJJJBZOFGRBS-WUJLRWPWSA-N	-1	1	222.266	-0.974	1	30	endogenous,in-vitro	BBEFMM
C[C@H](O)[C@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100388157	574418154	/nfs/dbraw/zinc/41/81/54/574418154.db2.gz	FDQJJJBZOFGRBS-UCORVYFPSA-N	-1	1	222.266	-0.974	1	30	endogenous,in-vitro	BBEFMM
CCCNC1=NC(=O)N(C)C(=O)/C1=N/[O-]	ZINC000101831596	169255602	/nfs/dbraw/zinc/25/56/02/169255602.db2.gz	UWOPLEIQIJITFN-VZUCSPMQSA-N	-1	1	212.209	-0.193	1	30		BBEFMM