smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc([O-])c(N=Nc2ccc(F)cc2F)c(=O)[n-]1	ZINC000017752195	533077408	/nfs/dbraw/zinc/07/74/08/533077408.db2.gz	WARCUVVJOPINGX-WUKNDPDISA-N	-2	1	298.274	2.891	50	10		CFCAML
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C([O-])=C1	ZINC000003882219	371823046	/nfs/dbraw/zinc/82/30/46/371823046.db2.gz	MHKGJUOEEHNBLE-BUHFOSPRSA-N	-2	1	294.288	2.760	50	10	endogenous,in-man	CFCAML
CC(=C1SC(=S)N=C1[O-])c1ccc(Cl)c([O-])c1	ZINC000001319414	527510366	/nfs/dbraw/zinc/51/03/66/527510366.db2.gz	LMXHQXJTJXHYKD-WEVVVXLNSA-N	-2	1	285.777	2.925	50	10		CFCAML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccs1	ZINC000000073737	371523201	/nfs/dbraw/zinc/52/32/01/371523201.db2.gz	UBSQSQLJOBQCJF-UHFFFAOYSA-N	-2	1	289.765	2.908	50	10		CFCAML
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])cc2)C([O-])=C1	ZINC000012405050	371960860	/nfs/dbraw/zinc/96/08/60/371960860.db2.gz	MHKGJUOEEHNBLE-UHFFFAOYSA-N	-2	1	294.288	2.760	50	10	endogenous,in-man	CFCAML
O=[P@H]([O-])[C@@H](NCc1ccccc1)c1ccccc1O	ZINC000020518768	372239958	/nfs/dbraw/zinc/23/99/58/372239958.db2.gz	TZZIAOCMNWAYIC-CQSZACIVSA-N	-2	1	277.260	2.648	50	10		CFCAML
O=[P@H]([O-])[C@H](NCc1ccccc1)c1ccccc1O	ZINC000020518771	372238785	/nfs/dbraw/zinc/23/87/85/372238785.db2.gz	TZZIAOCMNWAYIC-AWEZNQCLSA-N	-2	1	277.260	2.648	50	10		CFCAML