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-])CNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1-2	ZINC000002328680	562927000	/nfs/dbraw/zinc/92/70/00/562927000.db2.gz	XGGHNRIPJQDQFT-UHFFFAOYSA-N	-2	0	440.455	-0.016	50	0		IBAARL
Cn1c([O-])c([C@@H]2O[C@H](c3c([O-])n(C)c(=O)n(C)c3=O)c3ccccc32)c(=O)n(C)c1=O	ZINC000002422110	569302155	/nfs/dbraw/zinc/30/21/55/569302155.db2.gz	ZJEXGDUZXUAQOB-UONOGXRCSA-N	-2	0	428.401	-0.383	50	0		IBAARL
Cn1c([O-])c([C@H]2O[C@H](c3c([O-])n(C)c(=O)n(C)c3=O)c3ccccc32)c(=O)n(C)c1=O	ZINC000002422111	569302064	/nfs/dbraw/zinc/30/20/64/569302064.db2.gz	ZJEXGDUZXUAQOB-KBPBESRZSA-N	-2	0	428.401	-0.383	50	0		IBAARL
Cn1c([O-])c([C@@H]2O[C@@H](c3c([O-])n(C)c(=O)n(C)c3=O)c3ccccc32)c(=O)n(C)c1=O	ZINC000002422112	569302058	/nfs/dbraw/zinc/30/20/58/569302058.db2.gz	ZJEXGDUZXUAQOB-ZIAGYGMSSA-N	-2	0	428.401	-0.383	50	0		IBAARL
Cn1c([O-])c([C@@H]2O[C@H](c3c([O-])n(C)c(=O)n(C)c3=O)c3ccccc32)c(=O)n(C)c1=O	ZINC000002422113	569302151	/nfs/dbraw/zinc/30/21/51/569302151.db2.gz	ZJEXGDUZXUAQOB-KGLIPLIRSA-N	-2	0	428.401	-0.383	50	0		IBAARL
CNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O1	ZINC000003985980	555952135	/nfs/dbraw/zinc/95/21/35/555952135.db2.gz	CCPLITQNIFLYQB-XLPZGREQSA-N	-4	0	425.231	-0.257	50	0	in-vitro	IBAARL
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2	ZINC000004228235	555977796	/nfs/dbraw/zinc/97/77/96/555977796.db2.gz	MSTNYGQPCMXVAQ-NEPJUHHUSA-N	-2	0	445.436	-0.282	50	0	metabolite,world	IBAARL
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2	ZINC000004228237	555977744	/nfs/dbraw/zinc/97/77/44/555977744.db2.gz	MSTNYGQPCMXVAQ-RYUDHWBXSA-N	-2	0	445.436	-0.282	50	0	endogenous,world	IBAARL
Nc1c2cc(S(=O)(=O)[O-])cc3c2c(cc1S(=O)(=O)[O-])C(=O)N(CCCO)C3=O	ZINC000095471048	569371808	/nfs/dbraw/zinc/37/18/08/569371808.db2.gz	PLAZFDVJHDUAEB-UHFFFAOYSA-N	-2	0	430.416	-0.106	50	0		IBAARL