smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(C)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000005189970	173321389	/nfs/dbraw/zinc/32/13/89/173321389.db2.gz	XXZUNONBFXFHFH-UHFFFAOYSA-N	-2	2	219.070	-0.765	10	0		BBAELL
CNC(C)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005189970	173321387	/nfs/dbraw/zinc/32/13/87/173321387.db2.gz	XXZUNONBFXFHFH-UHFFFAOYSA-N	-2	2	219.070	-0.765	10	0		BBAELL
CN(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000005319514	386124267	/nfs/dbraw/zinc/12/42/67/386124267.db2.gz	VTXYPEKJZXRXJB-UHFFFAOYSA-N	-2	2	219.070	-0.811	10	0		BBAELL
CN(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000005319514	386124254	/nfs/dbraw/zinc/12/42/54/386124254.db2.gz	VTXYPEKJZXRXJB-UHFFFAOYSA-N	-2	2	219.070	-0.811	10	0		BBAELL
CC(C)N(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000005442042	346225132	/nfs/dbraw/zinc/22/51/32/346225132.db2.gz	MOJRXHQNPURCNP-UHFFFAOYSA-N	-2	2	247.124	-0.033	10	0		BBAELL
CC(C)N(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000005442042	346225122	/nfs/dbraw/zinc/22/51/22/346225122.db2.gz	MOJRXHQNPURCNP-UHFFFAOYSA-N	-2	2	247.124	-0.033	10	0		BBAELL
CCCN(CP(=O)([O-])O)C[P@](=O)([O-])O	ZINC000005647701	169171996	/nfs/dbraw/zinc/17/19/96/169171996.db2.gz	HSEVIBLFMJQZMK-UHFFFAOYSA-N	-2	2	247.124	-0.031	10	0		BBAELL
CCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O	ZINC000005647701	169171995	/nfs/dbraw/zinc/17/19/95/169171995.db2.gz	HSEVIBLFMJQZMK-UHFFFAOYSA-N	-2	2	247.124	-0.031	10	0		BBAELL
CN(C)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000005957386	172397024	/nfs/dbraw/zinc/39/70/24/172397024.db2.gz	BFDMEODWJJUORJ-UHFFFAOYSA-N	-2	2	219.070	-0.813	10	0		BBAELL
CN(C)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000005957386	172397020	/nfs/dbraw/zinc/39/70/20/172397020.db2.gz	BFDMEODWJJUORJ-UHFFFAOYSA-N	-2	2	219.070	-0.813	10	0		BBAELL
CC(=O)N(C)C(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000034064752	368322405	/nfs/dbraw/zinc/32/24/05/368322405.db2.gz	HCQBNYXCNZWKOS-UHFFFAOYSA-N	-2	2	247.080	-0.896	10	0		BBAELL
CC(=O)N(C)C(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000034064752	368322399	/nfs/dbraw/zinc/32/23/99/368322399.db2.gz	HCQBNYXCNZWKOS-UHFFFAOYSA-N	-2	2	247.080	-0.896	10	0		BBAELL
C[C@H](C(=O)[O-])[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000114094695	364240501	/nfs/dbraw/zinc/24/05/01/364240501.db2.gz	QXPNNMCHQCZFFZ-SYDPRGILSA-N	-2	2	219.193	-0.681	10	0		BBAELL
C[C@H](C(=O)[O-])[N@H+](CC(=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000114094695	364240498	/nfs/dbraw/zinc/24/04/98/364240498.db2.gz	QXPNNMCHQCZFFZ-SYDPRGILSA-N	-2	2	219.193	-0.681	10	0		BBAELL
C[C@@H](C(=O)[O-])[NH+](CC(=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000114094696	364239686	/nfs/dbraw/zinc/23/96/86/364239686.db2.gz	QXPNNMCHQCZFFZ-WHFBIAKZSA-N	-2	2	219.193	-0.681	10	0		BBAELL
C[C@H](C(=O)[O-])[NH+](CC(=O)[O-])[C@H](C)C(=O)[O-]	ZINC000114094698	364239978	/nfs/dbraw/zinc/23/99/78/364239978.db2.gz	QXPNNMCHQCZFFZ-RFZPGFLSSA-N	-2	2	219.193	-0.681	10	0		BBAELL
Nc1cc(C(=O)[O-])cc([P@](=O)([O-])O)c1	ZINC000169442690	346760561	/nfs/dbraw/zinc/76/05/61/346760561.db2.gz	VKNHHHWIVFVXCJ-UHFFFAOYSA-N	-2	2	217.117	-0.230	10	0		BBAELL
Nc1cc(C(=O)[O-])cc([P@@](=O)([O-])O)c1	ZINC000169442690	346760557	/nfs/dbraw/zinc/76/05/57/346760557.db2.gz	VKNHHHWIVFVXCJ-UHFFFAOYSA-N	-2	2	217.117	-0.230	10	0		BBAELL