smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000001856584	206393223	/nfs/dbraw/zinc/39/32/23/206393223.db2.gz	WWJKGAUJDBLIOQ-RYUDHWBXSA-N	-2	3	387.329	-0.843	1	0		GBAFHL
[NH3+][C@@H](CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000001856585	206393129	/nfs/dbraw/zinc/39/31/29/206393129.db2.gz	WWJKGAUJDBLIOQ-NWDGAFQWSA-N	-2	3	387.329	-0.843	1	0		GBAFHL
Cc1ncc(COP(=O)([O-])[O-])c(C[NH2+][C@H](/C=C/OCC[NH3+])C(=O)[O-])c1[O-]	ZINC000002047729	209343552	/nfs/dbraw/zinc/34/35/52/209343552.db2.gz	ZYLUFTNLRAGXLR-FXMSTWTQSA-N	-2	3	391.317	-0.263	1	0	in-vivo	GBAFHL
CC(=O)NCc1nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc2n1C	ZINC000003587269	204014813	/nfs/dbraw/zinc/01/48/13/204014813.db2.gz	LHFFAAQARRZPHB-LLVKDONJSA-N	-3	3	398.312	-0.430	1	0		GBAFHL
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1Br	ZINC000003871104	204021199	/nfs/dbraw/zinc/02/11/99/204021199.db2.gz	LHLHVDBXXZVYJT-LYFYHCNISA-N	-3	3	387.079	-0.943	1	0		GBAFHL
O=c1[nH]c2c(n3cc(P(=O)([O-])[O-])nc13)Cc1c-2cccc1Cc1nn[n-]n1	ZINC000003937074	204020760	/nfs/dbraw/zinc/02/07/60/204020760.db2.gz	LWLAOBAISBHIQP-UHFFFAOYSA-N	-3	3	385.280	-0.499	1	0		GBAFHL
O=c1[nH]c2c(n3cc(P(=O)([O-])[O-])nc13)Cc1c-2cccc1Cc1nnn[n-]1	ZINC000003937074	204020758	/nfs/dbraw/zinc/02/07/58/204020758.db2.gz	LWLAOBAISBHIQP-UHFFFAOYSA-N	-3	3	385.280	-0.499	1	0		GBAFHL
Cc1nc(C)c(N2CCN(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC2)c(=O)[n-]1	ZINC000017256917	210208352	/nfs/dbraw/zinc/20/83/52/210208352.db2.gz	IRWDTEWCJYOAMI-NSHDSACASA-N	-3	3	381.389	-0.464	1	0		GBAFHL
O=C([O-])c1cc(OC(C(=O)[O-])C(=O)[O-])cc(O[C@@H](C(=O)[O-])P(=O)([O-])[O-])c1	ZINC000026717804	207317941	/nfs/dbraw/zinc/31/79/41/207317941.db2.gz	FAKOXXUOHIZFQH-GFCCVEGCSA-N	-6	3	394.181	-0.731	1	0		GBAFHL
O=C([O-])c1cc(OC(C(=O)[O-])C(=O)[O-])cc(O[C@H](C(=O)[O-])P(=O)([O-])[O-])c1	ZINC000026717809	207318412	/nfs/dbraw/zinc/31/84/12/207318412.db2.gz	FAKOXXUOHIZFQH-LBPRGKRZSA-N	-6	3	394.181	-0.731	1	0		GBAFHL
COc1cccc(C(=O)NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1OC	ZINC000028474648	207342275	/nfs/dbraw/zinc/34/22/75/207342275.db2.gz	KBDGNBWMTZJBGB-UHFFFAOYSA-N	-4	3	399.229	-0.175	1	0		GBAFHL
C[C@H](Cn1cnc2c1nc(N)nc2NCP(=O)([O-])[O-])OCP(=O)([O-])[O-]	ZINC000095588493	211280487	/nfs/dbraw/zinc/28/04/87/211280487.db2.gz	BFMRNIZKIOJGDZ-ZCFIWIBFSA-N	-4	3	396.237	-0.504	1	0		GBAFHL
Nc1nc2c(c(=O)[n-]1)NC1=C([S-])C(S)[C@@H](COP(=O)([O-])[O-])O[C@H]1N2	ZINC000100028703	574417204	/nfs/dbraw/zinc/41/72/04/574417204.db2.gz	HPEUEJRPDGMIMY-TYEAWYSZSA-N	-4	3	395.359	-0.124	1	0	endogenous,in-man	GBAFHL
Nc1nc2c(c(=O)[n-]1)NC1=C([S-])C(S)[C@H](COP(=O)([O-])[O-])O[C@H]1N2	ZINC000100028707	574417206	/nfs/dbraw/zinc/41/72/06/574417206.db2.gz	HPEUEJRPDGMIMY-JJVZEJPGSA-N	-4	3	395.359	-0.124	1	0	endogenous,in-man	GBAFHL
Nc1nc2c(c(=O)[n-]1)NC1=C([S-])C(S)[C@H](COP(=O)([O-])[O-])O[C@H]1N2	ZINC000100205890	571802651	/nfs/dbraw/zinc/80/26/51/571802651.db2.gz	HPEUEJRPDGMIMY-CRGLPSSASA-N	-4	3	395.359	-0.537	1	0	endogenous,in-vivo	GBAFHL