smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H](O)c2c(O)[nH]c(=S)[nH]c2=O)c(C(=O)[O-])c1OC	ZINC000002051862	483688023	/nfs/dbraw/zinc/68/80/23/483688023.db2.gz	JKXBWXNUWYJAMF-VIFPVBQESA-N	-1	2	354.340	-0.418	50	0		FBAALM
COc1ccc([C@@H](O)c2c(O)[nH]c(=S)[nH]c2=O)c(C(=O)[O-])c1OC	ZINC000002051863	209394287	/nfs/dbraw/zinc/39/42/87/209394287.db2.gz	JKXBWXNUWYJAMF-SECBINFHSA-N	-1	2	354.340	-0.418	50	0		FBAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000002516287	483400530	/nfs/dbraw/zinc/40/05/30/483400530.db2.gz	CACCSKNYAUKFAV-VGMNWLOBSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000002516287	483400525	/nfs/dbraw/zinc/40/05/25/483400525.db2.gz	CACCSKNYAUKFAV-VGMNWLOBSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)C[C@@H]1O	ZINC000004533489	207026742	/nfs/dbraw/zinc/02/67/42/207026742.db2.gz	CACCSKNYAUKFAV-CIUDSAMLSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](n2cnc3c4nccn4cnc32)C[C@@H]1O	ZINC000004533489	207026737	/nfs/dbraw/zinc/02/67/37/207026737.db2.gz	CACCSKNYAUKFAV-CIUDSAMLSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@@H]1O	ZINC000004533490	483411097	/nfs/dbraw/zinc/41/10/97/483411097.db2.gz	CACCSKNYAUKFAV-XHNCKOQMSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@@H]1O	ZINC000004533490	483411092	/nfs/dbraw/zinc/41/10/92/483411092.db2.gz	CACCSKNYAUKFAV-XHNCKOQMSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000004533492	483410927	/nfs/dbraw/zinc/41/09/27/483410927.db2.gz	CACCSKNYAUKFAV-HRDYMLBCSA-N	-1	2	355.247	-0.163	50	0		FBAALM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](n2cnc3c4nccn4cnc32)C[C@H]1O	ZINC000004533492	483410923	/nfs/dbraw/zinc/41/09/23/483410923.db2.gz	CACCSKNYAUKFAV-HRDYMLBCSA-N	-1	2	355.247	-0.163	50	0		FBAALM
COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C(=O)N1CC[NH+](C)CC1	ZINC000020646668	220337545	/nfs/dbraw/zinc/33/75/45/220337545.db2.gz	WEIMNBSKLPQJTR-UHFFFAOYSA-N	-1	2	368.415	-0.345	50	0		FBAALM
COc1ccc([C@@H](O)c2c(O)n(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1OC	ZINC000075278198	483912164	/nfs/dbraw/zinc/91/21/64/483912164.db2.gz	LOZJDBMJMWQLOT-LLVKDONJSA-N	-1	2	366.326	-0.413	50	0		FBAALM
COc1ccc([C@H](O)c2c(O)n(C)c(=O)n(C)c2=O)c(C(=O)[O-])c1OC	ZINC000075278199	483912500	/nfs/dbraw/zinc/91/25/00/483912500.db2.gz	LOZJDBMJMWQLOT-NSHDSACASA-N	-1	2	366.326	-0.413	50	0		FBAALM
O=C([O-])C[N@H+]1CCN(Cc2cccc(C(=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077302295	483744165	/nfs/dbraw/zinc/74/41/65/483744165.db2.gz	IEAWSFBLCQNTCW-UONOGXRCSA-N	-1	2	368.411	-0.247	50	0		FBAALM
O=C([O-])C[N@@H+]1CCN(Cc2cccc(C(=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000077302295	483744161	/nfs/dbraw/zinc/74/41/61/483744161.db2.gz	IEAWSFBLCQNTCW-UONOGXRCSA-N	-1	2	368.411	-0.247	50	0		FBAALM
Cc1cc(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](C3CC3)C2)nc[nH+]1	ZINC000091794113	483796634	/nfs/dbraw/zinc/79/66/34/483796634.db2.gz	WIXQTQBYXJFQMW-OLZOCXBDSA-N	-1	2	358.402	-0.332	50	0		FBAALM
Cc1c(C)[n+]([O-])c([C@@H](CC(C)C)c2c(O)[nH]c(=O)[nH]c2=O)n1CC(=O)[O-]	ZINC000409415445	484258593	/nfs/dbraw/zinc/25/85/93/484258593.db2.gz	ITUTWCGEIFUVDM-JTQLQIEISA-N	-1	2	366.374	-0.065	50	0		FBAALM
Cc1c(C)[n+]([O-])c([C@H](CC(C)C)c2c(O)[nH]c(=O)[nH]c2=O)n1CC(=O)[O-]	ZINC000409415446	483891366	/nfs/dbraw/zinc/89/13/66/483891366.db2.gz	ITUTWCGEIFUVDM-SNVBAGLBSA-N	-1	2	366.374	-0.065	50	0		FBAALM
Cc1c(C)[n+]([O-])c([C@H](c2c(O)[nH]c(=O)[nH]c2=O)C(C)C)n1CC(=O)[O-]	ZINC000409415701	484258502	/nfs/dbraw/zinc/25/85/02/484258502.db2.gz	YZJYBYJPKKSOST-JTQLQIEISA-N	-1	2	352.347	-0.455	50	0		FBAALM
Cc1c(C)[n+]([O-])c([C@@H](c2c(O)[nH]c(=O)[nH]c2=O)C(C)C)n1CC(=O)[O-]	ZINC000409415702	484258834	/nfs/dbraw/zinc/25/88/34/484258834.db2.gz	YZJYBYJPKKSOST-SNVBAGLBSA-N	-1	2	352.347	-0.455	50	0		FBAALM