smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](NC(=O)Cn1ccc2c(=O)[n-]c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000001538428	209332871	/nfs/dbraw/zinc/33/28/71/209332871.db2.gz	QADJONDJPFYFSA-SECBINFHSA-N	-1	3	388.302	-0.350	1	0		GBAFHM
CC(C)[C@H](NC(=O)Cn1ccc2c(=O)[n-]c(=O)[nH]c2c1=O)C(=O)C(F)(F)F	ZINC000013746975	210087806	/nfs/dbraw/zinc/08/78/06/210087806.db2.gz	QADJONDJPFYFSA-VIFPVBQESA-N	-1	3	388.302	-0.350	1	0		GBAFHM
CC(=O)N[C@H]1[C@H](C(=O)N(CCO)CCc2ccccc2)OC(C(=O)[O-])=C[C@@H]1N	ZINC000013778770	204512760	/nfs/dbraw/zinc/51/27/60/204512760.db2.gz	WZTMLZINVZPVKQ-USXIJHARSA-N	-1	3	391.424	-0.751	1	0		GBAFHM
CC(=O)c1c(C)cc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2c1[O-]	ZINC000014413061	574048808	/nfs/dbraw/zinc/04/88/08/574048808.db2.gz	VJDBDVUFFPRHSF-NOFZEOBUSA-N	-1	3	394.376	-0.059	1	0	endogenous,in-man	GBAFHM
CC(C)NC(=O)N([O-])c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O	ZINC000028354010	207341150	/nfs/dbraw/zinc/34/11/50/207341150.db2.gz	BPSBCEGQTVSISF-YWGZHDIYSA-N	-1	3	382.377	-0.859	1	0		GBAFHM
CO[C@@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1F	ZINC000028635355	207344690	/nfs/dbraw/zinc/34/46/90/207344690.db2.gz	HEFMHTFPQJCUQE-IFHCSVGRSA-N	-1	3	378.284	-0.622	1	0		GBAFHM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CCO[C@@H]3CNC(=O)CN)[C@H](C)[C@H]12	ZINC000029402749	207362031	/nfs/dbraw/zinc/36/20/31/207362031.db2.gz	HZHWSHCVDYPMHH-JGLPSERASA-N	-1	3	399.469	-0.894	1	0		GBAFHM
CC(=O)OCC(COC(C)=O)O[C@@H](COC(C)=O)n1cnc2c1nc[n-]c2=O	ZINC000029566796	207365559	/nfs/dbraw/zinc/36/55/59/207365559.db2.gz	XRWFCUZYTONSIA-ZDUSSCGKSA-N	-1	3	396.356	-0.307	1	0		GBAFHM
Cc1cc(=O)c2c([O-])c(C)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2o1	ZINC000032092572	291097653	/nfs/dbraw/zinc/09/76/53/291097653.db2.gz	SYRSLDAOMRWYGP-FRRILYKYSA-N	-1	3	382.365	-0.397	1	0	biogenic,in-vitro	GBAFHM
Cc1cc([O-])c2c(=O)c(C)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c-2o1	ZINC000032092572	291097652	/nfs/dbraw/zinc/09/76/52/291097652.db2.gz	SYRSLDAOMRWYGP-FRRILYKYSA-N	-1	3	382.365	-0.397	1	0	biogenic,in-vitro	GBAFHM
O=CN([O-])C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCO	ZINC000034873309	204979447	/nfs/dbraw/zinc/97/94/47/204979447.db2.gz	PVFAWBIVNRXKJZ-CABCVRRESA-N	-1	3	398.460	-0.160	1	0		GBAFHM
CC(C)C(=O)O[C@H]1C=C2c3cc4c(c([O-])c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4	ZINC000040914628	205075042	/nfs/dbraw/zinc/07/50/42/205075042.db2.gz	QACXMFNNKCELIO-FWHFQCOYSA-N	-1	3	377.349	-0.081	1	0		GBAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)cc1I	ZINC000072175206	211081618	/nfs/dbraw/zinc/08/16/18/211081618.db2.gz	BJRMDAMJOPZBGQ-WYDQCIBASA-N	-1	3	390.080	-0.973	1	0		GBAFHM
COC(=O)[C@H](C)N[P@]1(=O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[n-]c3=O)C[C@@H]2O1	ZINC000084651913	205397398	/nfs/dbraw/zinc/39/73/98/205397398.db2.gz	GRHPOODIQWNVBT-BIXOVDKWSA-N	-1	3	393.264	-0.362	1	0		GBAFHM
COC(=O)[C@H](C)N[P@@]1(=O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[n-]c3=O)C[C@@H]2O1	ZINC000084651914	211173176	/nfs/dbraw/zinc/17/31/76/211173176.db2.gz	GRHPOODIQWNVBT-DSFPYTNCSA-N	-1	3	393.264	-0.362	1	0		GBAFHM
COC(=O)CN[P@@]1(=O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[n-]c3=O)C[C@@H]2O1	ZINC000084738983	208098008	/nfs/dbraw/zinc/09/80/08/208098008.db2.gz	ISCZHQIFNLNDTA-OPMKXEDSSA-N	-1	3	379.237	-0.751	1	0		GBAFHM
COC(=O)CN[P@]1(=O)OC[C@H]2O[C@@H](n3cc(F)c(=O)[n-]c3=O)C[C@@H]2O1	ZINC000084738984	222322051	/nfs/dbraw/zinc/32/20/51/222322051.db2.gz	ISCZHQIFNLNDTA-QDUZUMGDSA-N	-1	3	379.237	-0.751	1	0		GBAFHM
O=c1ccc2c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c3ccoc3c([O-])c2o1	ZINC000095911717	291098292	/nfs/dbraw/zinc/09/82/92/291098292.db2.gz	SZLNHCJQIHSOJX-LVRMRHJISA-N	-1	3	380.305	-0.577	1	0	biogenic,in-vitro	GBAFHM
C/C(=C\CO)CO[C@@H]1O[C@H](COC(=O)c2ccc([O-])cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095912289	291093375	/nfs/dbraw/zinc/09/33/75/291093375.db2.gz	NNYUPPPAKLXEOF-HEFLOINYSA-N	-1	3	384.381	-0.688	1	0	biogenic,in-vitro	GBAFHM
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c2ncnc(N)c2c2c1[n-]c(=S)[nH]c2=O	ZINC000096910278	211350225	/nfs/dbraw/zinc/35/02/25/211350225.db2.gz	NQOOTAMJFGKKPN-BFVKJHSXSA-N	-1	3	380.386	-0.674	1	0		GBAFHM