smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(OC)c([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217800567	569881561	/nfs/dbraw/zinc/88/15/61/569881561.db2.gz	GITVKERNERUSQC-CYBMUJFWSA-N	-1	0	454.431	3.476	50	70		JGIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	ZINC000217949623	569882206	/nfs/dbraw/zinc/88/22/06/569882206.db2.gz	KTLUNNJYNVVQAJ-CQSZACIVSA-N	-1	0	482.441	3.393	50	70		JGIARM
COc1ccc2cc([C@@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	ZINC000217996269	569882357	/nfs/dbraw/zinc/88/23/57/569882357.db2.gz	PUXZIGGVCKFBNU-AWEZNQCLSA-N	-1	0	461.426	3.301	50	70		JGIARM
COC(=O)COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000218051857	569882565	/nfs/dbraw/zinc/88/25/65/569882565.db2.gz	RPCRSZXPYFDMRE-AWEZNQCLSA-N	-1	0	482.441	3.011	50	70		JGIARM
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)cc2c1	ZINC000217980689	569882310	/nfs/dbraw/zinc/88/23/10/569882310.db2.gz	LSEHBNRDWOXAHW-AWEZNQCLSA-N	-1	0	461.426	3.301	50	70		JGIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1OC	ZINC000218039290	569882501	/nfs/dbraw/zinc/88/25/01/569882501.db2.gz	HFSQUBMBYCFHFF-CYBMUJFWSA-N	-1	0	454.431	3.476	50	70		JGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1OC	ZINC000218039202	569882526	/nfs/dbraw/zinc/88/25/26/569882526.db2.gz	HFSQUBMBYCFHFF-ZDUSSCGKSA-N	-1	0	454.431	3.476	50	70		JGIARM
COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c([O-])c3c(C)cc(=O)oc3c21	ZINC000217944783	569882165	/nfs/dbraw/zinc/88/21/65/569882165.db2.gz	ZZIHZQLUUGZWIQ-AWEZNQCLSA-N	-1	0	452.415	3.002	50	70		JGIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc2c1OCCO2	ZINC000217938358	569882224	/nfs/dbraw/zinc/88/22/24/569882224.db2.gz	UQZFCHAEENSVAW-CYBMUJFWSA-N	-1	0	452.415	3.230	50	70		JGIARM
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)cc2c1	ZINC000217980776	569882257	/nfs/dbraw/zinc/88/22/57/569882257.db2.gz	LSEHBNRDWOXAHW-CQSZACIVSA-N	-1	0	461.426	3.301	50	70		JGIARM
COc1ccc2cc([C@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)c(=O)[nH]c2c1	ZINC000217996353	569882345	/nfs/dbraw/zinc/88/23/45/569882345.db2.gz	PUXZIGGVCKFBNU-CQSZACIVSA-N	-1	0	461.426	3.301	50	70		JGIARM
COC(=O)COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OC	ZINC000218006018	569882365	/nfs/dbraw/zinc/88/23/65/569882365.db2.gz	LVWKJAWSIYKVOA-CQSZACIVSA-N	-1	0	482.441	3.011	50	70		JGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc(OC)c1OC(C)=O	ZINC000217949540	569882213	/nfs/dbraw/zinc/88/22/13/569882213.db2.gz	KTLUNNJYNVVQAJ-AWEZNQCLSA-N	-1	0	482.441	3.393	50	70		JGIARM
COC(=O)COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OC	ZINC000218005934	569882343	/nfs/dbraw/zinc/88/23/43/569882343.db2.gz	LVWKJAWSIYKVOA-AWEZNQCLSA-N	-1	0	482.441	3.011	50	70		JGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc2c1OCCO2	ZINC000217938278	569882233	/nfs/dbraw/zinc/88/22/33/569882233.db2.gz	UQZFCHAEENSVAW-ZDUSSCGKSA-N	-1	0	452.415	3.230	50	70		JGIARM
COC(=O)COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000218051923	569882602	/nfs/dbraw/zinc/88/26/02/569882602.db2.gz	RPCRSZXPYFDMRE-CQSZACIVSA-N	-1	0	482.441	3.011	50	70		JGIARM
COc1cc(OC)c([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217800483	569881580	/nfs/dbraw/zinc/88/15/80/569881580.db2.gz	GITVKERNERUSQC-ZDUSSCGKSA-N	-1	0	454.431	3.476	50	70		JGIARM
COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c([O-])c3c(C)cc(=O)oc3c21	ZINC000217944858	569882172	/nfs/dbraw/zinc/88/21/72/569882172.db2.gz	ZZIHZQLUUGZWIQ-CQSZACIVSA-N	-1	0	452.415	3.002	50	70		JGIARM