smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC([O-])=C(C(C)=O)C(=O)[C@]32C)CO1	ZINC001233567284	1066428514	/nfs/dbraw/zinc/42/85/14/1066428514.db2.gz	BHSSOKHMYUCLCX-IGAWSHEKSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(=C(C)[O-])C(=O)[C@]32C)CO1	ZINC001233567284	1066428512	/nfs/dbraw/zinc/42/85/12/1066428512.db2.gz	BHSSOKHMYUCLCX-IGAWSHEKSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC([O-])=C(C(C)=O)C(=O)[C@@]32C)CO1	ZINC001233567295	1066428303	/nfs/dbraw/zinc/42/83/03/1066428303.db2.gz	BHSSOKHMYUCLCX-KAUISLPUSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(=C(C)[O-])C(=O)[C@@]32C)CO1	ZINC001233567295	1066428299	/nfs/dbraw/zinc/42/82/99/1066428299.db2.gz	BHSSOKHMYUCLCX-KAUISLPUSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC([O-])=C(C(C)=O)C(=O)[C@]32C)CO1	ZINC001233567296	1066428398	/nfs/dbraw/zinc/42/83/98/1066428398.db2.gz	BHSSOKHMYUCLCX-KGTZKKPUSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(=C(C)[O-])C(=O)[C@]32C)CO1	ZINC001233567296	1066428393	/nfs/dbraw/zinc/42/83/93/1066428393.db2.gz	BHSSOKHMYUCLCX-KGTZKKPUSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC([O-])=C(C(C)=O)C(=O)[C@@]32C)CO1	ZINC001233567297	1066428525	/nfs/dbraw/zinc/42/85/25/1066428525.db2.gz	BHSSOKHMYUCLCX-YQJQBTSBSA-N	-1	1	500.500	2.284	20	30		KEEDMM
CCOC(=O)[C@@H]1CC[C@H](Oc2c3c(c(C(C)=O)c(O)c2C)OC2=CC(=O)C(=C(C)[O-])C(=O)[C@@]32C)CO1	ZINC001233567297	1066428523	/nfs/dbraw/zinc/42/85/23/1066428523.db2.gz	BHSSOKHMYUCLCX-YQJQBTSBSA-N	-1	1	500.500	2.284	20	30		KEEDMM