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)=CCc1ccc([O-])c2oc3cc4c(c(O)c3c(=O)c12)C=CC(C)(C)O4	ZINC000014613747	207025566	/nfs/dbraw/zinc/02/55/66/207025566.db2.gz	PRFQXBVHCYUCLS-UHFFFAOYSA-N	-1	1	378.424	5.050	1	5	biogenic,in-vitro	GKBFMM
CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(cc2O1)oc1cc([O-])ccc1c3=O	ZINC000084758209	208098423	/nfs/dbraw/zinc/09/84/23/208098423.db2.gz	XMXKBMAJOOEHTP-QHCPKHFHSA-N	-1	1	378.424	5.268	1	5		GKBFMM
CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000014858767	221317791	/nfs/dbraw/zinc/31/77/91/221317791.db2.gz	LVANTWLBTIEHSX-QHCPKHFHSA-N	-1	1	378.424	5.268	1	5	endogenous,in-man	GKBFMM
O=[N+]([O-])c1cc2c(cc(-c3ccccc3)n2Cc2ccc(Cl)cc2)c([O-])c1	ZINC000072113561	222207654	/nfs/dbraw/zinc/20/76/54/222207654.db2.gz	ONMLWUPTHSNGMA-UHFFFAOYSA-N	-1	1	378.815	5.624	1	5		GKBFMM
CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4ccc([O-])cc4oc23)O1	ZINC000084758211	222321693	/nfs/dbraw/zinc/32/16/93/222321693.db2.gz	QBYSGRXGDUXAQT-QHCPKHFHSA-N	-1	1	378.424	5.268	1	5		GKBFMM
CC(C)=CCc1ccc([O-])c2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C=C4	ZINC000013412011	291145374	/nfs/dbraw/zinc/14/53/74/291145374.db2.gz	FKYXDRMARIULEK-UHFFFAOYSA-N	-1	1	378.424	5.050	1	5	biogenic,in-vitro	GKBFMM
CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(cc2O1)oc1cc([O-])ccc1c3=O	ZINC000084758208	211175866	/nfs/dbraw/zinc/17/58/66/211175866.db2.gz	XMXKBMAJOOEHTP-HSZRJFAPSA-N	-1	1	378.424	5.268	1	5		GKBFMM
CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000005841684	206262863	/nfs/dbraw/zinc/26/28/63/206262863.db2.gz	LVANTWLBTIEHSX-HSZRJFAPSA-N	-1	1	378.424	5.268	1	5	endogenous,in-man	GKBFMM
CC/C(C)=C/Cc1c(OC)c(OC)cc2oc3cc4occc4c([O-])c3c(=O)c21	ZINC000095485929	291145708	/nfs/dbraw/zinc/14/57/08/291145708.db2.gz	TVYFVYALLYHWDF-WUXMJOGZSA-N	-1	1	394.423	5.314	1	5	biogenic,in-vitro	GKBFMM
O=C1c2ccccc2-c2c1c(-c1ccc(O)cc1[O-])nc1ccc3ccccc3c21	ZINC000001860613	212259178	/nfs/dbraw/zinc/25/91/78/212259178.db2.gz	CZZATDZFUSSDNW-UHFFFAOYSA-N	-1	1	389.410	5.678	1	5		GKBFMM
CC(C)=CCc1c(=O)cc2oc3c(ccc([O-])c3CC=C(C)C)c(O)c-2c1O	ZINC000084671274	222319820	/nfs/dbraw/zinc/31/98/20/222319820.db2.gz	RVOQPECMPLUENG-UHFFFAOYSA-N	-1	1	380.440	5.080	1	5		GKBFMM
CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc([O-])c4oc13)C=CC(C)(C)O2	ZINC000005158976	291144919	/nfs/dbraw/zinc/14/49/19/291144919.db2.gz	YWHROXVOOAEFOY-UHFFFAOYSA-N	-1	1	378.424	5.050	1	5	biogenic,in-vitro	GKBFMM
CC(C)=CCc1c(O)c2c(=O)c3cccc([O-])c3oc2c2c1OC(C)(C)C=C2	ZINC000014610232	207025184	/nfs/dbraw/zinc/02/51/84/207025184.db2.gz	WPZXDFBXPYQMFK-UHFFFAOYSA-N	-1	1	378.424	5.050	1	5	biogenic,in-vitro	GKBFMM
COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc([O-])c3oc2c1CC=C(C)C	ZINC000014781062	221318285	/nfs/dbraw/zinc/31/82/85/221318285.db2.gz	IOCHCPAWAFKZJS-UHFFFAOYSA-N	-1	1	394.467	5.383	1	5	biogenic,in-vitro	GKBFMM