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)=CCC[C@@]1(C)C=Cc2c(cc3oc4cc([O-])ccc4c([O-])c-3c2=O)O1	ZINC000084758209	208098411	/nfs/dbraw/zinc/09/84/11/208098411.db2.gz	XMXKBMAJOOEHTP-QHCPKHFHSA-N	-2	0	378.424	5.268	1	5		GKBFRL
CC(/C=C/C(=O)[O-])=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C(=O)[O-]	ZINC000195430613	211732485	/nfs/dbraw/zinc/73/24/85/211732485.db2.gz	ZVKOASAVGLETCT-LSGQTGKLSA-N	-2	0	380.484	5.722	1	5		GKBFRL
CC(C)=CCC[C@@]1(C)C=Cc2c(cc(=O)c3c([O-])c4ccc([O-])cc4oc2-3)O1	ZINC000084758211	222321688	/nfs/dbraw/zinc/32/16/88/222321688.db2.gz	QBYSGRXGDUXAQT-QHCPKHFHSA-N	-2	0	378.424	5.268	1	5		GKBFRL
CC(C)=CCc1c(O)c2c(O)c3ccc([O-])cc3oc-2c(CC=C(C)C)c1=O	ZINC000015252157	221334381	/nfs/dbraw/zinc/33/43/81/221334381.db2.gz	HHHZYUKPVCUMDR-UHFFFAOYSA-N	-2	0	380.440	5.080	1	5	endogenous,in-man	GKBFRL
CC(C)=CCC[C@]1(C)C=Cc2c(cc3oc4cc([O-])ccc4c([O-])c-3c2=O)O1	ZINC000084758208	211175855	/nfs/dbraw/zinc/17/58/55/211175855.db2.gz	XMXKBMAJOOEHTP-HSZRJFAPSA-N	-2	0	378.424	5.268	1	5		GKBFRL
CC(=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C(=O)[O-])/C=C\C=C(C)/C=C/C(=O)[O-]	ZINC000033833076	291144094	/nfs/dbraw/zinc/14/40/94/291144094.db2.gz	ZVKOASAVGLETCT-YSILFSKOSA-N	-2	0	380.484	5.722	1	5	biogenic,in-vitro	GKBFRL
CC(C)=CCc1c(=O)cc2oc3c(ccc([O-])c3CC=C(C)C)c(O)c-2c1[O-]	ZINC000084671274	222319814	/nfs/dbraw/zinc/31/98/14/222319814.db2.gz	RVOQPECMPLUENG-UHFFFAOYSA-N	-2	0	380.440	5.080	1	5		GKBFRL