smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1CCCC[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000005030648	204186192	/nfs/dbraw/zinc/18/61/92/204186192.db2.gz	CAVIJGGXNIURPI-VHSXEESVSA-N	-1	2	370.357	3.373	40	10	in-vivo	FGCBLM
O=C([O-])[C@H]1CCCC[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000003954333	493861382	/nfs/dbraw/zinc/86/13/82/493861382.db2.gz	CAVIJGGXNIURPI-UWVGGRQHSA-N	-1	2	370.357	3.373	40	10	in-vivo	FGCBLM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000100148816	209210629	/nfs/dbraw/zinc/21/06/29/209210629.db2.gz	ZZDQYKQJOSBZLE-YBEGLDIGSA-N	-1	2	351.362	3.117	40	10		FGCBLM
O=C([O-])[C@H]1CCCC[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000005030644	493908800	/nfs/dbraw/zinc/90/88/00/493908800.db2.gz	CAVIJGGXNIURPI-ZJUUUORDSA-N	-1	2	370.357	3.373	40	10	in-vivo	FGCBLM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000016312157	220182771	/nfs/dbraw/zinc/18/27/71/220182771.db2.gz	XAZSXSFMEUZDFK-YVLHZVERSA-N	-1	2	365.389	3.426	40	10		FGCBLM
O=C([O-])[C@@H]1CCCC[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc21	ZINC000005030647	207074097	/nfs/dbraw/zinc/07/40/97/207074097.db2.gz	CAVIJGGXNIURPI-NXEZZACHSA-N	-1	2	370.357	3.373	40	10	in-vivo	FGCBLM
O=C([O-])c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135082	493902184	/nfs/dbraw/zinc/90/21/84/493902184.db2.gz	FLETWBTWPVSQOI-NTEUORMPSA-N	-1	2	354.293	3.031	40	10		FGCBLM
CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(O)c(Cl)c2)c1F	ZINC000252498538	497307689	/nfs/dbraw/zinc/30/76/89/497307689.db2.gz	REGVKDJSOVDMNH-UHFFFAOYSA-N	-1	2	368.217	3.164	40	10		FGCBLM