smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000028539441	212624134	/nfs/dbraw/zinc/62/41/34/212624134.db2.gz	QYCOHMYDSOZCQD-GWEOMKHGSA-N	-2	0	334.456	4.661	1	30	biogenic,in-vitro	EJEFRL
O=C(C=C([O-])c1ccc(C(F)(F)F)cc1)c1ccc2occc2c1[O-]	ZINC000101020701	219114570	/nfs/dbraw/zinc/11/45/70/219114570.db2.gz	OZOXDVXATMVYCL-DHDCSXOGSA-N	-2	0	348.276	4.939	1	30		EJEFRL
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@@H]1CC/C(C)=C\C(=O)[O-]	ZINC000100781141	219106445	/nfs/dbraw/zinc/10/64/45/219106445.db2.gz	QYCOHMYDSOZCQD-CYMPCSESSA-N	-2	0	334.456	4.661	1	30	endogenous,in-man	EJEFRL
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC/C(C)=C\C(=O)[O-]	ZINC000100781143	201804922	/nfs/dbraw/zinc/80/49/22/201804922.db2.gz	QYCOHMYDSOZCQD-VDBJKDQKSA-N	-2	0	334.456	4.661	1	30	endogenous,in-man	EJEFRL