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)(C)c1cc(-c2ccc(C(=O)[O-])cc2)cc(C=O)c1[O-]	ZINC000060245832	570389936	/nfs/dbraw/zinc/38/99/36/570389936.db2.gz	WRHFIAQZSCZHQK-UHFFFAOYSA-N	-2	3	298.338	3.867	40	0		CHABHL
O=c1oc2cc([O-])ccc2c([O-])c1-c1ccc(Cl)cc1	ZINC000137062703	1118856237	/nfs/dbraw/zinc/85/62/37/1118856237.db2.gz	RTGSKPSHGFLOHD-UHFFFAOYSA-N	-2	3	288.686	3.525	40	0		CHABHL
O=c1[n-]c(-c2c([O-])ccc3ccccc32)nc2ccccc21	ZINC000575410920	566932370	/nfs/dbraw/zinc/93/23/70/566932370.db2.gz	MWBDTVVVJAOJBE-UHFFFAOYSA-N	-2	3	288.306	3.861	40	0		CHABHL
S=c1[n-]c2cc(Cl)cc(Cl)c2nc1[S-]	ZINC000147461577	567937599	/nfs/dbraw/zinc/93/75/99/567937599.db2.gz	ZFRQMGHNIGZXDC-UHFFFAOYSA-N	-2	3	263.174	3.514	40	0		CHABHL
S=c1[n-]c2c(Cl)cc(Cl)cc2nc1[S-]	ZINC000147461577	567937600	/nfs/dbraw/zinc/93/76/00/567937600.db2.gz	ZFRQMGHNIGZXDC-UHFFFAOYSA-N	-2	3	263.174	3.514	40	0		CHABHL
CC(C)CCSc1nc([O-])c(C2CCCCC2)c(=O)[n-]1	ZINC000013453889	567866193	/nfs/dbraw/zinc/86/61/93/567866193.db2.gz	CSEICNIADCMLLK-UHFFFAOYSA-N	-2	3	296.436	3.661	40	0		CHABHL
CCCOc1ccccc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704259	567925987	/nfs/dbraw/zinc/92/59/87/567925987.db2.gz	UKQDFFGYEHBDMV-UHFFFAOYSA-N	-2	3	298.338	3.637	40	0		CHABHL
O=c1cc(-c2ccc(Cl)cc2)oc2cc([O-])cc([O-])c12	ZINC000006536308	170211415	/nfs/dbraw/zinc/21/14/15/170211415.db2.gz	WBVTVCBOVVJLDX-UHFFFAOYSA-N	-2	3	288.686	3.525	40	0		CHABHL
CC(C)=CCc1c(O)cc([O-])c(C(=O)c2ccccc2)c1[O-]	ZINC000087493013	570253935	/nfs/dbraw/zinc/25/39/35/570253935.db2.gz	WKFZVPVRFGJMEY-UHFFFAOYSA-N	-2	3	298.338	3.543	40	0	biogenic	CHABHL
CC(C)Oc1ccccc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704275	567926126	/nfs/dbraw/zinc/92/61/26/567926126.db2.gz	VPWAJMKALXGAEY-UHFFFAOYSA-N	-2	3	298.338	3.635	40	0		CHABHL
O=C(C=C([O-])c1cccc(Cl)c1)c1ccccc1[O-]	ZINC000113704353	567926267	/nfs/dbraw/zinc/92/62/67/567926267.db2.gz	LUGYUAGYSHVYDB-UHFFFAOYSA-N	-2	3	274.703	3.501	40	0		CHABHL
CCN(CC)c1cc2sc(C(=O)[O-])c(Cl)c2c([O-])c1	ZINC000228924491	1128180669	/nfs/dbraw/zinc/18/06/69/1128180669.db2.gz	UKQHPWAZXPHRNI-UHFFFAOYSA-N	-2	3	299.779	3.805	40	0		CHABHL