smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1[O-]	ZINC000005259954	563524494	/nfs/dbraw/zinc/52/44/94/563524494.db2.gz	ITMHNOLMYFSGMZ-UHFFFAOYSA-N	-2	3	333.453	4.381	40	0		EIABHL
CC(C)=CCc1c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c2c1[O-]	ZINC000014819388	563765202	/nfs/dbraw/zinc/76/52/02/563765202.db2.gz	VJDRSTHNWHVTNQ-UHFFFAOYSA-N	-2	3	338.359	4.086	40	0	biogenic,in-vitro	EIABHL
CCCc1nc(SC(=Cc2cccc3ccccc23)C(=O)[O-])n[n-]1	ZINC000007342259	564126606	/nfs/dbraw/zinc/12/66/06/564126606.db2.gz	CBTORVWJNJJHPK-PTNGSMBKSA-N	-2	3	339.420	4.128	40	0		EIABHL
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000006962492	564126425	/nfs/dbraw/zinc/12/64/25/564126425.db2.gz	OZWYOIMOYSYNGT-CIAFOILYSA-N	-2	3	334.375	4.249	40	0		EIABHL
CC(C)=CCc1c([O-])cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc12	ZINC000000021406	563963197	/nfs/dbraw/zinc/96/31/97/563963197.db2.gz	MEHHCBRCXIDGKZ-UHFFFAOYSA-N	-2	3	338.359	4.086	40	0	biogenic,in-vivo	EIABHL
CC(C)Oc1ccc(Cl)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704294	563990158	/nfs/dbraw/zinc/99/01/58/563990158.db2.gz	FNKFRAXIJKEWES-UHFFFAOYSA-N	-2	3	332.783	4.289	40	0		EIABHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1[O-]	ZINC000005195795	563522384	/nfs/dbraw/zinc/52/23/84/563522384.db2.gz	KIMDVVKVNNSHGZ-UHFFFAOYSA-N	-2	3	338.359	4.086	40	0	biogenic,in-vitro	EIABHL
O=C([O-])/C(=C/c1cc(Cl)ccc1[O-])Sc1nc2ccccc2o1	ZINC000007602873	564126751	/nfs/dbraw/zinc/12/67/51/564126751.db2.gz	NGQSXJKIEQESKH-ZSOIEALJSA-N	-2	3	347.779	4.405	40	0		EIABHL
O=C([O-])/C(=C/c1cc(Cl)ccc1[O-])Sc1nc2ccccc2[nH]1	ZINC000051125205	563996246	/nfs/dbraw/zinc/99/62/46/563996246.db2.gz	WNYFDMXYAWLVHM-ZSOIEALJSA-N	-2	3	346.795	4.140	40	0		EIABHL
CCCOc1ccc(Cl)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704291	563990160	/nfs/dbraw/zinc/99/01/60/563990160.db2.gz	CUFWOOSLVCGEJQ-UHFFFAOYSA-N	-2	3	332.783	4.290	40	0		EIABHL
CC1(C)C=Cc2c([O-])c(-c3coc4cc([O-])ccc4c3=O)ccc2O1	ZINC000013130928	564133926	/nfs/dbraw/zinc/13/39/26/564133926.db2.gz	COLMVFWKLOZOOP-UHFFFAOYSA-N	-2	3	336.343	4.055	40	0	endogenous,in-man	EIABHL
CC(C)=CCc1c([O-])cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc12	ZINC000014819517	563765770	/nfs/dbraw/zinc/76/57/70/563765770.db2.gz	YGCCASGFIOIXIN-UHFFFAOYSA-N	-2	3	338.359	4.086	40	0	endogenous,in-man	EIABHL
CCCc1nc(SC(=Cc2ccc(C(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000213376755	564128879	/nfs/dbraw/zinc/12/88/79/564128879.db2.gz	SPIGPUXZRXZLIS-UVTDQMKNSA-N	-2	3	331.441	4.098	40	0		EIABHL