smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc([O-])c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000001300536	564001960	/nfs/dbraw/zinc/00/19/60/564001960.db2.gz	XNLLUKGSUWZNBI-FCEWJHQRSA-N	-1	3	339.822	5.075	40	10		EKCBHM
CC(C)(C)c1cc(Br)c([O-])c(CNc2ccccc2)c1	ZINC000001680954	563402775	/nfs/dbraw/zinc/40/27/75/563402775.db2.gz	CEMWOIWYHCKGAD-UHFFFAOYSA-N	-1	3	334.257	5.064	40	10		EKCBHM
Cc1ccc([C@H](Nc2nccs2)c2ccc3ccccc3c2[O-])cc1	ZINC000003009383	209952377	/nfs/dbraw/zinc/95/23/77/209952377.db2.gz	AQCFBHPMAKNYHW-IBGZPJMESA-N	-1	3	346.455	5.512	40	10		EKCBHM
Cc1ccc([C@@H](Nc2nccs2)c2ccc3ccccc3c2[O-])cc1	ZINC000003009386	201555052	/nfs/dbraw/zinc/55/50/52/201555052.db2.gz	AQCFBHPMAKNYHW-LJQANCHMSA-N	-1	3	346.455	5.512	40	10		EKCBHM
CC(=O)c1ccc([O-])c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000004332023	210173231	/nfs/dbraw/zinc/17/32/31/210173231.db2.gz	XNLLUKGSUWZNBI-BXWFABGCSA-N	-1	3	339.822	5.075	40	10		EKCBHM
C[NH+](Cc1c([O-])ccc2ccccc21)Cc1c([O-])ccc2ccccc21	ZINC000004706015	563508590	/nfs/dbraw/zinc/50/85/90/563508590.db2.gz	GVMWKDGCAWXZTK-UHFFFAOYSA-N	-1	3	343.426	5.036	40	10		EKCBHM
CC(=O)c1ccc([O-])c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000012380083	563659151	/nfs/dbraw/zinc/65/91/51/563659151.db2.gz	XNLLUKGSUWZNBI-TXPKVOOTSA-N	-1	3	339.822	5.075	40	10		EKCBHM
CCN(Cc1c([O-])ccc2ccccc21)c1cccc2ccccc21	ZINC000039379259	563900265	/nfs/dbraw/zinc/90/02/65/563900265.db2.gz	YKHZHRAURIBMHO-UHFFFAOYSA-N	-1	3	327.427	5.725	40	10		EKCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(C)cc(C)c1	ZINC000103918714	564013745	/nfs/dbraw/zinc/01/37/45/564013745.db2.gz	CXWXAOOHGKZLCS-FXBPSFAMSA-N	-1	3	347.462	5.192	40	10		EKCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(CC)cc1	ZINC000103918824	564013766	/nfs/dbraw/zinc/01/37/66/564013766.db2.gz	HVJOVUBZYONPHL-PGMHBOJBSA-N	-1	3	347.462	5.138	40	10		EKCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(C)cc1C	ZINC000112113927	564018220	/nfs/dbraw/zinc/01/82/20/564018220.db2.gz	NSKJMFIUMYPESJ-FXBPSFAMSA-N	-1	3	347.462	5.192	40	10		EKCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1CC	ZINC000112113933	564018198	/nfs/dbraw/zinc/01/81/98/564018198.db2.gz	XWWSHVVAGVRIOR-PGMHBOJBSA-N	-1	3	347.462	5.138	40	10		EKCBHM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(C)c(C)c1	ZINC000112113936	564018239	/nfs/dbraw/zinc/01/82/39/564018239.db2.gz	GCUWLHGHVLOWHG-FXBPSFAMSA-N	-1	3	347.462	5.192	40	10		EKCBHM
Cc1ccc(C2=C/C(=C\c3c([O-])ccc4ccccc43)C(=O)O2)cc1C	ZINC000409051737	564009223	/nfs/dbraw/zinc/00/92/23/564009223.db2.gz	FZFCRYYPGOZUJA-LDADJPATSA-N	-1	3	342.394	5.144	40	10		EKCBHM
Cc1ccc(C2=C/C(=C\c3c([O-])ccc4ccccc43)C(=O)O2)c(C)c1	ZINC000409054113	563937410	/nfs/dbraw/zinc/93/74/10/563937410.db2.gz	RLDKXXPLGUGVJI-SFQUDFHCSA-N	-1	3	342.394	5.144	40	10		EKCBHM
Cc1ccc(C)c(C2=C/C(=C\c3c([O-])ccc4ccccc43)C(=O)O2)c1	ZINC000409055527	564009284	/nfs/dbraw/zinc/00/92/84/564009284.db2.gz	ZDTIWSNUUYELGL-SFQUDFHCSA-N	-1	3	342.394	5.144	40	10		EKCBHM