smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Br)cc(Br)c2[O-])cc1	ZINC000048533231	554322061	/nfs/dbraw/zinc/32/20/61/554322061.db2.gz	DRFSRUYUCYMCAA-UHFFFAOYSA-N	-1	1	504.266	6.229	10	10		KKCEMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1Cl	ZINC000100324124	554308194	/nfs/dbraw/zinc/30/81/94/554308194.db2.gz	PIYDUKIFKNXSPQ-OVCLIPMQSA-N	-1	1	517.797	5.021	10	10		KKCEMM
CC(C)=CCc1c2c(c([O-])c3c(=O)c4c(oc13)-c1cc(O)c(O)cc1O[C@@H]4C=C(C)C)C=CC(C)(C)O2	ZINC000013130933	553451417	/nfs/dbraw/zinc/45/14/17/553451417.db2.gz	ZZPIXEJZTXAVCX-JOCHJYFZSA-N	-1	1	502.563	6.669	10	10	endogenous,in-man	KKCEMM
CCCCCCOc1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2OCC)cc1	ZINC000020582541	553676285	/nfs/dbraw/zinc/67/62/85/553676285.db2.gz	HQFZGHNKVHHGDB-HKOYGPOVSA-N	-1	1	501.670	5.991	10	10		KKCEMM
CCCCCCOc1ccc(OCCOc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1	ZINC000100173779	554239835	/nfs/dbraw/zinc/23/98/35/554239835.db2.gz	ZSORFQWQGQLHPH-CJLVFECKSA-N	-1	1	566.539	6.363	10	10		KKCEMM
CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OCC)cc1	ZINC000100173811	554239840	/nfs/dbraw/zinc/23/98/40/554239840.db2.gz	MTHVVIVMPSQPEP-HAVVHWLPSA-N	-1	1	536.115	6.644	10	10		KKCEMM
CC(C)=CCc1c2c(c([O-])c3c(=O)c4c(oc13)-c1cc(O)c(O)cc1O[C@H]4C=C(C)C)C=CC(C)(C)O2	ZINC000013130935	553451384	/nfs/dbraw/zinc/45/13/84/553451384.db2.gz	ZZPIXEJZTXAVCX-QFIPXVFZSA-N	-1	1	502.563	6.669	10	10	endogenous,in-man	KKCEMM
O=C(Nc1ccc(NCc2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1)c1ccco1	ZINC000003013712	552260507	/nfs/dbraw/zinc/26/05/07/552260507.db2.gz	SDVXPQHJJABIHN-UHFFFAOYSA-N	-1	1	511.803	6.856	10	10		KKCEMM
CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1	ZINC000020582520	553676366	/nfs/dbraw/zinc/67/63/66/553676366.db2.gz	XDDGJROYLGBBAX-CJLVFECKSA-N	-1	1	522.088	6.254	10	10		KKCEMM