smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc([O-])c2c(c1)C(=O)c1cc([O-])c(Cl)c([O-])c1C2=O	ZINC000031158571	304226074	/nfs/dbraw/zinc/22/60/74/304226074.db2.gz	JGHTWRZCNLXYPF-UHFFFAOYSA-N	-4	3	334.667	1.930	40	10	biogenic,in-vitro	EDCBHL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1[O-]	ZINC000408917089	447680331	/nfs/dbraw/zinc/68/03/31/447680331.db2.gz	MIESRNSGXYVAPM-XBXARRHUSA-N	-2	3	340.788	1.701	40	10		EDCBHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000408917103	447681071	/nfs/dbraw/zinc/68/10/71/447681071.db2.gz	MRHQUAZJAZUCPA-XYOKQWHBSA-N	-2	3	342.380	1.143	40	10		EDCBHL
COc1cc(Br)cc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1[O-]	ZINC000033486977	441595161	/nfs/dbraw/zinc/59/51/61/441595161.db2.gz	JYCPRAFSYOAQHG-GMSGAONNSA-N	-2	3	334.191	1.952	40	10		EDCBHL
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=O)[n-]c1=O	ZINC000005546921	440958562	/nfs/dbraw/zinc/95/85/62/440958562.db2.gz	IBRPJXOMSRNZKB-GHXNOFRVSA-N	-2	3	340.339	1.192	40	10		EDCBHL
O=C([O-])[C@H]1c2cc([O-])c(O)cc2C(=O)O[C@@H]1c1ccc2c(c1)OCO2	ZINC000033414012	202260886	/nfs/dbraw/zinc/26/08/86/202260886.db2.gz	YDENXMXAAFEVRV-LSDHHAIUSA-N	-2	3	344.275	1.906	40	10		EDCBHL
O=C([O-])[C@H]1c2cc(O)c([O-])cc2C(=O)O[C@@H]1c1ccc2c(c1)OCO2	ZINC000033414012	202260889	/nfs/dbraw/zinc/26/08/89/202260889.db2.gz	YDENXMXAAFEVRV-LSDHHAIUSA-N	-2	3	344.275	1.906	40	10		EDCBHL
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1[O-]	ZINC000408914937	447681045	/nfs/dbraw/zinc/68/10/45/447681045.db2.gz	RXUAWPQSIHTKJB-XVNBXDOJSA-N	-2	3	326.761	1.311	40	10		EDCBHL
CC(=O)Oc1cccc2c1C(=O)c1c([O-])cc(C(=O)[O-])cc1C2=O	ZINC000034053106	278222922	/nfs/dbraw/zinc/22/29/22/278222922.db2.gz	YBGHQNHYFJYUHT-UHFFFAOYSA-N	-2	3	326.260	1.791	40	10	in-vitro	EDCBHL
COc1cc(Br)cc([C@H]2N[C@H](C(=O)[O-])CS2)c1[O-]	ZINC000033486980	441595221	/nfs/dbraw/zinc/59/52/21/441595221.db2.gz	JYCPRAFSYOAQHG-XVKPBYJWSA-N	-2	3	334.191	1.952	40	10		EDCBHL
O=c1nc(C=Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000005331332	440948879	/nfs/dbraw/zinc/94/88/79/440948879.db2.gz	PFDIVRLXNHSQJZ-ZZXKWVIFSA-N	-2	3	344.327	1.803	40	10		EDCBHL