smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1O	ZINC000100320923	554305098	/nfs/dbraw/zinc/30/50/98/554305098.db2.gz	FKWZGSDACBUUGP-XGICHPGQSA-N	0	1	512.179	3.757	10	10		KHCEMN
CCOC(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104069149	571372180	/nfs/dbraw/zinc/37/21/80/571372180.db2.gz	GRUPZHWJMCKBLF-QFIPXVFZSA-N	0	1	537.528	3.582	10	10		KHCEMN
CCOC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104069149	571372179	/nfs/dbraw/zinc/37/21/79/571372179.db2.gz	GRUPZHWJMCKBLF-QFIPXVFZSA-N	0	1	537.528	3.582	10	10		KHCEMN
CCOC(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104069155	571372211	/nfs/dbraw/zinc/37/22/11/571372211.db2.gz	GRUPZHWJMCKBLF-JOCHJYFZSA-N	0	1	537.528	3.582	10	10		KHCEMN
CCOC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104069155	571372210	/nfs/dbraw/zinc/37/22/10/571372210.db2.gz	GRUPZHWJMCKBLF-JOCHJYFZSA-N	0	1	537.528	3.582	10	10		KHCEMN
CCOC(=O)[C@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104723922	571385647	/nfs/dbraw/zinc/38/56/47/571385647.db2.gz	PXTLHPSZPJLIBQ-FQEVSTJZSA-N	0	1	577.471	3.984	10	10		KHCEMN
CCOC(=O)C(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104723922	571385646	/nfs/dbraw/zinc/38/56/46/571385646.db2.gz	PXTLHPSZPJLIBQ-FQEVSTJZSA-N	0	1	577.471	3.984	10	10		KHCEMN
CCOC(=O)[C@@H](C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104723925	571385673	/nfs/dbraw/zinc/38/56/73/571385673.db2.gz	PXTLHPSZPJLIBQ-HXUWFJFHSA-N	0	1	577.471	3.984	10	10		KHCEMN
CCOC(=O)C(C(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O	ZINC000104723925	571385672	/nfs/dbraw/zinc/38/56/72/571385672.db2.gz	PXTLHPSZPJLIBQ-HXUWFJFHSA-N	0	1	577.471	3.984	10	10		KHCEMN