smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3O)[C@@H](C)c3ccccc3)cc2[nH]c1=S	ZINC001446805323	1066742409	/nfs/dbraw/zinc/74/24/09/1066742409.db2.gz	MCWQOURPCFMEDQ-KRWDZBQOSA-N	0	2	459.571	4.814	20	10		JJCDLN
COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(Br)c1O	ZINC001461952625	1067967838	/nfs/dbraw/zinc/96/78/38/1067967838.db2.gz	BOPQCPDILFLKII-KRWDZBQOSA-N	0	2	453.764	4.728	20	10		JJCDLN
CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3O)[C@H](C)c3ccccc3)cc2[nH]c1=S	ZINC001446805329	1066742237	/nfs/dbraw/zinc/74/22/37/1066742237.db2.gz	MCWQOURPCFMEDQ-QGZVFWFLSA-N	0	2	459.571	4.814	20	10		JJCDLN
CCSc1cccc(F)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	ZINC001436561408	1065363454	/nfs/dbraw/zinc/36/34/54/1065363454.db2.gz	KSIHWBKLYXZPPA-UHFFFAOYSA-N	0	2	450.447	4.874	20	10		JJCDLN
COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(Br)c1O	ZINC001461952630	1067967938	/nfs/dbraw/zinc/96/79/38/1067967938.db2.gz	BOPQCPDILFLKII-QGZVFWFLSA-N	0	2	453.764	4.728	20	10		JJCDLN