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)C(=Cn1c([O-])cc(=O)[n-]c1=S)C(=O)Nc1ccccc1C	ZINC000018118025	441247762	/nfs/dbraw/zinc/24/77/62/441247762.db2.gz	YRUVFDWHPGWNMS-FLIBITNWSA-N	-2	3	345.380	1.040	40	30		EDEBHL
O=c1[n-]c(=S)[nH]c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000016385824	441222741	/nfs/dbraw/zinc/22/27/41/441222741.db2.gz	PZWIWKNBXIBASF-UHFFFAOYSA-N	-2	3	327.709	1.387	40	30		EDEBHL
CCOc1cc(C=NNc2n[n-]c(=S)n2N)c(Cl)cc1[O-]	ZINC000006464382	440993036	/nfs/dbraw/zinc/99/30/36/440993036.db2.gz	FYLWXBPXBMHQOM-LHHJGKSTSA-N	-2	3	328.785	1.484	40	30		EDEBHL