smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)CC2)cn1	ZINC000217972208	569455498	/nfs/dbraw/zinc/45/54/98/569455498.db2.gz	GNEFMNOCLVEMFO-UHFFFAOYSA-N	0	0	441.491	-0.060	50	70		IBIARN
CC(=O)Nc1ncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)s1	ZINC000217972652	568901835	/nfs/dbraw/zinc/90/18/35/568901835.db2.gz	MDAIXEWPLZSZQS-UHFFFAOYSA-N	0	0	448.552	-0.080	50	70		IBIARN
CS(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1	ZINC000218395793	557197240	/nfs/dbraw/zinc/19/72/40/557197240.db2.gz	COLDRDJGJNIXKZ-HNNXBMFYSA-N	0	0	426.470	-0.218	50	70		IBIARN