smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc2F)CC1	ZINC001318418784	1067040036	/nfs/dbraw/zinc/04/00/36/1067040036.db2.gz	KPCSJLXONTWICH-QFIPXVFZSA-N	2	2	478.534	4.050	20	10		JICDLP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)ccc(C4OCCO4)c3Cl)cc2F)CC1	ZINC001200151893	1067769630	/nfs/dbraw/zinc/76/96/30/1067769630.db2.gz	MMFVPNATHLNSHJ-UHFFFAOYSA-N	2	2	451.945	4.095	20	10		JICDLP
C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)cc2F)CC1	ZINC001338754864	1066570575	/nfs/dbraw/zinc/57/05/75/1066570575.db2.gz	BVCXAGNQZXWZHO-UHFFFAOYSA-N	2	2	458.322	4.231	20	10		JICDLP
CC(C)(C)N1CC[NH+](Cc2c(O)ccc3ccc(O)c(CN4CC[NH+](C(C)(C)C)CC4)c32)CC1	ZINC001317945982	1066803635	/nfs/dbraw/zinc/80/36/35/1066803635.db2.gz	IYMHAWJYKYSPSC-UHFFFAOYSA-N	2	2	468.686	4.083	20	10		JICDLP
C[NH+]1CCN(c2ccc(C[NH2+][C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc2F)CC1	ZINC001318418782	1067040670	/nfs/dbraw/zinc/04/06/70/1067040670.db2.gz	KPCSJLXONTWICH-JOCHJYFZSA-N	2	2	478.534	4.050	20	10		JICDLP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC4(CC[NH2+]CC4)c4c3cccc4-c3cccnc3)c2)CC1	ZINC001164908780	721568540	/nfs/dbraw/zinc/56/85/40/721568540.db2.gz	SCMQLBBFKHLMFG-UHFFFAOYSA-N	3	2	455.606	4.390	20	10		JICDLP