smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(-c4ccccc4)n2)CC3)cs1	ZINC001164702001	719816432	/nfs/dbraw/zinc/81/64/32/719816432.db2.gz	QGFFNAYHWSFEIK-UHFFFAOYSA-N	1	0	449.580	5.057	20	5		IKBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@H]2C	ZINC001164863239	720968113	/nfs/dbraw/zinc/96/81/13/720968113.db2.gz	ZAZDZTOSFZVLFE-INIZCTEOSA-N	1	0	434.975	5.054	20	5		IKBDRO
Clc1ccc2ccc3ccc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)nc3c2n1	ZINC001164951636	722018272	/nfs/dbraw/zinc/01/82/72/722018272.db2.gz	BNBRJDOBEIGBLZ-UHFFFAOYSA-N	1	0	443.982	5.324	20	5		IKBDRO
CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)CC1	ZINC001165054039	722007609	/nfs/dbraw/zinc/00/76/09/722007609.db2.gz	GSAFTTJNHTYFTD-UHFFFAOYSA-N	1	0	438.906	5.166	20	5		IKBDRO
COc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc(OCC[NH+]3CCCC3)cc2)cc1	ZINC000004213989	562942695	/nfs/dbraw/zinc/94/26/95/562942695.db2.gz	MFKMXUFMHOCZHP-RQZHXJHFSA-N	1	0	444.531	5.363	20	5	in-man	IKBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@@H]2C	ZINC001164863241	720966489	/nfs/dbraw/zinc/96/64/89/720966489.db2.gz	ZAZDZTOSFZVLFE-MRXNPFEDSA-N	1	0	434.975	5.054	20	5		IKBDRO
CC[NH+](CC)C1CCN(c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])CC1	ZINC001165054637	722007775	/nfs/dbraw/zinc/00/77/75/722007775.db2.gz	VASUSOLBLSAALJ-UHFFFAOYSA-N	1	0	434.540	5.033	20	5		IKBDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ccc5cccnc5c4n2)CC3)cs1	ZINC001164693476	719806165	/nfs/dbraw/zinc/80/61/65/719806165.db2.gz	TYKBSIGUGVOJER-UHFFFAOYSA-N	1	0	429.593	5.183	20	5		IKBDRO