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	719816433	/nfs/dbraw/zinc/81/64/33/719816433.db2.gz	QGFFNAYHWSFEIK-UHFFFAOYSA-N	1	1	449.580	5.057	20	5		IKBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@H]2C	ZINC001164863239	720968127	/nfs/dbraw/zinc/96/81/27/720968127.db2.gz	ZAZDZTOSFZVLFE-INIZCTEOSA-N	1	1	434.975	5.054	20	5		IKBDMO
Clc1ccc2ccc3ccc(N4CCC5(CC[N@@H+](Cc6cccnc6)C5)CC4)nc3c2n1	ZINC001164951636	722018274	/nfs/dbraw/zinc/01/82/74/722018274.db2.gz	BNBRJDOBEIGBLZ-UHFFFAOYSA-N	1	1	443.982	5.324	20	5		IKBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3ccc4ccc(Cl)nc4c3n1)[C@@H]2C	ZINC001164863241	720966498	/nfs/dbraw/zinc/96/64/98/720966498.db2.gz	ZAZDZTOSFZVLFE-MRXNPFEDSA-N	1	1	434.975	5.054	20	5		IKBDMO
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccc5cccnc5c4n2)CC3)cs1	ZINC001164693476	719806170	/nfs/dbraw/zinc/80/61/70/719806170.db2.gz	TYKBSIGUGVOJER-UHFFFAOYSA-N	1	1	429.593	5.183	20	5		IKBDMO