smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000103185900	555331291	/nfs/dbraw/zinc/33/12/91/555331291.db2.gz	ITUMFVRRTKQFBF-UHFFFAOYSA-N	1	1	573.653	6.004	10	5		KKBEMO
C[N+](CCN(CC[N@@H+](CCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	ZINC000159521271	717154617	/nfs/dbraw/zinc/15/46/17/717154617.db2.gz	BQOMRNIDXZYZSU-UHFFFAOYSA-N	1	1	702.023	9.540	10	5		KKBEMO
COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N+](C)(C)CC2	ZINC000030726926	717119514	/nfs/dbraw/zinc/11/95/14/717119514.db2.gz	MRNNKFDOEWDVRD-URLMMPGGSA-O	1	1	609.743	6.701	10	5	in-vitro	KKBEMO