smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c3nccc4c5cc(OCC(=O)NCC[NH+]6CCOCC6)ccc5n(c43)c(=O)c2c1OC	ZINC000008792112	553147517	/nfs/dbraw/zinc/14/75/17/553147517.db2.gz	BLBFTFVDFZRYJO-UHFFFAOYSA-N	1	2	516.554	2.436	40	5	biogenic	KEBBLO
O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000026781502	553821198	/nfs/dbraw/zinc/82/11/98/553821198.db2.gz	XWTZRHAEFQVXFF-OAQYLSRUSA-N	1	2	504.543	2.402	40	5		KEBBLO
O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000026781504	553821297	/nfs/dbraw/zinc/82/12/97/553821297.db2.gz	XWTZRHAEFQVXFF-NRFANRHFSA-N	1	2	504.543	2.402	40	5		KEBBLO
O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000028615110	553842763	/nfs/dbraw/zinc/84/27/63/553842763.db2.gz	WCXHPJRNOSBUDI-HXUWFJFHSA-N	1	2	504.543	2.402	40	5		KEBBLO
O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000028615111	553842781	/nfs/dbraw/zinc/84/27/81/553842781.db2.gz	WCXHPJRNOSBUDI-FQEVSTJZSA-N	1	2	504.543	2.402	40	5		KEBBLO
COc1ccc(Cl)cc1N(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000408619083	572280398	/nfs/dbraw/zinc/28/03/98/572280398.db2.gz	LURIIFQYSKTSTC-UHFFFAOYSA-N	1	2	526.999	2.209	40	5		KEBBLO