smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-]	ZINC000097002572	558987636	/nfs/dbraw/zinc/98/76/36/558987636.db2.gz	HKFSPTZROSWMKR-IBGZPJMESA-N	2	2	411.546	4.708	50	5		HJBALP
O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2[nH]cc(-c3ccc(F)c(F)c3)[nH+]2)CC1	ZINC000072308284	558770203	/nfs/dbraw/zinc/77/02/03/558770203.db2.gz	UCPWQSUMUREMDJ-UHFFFAOYSA-N	2	2	416.403	4.782	50	5		HJBALP
CC(C)c1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-]	ZINC000097002576	558987605	/nfs/dbraw/zinc/98/76/05/558987605.db2.gz	HKFSPTZROSWMKR-LJQANCHMSA-N	2	2	411.546	4.708	50	5		HJBALP