smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000514292750	1066410194	/nfs/dbraw/zinc/41/01/94/1066410194.db2.gz	MCUFAWLKIRBQKP-HSZRJFAPSA-N	0	1	570.693	4.690	20	5		KJBDMN
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000514292751	1066410760	/nfs/dbraw/zinc/41/07/60/1066410760.db2.gz	MCUFAWLKIRBQKP-QHCPKHFHSA-N	0	1	570.693	4.690	20	5		KJBDMN
COc1ccc(CN2CCCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1	ZINC000514403635	1066453581	/nfs/dbraw/zinc/45/35/81/1066453581.db2.gz	WJGKPVQBJVUIPG-UHFFFAOYSA-N	0	1	520.552	4.573	20	5		KJBDMN