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)[NH+]1CCCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000514292750	1066410186	/nfs/dbraw/zinc/41/01/86/1066410186.db2.gz	MCUFAWLKIRBQKP-HSZRJFAPSA-N	1	0	570.693	4.690	20	5		KJBDRO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	ZINC000514292751	1066410752	/nfs/dbraw/zinc/41/07/52/1066410752.db2.gz	MCUFAWLKIRBQKP-QHCPKHFHSA-N	1	0	570.693	4.690	20	5		KJBDRO
CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C	ZINC000514374408	1066428870	/nfs/dbraw/zinc/42/88/70/1066428870.db2.gz	BNHQMWPDERWVNW-UHFFFAOYSA-N	1	0	508.604	4.766	20	5		KJBDRO
COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)cc1	ZINC000514403635	1066453568	/nfs/dbraw/zinc/45/35/68/1066453568.db2.gz	WJGKPVQBJVUIPG-UHFFFAOYSA-N	1	0	520.552	4.573	20	5		KJBDRO
COc1ccc(NC(=S)C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccc(N(C)C)cc2)cc1Cl	ZINC000726961843	1067164496	/nfs/dbraw/zinc/16/44/96/1067164496.db2.gz	LQKQKBODWVBREJ-UHFFFAOYSA-O	1	0	500.000	4.722	20	5		KJBDRO