smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000105237161	1067028783	/nfs/dbraw/zinc/02/87/83/1067028783.db2.gz	DTKBNPJOGOBVIZ-UHFFFAOYSA-N	1	0	498.562	-1.058	20	5		JABDRO
O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]21)N1CCOCC1	ZINC001165835410	1067339080	/nfs/dbraw/zinc/33/90/80/1067339080.db2.gz	IGUUOGCDVNQRQZ-ARFHVFGLSA-N	1	0	495.562	-1.107	20	5		JABDRO
O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@@H]21)N1CCOCC1	ZINC001165835413	1067339195	/nfs/dbraw/zinc/33/91/95/1067339195.db2.gz	IGUUOGCDVNQRQZ-BZUAXINKSA-N	1	0	495.562	-1.107	20	5		JABDRO
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC001166894689	1067339428	/nfs/dbraw/zinc/33/94/28/1067339428.db2.gz	QWYKFXZFDORRFG-GJZGRUSLSA-N	1	0	491.553	-1.104	20	5		JABDRO
NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173695072	1067148265	/nfs/dbraw/zinc/14/82/65/1067148265.db2.gz	IJOCYNGFTTYTAU-INIZCTEOSA-N	1	0	496.546	-1.070	20	5		JABDRO
NC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC001173695959	1067148104	/nfs/dbraw/zinc/14/81/04/1067148104.db2.gz	SBVIBSKLUKITBI-UHFFFAOYSA-N	1	0	456.481	-1.945	20	5		JABDRO