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([C@H]1CCCO1)N1CC[NH+](CCn2c3ccccc3c3nc4ccccc4nc32)CC1	ZINC000027666385	557270900	/nfs/dbraw/zinc/27/09/00/557270900.db2.gz	JYQQHGTVVDKFCR-JOCHJYFZSA-N	1	1	429.524	3.061	40	5		IGBBMO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000017098666	569173760	/nfs/dbraw/zinc/17/37/60/569173760.db2.gz	ZVEITFHPMWHZPK-UHFFFAOYSA-N	1	1	433.921	3.127	40	5		IGBBMO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1	ZINC000017098667	569173818	/nfs/dbraw/zinc/17/38/18/569173818.db2.gz	FVRUANXVQAJFAX-UHFFFAOYSA-N	1	1	433.921	3.127	40	5		IGBBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[C@H](Nc2ccccn2)n2nnc3ccccc32)CC1	ZINC000059488697	569461587	/nfs/dbraw/zinc/46/15/87/569461587.db2.gz	XFAKCGDCPMYTFC-HSZRJFAPSA-N	1	1	444.499	3.145	40	5		IGBBMO
O=C([C@@H]1CCCO1)N1CC[NH+](CCn2c3ccccc3c3nc4ccccc4nc32)CC1	ZINC000027666383	557270848	/nfs/dbraw/zinc/27/08/48/557270848.db2.gz	JYQQHGTVVDKFCR-QFIPXVFZSA-N	1	1	429.524	3.061	40	5		IGBBMO
Cc1c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000008831726	569290904	/nfs/dbraw/zinc/29/09/04/569290904.db2.gz	VROXSOKBEQHCPP-UHFFFAOYSA-N	1	1	447.948	3.435	40	5		IGBBMO
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000008831725	569290892	/nfs/dbraw/zinc/29/08/92/569290892.db2.gz	PHLZLDRESZQTKW-UHFFFAOYSA-N	1	1	447.948	3.435	40	5		IGBBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[C@@H](Nc2ccccn2)n2nnc3ccccc32)CC1	ZINC000059488696	569461574	/nfs/dbraw/zinc/46/15/74/569461574.db2.gz	XFAKCGDCPMYTFC-QHCPKHFHSA-N	1	1	444.499	3.145	40	5		IGBBMO
O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1	ZINC000004908282	556825915	/nfs/dbraw/zinc/82/59/15/556825915.db2.gz	JRTIFWIDEILTKD-YQQQUEKLSA-N	1	1	429.521	3.161	40	5		IGBBMO
O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1	ZINC000004908282	556825917	/nfs/dbraw/zinc/82/59/17/556825917.db2.gz	JRTIFWIDEILTKD-YQQQUEKLSA-N	1	1	429.521	3.161	40	5		IGBBMO