smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccn2c1nc1c(cc(C(=O)NCC[NH+]3CCOCC3)c(=N)n1CCC[NH+]1CCOCC1)c2=O	ZINC000015894592	553540105	/nfs/dbraw/zinc/54/01/05/553540105.db2.gz	OGSLNTFMYHJYMI-UHFFFAOYSA-N	2	2	509.611	0.221	50	5		KCBALP
Cc1ccc2nc3c(cc(C(=O)NCC[NH+]4CCOCC4)c(=N)n3CCC[NH+]3CCOCC3)c(=O)n2c1	ZINC000015952804	553545727	/nfs/dbraw/zinc/54/57/27/553545727.db2.gz	MDSHDXOSLHVHKR-UHFFFAOYSA-N	2	2	509.611	0.221	50	5		KCBALP
CC(C)NC(=O)C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000035894652	554091727	/nfs/dbraw/zinc/09/17/27/554091727.db2.gz	UEQPZERYXCGKJV-GMAHTHKFSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000035894652	554091725	/nfs/dbraw/zinc/09/17/25/554091725.db2.gz	UEQPZERYXCGKJV-GMAHTHKFSA-N	2	2	502.616	0.621	50	5		KCBALP
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457222	553754580	/nfs/dbraw/zinc/75/45/80/553754580.db2.gz	OPIBDBOQBBDTIV-LADGPHEKSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457222	553754579	/nfs/dbraw/zinc/75/45/79/553754579.db2.gz	OPIBDBOQBBDTIV-LADGPHEKSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457223	553754576	/nfs/dbraw/zinc/75/45/76/553754576.db2.gz	OPIBDBOQBBDTIV-ISKFKSNPSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1)N1CCCC1	ZINC000096457223	553754575	/nfs/dbraw/zinc/75/45/75/553754575.db2.gz	OPIBDBOQBBDTIV-ISKFKSNPSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457224	553754540	/nfs/dbraw/zinc/75/45/40/553754540.db2.gz	OPIBDBOQBBDTIV-UPVQGACJSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457224	553754539	/nfs/dbraw/zinc/75/45/39/553754539.db2.gz	OPIBDBOQBBDTIV-UPVQGACJSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457225	553754515	/nfs/dbraw/zinc/75/45/15/553754515.db2.gz	OPIBDBOQBBDTIV-VWNXMTODSA-N	2	2	514.627	0.719	50	5		KCBALP
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1)N1CCCC1	ZINC000096457225	553754511	/nfs/dbraw/zinc/75/45/11/553754511.db2.gz	OPIBDBOQBBDTIV-VWNXMTODSA-N	2	2	514.627	0.719	50	5		KCBALP
CC(C)NC(=O)C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000104920203	571387799	/nfs/dbraw/zinc/38/77/99/571387799.db2.gz	UEQPZERYXCGKJV-GGAORHGYSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@@H]2C1	ZINC000104920203	571387798	/nfs/dbraw/zinc/38/77/98/571387798.db2.gz	UEQPZERYXCGKJV-GGAORHGYSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376522	572282375	/nfs/dbraw/zinc/28/23/75/572282375.db2.gz	UEQPZERYXCGKJV-FYYLOGMGSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376522	572282373	/nfs/dbraw/zinc/28/23/73/572282373.db2.gz	UEQPZERYXCGKJV-FYYLOGMGSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376523	572282320	/nfs/dbraw/zinc/28/23/20/572282320.db2.gz	UEQPZERYXCGKJV-JTHBVZDNSA-N	2	2	502.616	0.621	50	5		KCBALP
CC(C)NC(=O)C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCC[NH+]3CCOCC3)[C@H]2C1	ZINC000253376523	572282319	/nfs/dbraw/zinc/28/23/19/572282319.db2.gz	UEQPZERYXCGKJV-JTHBVZDNSA-N	2	2	502.616	0.621	50	5		KCBALP