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[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(c2cccc[nH+]2)CC1	ZINC000218315925	136203747	/nfs/dbraw/zinc/20/37/47/136203747.db2.gz	MCCGMPQHIZAUSR-HNNXBMFYSA-N	1	2	383.408	0.834	50	70		GCIALO
Cc1nc(N2CCn3nc([C@@H](O)CS(C)(=O)=O)cc3C2)c2c([nH+]1)CCC2	ZINC000218775649	136203789	/nfs/dbraw/zinc/20/37/89/136203789.db2.gz	PUFUNMJPEMGGLV-INIZCTEOSA-N	1	2	377.470	0.568	50	70		GCIALO
CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1	ZINC000218311283	570330758	/nfs/dbraw/zinc/33/07/58/570330758.db2.gz	QIVMCNMREYVNJG-QZTJIDSGSA-N	1	2	375.469	0.423	50	70		GCIALO
CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)C[N@H+]1CCc2ccccc2C1	ZINC000218311283	570330760	/nfs/dbraw/zinc/33/07/60/570330760.db2.gz	QIVMCNMREYVNJG-QZTJIDSGSA-N	1	2	375.469	0.423	50	70		GCIALO
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCn2nc([C@@H](O)CO)cc2C1	ZINC000217863357	570322008	/nfs/dbraw/zinc/32/20/08/570322008.db2.gz	IJNZETZUUJDRNL-AWEZNQCLSA-N	1	2	377.470	0.617	50	70		GCIALO
CNS(=O)(=O)c1ccc(C[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)cc1	ZINC000217211224	570313845	/nfs/dbraw/zinc/31/38/45/570313845.db2.gz	IVVMMDJNFWDEAI-QGZVFWFLSA-N	1	2	380.470	0.223	50	70		GCIALO
CNS(=O)(=O)c1ccc(C[N@H+]2CCCn3nc([C@H](O)CO)cc3C2)cc1	ZINC000217211224	570313847	/nfs/dbraw/zinc/31/38/47/570313847.db2.gz	IVVMMDJNFWDEAI-QGZVFWFLSA-N	1	2	380.470	0.223	50	70		GCIALO
O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCn2nc([C@H](O)CO)cc2C1	ZINC000217863455	570322079	/nfs/dbraw/zinc/32/20/79/570322079.db2.gz	IJNZETZUUJDRNL-CQSZACIVSA-N	1	2	377.470	0.617	50	70		GCIALO
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCC[NH+]1CCOCC1	ZINC000218231253	570328324	/nfs/dbraw/zinc/32/83/24/570328324.db2.gz	PDUWILPWQMHZJW-UHFFFAOYSA-N	1	2	380.470	0.461	50	70		GCIALO
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000216994279	570310653	/nfs/dbraw/zinc/31/06/53/570310653.db2.gz	CHAFZFVVKMRLET-INIZCTEOSA-N	1	2	382.424	0.947	50	70		GCIALO
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nc3ccccc3o2)CC1	ZINC000216994279	570310654	/nfs/dbraw/zinc/31/06/54/570310654.db2.gz	CHAFZFVVKMRLET-INIZCTEOSA-N	1	2	382.424	0.947	50	70		GCIALO
Cc1nc(N2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)c2c([nH+]1)CCC2	ZINC000218775723	136203813	/nfs/dbraw/zinc/20/38/13/136203813.db2.gz	PUFUNMJPEMGGLV-MRXNPFEDSA-N	1	2	377.470	0.568	50	70		GCIALO
CNS(=O)(=O)c1ccc(C[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC000217211216	570314018	/nfs/dbraw/zinc/31/40/18/570314018.db2.gz	IVVMMDJNFWDEAI-KRWDZBQOSA-N	1	2	380.470	0.223	50	70		GCIALO
CNS(=O)(=O)c1ccc(C[N@H+]2CCCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC000217211216	570314019	/nfs/dbraw/zinc/31/40/19/570314019.db2.gz	IVVMMDJNFWDEAI-KRWDZBQOSA-N	1	2	380.470	0.223	50	70		GCIALO