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)Cc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(C[NH+](C)C)c1O	ZINC000005843074	557677279	/nfs/dbraw/zinc/67/72/79/557677279.db2.gz	KHLXXSIJHPFZPM-YHYXMXQVSA-N	2	2	417.347	4.174	40	30		HIEBLP
CCN(CC)c1ccc(/C=[NH+]/NC(=S)N/[NH+]=C\c2ccc(N(CC)CC)cc2)cc1	ZINC000033731160	520881807	/nfs/dbraw/zinc/88/18/07/520881807.db2.gz	VUDOPSLDLNMJFU-KGOJTIBSSA-N	2	2	424.618	4.211	40	30		HIEBLP
CCN(CC)c1ccc(/C=[NH+]/NC(=S)N/[NH+]=C/c2ccc(N(CC)CC)cc2)cc1	ZINC000001682564	557280318	/nfs/dbraw/zinc/28/03/18/557280318.db2.gz	VUDOPSLDLNMJFU-WZGDJCGDSA-N	2	2	424.618	4.211	40	30		HIEBLP
CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1	ZINC000329044917	571306733	/nfs/dbraw/zinc/30/67/33/571306733.db2.gz	SYRVHANDAJIVHC-UHFFFAOYSA-N	2	2	404.518	4.859	40	30		HIEBLP
C[NH+](C)Cc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(C[NH+](C)C)c1O	ZINC000006437182	557702258	/nfs/dbraw/zinc/70/22/58/557702258.db2.gz	KHLXXSIJHPFZPM-BJMVGYQFSA-N	2	2	417.347	4.174	40	30		HIEBLP
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294634	571307401	/nfs/dbraw/zinc/30/74/01/571307401.db2.gz	SQOUFXMLDABLAK-LJQANCHMSA-N	2	2	412.607	4.658	40	30		HIEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294634	571307402	/nfs/dbraw/zinc/30/74/02/571307402.db2.gz	SQOUFXMLDABLAK-LJQANCHMSA-N	2	2	412.607	4.658	40	30		HIEBLP
C#CCOc1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	ZINC000036740539	518322712	/nfs/dbraw/zinc/32/27/12/518322712.db2.gz	KCCWSVYHOFWXQN-UHFFFAOYSA-N	2	2	421.585	4.414	40	30		HIEBLP
C#CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	ZINC000036740539	518322716	/nfs/dbraw/zinc/32/27/16/518322716.db2.gz	KCCWSVYHOFWXQN-UHFFFAOYSA-N	2	2	421.585	4.414	40	30		HIEBLP
COC(=O)c1ccccc1NC(CC[NH+]1CCN(c2ccccc2)CC1)=[NH+]C(C)(C)C	ZINC000005390517	557650355	/nfs/dbraw/zinc/65/03/55/557650355.db2.gz	TUQDGEBKIMTVNI-UHFFFAOYSA-N	2	2	422.573	4.104	40	30		HIEBLP
CC[NH+](CC)CC(C)(C)C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294633	571307382	/nfs/dbraw/zinc/30/73/82/571307382.db2.gz	SQOUFXMLDABLAK-IBGZPJMESA-N	2	2	412.607	4.658	40	30		HIEBLP
CC[NH+](CC)CC(C)(C)C[N@H+]1CCC[C@H]1c1cccc(Nc2ncc(C#N)s2)n1	ZINC000585294633	571307383	/nfs/dbraw/zinc/30/73/83/571307383.db2.gz	SQOUFXMLDABLAK-IBGZPJMESA-N	2	2	412.607	4.658	40	30		HIEBLP
C#CCOc1ccc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	ZINC000036740501	518323827	/nfs/dbraw/zinc/32/38/27/518323827.db2.gz	MZVZZLHHEMOALE-UHFFFAOYSA-N	2	2	421.585	4.414	40	30		HIEBLP
C#CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC	ZINC000036740501	518323831	/nfs/dbraw/zinc/32/38/31/518323831.db2.gz	MZVZZLHHEMOALE-UHFFFAOYSA-N	2	2	421.585	4.414	40	30		HIEBLP