smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)CC1	ZINC000217010205	557166500	/nfs/dbraw/zinc/16/65/00/557166500.db2.gz	WBQMVMMHMAUQIM-UHFFFAOYSA-N	1	1	426.399	2.879	40	70		IFIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCOc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043860925	563121337	/nfs/dbraw/zinc/12/13/37/563121337.db2.gz	ZYSBVCPWGCFOTF-UHFFFAOYSA-N	1	1	447.536	2.932	40	70		IFIBMO
CCOc1ccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1	ZINC000218293356	557189681	/nfs/dbraw/zinc/18/96/81/557189681.db2.gz	XWNOMZDNGLNDAG-LJQANCHMSA-N	1	1	445.585	2.584	40	70		IFIBMO
C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218468354	557201483	/nfs/dbraw/zinc/20/14/83/557201483.db2.gz	YKNNWQJBYTYYIY-KRWDZBQOSA-N	1	1	435.977	2.839	40	70		IFIBMO
O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218057101	557176465	/nfs/dbraw/zinc/17/64/65/557176465.db2.gz	RRMKGXDODDKGHU-KLGLLFHNSA-N	1	1	434.540	2.925	40	70		IFIBMO
O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218057037	557176407	/nfs/dbraw/zinc/17/64/07/557176407.db2.gz	RRMKGXDODDKGHU-UVYNTUDKSA-N	1	1	434.540	2.925	40	70		IFIBMO
CCOc1ccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1	ZINC000218293295	557189724	/nfs/dbraw/zinc/18/97/24/557189724.db2.gz	XWNOMZDNGLNDAG-IBGZPJMESA-N	1	1	445.585	2.584	40	70		IFIBMO
C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218468426	557201457	/nfs/dbraw/zinc/20/14/57/557201457.db2.gz	YKNNWQJBYTYYIY-QGZVFWFLSA-N	1	1	435.977	2.839	40	70		IFIBMO