smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843642	720650055	/nfs/dbraw/zinc/65/00/55/720650055.db2.gz	WYOYJTHPWIOTLG-FGTMMUONSA-N	1	1	465.551	2.101	20	70		JEIDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164789416	721473873	/nfs/dbraw/zinc/47/38/73/721473873.db2.gz	MMDLYFFDAZKSBI-LJQANCHMSA-N	1	1	499.605	2.260	20	70		JEIDMO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715187	720158177	/nfs/dbraw/zinc/15/81/77/720158177.db2.gz	SZKMYWDXSKFPTB-IBGZPJMESA-N	1	1	492.573	2.429	20	70		JEIDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715187	720158182	/nfs/dbraw/zinc/15/81/82/720158182.db2.gz	SZKMYWDXSKFPTB-IBGZPJMESA-N	1	1	492.573	2.429	20	70		JEIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843674	720650699	/nfs/dbraw/zinc/65/06/99/720650699.db2.gz	WYOYJTHPWIOTLG-OKZBNKHCSA-N	1	1	465.551	2.101	20	70		JEIDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164789345	721473712	/nfs/dbraw/zinc/47/37/12/721473712.db2.gz	MMDLYFFDAZKSBI-IBGZPJMESA-N	1	1	499.605	2.260	20	70		JEIDMO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715190	720157804	/nfs/dbraw/zinc/15/78/04/720157804.db2.gz	SZKMYWDXSKFPTB-LJQANCHMSA-N	1	1	492.573	2.429	20	70		JEIDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164715190	720157810	/nfs/dbraw/zinc/15/78/10/720157810.db2.gz	SZKMYWDXSKFPTB-LJQANCHMSA-N	1	1	492.573	2.429	20	70		JEIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843677	720650361	/nfs/dbraw/zinc/65/03/61/720650361.db2.gz	WYOYJTHPWIOTLG-RCCFBDPRSA-N	1	1	465.551	2.101	20	70		JEIDMO
O=S(=O)(F)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1	ZINC001164751355	720914552	/nfs/dbraw/zinc/91/45/52/720914552.db2.gz	LOIPEPFOTQUELI-KNQAVFIVSA-N	1	1	461.563	2.285	20	70		JEIDMO
COC(=O)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(S(=O)(=O)F)c1	ZINC001164843670	720650013	/nfs/dbraw/zinc/65/00/13/720650013.db2.gz	WYOYJTHPWIOTLG-KZNAEPCWSA-N	1	1	465.551	2.101	20	70		JEIDMO
O=S(=O)(F)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1	ZINC001164751359	720913677	/nfs/dbraw/zinc/91/36/77/720913677.db2.gz	LOIPEPFOTQUELI-UGKGYDQZSA-N	1	1	461.563	2.285	20	70		JEIDMO
O=S(=O)(F)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1	ZINC001164751357	720914321	/nfs/dbraw/zinc/91/43/21/720914321.db2.gz	LOIPEPFOTQUELI-SIKLNZKXSA-N	1	1	461.563	2.285	20	70		JEIDMO
O=S(=O)(F)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1	ZINC001164751353	720913649	/nfs/dbraw/zinc/91/36/49/720913649.db2.gz	LOIPEPFOTQUELI-DENIHFKCSA-N	1	1	461.563	2.285	20	70		JEIDMO