smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1[O-]	ZINC000009259813	553227967	/nfs/dbraw/zinc/22/79/67/553227967.db2.gz	SDBAODYXGGTQPP-NYYWCZLTSA-N	-2	3	508.224	2.401	50	10		KECAHL
COc1ccc(-c2coc3c(CN4CCN(C)CC4)c([O-])c(CN4CCN(C)CC4)c([O-])c3c2=O)cc1	ZINC000020517637	553668699	/nfs/dbraw/zinc/66/86/99/553668699.db2.gz	VIISUBXULZEBTG-UHFFFAOYSA-N	-2	3	508.619	2.375	50	10	biogenic	KECAHL
O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000032915036	553876419	/nfs/dbraw/zinc/87/64/19/553876419.db2.gz	MBOGXINLTZAJLM-QFIPXVFZSA-N	-2	3	522.605	2.039	50	10		KECAHL
O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000032915039	553876525	/nfs/dbraw/zinc/87/65/25/553876525.db2.gz	MBOGXINLTZAJLM-JOCHJYFZSA-N	-2	3	522.605	2.039	50	10		KECAHL
CSc1cccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000101291485	554708605	/nfs/dbraw/zinc/70/86/05/554708605.db2.gz	NHIUZHRHHGKWTA-PXNSSMCTSA-N	-2	3	554.654	2.263	50	10		KECAHL
CSc1cccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000101291489	554708622	/nfs/dbraw/zinc/70/86/22/554708622.db2.gz	NHIUZHRHHGKWTA-FXAWDEMLSA-N	-2	3	554.654	2.263	50	10		KECAHL
Cc1ccc(C)c(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000101541146	554795784	/nfs/dbraw/zinc/79/57/84/554795784.db2.gz	CYUJVINBTPBUJU-RXVVDRJESA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1ccc(C)c(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000101541161	554795800	/nfs/dbraw/zinc/79/58/00/554795800.db2.gz	CYUJVINBTPBUJU-GHTZIAJQSA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1cccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1C	ZINC000102072881	554874043	/nfs/dbraw/zinc/87/40/43/554874043.db2.gz	UVGNVRUBTCVQBY-RXVVDRJESA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1cccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1C	ZINC000102072889	554874154	/nfs/dbraw/zinc/87/41/54/554874154.db2.gz	UVGNVRUBTCVQBY-GHTZIAJQSA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c(C)c1	ZINC000102072895	554874139	/nfs/dbraw/zinc/87/41/39/554874139.db2.gz	WNYPQVFCSODNHA-RXVVDRJESA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c(C)c1	ZINC000102072902	554874180	/nfs/dbraw/zinc/87/41/80/554874180.db2.gz	WNYPQVFCSODNHA-GHTZIAJQSA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1ccc(NC(=O)Cc2sc(N[C@@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])cc1C	ZINC000102072910	554874356	/nfs/dbraw/zinc/87/43/56/554874356.db2.gz	MDGCIYYOJROTHE-RXVVDRJESA-N	-2	3	536.614	2.157	50	10		KECAHL
Cc1ccc(NC(=O)Cc2sc(N[C@H](c3ccc(N(C)C)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])cc1C	ZINC000102072919	554874361	/nfs/dbraw/zinc/87/43/61/554874361.db2.gz	MDGCIYYOJROTHE-GHTZIAJQSA-N	-2	3	536.614	2.157	50	10		KECAHL
O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000102798280	555071955	/nfs/dbraw/zinc/07/19/55/555071955.db2.gz	BDDIKCQCWMTFKT-UHFFFAOYSA-N	-2	3	546.583	2.224	50	10		KECAHL