smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CO/N=C(/C)c1ccc2c(c1)OCO2	ZINC000059475815	524346004	/nfs/dbraw/zinc/34/60/04/524346004.db2.gz	JLECDMSBDKEEBX-QRVIBDJDSA-N	-1	0	428.397	1.664	10	30		IDEERM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](/N=C/c3ccco3)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004216358	562942767	/nfs/dbraw/zinc/94/27/67/562942767.db2.gz	BWENFVHXWNVVGN-HANWARPLSA-N	-1	0	443.481	1.777	10	30	in-man	IDEERM
O=C([O-])c1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000012580157	526361050	/nfs/dbraw/zinc/36/10/50/526361050.db2.gz	IJYGSVSITBKZTL-XDHOZWIPSA-N	-1	0	434.430	1.760	10	30		IDEERM
CC(=O)Nc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)[n-]c1=O	ZINC000003659172	562937514	/nfs/dbraw/zinc/93/75/14/562937514.db2.gz	GEMYSNLUBNJLMH-UHFFFAOYSA-N	-1	0	447.542	1.468	10	30		IDEERM
O=C([O-])c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1	ZINC000013337740	526361500	/nfs/dbraw/zinc/36/15/00/526361500.db2.gz	AEDJRQMSUXWXQW-XDHOZWIPSA-N	-1	0	434.430	1.760	10	30		IDEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(C)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000071789609	522034539	/nfs/dbraw/zinc/03/45/39/522034539.db2.gz	XITKXPNIDXEFHU-GMBDQTOASA-N	-1	0	442.468	1.061	10	30		IDEERM
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)[O-]	ZINC000008551485	560209177	/nfs/dbraw/zinc/20/91/77/560209177.db2.gz	JOVLCJDINAUYJW-MKIDGPAKSA-N	-1	0	442.530	1.609	10	30	in-vitro	IDEERM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(C)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000071789610	522034384	/nfs/dbraw/zinc/03/43/84/522034384.db2.gz	XITKXPNIDXEFHU-IOEPHAMKSA-N	-1	0	442.468	1.061	10	30		IDEERM
O=C([O-])c1ccccc1CN=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009138561	562967779	/nfs/dbraw/zinc/96/77/79/562967779.db2.gz	NINFZIGNCFCBIQ-XDHOZWIPSA-N	-1	0	434.430	1.760	10	30		IDEERM