smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN=Nc2n[n-]c(SCC(=O)Nc3ccc(Cl)cc3F)n2)c([N+](=O)[O-])cc1O	ZINC000020227999	555718428	/nfs/dbraw/zinc/71/84/28/555718428.db2.gz	BXPSLIVRWINAEO-QPSGOUHRSA-N	-1	1	495.880	3.396	10	30		JGEEMM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3ccc(C)cc3)c2C(=O)OC)C1	ZINC000014991557	518695037	/nfs/dbraw/zinc/69/50/37/518695037.db2.gz	MTHVJOMJLJOREB-UHFFFAOYSA-N	-1	1	462.593	3.173	10	30		JGEEMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)cc1	ZINC000096336825	130073580	/nfs/dbraw/zinc/07/35/80/130073580.db2.gz	FQBPYXZGPLGKRJ-FQEVSTJZSA-N	-1	1	452.463	3.256	10	30		JGEEMM
COc1ccc(O)c(C=NNc2nnc(SCC(=O)NCc3cccc(C(F)(F)F)c3)[n-]2)c1	ZINC000020228843	555719419	/nfs/dbraw/zinc/71/94/19/555719419.db2.gz	PIZOEKQYMFKPMJ-KIBLKLHPSA-N	-1	1	480.472	3.392	10	30		JGEEMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc([N+](=O)[O-])o3)c([N+](=O)[O-])c2)cc1	ZINC000005941029	524692034	/nfs/dbraw/zinc/69/20/34/524692034.db2.gz	VILUCKSMYXYJHD-YBFXNURJSA-N	-1	1	461.412	3.351	10	30		JGEEMM
COc1cc(CN=Nc2n[n-]c(SCC(=O)Nc3cccc(Cl)c3)n2)c([N+](=O)[O-])cc1O	ZINC000020228003	555718644	/nfs/dbraw/zinc/71/86/44/555718644.db2.gz	KJWDSJRTRDAYJH-DNTJNYDQSA-N	-1	1	477.890	3.257	10	30		JGEEMM
COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(O)cc3O)c([N+](=O)[O-])c2)cc1	ZINC000009140129	524692857	/nfs/dbraw/zinc/69/28/57/524692857.db2.gz	UDEUVHRGMFLKRQ-CIAFOILYSA-N	-1	1	458.452	3.261	10	30		JGEEMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(F)c2)cc1	ZINC000096336823	130073620	/nfs/dbraw/zinc/07/36/20/130073620.db2.gz	FQBPYXZGPLGKRJ-HXUWFJFHSA-N	-1	1	452.463	3.256	10	30		JGEEMM
Cc1ccc(C=NNc2nnc(SCCC(=O)Nc3cccc(N4CCCC4=O)c3)[n-]2)o1	ZINC000020407312	525964176	/nfs/dbraw/zinc/96/41/76/525964176.db2.gz	OWKVSVXTGMISND-LPYMAVHISA-N	-1	1	453.528	3.400	10	30		JGEEMM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc(O)c2)c([N+](=O)[O-])c1	ZINC000009140167	526397640	/nfs/dbraw/zinc/39/76/40/526397640.db2.gz	BMRYCJWCRFZAOH-CIAFOILYSA-N	-1	1	456.436	3.245	10	30		JGEEMM
N#Cc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000009716582	526585243	/nfs/dbraw/zinc/58/52/43/526585243.db2.gz	MNJZVVCUGYRXMM-YDZHTSKRSA-N	-1	1	465.447	3.411	10	30		JGEEMM
COc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000009140164	562955651	/nfs/dbraw/zinc/95/56/51/562955651.db2.gz	LZJWACDYXIPMKB-WSDLNYQXSA-N	-1	1	486.462	3.254	10	30		JGEEMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2	ZINC000012281716	518959541	/nfs/dbraw/zinc/95/95/41/518959541.db2.gz	UIHOSNHBZPMBCI-UHFFFAOYSA-N	-1	1	488.509	3.216	10	30		JGEEMM
COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccccc3OC)[n-]2)c(OC)c1	ZINC000020157454	555676195	/nfs/dbraw/zinc/67/61/95/555676195.db2.gz	PAAQOGHNEZFPPV-QFEZKATASA-N	-1	1	470.555	3.075	10	30		JGEEMM