smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000409218415	560697756	/nfs/dbraw/zinc/69/77/56/560697756.db2.gz	VAORSWFQOUWNSX-PTNGSMBKSA-N	-2	0	410.382	2.215	40	10		HECBRL
O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033863974	569360668	/nfs/dbraw/zinc/36/06/68/569360668.db2.gz	SNMISXJIVCJRPJ-SDQBBNPISA-N	-2	0	417.761	2.173	40	10		HECBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000001105128	536598422	/nfs/dbraw/zinc/59/84/22/536598422.db2.gz	HMUVVIFHMSPNJY-NTEUORMPSA-N	-2	0	412.423	2.233	40	10		HECBRL
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1[O-]	ZINC000408853577	560647478	/nfs/dbraw/zinc/64/74/78/560647478.db2.gz	PTMZNFXACKIJHJ-NTUHNPAUSA-N	-2	0	401.306	2.115	40	10		HECBRL
O=C([O-])COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000409069106	560672656	/nfs/dbraw/zinc/67/26/56/560672656.db2.gz	WGISXHOIWCDZEY-LCYFTJDESA-N	-2	0	400.774	2.470	40	10		HECBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361139	569072379	/nfs/dbraw/zinc/07/23/79/569072379.db2.gz	ZGZXQTLOJUWEAG-YFBAIUBQSA-N	-2	0	403.441	2.149	40	10		HECBRL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361181	569072381	/nfs/dbraw/zinc/07/23/81/569072381.db2.gz	BPGMNBSEEWUCRM-BFTHVDOESA-N	-2	0	403.441	2.149	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408775025	560639499	/nfs/dbraw/zinc/63/94/99/560639499.db2.gz	FGCYLRVGAZHYAL-CXUHLZMHSA-N	-2	0	424.409	2.442	40	10		HECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409048408	560669736	/nfs/dbraw/zinc/66/97/36/560669736.db2.gz	SVQLHCNEMXILMK-UKTHLTGXSA-N	-2	0	400.774	2.470	40	10		HECBRL
CCOc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3cccc(C(=O)[O-])c3)C1=O)OCO2	ZINC000009259674	132337695	/nfs/dbraw/zinc/33/76/95/132337695.db2.gz	GIXCHUXJSGGHTG-AUWJEWJLSA-N	-2	0	424.365	2.179	40	10		HECBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123437	559158212	/nfs/dbraw/zinc/15/82/12/559158212.db2.gz	IWBXWZSIKAASOK-JRELAMLQSA-N	-2	0	414.519	2.205	40	10		HECBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000103849077	560734549	/nfs/dbraw/zinc/73/45/49/560734549.db2.gz	DPSNMXHESXXLHI-PCJMVEANSA-N	-2	0	406.373	2.374	40	10		HECBRL
O=C([O-])COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-]	ZINC000107966968	569361239	/nfs/dbraw/zinc/36/12/39/569361239.db2.gz	AUHJAUREOACDSF-QPEQYQDCSA-N	-2	0	417.761	2.173	40	10		HECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000100343801	559134217	/nfs/dbraw/zinc/13/42/17/559134217.db2.gz	XAOIBQDZCZVXEY-YPOUMIDOSA-N	-2	0	418.409	2.243	40	10		HECBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123392	559158170	/nfs/dbraw/zinc/15/81/70/559158170.db2.gz	QRHQRAKZPLHEEN-OUIWWDRTSA-N	-2	0	408.490	2.144	40	10		HECBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123398	559158164	/nfs/dbraw/zinc/15/81/64/559158164.db2.gz	QRHQRAKZPLHEEN-RUWSDDDDSA-N	-2	0	408.490	2.144	40	10		HECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409189309	560688672	/nfs/dbraw/zinc/68/86/72/560688672.db2.gz	PFNBEOBLELQQOJ-PILJQMSFSA-N	-2	0	410.382	2.214	40	10		HECBRL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(I)c1	ZINC000409399795	560720763	/nfs/dbraw/zinc/72/07/63/560720763.db2.gz	MMQIONAOHFSVHJ-WQLSENKSSA-N	-2	0	406.179	2.458	40	10		HECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409044989	560669275	/nfs/dbraw/zinc/66/92/75/560669275.db2.gz	WXVITAGZJKNWIP-NTUHNPAUSA-N	-2	0	416.773	2.175	40	10		HECBRL
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000033454246	569360173	/nfs/dbraw/zinc/36/01/73/569360173.db2.gz	SQCCJHCRBXNRPT-ZSOIEALJSA-N	-2	0	402.790	2.273	40	10		HECBRL
O=C([O-])COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000107722693	569360991	/nfs/dbraw/zinc/36/09/91/569360991.db2.gz	QPEQZXAOIRJYNJ-ZROIWOOFSA-N	-2	0	417.215	2.374	40	10		HECBRL
O=C([O-])CSc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000019152627	569414263	/nfs/dbraw/zinc/41/42/63/569414263.db2.gz	WFEHMDGBQFNSCU-ZSOIEALJSA-N	-2	0	401.400	2.031	40	10		HECBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)n1	ZINC000104090328	559157840	/nfs/dbraw/zinc/15/78/40/559157840.db2.gz	HTCNLWVMTHWXMF-DQRAZIAOSA-N	-2	0	418.464	2.368	40	10		HECBRL
O=C([O-])COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000108047785	569361243	/nfs/dbraw/zinc/36/12/43/569361243.db2.gz	OYTNJJZIPJDUHG-JYRVWZFOSA-N	-2	0	417.215	2.374	40	10		HECBRL
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1	ZINC000409396055	560721125	/nfs/dbraw/zinc/72/11/25/560721125.db2.gz	VUQFYJQTZFMVEK-SFQUDFHCSA-N	-2	0	402.366	2.237	40	10		HECBRL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000011565501	558264049	/nfs/dbraw/zinc/26/40/49/558264049.db2.gz	SFMQSTJELRCHBV-XJLIXMDFSA-N	-2	0	408.413	2.280	40	10		HECBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000034718534	557016606	/nfs/dbraw/zinc/01/66/06/557016606.db2.gz	XWYHJNMFPIXUBR-ZENNRRHLSA-N	-2	0	412.398	2.017	40	10		HECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232528	560700575	/nfs/dbraw/zinc/70/05/75/560700575.db2.gz	QQLATLOBUQKLRS-YGRGUWMTSA-N	-2	0	410.382	2.214	40	10		HECBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123433	559158129	/nfs/dbraw/zinc/15/81/29/559158129.db2.gz	IWBXWZSIKAASOK-OGNJIVFWSA-N	-2	0	414.519	2.205	40	10		HECBRL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408783701	560641204	/nfs/dbraw/zinc/64/12/04/560641204.db2.gz	QGWZLSXGMHYVJM-NTEUORMPSA-N	-2	0	400.774	2.470	40	10		HECBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000408937344	560656289	/nfs/dbraw/zinc/65/62/89/560656289.db2.gz	IXRUQIYJNLGTFE-XNTDXEJSSA-N	-2	0	410.382	2.459	40	10		HECBRL
O=C([O-])CN1C(=O)C(=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)c2ccccc21	ZINC000008821915	557810706	/nfs/dbraw/zinc/81/07/06/557810706.db2.gz	KMWCJOLILGWXDM-NXVVXOECSA-N	-2	0	423.406	2.269	40	10		HECBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3c(N)[nH]c(=S)[nH]c3=O)cc2)s1	ZINC000104090432	559157856	/nfs/dbraw/zinc/15/78/56/559157856.db2.gz	VZTNKKAPOBXKHA-HNENSFHCSA-N	-2	0	424.493	2.429	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408692341	557708863	/nfs/dbraw/zinc/70/88/63/557708863.db2.gz	KGJUBQNCRRFQPV-WUXMJOGZSA-N	-2	0	422.821	2.216	40	10		HECBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123442	559158195	/nfs/dbraw/zinc/15/81/95/559158195.db2.gz	IWBXWZSIKAASOK-ZAUPALIDSA-N	-2	0	414.519	2.205	40	10		HECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408851452	560647248	/nfs/dbraw/zinc/64/72/48/560647248.db2.gz	ZOBMGEBCLHINMC-NTUHNPAUSA-N	-2	0	413.342	2.071	40	10		HECBRL
O=C([O-])COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1	ZINC000409068033	560672613	/nfs/dbraw/zinc/67/26/13/560672613.db2.gz	FKLVXFIRVZVROJ-NVNXTCNLSA-N	-2	0	400.774	2.470	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1O	ZINC000408935972	560656006	/nfs/dbraw/zinc/65/60/06/560656006.db2.gz	FJQWGUJJYLCIDS-WUXMJOGZSA-N	-2	0	416.773	2.419	40	10		HECBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000409046400	560669522	/nfs/dbraw/zinc/66/95/22/560669522.db2.gz	KLMDCTDIBAMPAZ-OVCLIPMQSA-N	-2	0	400.774	2.470	40	10		HECBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000033718980	569360381	/nfs/dbraw/zinc/36/03/81/569360381.db2.gz	RTWZYEZLCZTNCF-BOPFTXTBSA-N	-2	0	408.410	2.349	40	10		HECBRL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O	ZINC000408527832	557288280	/nfs/dbraw/zinc/28/82/80/557288280.db2.gz	GNEIFVIIKAGZMJ-DHZHZOJOSA-N	-2	0	401.762	2.323	40	10		HECBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123401	559158176	/nfs/dbraw/zinc/15/81/76/559158176.db2.gz	QRHQRAKZPLHEEN-AKDSAVJFSA-N	-2	0	408.490	2.144	40	10		HECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409189308	560688741	/nfs/dbraw/zinc/68/87/41/560688741.db2.gz	PFNBEOBLELQQOJ-JASJWYONSA-N	-2	0	410.382	2.214	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408842752	560646277	/nfs/dbraw/zinc/64/62/77/560646277.db2.gz	BBSSOIBLODUDNT-WUXMJOGZSA-N	-2	0	401.306	2.115	40	10		HECBRL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409046233	560669442	/nfs/dbraw/zinc/66/94/42/560669442.db2.gz	JKXOFADFGBQLGI-RIYZIHGNSA-N	-2	0	400.774	2.470	40	10		HECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1O	ZINC000409191812	560689532	/nfs/dbraw/zinc/68/95/32/560689532.db2.gz	NWEMYWCHNRBKLI-NTEUORMPSA-N	-2	0	412.423	2.320	40	10		HECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC	ZINC000409195778	560690359	/nfs/dbraw/zinc/69/03/59/560690359.db2.gz	VYKKEOBZUOVDCJ-GXDHUFHOSA-N	-2	0	412.423	2.233	40	10		HECBRL
CCOc1ccc(C(=O)[O-])cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000408827124	560645654	/nfs/dbraw/zinc/64/56/54/560645654.db2.gz	UQCHIVQNNZFNOP-LFIBNONCSA-N	-2	0	410.382	2.459	40	10		HECBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C2=O)cc1	ZINC000009260018	132337763	/nfs/dbraw/zinc/33/77/63/132337763.db2.gz	XAOIBQDZCZVXEY-BOFQVRIASA-N	-2	0	418.409	2.243	40	10		HECBRL
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000409191117	560689262	/nfs/dbraw/zinc/68/92/62/560689262.db2.gz	SOTKGLXPAYNBCL-XNTDXEJSSA-N	-2	0	412.423	2.233	40	10		HECBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OC	ZINC000408936501	560656020	/nfs/dbraw/zinc/65/60/20/560656020.db2.gz	KPIUPWJZHGCTSV-XNTDXEJSSA-N	-2	0	410.382	2.459	40	10		HECBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1	ZINC000409072938	560673585	/nfs/dbraw/zinc/67/35/85/560673585.db2.gz	FKZQDMRYZQEPGS-BOPFTXTBSA-N	-2	0	410.382	2.215	40	10		HECBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S	ZINC000054361138	569072416	/nfs/dbraw/zinc/07/24/16/569072416.db2.gz	ZGZXQTLOJUWEAG-OEMOTLHWSA-N	-2	0	403.441	2.149	40	10		HECBRL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000008765647	557806169	/nfs/dbraw/zinc/80/61/69/557806169.db2.gz	SFMQSTJELRCHBV-XWIYWHSKSA-N	-2	0	408.413	2.280	40	10		HECBRL
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000409042819	560669054	/nfs/dbraw/zinc/66/90/54/560669054.db2.gz	CVYKNSSXMGTOPQ-RIYZIHGNSA-N	-2	0	416.773	2.175	40	10		HECBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000409188237	560688137	/nfs/dbraw/zinc/68/81/37/560688137.db2.gz	BXUQMWLUUWBJFD-RVDMUPIBSA-N	-2	0	411.439	2.409	40	10		HECBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409390222	560720655	/nfs/dbraw/zinc/72/06/55/560720655.db2.gz	DQOIIAYRWCOILF-SFQUDFHCSA-N	-2	0	402.366	2.237	40	10		HECBRL
COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000009189388	557826612	/nfs/dbraw/zinc/82/66/12/557826612.db2.gz	ZIYWYCXOMFUOMK-JYRVWZFOSA-N	-2	0	411.457	2.225	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000145940655	559115221	/nfs/dbraw/zinc/11/52/21/559115221.db2.gz	VMHCZOJFILCETQ-NTUHNPAUSA-N	-2	0	413.411	2.449	40	10		HECBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)s1	ZINC000104123430	559158149	/nfs/dbraw/zinc/15/81/49/559158149.db2.gz	IWBXWZSIKAASOK-GLTXTHCDSA-N	-2	0	414.519	2.205	40	10		HECBRL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000409047383	560669745	/nfs/dbraw/zinc/66/97/45/560669745.db2.gz	OMEFAWPRQDVVFI-FMIVXFBMSA-N	-2	0	400.774	2.470	40	10		HECBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3sc(=S)[nH]c3[O-])cc2)n1	ZINC000104123405	559158121	/nfs/dbraw/zinc/15/81/21/559158121.db2.gz	QRHQRAKZPLHEEN-ROHOOWMXSA-N	-2	0	408.490	2.144	40	10		HECBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408770880	560638702	/nfs/dbraw/zinc/63/87/02/560638702.db2.gz	ASRRJHANRKBWPK-OQLLNIDSSA-N	-2	0	410.382	2.133	40	10		HECBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000409188817	560688132	/nfs/dbraw/zinc/68/81/32/560688132.db2.gz	ASDFQMSRZKJKEO-OQLLNIDSSA-N	-2	0	412.423	2.233	40	10		HECBRL
COc1cc(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC(=O)[O-]	ZINC000006627799	569360056	/nfs/dbraw/zinc/36/00/56/569360056.db2.gz	SQCCJHCRBXNRPT-RIYZIHGNSA-N	-2	0	402.790	2.273	40	10		HECBRL
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1C(=O)[O-]	ZINC000006351477	132310467	/nfs/dbraw/zinc/31/04/67/132310467.db2.gz	UUZGEOMJRBSLFC-LFIBNONCSA-N	-2	0	410.382	2.459	40	10		HECBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408965637	560659000	/nfs/dbraw/zinc/65/90/00/560659000.db2.gz	LBOCQZGONUUGAI-WUXMJOGZSA-N	-2	0	416.277	2.014	40	10		HECBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232527	560700499	/nfs/dbraw/zinc/70/04/99/560700499.db2.gz	QQLATLOBUQKLRS-PKVLTRFUSA-N	-2	0	410.382	2.214	40	10		HECBRL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S	ZINC000054361180	569072415	/nfs/dbraw/zinc/07/24/15/569072415.db2.gz	BPGMNBSEEWUCRM-BPLGCGBFSA-N	-2	0	403.441	2.149	40	10		HECBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000034718535	569360568	/nfs/dbraw/zinc/36/05/68/569360568.db2.gz	XWYHJNMFPIXUBR-CDCQXCROSA-N	-2	0	412.398	2.017	40	10		HECBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1	ZINC000002281291	132251359	/nfs/dbraw/zinc/25/13/59/132251359.db2.gz	SHBSIGOCIBABAJ-LFIBNONCSA-N	-2	0	410.382	2.215	40	10		HECBRL