smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CCc1ccccc1)/N=C/c1cc(Br)ccc1[O-]	ZINC000057411986	214426440	/nfs/dbraw/zinc/42/64/40/214426440.db2.gz	VXWUWJISOQDRAP-KZKLBEMASA-N	-1	3	332.241	4.595	40	30		EJEBHM
O=[N+]([O-])c1cc(/N=C\c2ccc3ccccc3c2[O-])ccc1Cl	ZINC000100248495	219095616	/nfs/dbraw/zinc/09/56/16/219095616.db2.gz	IAWIAVHYVPSUPT-GRSHGNNSSA-N	-1	3	326.739	4.858	40	30		EJEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C1\C[C@@H](c2ccccc2)N=N1	ZINC000101581292	219142311	/nfs/dbraw/zinc/14/23/11/219142311.db2.gz	UWFRVXQVAIHVLF-KEYNLRLVSA-N	-1	3	328.375	4.875	40	30		EJEBHM
Cc1ccc(/N=C\c2cc(C)cc(/C=N\c3ccc(C)cn3)c2[O-])nc1	ZINC000100146953	206216537	/nfs/dbraw/zinc/21/65/37/206216537.db2.gz	DHKDPKHYGWLHPJ-CPGLPWGESA-N	-1	3	344.418	4.609	40	30		EJEBHM
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c([O-])c1	ZINC000000346743	525967684	/nfs/dbraw/zinc/96/76/84/525967684.db2.gz	GCICKRWXCISKND-HYARGMPZSA-N	-1	3	331.371	4.670	40	30		EJEBHM
CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2[O-])cc1OC	ZINC000409379858	564011951	/nfs/dbraw/zinc/01/19/51/564011951.db2.gz	ADXCTKZSZDBZLS-WXYNYTDUSA-N	-1	3	333.815	4.982	40	30		EJEBHM
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc([O-])c1	ZINC000001454957	564074690	/nfs/dbraw/zinc/07/46/90/564074690.db2.gz	AUANPDRAXNBDPG-UHFFFAOYSA-O	-1	3	343.859	4.991	40	30		EJEBHM
Cc1ccc2nc(-c3ccc(/N=C/c4ccc([O-])cc4O)cc3)oc2c1	ZINC000003092311	564155085	/nfs/dbraw/zinc/15/50/85/564155085.db2.gz	USHBPQAAWRNEOE-WSDLNYQXSA-N	-1	3	344.370	4.965	40	30		EJEBHM
Cc1ccc2nc(-c3ccc(/N=C/c4ccc(O)cc4[O-])cc3)oc2c1	ZINC000003092311	564155086	/nfs/dbraw/zinc/15/50/86/564155086.db2.gz	USHBPQAAWRNEOE-WSDLNYQXSA-N	-1	3	344.370	4.965	40	30		EJEBHM
[O-]c1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2ccccn21	ZINC000100932929	206266286	/nfs/dbraw/zinc/26/62/86/206266286.db2.gz	DCMFCTNUVTZPFK-RGVLZGJSSA-N	-1	3	337.766	4.704	40	30		EJEBHM
[O-]c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1	ZINC000409010610	257882868	/nfs/dbraw/zinc/88/28/68/257882868.db2.gz	CNHOKGAEGGEPNY-XDHOZWIPSA-N	-1	3	341.208	4.696	40	30		EJEBHM
Cc1cc(C)cc([C@H](C)/N=C/c2cc(Br)ccc2[O-])c1	ZINC000017141952	563838390	/nfs/dbraw/zinc/83/83/90/563838390.db2.gz	SZIMQWAWDOGJCK-UZPSYVQNSA-N	-1	3	332.241	4.952	40	30		EJEBHM
[O-]c1ccc(Cl)cc1C=NNc1ccnc2cc(Cl)ccc21	ZINC000036253995	563643946	/nfs/dbraw/zinc/64/39/46/563643946.db2.gz	DHXBQTIGWIUSLR-UKWGHVSLSA-N	-1	3	332.190	4.693	40	30		EJEBHM
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1cccc(Cl)c1	ZINC000409072725	564009498	/nfs/dbraw/zinc/00/94/98/564009498.db2.gz	DCDOGBIYLFLPLP-CIAFOILYSA-N	-1	3	345.826	4.854	40	30		EJEBHM
CCCCCCCCCCc1c(C)nc(N2CCCCC2)[n-]c1=O	ZINC000102241487	219192289	/nfs/dbraw/zinc/19/22/89/219192289.db2.gz	WSIJUPQBUWMSTD-UHFFFAOYSA-N	-1	3	333.520	4.752	40	30		EJEBHM
Cc1cc(C)cc([C@H](C)/N=C\c2cc(Br)ccc2[O-])c1	ZINC000104237680	219364551	/nfs/dbraw/zinc/36/45/51/219364551.db2.gz	SZIMQWAWDOGJCK-GJUHEBOISA-N	-1	3	332.241	4.952	40	30		EJEBHM
C=CC(C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846405	519300260	/nfs/dbraw/zinc/30/02/60/519300260.db2.gz	DSDGITVLZKIPAY-DSLXNQLJSA-N	-1	3	328.452	4.676	40	30		EJEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000011864327	520647109	/nfs/dbraw/zinc/64/71/09/520647109.db2.gz	JKQYLWIWFUXHNG-OCKHKDLRSA-N	-1	3	340.206	4.779	40	30		EJEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccccc21	ZINC000408742692	563639987	/nfs/dbraw/zinc/63/99/87/563639987.db2.gz	XVVHPSGMGNNYFA-VZMFNRANSA-N	-1	3	327.387	4.581	40	30		EJEBHM
C=CCc1cccc(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)c1[O-]	ZINC000013281258	563693447	/nfs/dbraw/zinc/69/34/47/563693447.db2.gz	YJVAWHILBNZKJH-LSHDLFTRSA-N	-1	3	345.324	4.766	40	30		EJEBHM
CCCCCCOc1c(Br)cc(/C=N\[O-])cc1OCC	ZINC000011864746	564018017	/nfs/dbraw/zinc/01/80/17/564018017.db2.gz	SPPGMZXWANWPJV-BOPFTXTBSA-N	-1	3	344.249	4.615	40	30		EJEBHM
[O-]c1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1	ZINC000059461331	564050597	/nfs/dbraw/zinc/05/05/97/564050597.db2.gz	PEXABUKWOVYAIC-JURCDDRXSA-N	-1	3	338.388	4.583	40	30		EJEBHM
[O-]c1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1	ZINC000059461332	564050599	/nfs/dbraw/zinc/05/05/99/564050599.db2.gz	PEXABUKWOVYAIC-XOKFLVCFSA-N	-1	3	338.388	4.583	40	30		EJEBHM
COc1cccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)c1	ZINC000100502982	219100362	/nfs/dbraw/zinc/10/03/62/219100362.db2.gz	OPZMSXBISJVUME-LPYMAVHISA-N	-1	3	344.370	4.960	40	30		EJEBHM
CCN(CC)c1ccc(/C=C2/Sc3ccccc3C2=O)c([O-])c1	ZINC000000208123	563260051	/nfs/dbraw/zinc/26/00/51/563260051.db2.gz	BELDYRUVTOMCCD-WOJGMQOQSA-N	-1	3	325.433	4.568	40	30		EJEBHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000103851782	563983467	/nfs/dbraw/zinc/98/34/67/563983467.db2.gz	JKQYLWIWFUXHNG-DJKKODMXSA-N	-1	3	340.206	4.779	40	30		EJEBHM
CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3[O-])c2C)cc1	ZINC000409183441	564010876	/nfs/dbraw/zinc/01/08/76/564010876.db2.gz	CQUDWQQFPSWWBY-HMAPJEAMSA-N	-1	3	334.419	4.949	40	30		EJEBHM
C=CCc1cc(/C=N/c2cc(Cl)ccc2OC)cc(OCC)c1[O-]	ZINC000059248917	564050546	/nfs/dbraw/zinc/05/05/46/564050546.db2.gz	MMQBWDUSYCRYKV-CIAFOILYSA-N	-1	3	345.826	4.932	40	30		EJEBHM
[O-]c1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1	ZINC000003045115	564129745	/nfs/dbraw/zinc/12/97/45/564129745.db2.gz	VKIZRUSVHKIKLR-HYARGMPZSA-N	-1	3	341.370	4.860	40	30		EJEBHM
Cc1ccc(/N=C/c2cc(C)cc(/C=N/c3ccc(C)cn3)c2[O-])nc1	ZINC000100146955	219092408	/nfs/dbraw/zinc/09/24/08/219092408.db2.gz	DHKDPKHYGWLHPJ-DWGHPKEWSA-N	-1	3	344.418	4.609	40	30		EJEBHM
[O-]c1ccc(Br)cc1/C=N\c1cccc(C(F)(F)F)c1	ZINC000100315290	219096746	/nfs/dbraw/zinc/09/67/46/219096746.db2.gz	HZEUNSTWVBILMM-UWVJOHFNSA-N	-1	3	344.130	4.924	40	30		EJEBHM
CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)CC)cc2)c1[O-]	ZINC000006050631	563558091	/nfs/dbraw/zinc/55/80/91/563558091.db2.gz	JCESRKSZWPKARO-RGVLZGJSSA-N	-1	3	346.814	4.543	40	30		EJEBHM
C/C(=N\N=C(/C)c1cc(Cl)ccc1O)c1cc(Cl)ccc1[O-]	ZINC000006373583	563566368	/nfs/dbraw/zinc/56/63/68/563566368.db2.gz	NXRQFPUBDRLZNI-LQGKIZFRSA-N	-1	3	337.206	4.638	40	30		EJEBHM
O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)ccc1[O-]	ZINC000008381347	563628252	/nfs/dbraw/zinc/62/82/52/563628252.db2.gz	TXIASVZZUFTTQH-KGENOOAVSA-N	-1	3	332.359	4.642	40	30		EJEBHM
Cc1cccc(C(=O)Nc2ccc(/N=C/c3ccccc3[O-])cc2)c1	ZINC000000345220	563996816	/nfs/dbraw/zinc/99/68/16/563996816.db2.gz	HRCITKPHXMXOBW-HYARGMPZSA-N	-1	3	330.387	4.704	40	30		EJEBHM
[O-]c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1	ZINC000059250535	564050593	/nfs/dbraw/zinc/05/05/93/564050593.db2.gz	WUENIPLUYVMZJR-XDHOZWIPSA-N	-1	3	341.208	4.696	40	30		EJEBHM
[O-]c1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1	ZINC000059461330	564050609	/nfs/dbraw/zinc/05/06/09/564050609.db2.gz	PEXABUKWOVYAIC-OTMUCCKHSA-N	-1	3	338.388	4.583	40	30		EJEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000100250361	564066194	/nfs/dbraw/zinc/06/61/94/564066194.db2.gz	RAAWWSJKHKLFRK-OCKHKDLRSA-N	-1	3	340.206	4.779	40	30		EJEBHM
COc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1Br	ZINC000000569635	563348757	/nfs/dbraw/zinc/34/87/57/563348757.db2.gz	IFOOCJNNTQDRGQ-CAOOACKPSA-N	-1	3	340.604	4.567	40	30		EJEBHM
C/C(=N\c1c([O-])ccc2ccccc21)c1cc2ccccc2oc1=O	ZINC000005371062	563528442	/nfs/dbraw/zinc/52/84/42/563528442.db2.gz	ZHRYYCICYNDBMY-LPYMAVHISA-N	-1	3	329.355	4.793	40	30		EJEBHM
Cc1cc(Cl)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-]	ZINC000005960010	563556232	/nfs/dbraw/zinc/55/62/32/563556232.db2.gz	SUCFRPGJGISUMV-KEBDBYFISA-N	-1	3	330.815	4.699	40	30		EJEBHM
O=C1Nc2ccccc2Oc2ccc(/N=C/c3ccccc3[O-])cc21	ZINC000000243595	563996668	/nfs/dbraw/zinc/99/66/68/563996668.db2.gz	KMGRWHBJEUQIKY-CIAFOILYSA-N	-1	3	330.343	4.501	40	30		EJEBHM
[O-]c1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1	ZINC000408851890	564007578	/nfs/dbraw/zinc/00/75/78/564007578.db2.gz	BDOPVFXUBDFZRB-UNOMPAQXSA-N	-1	3	341.208	4.696	40	30		EJEBHM
COc1cc(-c2nc3ccccn3c2/N=C/c2cccs2)ccc1[O-]	ZINC000408974240	564008485	/nfs/dbraw/zinc/00/84/85/564008485.db2.gz	XVHCWIFTARMZMJ-UDWIEESQSA-N	-1	3	349.415	4.528	40	30		EJEBHM
CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc([O-])cc2)cc1OC	ZINC000409380586	564011986	/nfs/dbraw/zinc/01/19/86/564011986.db2.gz	NYEFSNRDCAFCSP-ZICWZVMQSA-N	-1	3	333.815	4.982	40	30		EJEBHM
[O-]c1ccccc1/C=N\N=c1c2ccccc2sc2ccccc21	ZINC000005048292	210374547	/nfs/dbraw/zinc/37/45/47/210374547.db2.gz	MQSAACDQNNFEQD-BKUYFWCQSA-N	-1	3	330.412	4.695	40	30		EJEBHM
C=CC(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846404	519299894	/nfs/dbraw/zinc/29/98/94/519299894.db2.gz	DSDGITVLZKIPAY-XGXHKWSGSA-N	-1	3	328.452	4.676	40	30		EJEBHM
COc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000000569785	522533015	/nfs/dbraw/zinc/53/30/15/522533015.db2.gz	JUPWPHOBUVBQLK-FYJGNVAPSA-N	-1	3	344.842	4.795	40	30		EJEBHM
COc1ccc(NC(=Nc2ccc(C)cc2)c2ccc([O-])cc2)cc1	ZINC000006275954	563563686	/nfs/dbraw/zinc/56/36/86/563563686.db2.gz	YJAOZKBRSBBNFO-UHFFFAOYSA-N	-1	3	332.403	4.900	40	30		EJEBHM
[O-]c1ccc(Br)cc1/C=N/c1cccc(C(F)(F)F)c1	ZINC000017023273	563828852	/nfs/dbraw/zinc/82/88/52/563828852.db2.gz	HZEUNSTWVBILMM-UFWORHAWSA-N	-1	3	344.130	4.924	40	30		EJEBHM
COc1cc(OC)c(/N=C\c2c([O-])ccc3ccccc32)cc1Cl	ZINC000095920276	563977732	/nfs/dbraw/zinc/97/77/32/563977732.db2.gz	GNCOPYUPLGOZEE-NHDPSOOVSA-N	-1	3	341.794	4.967	40	30		EJEBHM
O=[N+]([O-])c1cc(/N=C\c2c([O-])ccc3ccccc23)ccc1Cl	ZINC000100248272	563982469	/nfs/dbraw/zinc/98/24/69/563982469.db2.gz	FGFHERPSWDBIPZ-GRSHGNNSSA-N	-1	3	326.739	4.858	40	30		EJEBHM
COc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1	ZINC000000353474	563996907	/nfs/dbraw/zinc/99/69/07/563996907.db2.gz	ANFFXNDZWFXAFO-LPYMAVHISA-N	-1	3	344.370	4.960	40	30		EJEBHM
C=CCc1cc(/C=N/c2ccc3ncccc3c2)cc(OCC)c1[O-]	ZINC000059248357	564050527	/nfs/dbraw/zinc/05/05/27/564050527.db2.gz	VAJZHFPTOUQWHK-OEAKJJBVSA-N	-1	3	332.403	4.818	40	30		EJEBHM
CCOc1cccc(/C=N/c2cc(-c3ccccc3)ccc2[O-])c1O	ZINC000003033546	564154540	/nfs/dbraw/zinc/15/45/40/564154540.db2.gz	MMNVXYGPWRZFNY-HYARGMPZSA-N	-1	3	333.387	4.914	40	30		EJEBHM
Cc1cc(C)cc([C@@H](C)/N=C\c2cc(Br)ccc2[O-])c1	ZINC000104237675	219364478	/nfs/dbraw/zinc/36/44/78/219364478.db2.gz	SZIMQWAWDOGJCK-XTBHVRTMSA-N	-1	3	332.241	4.952	40	30		EJEBHM
C/C(=N\OCc1ccccc1)c1ccc(OCc2ccccc2)cc1[O-]	ZINC000005370990	563528383	/nfs/dbraw/zinc/52/83/83/563528383.db2.gz	HUDZOZDMSUGTKN-HAVVHWLPSA-N	-1	3	347.414	4.912	40	30		EJEBHM
[O-]c1ccc2ccccc2c1CN=Nc1nnc(Cl)c2ccccc21	ZINC000005669514	563544357	/nfs/dbraw/zinc/54/43/57/563544357.db2.gz	QFTMASWMTMVXNP-SRZZPIQSSA-N	-1	3	348.793	4.588	40	30		EJEBHM
Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408743197	563640227	/nfs/dbraw/zinc/64/02/27/563640227.db2.gz	ZPJWBVOBHLWQRH-HYARGMPZSA-N	-1	3	333.435	4.616	40	30		EJEBHM
CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2[O-])cc1OC	ZINC000409379857	564011971	/nfs/dbraw/zinc/01/19/71/564011971.db2.gz	ADXCTKZSZDBZLS-OEKFUPINSA-N	-1	3	333.815	4.982	40	30		EJEBHM
CC1(C)CC(=O)C2=C(Nc3ccccc3)[N-]c3ccccc3N=C2C1	ZINC000007499289	564015569	/nfs/dbraw/zinc/01/55/69/564015569.db2.gz	NIBNTNSNQOZONO-UHFFFAOYSA-N	-1	3	331.419	4.897	40	30		EJEBHM
C=CCc1cc(/C=N/c2ccc(OC)c(Cl)c2)cc(OCC)c1[O-]	ZINC000059248675	564050559	/nfs/dbraw/zinc/05/05/59/564050559.db2.gz	IUKXURABIHOKGS-CIAFOILYSA-N	-1	3	345.826	4.932	40	30		EJEBHM
CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([O-])cc3)c2C)cc1	ZINC000144202409	564130056	/nfs/dbraw/zinc/13/00/56/564130056.db2.gz	AUBSIZSXRKZKKP-HYARGMPZSA-N	-1	3	334.419	4.949	40	30		EJEBHM
CCCCCCCCCCc1c(C)nc(N2CCC(C)CC2)[n-]c1=O	ZINC000102241490	219192371	/nfs/dbraw/zinc/19/23/71/219192371.db2.gz	GSRZSVBVKYEYQL-UHFFFAOYSA-N	-1	3	347.547	4.998	40	30		EJEBHM
[O-]c1cc(O)ccc1C=NNc1c(Cl)cc(Cl)cc1Cl	ZINC000004837988	210293793	/nfs/dbraw/zinc/29/37/93/210293793.db2.gz	OEUWVFXGKLSLJI-UBKPWBPPSA-N	-1	3	331.586	4.504	40	30		EJEBHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000011798116	520644584	/nfs/dbraw/zinc/64/45/84/520644584.db2.gz	GCIUSDBJTTXWJO-DJKKODMXSA-N	-1	3	340.206	4.779	40	30		EJEBHM
N#C[C@H]1c2ccccc2O[C@H](c2ccccc2[O-])N1c1ccccc1	ZINC000005495445	563534946	/nfs/dbraw/zinc/53/49/46/563534946.db2.gz	NGSLQPUXZJMKEY-GHTZIAJQSA-N	-1	3	328.371	4.555	40	30		EJEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccccc21	ZINC000408742688	563639980	/nfs/dbraw/zinc/63/99/80/563639980.db2.gz	XVVHPSGMGNNYFA-KWJZBXMYSA-N	-1	3	327.387	4.581	40	30		EJEBHM
CCOc1cc(C=NNc2nc3ccccc3s2)cc(Cl)c1[O-]	ZINC000409032268	564009068	/nfs/dbraw/zinc/00/90/68/564009068.db2.gz	BZDAVQVUVGHWOR-GIJQJNRQSA-N	-1	3	347.827	4.500	40	30		EJEBHM
CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Cl)c1[O-]	ZINC000409032268	564009069	/nfs/dbraw/zinc/00/90/69/564009069.db2.gz	BZDAVQVUVGHWOR-GIJQJNRQSA-N	-1	3	347.827	4.500	40	30		EJEBHM
[O-]c1ccccc1/C=N/c1c(-c2ccco2)nc2ccc(Cl)cn21	ZINC000059446049	564050619	/nfs/dbraw/zinc/05/06/19/564050619.db2.gz	QGANMKJAMJWPIQ-KEBDBYFISA-N	-1	3	337.766	4.704	40	30		EJEBHM
O=[N+]([O-])c1cc(/N=C/c2ccc3ccccc3c2[O-])ccc1Cl	ZINC000032101633	202221416	/nfs/dbraw/zinc/22/14/16/202221416.db2.gz	IAWIAVHYVPSUPT-VXLYETTFSA-N	-1	3	326.739	4.858	40	30		EJEBHM
N#C[C@@H]1c2ccccc2O[C@H](c2ccccc2[O-])N1c1ccccc1	ZINC000005495444	563535024	/nfs/dbraw/zinc/53/50/24/563535024.db2.gz	NGSLQPUXZJMKEY-WIYYLYMNSA-N	-1	3	328.371	4.555	40	30		EJEBHM
COc1ccc(C(=NNc2ccccc2)c2ccc(C)cc2)c([O-])c1	ZINC000005793920	563550417	/nfs/dbraw/zinc/55/04/17/563550417.db2.gz	GWIINPZENXDOFQ-XTQSDGFTSA-N	-1	3	332.403	4.574	40	30		EJEBHM
Cc1cc(/C=N/c2cccc([O-])c2)c(C)n1-c1ccc(N(C)C)cc1	ZINC000408739813	563639567	/nfs/dbraw/zinc/63/95/67/563639567.db2.gz	FWMWLNRKSBOWJZ-HYARGMPZSA-N	-1	3	333.435	4.616	40	30		EJEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000408743169	563640359	/nfs/dbraw/zinc/64/03/59/563640359.db2.gz	ZNWYBONXOMTYGV-DGURAOSJSA-N	-1	3	346.217	4.735	40	30		EJEBHM
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1ccccc1Cl	ZINC000409074855	564009413	/nfs/dbraw/zinc/00/94/13/564009413.db2.gz	NFRITOMNKJBELW-CIAFOILYSA-N	-1	3	345.826	4.854	40	30		EJEBHM
[O-]c1cccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)c1	ZINC000059483126	564050849	/nfs/dbraw/zinc/05/08/49/564050849.db2.gz	MFRUIIKYHJYPIA-HZHRSRAPSA-N	-1	3	339.398	4.996	40	30		EJEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCc1cccc2ccccc21	ZINC000100250246	564066192	/nfs/dbraw/zinc/06/61/92/564066192.db2.gz	QRTXYVLSSIMLJQ-NHDPSOOVSA-N	-1	3	341.794	4.889	40	30		EJEBHM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1cccc2ccccc21	ZINC000104238746	219364487	/nfs/dbraw/zinc/36/44/87/219364487.db2.gz	HMQHMUNOXCYSCR-WQRHYEAKSA-N	-1	3	348.789	4.624	40	30		EJEBHM
C=CC(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846402	519300679	/nfs/dbraw/zinc/30/06/79/519300679.db2.gz	DSDGITVLZKIPAY-QXCFHYIPSA-N	-1	3	328.452	4.676	40	30		EJEBHM
CC(=O)c1cccc(N=Cc2cc(Cc3ccccc3)ccc2[O-])c1	ZINC000006357100	563565898	/nfs/dbraw/zinc/56/58/98/563565898.db2.gz	MRONNNKZILTGRT-HZHRSRAPSA-N	-1	3	329.399	4.936	40	30		EJEBHM
[O-]c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1	ZINC000408718186	563614518	/nfs/dbraw/zinc/61/45/18/563614518.db2.gz	OYGVUFJRBLRCQP-HYARGMPZSA-N	-1	3	341.370	4.860	40	30		EJEBHM
CCOc1cc(Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000006439482	564014806	/nfs/dbraw/zinc/01/48/06/564014806.db2.gz	YRPAMVZGMDAIOO-SRZZPIQSSA-N	-1	3	333.859	4.832	40	30		EJEBHM
O=[N+]([O-])c1cc(N=Cc2ccc3ccccc3c2[O-])ccc1Cl	ZINC000260840584	564052654	/nfs/dbraw/zinc/05/26/54/564052654.db2.gz	IAWIAVHYVPSUPT-UHFFFAOYSA-N	-1	3	326.739	4.858	40	30		EJEBHM
CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000103864856	219327570	/nfs/dbraw/zinc/32/75/70/219327570.db2.gz	GCIUSDBJTTXWJO-OCKHKDLRSA-N	-1	3	340.206	4.779	40	30		EJEBHM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1ccc2ccccc2c1	ZINC000104238770	219363861	/nfs/dbraw/zinc/36/38/61/219363861.db2.gz	HQLUPMGGWIMVPR-WQRHYEAKSA-N	-1	3	348.789	4.624	40	30		EJEBHM
C=CCc1cc(/C=N\[O-])cc(OCC)c1OCc1ccc(Cl)cc1	ZINC000216942934	241225093	/nfs/dbraw/zinc/22/50/93/241225093.db2.gz	VLQLXEIQPWUHSU-MTJSOVHGSA-N	-1	3	345.826	4.854	40	30		EJEBHM
Cc1ccc2[nH]c(=NN=Cc3c([O-])ccc4ccccc43)sc2c1	ZINC000226096139	242089418	/nfs/dbraw/zinc/08/94/18/242089418.db2.gz	YLUMZQCIHVQIDW-RGVLZGJSSA-N	-1	3	333.416	4.910	40	30		EJEBHM
O=C(COc1ccccc1)N([O-])c1ccc(/C=C\c2ccccc2)cc1	ZINC000004995038	210353714	/nfs/dbraw/zinc/35/37/14/210353714.db2.gz	ZQKKCHBZCHWCIC-QXMHVHEDSA-N	-1	3	345.398	4.658	40	30		EJEBHM
CCOC(=O)c1c(/N=C/c2ccccc2[O-])sc2c1CC[C@@H](C)C2	ZINC000000411691	563308327	/nfs/dbraw/zinc/30/83/27/563308327.db2.gz	PXJLMWOYDOCIEO-ZICWZVMQSA-N	-1	3	343.448	4.506	40	30		EJEBHM
Cc1ccc(/N=C/c2cc(C)cc(/C=N\c3ccc(C)cn3)c2[O-])nc1	ZINC000013773995	564020677	/nfs/dbraw/zinc/02/06/77/564020677.db2.gz	DHKDPKHYGWLHPJ-UNFIKANMSA-N	-1	3	344.418	4.609	40	30		EJEBHM
C=CCc1cc(/C=N/c2ccccc2SC)cc(OCC)c1[O-]	ZINC000059678318	564050982	/nfs/dbraw/zinc/05/09/82/564050982.db2.gz	DLHCDNFNUNIOHS-DEDYPNTBSA-N	-1	3	327.449	4.992	40	30		EJEBHM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1ccc2ccccc2c1	ZINC000104238776	219364827	/nfs/dbraw/zinc/36/48/27/219364827.db2.gz	HQLUPMGGWIMVPR-WOJGMQOQSA-N	-1	3	348.789	4.624	40	30		EJEBHM
[O-]c1ccc2ccccc2c1/C=N\N=C/c1c(O)ccc2ccccc21	ZINC000012360335	211356025	/nfs/dbraw/zinc/35/60/25/211356025.db2.gz	SYRBOMODLUADBZ-GACBQCINSA-N	-1	3	340.382	4.857	40	30		EJEBHM
C=CC(C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)=C([O-])c1ccccc1	ZINC000003846403	519299840	/nfs/dbraw/zinc/29/98/40/519299840.db2.gz	DSDGITVLZKIPAY-GDAAHCPNSA-N	-1	3	328.452	4.676	40	30		EJEBHM
[O-]c1ccc(Br)cc1/C=N/c1ccccc1N1CCCC1	ZINC000000569750	563349028	/nfs/dbraw/zinc/34/90/28/563349028.db2.gz	YYKOWEUIOAITQM-XDHOZWIPSA-N	-1	3	345.240	4.506	40	30		EJEBHM
Cc1ccc(/N=C/c2c([O-])ccc3cc(Br)ccc32)nc1	ZINC000005337688	563527235	/nfs/dbraw/zinc/52/72/35/563527235.db2.gz	LVQLRNSPVZNOGI-KEBDBYFISA-N	-1	3	341.208	4.762	40	30		EJEBHM
Cc1cccc(/N=C/c2c([O-])ccc3cc(Br)ccc32)n1	ZINC000005740599	563548496	/nfs/dbraw/zinc/54/84/96/563548496.db2.gz	KVVRWQWBLNJPHD-VXLYETTFSA-N	-1	3	341.208	4.762	40	30		EJEBHM
[O-]c1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1	ZINC000408737445	563635286	/nfs/dbraw/zinc/63/52/86/563635286.db2.gz	QXYYROLPVMCBSF-XQNSMLJCSA-N	-1	3	339.398	4.996	40	30		EJEBHM
[O-]c1ccc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000017068727	563832721	/nfs/dbraw/zinc/83/27/21/563832721.db2.gz	QCPVYKCNLATNDI-VXLYETTFSA-N	-1	3	334.257	4.542	40	30		EJEBHM
Cc1cc(C)cc([C@@H](C)/N=C/c2cc(Br)ccc2[O-])c1	ZINC000017141951	563838432	/nfs/dbraw/zinc/83/84/32/563838432.db2.gz	SZIMQWAWDOGJCK-BUESGFEBSA-N	-1	3	332.241	4.952	40	30		EJEBHM
O=C(COc1ccccc1)N([O-])c1ccc(/C=C/c2ccccc2)cc1	ZINC000001703983	563987600	/nfs/dbraw/zinc/98/76/00/563987600.db2.gz	ZQKKCHBZCHWCIC-VAWYXSNFSA-N	-1	3	345.398	4.658	40	30		EJEBHM
[O-]c1ccc2ccccc2c1/C=N/N=C1\C[C@H](c2ccccc2)N=N1	ZINC000024543267	564078828	/nfs/dbraw/zinc/07/88/28/564078828.db2.gz	UWFRVXQVAIHVLF-XVIQTJBWSA-N	-1	3	328.375	4.875	40	30		EJEBHM
Cc1cc(/C=N/c2ccccc2[O-])c(C)n1-c1ccc(N(C)C)cc1	ZINC000001091609	564129740	/nfs/dbraw/zinc/12/97/40/564129740.db2.gz	TWOYPXMPXCZZAM-HYARGMPZSA-N	-1	3	333.435	4.616	40	30		EJEBHM
COC(=O)c1ccc(/C=N/c2cc(-c3ccccc3)ccc2[O-])cc1	ZINC000003033578	564154554	/nfs/dbraw/zinc/15/45/54/564154554.db2.gz	HRACOVMOLJGYST-HYARGMPZSA-N	-1	3	331.371	4.596	40	30		EJEBHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1Cl	ZINC000100985580	204000672	/nfs/dbraw/zinc/00/06/72/204000672.db2.gz	WTNQGRZQCWFAFQ-DJKKODMXSA-N	-1	3	340.206	4.779	40	30		EJEBHM
O=c1[nH]c2cc(Cl)ccc2nc1C=C([O-])c1cccc2ccccc21	ZINC000104238751	204101835	/nfs/dbraw/zinc/10/18/35/204101835.db2.gz	HMQHMUNOXCYSCR-WOJGMQOQSA-N	-1	3	348.789	4.624	40	30		EJEBHM
[O-]c1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1	ZINC000059461329	257850101	/nfs/dbraw/zinc/85/01/01/257850101.db2.gz	PEXABUKWOVYAIC-SGNWVPJISA-N	-1	3	338.388	4.583	40	30		EJEBHM
COc1cc(OC)c(/N=C/c2c([O-])ccc3ccccc32)cc1Cl	ZINC000002160349	563424722	/nfs/dbraw/zinc/42/47/22/563424722.db2.gz	GNCOPYUPLGOZEE-SRZZPIQSSA-N	-1	3	341.794	4.967	40	30		EJEBHM
CCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)cc2[O-])cc1	ZINC000016609891	563817776	/nfs/dbraw/zinc/81/77/76/563817776.db2.gz	CMSWFQMYNJKTJZ-KEBDBYFISA-N	-1	3	330.815	4.762	40	30		EJEBHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1cc(C)cc(C)c1	ZINC000408935309	564008149	/nfs/dbraw/zinc/00/81/49/564008149.db2.gz	CRMWWGQAHGEEPL-KEBDBYFISA-N	-1	3	333.815	4.743	40	30		EJEBHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000005901904	564014308	/nfs/dbraw/zinc/01/43/08/564014308.db2.gz	VGGAFJPLVRJOMV-LLVKDONJSA-N	-1	3	328.437	4.616	40	30		EJEBHM
CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccccc1Cl	ZINC000011953383	211274902	/nfs/dbraw/zinc/27/49/02/211274902.db2.gz	WTNQGRZQCWFAFQ-OCKHKDLRSA-N	-1	3	340.206	4.779	40	30		EJEBHM
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1ccc(C)cc1	ZINC000409074003	257881039	/nfs/dbraw/zinc/88/10/39/257881039.db2.gz	PDGXRNJXGDKKTM-FYJGNVAPSA-N	-1	3	325.408	4.509	40	30		EJEBHM
CCOC(=O)c1c(/N=C/c2ccccc2[O-])sc2c1CC[C@H](C)C2	ZINC000000411689	563308315	/nfs/dbraw/zinc/30/83/15/563308315.db2.gz	PXJLMWOYDOCIEO-DQAKUKQTSA-N	-1	3	343.448	4.506	40	30		EJEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000408743167	563639948	/nfs/dbraw/zinc/63/99/48/563639948.db2.gz	ZNWYBONXOMTYGV-ANKPHQHTSA-N	-1	3	346.217	4.735	40	30		EJEBHM
Cc1ccccc1C(=O)Nc1cccc(/N=C/c2ccccc2[O-])c1	ZINC000000223888	563829739	/nfs/dbraw/zinc/82/97/39/563829739.db2.gz	MDRXEDGZSKFKEF-HYARGMPZSA-N	-1	3	330.387	4.704	40	30		EJEBHM
O=c1oc2ccccc2cc1-c1cccc(/N=C/c2ccccc2[O-])c1	ZINC000000063381	563996568	/nfs/dbraw/zinc/99/65/68/563996568.db2.gz	JICKFDPDLCENSI-OEAKJJBVSA-N	-1	3	341.366	4.916	40	30		EJEBHM
COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-]	ZINC000408935213	564008118	/nfs/dbraw/zinc/00/81/18/564008118.db2.gz	MZSFWAAFLCQRJX-ZBKNUEDVSA-N	-1	3	344.720	4.519	40	30		EJEBHM
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1cccc2ccccc21	ZINC000409067667	564009343	/nfs/dbraw/zinc/00/93/43/564009343.db2.gz	PFPMQTNPNRRQMI-OEAKJJBVSA-N	-1	3	347.414	4.964	40	30		EJEBHM
CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1cccc(Cl)c1	ZINC000011864193	564018013	/nfs/dbraw/zinc/01/80/13/564018013.db2.gz	ZCMLUJSJPGYOIV-DJKKODMXSA-N	-1	3	340.206	4.779	40	30		EJEBHM
CCCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000108458642	564028275	/nfs/dbraw/zinc/02/82/75/564028275.db2.gz	YOULGJXNKVUUNJ-UHFFFAOYSA-N	-1	3	338.300	4.632	40	30		EJEBHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccco3)sc2C1	ZINC000005902799	564056861	/nfs/dbraw/zinc/05/68/61/564056861.db2.gz	VGGAFJPLVRJOMV-NSHDSACASA-N	-1	3	328.437	4.616	40	30		EJEBHM
CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000006396834	564129831	/nfs/dbraw/zinc/12/98/31/564129831.db2.gz	DOHLOBDCARNDAP-UDWIEESQSA-N	-1	3	330.815	4.925	40	30		EJEBHM
Cc1cc(/C=N\[O-])cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1	ZINC000256053469	564134738	/nfs/dbraw/zinc/13/47/38/564134738.db2.gz	ROKQIHNXGIRJFF-MTJSOVHGSA-N	-1	3	325.408	4.628	40	30		EJEBHM
[O-]c1ccccc1/C=N/N=c1c2ccccc2sc2ccccc21	ZINC000016922721	563826002	/nfs/dbraw/zinc/82/60/02/563826002.db2.gz	MQSAACDQNNFEQD-FYJGNVAPSA-N	-1	3	330.412	4.695	40	30		EJEBHM
CCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000100930222	563982825	/nfs/dbraw/zinc/98/28/25/563982825.db2.gz	JPGNCOWOSJWDEJ-QZQOTICOSA-N	-1	3	327.424	4.968	40	30		EJEBHM
CCCCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000100930222	563982826	/nfs/dbraw/zinc/98/28/26/563982826.db2.gz	JPGNCOWOSJWDEJ-QZQOTICOSA-N	-1	3	327.424	4.968	40	30		EJEBHM
CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([O-])cc2)cc1OC	ZINC000409380585	564011997	/nfs/dbraw/zinc/01/19/97/564011997.db2.gz	NYEFSNRDCAFCSP-DQAKUKQTSA-N	-1	3	333.815	4.982	40	30		EJEBHM
Cc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-]	ZINC000006500867	564014860	/nfs/dbraw/zinc/01/48/60/564014860.db2.gz	KMQOTMCKCKOKEC-KEBDBYFISA-N	-1	3	348.284	4.851	40	30		EJEBHM
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1ccc(Cl)cc1	ZINC000253576134	564053647	/nfs/dbraw/zinc/05/36/47/564053647.db2.gz	VLQLXEIQPWUHSU-CIAFOILYSA-N	-1	3	345.826	4.854	40	30		EJEBHM