smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(Cl)cc3)cc2oc1=O	1810893	MOMBWFFXYMHWQB-GZTJUZNOSA-N	466.877	3.725	50	40	JHGB	
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)NNC(=S)Nc1ccc(OC(F)(F)F)cc1	2561947	PTOLWPQECPHOCJ-UHFFFAOYSA-N	493.496	3.515	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	8400368	HGYJRPFJGMCNOW-VFLNYLIXSA-N	499.926	3.712	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1	12853093	PHRAKHYPKZFJMU-DEOSSOPVSA-N	470.529	3.775	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)ccc1O	20240362	FWUNERHQVGXFCL-TURZUDJPSA-N	458.562	3.877	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OCC(N)=O)c3)o2)cc1	33662218	ATRDAGPILQQPDD-FDVSRXAVSA-N	486.528	3.894	50	40	JHGB	
COC(=O)c1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	107675009	WFRNKXZYZTZCGY-YUMHPJSZSA-N	499.633	3.872	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	408611094	PYAYWVFNXAJFPF-MUFRIFMGSA-N	463.509	3.878	50	40	JHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(OCC#N)cc3)cc2)S(C)(=O)=O)cc1	409027659	NWFXDGGJQKDJAI-WPWMEQJKSA-N	476.558	3.628	50	40	JHGB	
Cc1cccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1	409344525	JPZBHKWQRABPKV-UHFFFAOYSA-N	490.629	3.959	50	40	JHGB	
O=C(Cc1n[nH]c(=O)c2ccccc12)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	1406990	FBVHGABQAJMOIS-FSJBWODESA-N	451.280	3.638	50	40	JHGB	
COc1ccc(OC)c(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1	6166535	UAHFIGKBEFUNEC-ZRGSRPPYSA-N	462.531	3.601	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	8780771	XVMJYONUNXKWTI-XKZIYDEJSA-N	472.299	3.765	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@@H]2C1	8816919	MHNGKVQLUWEUOZ-NFBKMPQASA-N	453.502	3.730	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1OC	9088330	XRDDJDQOOWJPIK-GOSISDBHSA-N	467.547	3.813	50	40	JHGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1	9346098	ZSYGZOBHKLQIMO-UMSHPIDHSA-N	458.518	3.614	50	40	JHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1ccc(Cl)cc1	22938754	UQRQKVTWYXJOGP-UHFFFAOYSA-N	491.035	3.827	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)c(=O)c1C#N	408603505	RKKLEMWQCBZRBK-ULPWCQAASA-N	496.926	3.697	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)c1	408868473	MRBPQJXXZVCLHV-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1C	408976706	BWRNSBLQHPUYCM-OINMWHHXSA-N	465.575	3.872	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccc(F)cc2)cc1	409122376	XJCNNJWPKSXOJO-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	2176246	ZUMDTJLFNDYYJB-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1	2355048	DJZLKIQIUMWXFR-LFIBNONCSA-N	463.943	3.532	50	40	JHGB	
O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)NNC(=O)c1cccc([N+](=O)[O-])c1	14077885	QRUYHZHIDGAQLC-UHFFFAOYSA-N	466.494	3.515	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926239	FYVZZJJDFRWIGY-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC	20086273	YCNUFGVDKRVMMG-GOSISDBHSA-N	482.334	3.926	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	20233425	WIMAJMVIAXTRTK-JVWAILMASA-N	496.976	3.972	50	40	JHGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)cc(C)c1Cl	30937380	OJIRRDGQJQYCJL-DNTJNYDQSA-N	458.683	3.796	50	40	JHGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	33028291	AZYLBSWIJOBSOH-XMMPIXPASA-N	497.580	3.953	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)c1	107621933	IVRGDXWGEZYCRM-FMCGGJTJSA-N	467.507	3.934	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)cc1	408726905	WKQZKZDNPDYGTA-JYRVWZFOSA-N	464.259	3.950	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)O	409049012	VNBQUVDQNWBAFL-NTUHNPAUSA-N	463.259	3.996	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1C#N	409067842	ZVCPBAAAGOZHIR-KKMKTNMSSA-N	465.941	3.998	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1O	409138659	GEKLTEHKVNDAFR-PCLIKHOPSA-N	467.547	3.688	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1O	409139913	GHDAZNUQAGZRGI-JFLMPSFJSA-N	495.601	3.667	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1	19948561	DGTIHBZDQVSCAK-PCLIKHOPSA-N	451.548	3.861	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2cc(C)cc(C)c2)cc1OC	19956319	RSPXSUPEYBBQQS-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCN1c2ccccc2C2=C([C@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558383	JUQBLOMWLJIHQB-QGZVFWFLSA-N	458.337	3.795	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc(I)c2)ccc1OC(=O)c1ccco1	28632484	MDUYBUUWNUEGGZ-UUYOSTAYSA-N	490.253	3.876	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1[N+](=O)[O-]	30902186	CZVQSVWTXHVCEH-MLZDUOQFSA-N	467.309	3.815	50	40	JHGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3ccc(O)c(OC)c3)o2)cc1C	36048082	FIZWIBQQJLGGRU-CFRMEGHHSA-N	470.551	3.519	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1	58915492	LKLVLVOSSQCGIA-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
CCO[Si](CCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12)(OCC)OCC	195751423	AWGTUBDCLHXASR-UHFFFAOYSA-N	454.665	3.623	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408785326	WJAOOIASAMYJCZ-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC	408927246	YVYHNKZTHZKLFR-WLXKGNRNSA-N	491.610	3.578	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	409149904	VCDKJASTDCZUDI-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409159603	OBODETZJRPSATG-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
CC[C@H](c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1)N(C)C	3551807	ZJFPXYXPJZBXQV-LJQANCHMSA-N	487.029	3.546	50	40	JHGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21	8836367	LZFORCKFPBHGBO-VXPUYCOJSA-N	463.335	3.886	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1	15357008	WIQXRGCQBQBUGX-GZTJUZNOSA-N	459.980	3.701	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)cc1)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218162	ZPUOWJCULZXFHI-AFUMVMLFSA-N	461.319	3.971	50	40	JHGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O)c1ccccc1Cl	101027834	CXFODPCAKXMXMP-OOAXWGSJSA-N	465.918	3.533	50	40	JHGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)Cc2nc3ccccc3n2C)cc1	104755999	ZKMAWQJJPXRFJX-JVWAILMASA-N	456.502	3.632	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12	408859855	ZZMYKYUYYNYWOO-JAMLUQCHSA-N	471.966	3.805	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1O	408921973	MYCOMIVAKQVHIJ-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccc1OCc1cccc(Br)c1	994127	YYKZBTUULHTOFS-ZMOGYAJESA-N	464.323	3.923	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1nn(Cc2ccc(Br)cc2)cc1Br	1086957	YAJJVFULHFQQAM-ODCIPOBUSA-N	494.143	3.632	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)cc1	1326669	CGXKEMNZHIBGSP-BEFAXECRSA-N	487.438	3.655	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1CSc1ccccc1	2207964	IFXSTUPFTSZQQM-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)=C\c1ccccc1	8820650	WNUVCATZUSXATJ-LDFNIPPCSA-N	499.530	3.794	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c2ccccc12	9260560	UGECVJWNCGPWCE-OGCGYOKDSA-N	461.518	3.872	50	40	JHGB	
CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	9305950	PNNOQIVQGOEHKZ-ZLLCIIDXSA-N	498.539	3.771	50	40	JHGB	
C/C(CC(=O)NC1CCCC1)=N\NC(=O)COc1cc(C)c(Br)cc1Br	14921992	BDHWNKPDCUMORJ-WSDLNYQXSA-N	489.208	3.840	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1	33690550	BEKOTBCIPGVJIF-XYGWBWBKSA-N	481.530	3.769	50	40	JHGB	
O=C(CCc1ccccc1)Nc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408688636	WKEOBGBIYFXUMF-QYRJXPSASA-N	483.362	3.767	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408749230	LVBJCWSJXADOGA-BUVRLJJBSA-N	483.502	3.834	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408827698	GCNGOAXEEXTRFZ-SZXQPVLSSA-N	499.564	3.969	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O)c(OC)c3)cc2c1	409186604	FLJYQWWRIAFLGB-FBHDLOMBSA-N	480.258	3.914	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1OC	409317707	RKGFMMNMCGPHGU-OYKKKHCWSA-N	474.922	3.889	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])N/N=C/c1cc(Cl)ccc1[N+](=O)[O-]	1691842	OSMCYAOWCFFTCX-CZGKVYIXSA-N	495.279	3.581	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	8820540	MJWWVEDEBIJNSZ-DURWOYGOSA-N	496.570	3.594	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1I	9289348	LLBUIGYHDIQSSS-VXLYETTFSA-N	473.108	3.755	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O	13135050	GQJUVKUHAHJDHR-KRWDZBQOSA-N	468.362	3.803	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccccc2)cc1	58919050	GNKPVRUVWUXTDF-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1S(=O)(=O)c1ccccc1	59417047	CLADLWFBOKOXKF-OEAKJJBVSA-N	450.545	3.638	50	40	JHGB	
COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(Cl)c3)C(=O)C3=C2CC=CC3)cc1	101181493	IMQNTVPIRDTQFQ-HFTWOUSFSA-N	497.960	3.526	50	40	JHGB	
COc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1	408685746	QFKLATHUKMFULZ-PJBUMPDVSA-N	458.308	3.997	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(F)cc1	408867919	MSTPPKONJGCNLE-VGOFMYFVSA-N	466.250	3.800	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OC(C)C	409245166	OIVUWSQCUGUTRF-ZVBGSRNCSA-N	467.389	3.894	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1	705543	HLJUUWGGMWEMEN-YDZHTSKRSA-N	454.379	3.853	50	40	JHGB	
O=C(COc1ccccc1Cl)N/N=C1\C(=O)Nc2cc(Br)c(Br)cc21	793797	WPJZLALJLFAFSC-UHFFFAOYSA-N	487.535	3.716	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(S(=O)(=O)N(CC)CC)ccc1-2	971791	VZNAIPBYNDYJOE-UHFFFAOYSA-N	498.630	3.577	50	40	JHGB	
Cc1cc(I)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O	9289449	HJHVXBSCYFBMLK-DJKKODMXSA-N	473.108	3.761	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	16479435	XZCOBDSRVUXXFO-WPWMEQJKSA-N	473.554	3.887	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccc(F)cc2)cc1	35077706	PKVKEKGUFPDVQP-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1OC	46085079	YMCANCLKDUKGMI-COOPMVRXSA-N	479.920	3.803	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1	58915227	JLISTGZBCCJGPY-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2Sc3c(sc(=O)n3Cc3ccccc3)[C@@H](c3ccccc3O)[C@@H]12	170621200	TZTCJMPXWLQKTC-PPDWKBHVSA-N	491.590	3.852	50	40	JHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1	245266631	KJZQVDAJUGJRCV-ZNOWBECESA-N	451.517	3.761	50	40	JHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4nc(-c5ccc(Cl)cc5)cs4)[C@@H]13)[C@H]2Br	408685694	PZOSGMZWGQHKDC-DKJTXKKOSA-N	453.745	3.973	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1	408864303	VIWLOBNZFIQWAA-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1	409063113	HCQRBAAIOFCMAF-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c1	409261905	FGWPKTZEZSRAIN-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC(C)C	1783712	XDRIUWLBQJGBDP-ZXGJNYTGSA-N	468.579	3.844	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)cc2)n1	9440758	WMDFXPIQRTZGNY-WGOQTCKBSA-N	461.591	3.986	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20060106	HVVQYYVFEWTTMG-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(Cl)cc2)cc1	59437054	NJYPBPWYRZQTDJ-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccc(OC)cc2)c2ccccc21	100175635	ULGVRSIJACEEPS-SIUXDGQXSA-N	493.608	3.773	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCO)C(=O)C(C#N)=C2C)c(C)c1	100951227	JRRNPMUYZQIACB-BUVRLJJBSA-N	482.540	3.831	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408818212	NGOZLFFWJPHADM-YVLHZVERSA-N	473.323	3.623	50	40	JHGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c1O	408876908	QYVPCULLAOEJJO-VIZOYTHASA-N	461.312	3.794	50	40	JHGB	
COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1COc1ccccc1C(N)=O	102381474	OAFCDSPSOCEMML-ZMFRSBBQSA-N	482.334	3.900	50	40	JHGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1C=C[C@@H]3[C@H]3[C@H](Br)[C@H](Br)[C@@H]31)C2	104291226	QLKUDAZHTILURQ-SVDIEPJPSA-N	499.247	3.637	50	40	JHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1Cn1cccn1	12276053	REQFAFDRHKXCFR-CJFMBICVSA-N	476.533	3.722	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	409247811	BMMUJBGDABKIAI-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	408774875	NPVJEQOBUXLXCE-WPWMEQJKSA-N	493.585	3.946	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	4209622	HUWPDYLLJICEQC-YZSQISJMSA-N	463.331	3.847	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@@H](C)C3)nc12	13806656	SIZQWQLEUZKCTJ-NDWLXSOOSA-N	455.562	3.505	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	408921421	HJFWXJKQLRJZPI-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC	9289467	VXJJICBYDBUUCI-MFKUBSTISA-N	463.446	3.524	50	40	JHGB	
COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1	20248094	QKYYHSICIKIXTF-DAFNUICNSA-N	485.382	3.772	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408963675	ABNVRPPFXIKHMK-PGGKNCGUSA-N	482.693	3.819	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Br)cc2)cc1	409143032	TWALKRKYIRBPRJ-YDZHTSKRSA-N	490.379	3.692	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(Br)cc1	408774549	WGXCHSYXMXEDEN-PXLXIMEGSA-N	466.401	3.879	50	40	JHGB	
C=CCOc1c(I)cc(C=C(C#N)C#N)cc1I	12436997	LKMJZSMJEPZBLG-UHFFFAOYSA-N	462.028	3.891	50	40	JHGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	8721609	BSQXHZRBQXCFSO-MWMRXLLSSA-N	473.554	3.996	50	40	JHGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1	9292358	STBOPYCXZSRNKY-DKGMDFAASA-N	485.327	3.996	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	20233176	KGDVJIZPRDQBRD-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc(OCC)c1OCC	20286343	JFMUWEQMJXICAU-JCMHNJIXSA-N	484.528	3.953	50	40	JHGB	
O=C(CCNC(=O)c1ccsc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	21871206	KNJSMELCMLOVJN-UHFFFAOYSA-N	457.939	3.562	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408743350	SHNJAYAXERSLCO-GDNBJRDFSA-N	476.270	3.779	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408747101	ZNVAVFHWVNQTPF-DHDCSXOGSA-N	489.322	3.954	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OCC#N	408748710	BUQGBETXCPDGDW-JVWAILMASA-N	494.345	3.746	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408784209	PHUOQCLJZOZGFE-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC(=O)OCC	408809078	HRATXUSQEGYOBF-HMAPJEAMSA-N	478.545	3.988	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408871550	YVBAFUDLNIUMDY-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	409251183	OSPKEKSULZNQDC-STBIYBPSSA-N	472.545	3.594	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1C	409259613	BJKPEPWIYDVADE-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	9067207	RGNJDPOTBZWDPG-GOTSBHOMSA-N	480.484	3.657	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O	9303943	BNPSWCDSEVKEEH-DTQAZKPQSA-N	452.898	3.508	50	40	JHGB	
CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)ccc1Cl	33891840	QCHPXQBIZZZZJR-SFQUDFHCSA-N	468.893	3.751	50	40	JHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915682	ACAFINGDSJDMKA-WSDLNYQXSA-N	493.383	3.577	50	40	JHGB	
N#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	83252415	RWUYOBYBAAYZJA-JXAWBTAJSA-N	451.324	3.607	50	40	JHGB	
CCO[Si](OCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	195872115	XJYMDGOGWVHLFW-UHFFFAOYSA-N	452.320	3.707	50	40	JHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1C	408587468	GECOVXIFXQLXHU-ZMOGYAJESA-N	450.451	3.561	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(C)cc1	408788654	FVKNENUCOFEFHE-CVKSISIWSA-N	469.538	3.797	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	408914363	WLEIPFNNHPPWHY-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C	409254471	IQAOBLVCRMBPFS-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1	1477807	XYJVZCTYEMOZNR-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	8843182	KLENVQQNMWCJNU-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
COc1cc(-n2c(NNC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc(OC)c1OC	12652100	IVPXVJXNOARZGB-UHFFFAOYSA-N	480.908	3.822	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1	19937047	KZKLDPLMFQSUME-KOEQRZSOSA-N	463.515	3.530	50	40	JHGB	
COc1cc(C(=O)N/N=c2\scc(-c3ccc(C)cc3)n2C(=O)CCl)cc(OC)c1OC	33527504	YOWALAAMJWSNBD-LVWGJNHUSA-N	475.954	3.676	50	40	JHGB	
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1	59444636	FTJFNILZFOJBQV-UHFFFAOYSA-N	480.428	3.975	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745809	VSDZROOTQRNDQA-DHDCSXOGSA-N	476.270	3.697	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OC(C)=O	408754752	IAWPQTXTWBNIQK-LSHDLFTRSA-N	491.367	3.892	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	408783421	LENIJHGYCQUPRY-LFVJCYFKSA-N	487.379	3.580	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OC)cc2OC)c(OC)c1	408881094	LWWVUGRJHDMANE-VIZOYTHASA-N	461.312	3.707	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2	409113539	GTJGETSIIHWSBB-ZXVVBBHZSA-N	493.585	3.886	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	409163833	YMOULWLGKVTVAA-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409268477	UHLMTTIYINXCGZ-OZHCYYCFSA-N	498.889	3.741	50	40	JHGB	
CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1	9634913	DTYQQHIQIRQDPJ-UHFFFAOYSA-N	494.960	3.538	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1	59922415	QXTGZIYHTCZEAR-JFLMPSFJSA-N	493.516	3.746	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)c(Cl)c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	110562426	KJZQVDAJUGJRCV-BOKPKCGUSA-N	451.517	3.761	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1	408606754	ATFZSTUEFVTAPI-WAOIHUCGSA-N	494.375	3.716	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1O	1083307	YLNJGISXQXGDHW-MFKUBSTISA-N	469.335	3.940	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)ccc1OCc1ccccc1	20207694	FBKMEHGQMMTYOX-WPWMEQJKSA-N	495.601	3.889	50	40	JHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3ccc(Br)cc3)cc12	33911182	YAPFBHJDXWUWSP-MSXFZWOLSA-N	472.339	3.955	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I	408815858	VINFJSNXMSAVNN-BOPFTXTBSA-N	472.282	3.535	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1C	408922007	NWHZYAYVLZGSCO-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409244447	CVHVSJAFTBIERR-MSXFZWOLSA-N	481.318	3.622	50	40	JHGB	
Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2-c2ccccc2)cc1	906749	KRCUFOADVFQGDJ-UHFFFAOYSA-N	486.601	3.670	50	40	JHGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc3ccccc3c2)cs1	2207275	SRKKTXVAYYWEJR-AQTBWJFISA-N	474.571	3.902	50	40	JHGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N1CCOCC1	2703678	QATOXQHCWLDTHH-SDNWHVSQSA-N	471.300	3.559	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2)cc1OCC	8452374	JOPMSPCAFYHKIT-WYMPLXKRSA-N	493.354	3.627	50	40	JHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)cc3)ccc12	8823908	LLPMLGNWYLXRKB-UHFFFAOYSA-N	473.441	3.663	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc2ccccc2c1	9012667	XTMFLWXMVDGBQE-CVKSISIWSA-N	484.545	3.832	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1O	9667609	LEIKDQDTMVTNEH-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	9912290	XYKGRLDEASEONX-UHFFFAOYSA-N	496.366	3.991	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc(OCC)c1OCC	14289322	XXGVTHSUBPCLOR-UHFFFAOYSA-N	452.511	3.656	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)C2CCCCC2)c(C)c1	35085665	LURUCPFOYWJZQK-YSMPRRRNSA-N	485.606	3.784	50	40	JHGB	
Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)cc1C	408643588	AVBSJIVXWQYFDZ-UHFFFAOYSA-N	489.528	3.819	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1	408757312	YJPBYRJRHJVKKJ-MDWZMJQESA-N	464.259	3.863	50	40	JHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	408961837	OKVRQLSXBAZSBW-STBIYBPSSA-N	483.572	3.672	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1	409262504	FLFYTLUIXMODAN-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)c1O	903929	TVEWOAMVEWCKQD-UFFVCSGVSA-N	468.291	3.541	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c(Br)c1	1051867	WWWAIULZAZTJBT-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
COCCn1c(C)cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1C	2643868	KLNOTDQVTLBESK-MFKUBSTISA-N	488.997	3.969	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1	8819714	BJNSGIZMPDSOFK-MNDPQUGUSA-N	453.589	3.909	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OC	12275309	ORSOZSWNMIROIY-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
Cc1cc(OCc2ccc(C(=O)NNS(=O)(=O)c3cccc(C(=O)O)c3)cc2)ccc1Cl	13148427	FETMWFHPAVIZHV-UHFFFAOYSA-N	474.922	3.549	50	40	JHGB	
Cc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	16187182	ULEIPQQZDMFPIO-UHFFFAOYSA-N	460.606	3.797	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20207603	QFYHQQLUDHSJKP-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1OCCC(C)C	22610615	RFERDRQDIKRCHT-NRFANRHFSA-N	456.539	3.753	50	40	JHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=S)Nc1ccccc1	22784891	ADNAZEDBNFVNGK-UHFFFAOYSA-N	473.646	3.802	50	40	JHGB	
COc1cc(Br)cc2cc(C(=O)NNC(=S)NCCCc3ccccc3)oc12	408585094	CLXQOUJDXIAVFO-UHFFFAOYSA-N	462.369	3.946	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br	408763402	NXIINVAONWDSIE-VMHRPQTGSA-N	496.427	3.609	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)O	408809083	HJDYQNWZJXWGBP-MJOIQJIUSA-N	459.296	3.705	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1Cl	409068269	KZNXWFLWQFEDSA-GATIEOLUSA-N	484.741	3.901	50	40	JHGB	
COc1cc(C2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC	1455667	OHRRADNLVYRIQB-HSZRJFAPSA-N	480.952	3.839	50	40	JHGB	
COc1cc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)cc(OC)c1OC	3293988	VPBPJMYDWPULTL-UHFFFAOYSA-N	465.491	3.696	50	40	JHGB	
O=C(NNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)c1ccc(F)cc1	8781559	XLMSBEFUFVVETC-UHFFFAOYSA-N	454.298	3.783	50	40	JHGB	
COc1ccc(C(=O)NNc2ncc(Br)c(C(=O)Nc3ccc(C)c(C)c3)n2)cc1	11917644	INFLSGXCMXNJCM-UHFFFAOYSA-N	470.327	3.874	50	40	JHGB	
CN1/C(=C(\C#N)C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21	13098409	XYPBJDFMWGALMK-NOEYKIMYSA-N	470.938	3.529	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)OCc2ccccc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	16972608	UGJUYLLUOAPBPN-UXHICEINSA-N	481.486	3.649	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	20232729	LYPSHMGZRBBMID-NLRVBDNBSA-N	463.559	3.982	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21	46084822	XIOIWDRAJIPZJH-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(C(F)(F)F)c2)cc1	408860515	XKBWJMKQSXCWIP-MZJWZYIUSA-N	476.480	3.754	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	408923297	VQLHWBMVWPKVDT-WXUSHSQQSA-N	482.400	3.543	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1	408977033	CGLQZEGDWMHHFA-NJRDNMGOSA-N	480.546	3.772	50	40	JHGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408988640	FDIYNOHTVFCNKP-OXRZLYTFSA-N	466.519	3.528	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	409025235	OIDNDHQQGMYRIY-YZSQISJMSA-N	465.575	3.744	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1	409026484	QKWAIGMYGWTPPS-PCLIKHOPSA-N	452.580	3.573	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2OC)nnc1-c1ccc(Cl)cc1	1306788	IMKCIXIBIGGQJM-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
COc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC	3086961	RUEACILCEOJKJW-KMPGCLQBSA-N	465.531	3.695	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	20214581	PHVOJMYYERZXCR-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)n1	33155036	RIGKADFEPGMGDY-FMCGGJTJSA-N	451.508	3.823	50	40	JHGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O	38172436	AUTFNAXIKIBVRB-WYMPLXKRSA-N	468.853	3.979	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408751840	CSCIFRQQAHXOKL-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1	409258219	XAXYJTWDXGLAOB-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)cc1	880868	CVXCTZYSMPVULV-SRZZPIQSSA-N	452.292	3.836	50	40	JHGB	
COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21	2203117	KEJIGMGKFINBNA-LJQANCHMSA-N	468.307	3.787	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2)cc1	19955719	PZRGZVPZQZXAMX-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(F)cc1	20211901	UIVRBKDGIZUMIM-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1	23411002	RUYBPDZXGSQWRK-SRZZPIQSSA-N	452.292	3.823	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1ccccc1	33347791	NTNFIGIQXLFKNL-UCQKPKSFSA-N	489.347	3.989	50	40	JHGB	
O=C(CSc1nnnn1-c1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	59639489	KBTCXKNIWLMEMU-FOKLQQMPSA-N	456.890	3.957	50	40	JHGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCC(=O)O	101440386	IZJCYYUYWAHSFD-PQMHYQBVSA-N	481.306	3.930	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	111903314	VMXJTOHGGJTUPJ-LDADJPATSA-N	469.383	3.879	50	40	JHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	408758634	OFQSOSSHSZSIBV-VMHRPQTGSA-N	496.427	3.609	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1	408779851	MDXXTJXNTZABRF-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OC	408814501	POJHMOGQMOJTND-XVDJGBJWSA-N	454.308	3.910	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-]	409023424	WHVDMHAGGBLKKZ-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O	2418705	KMBODMSTBIDKAK-SAPNQHFASA-N	466.925	3.978	50	40	JHGB	
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc21	9662644	HLBGGEVMRPZTJR-KNTRCKAVSA-N	474.542	3.918	50	40	JHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(Cn5cccn5)c4)CC(=O)N32)cc1	12275592	YFYBQPXXVZOXKJ-RLWLMLJZSA-N	488.569	3.592	50	40	JHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)COc3ccc(Cl)c(C)c3)cs2)c1OC	13021172	AEXHKMPVUVSGAL-UHFFFAOYSA-N	461.927	3.629	50	40	JHGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccc(O)cc1	16789689	YMDZOQKKZRNIKW-ONUIUJJFSA-N	458.547	3.976	50	40	JHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1	19682548	KZIXAWOCFOCCDX-VUTHCHCSSA-N	456.590	3.842	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20061292	ANXKERMOJQKEHH-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1	20207454	HBHWPFOTESLGJX-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(=O)[nH]2)c([N+](=O)[O-])c1	27905730	KXRPETAVCXYSAE-XNTDXEJSSA-N	463.475	3.692	50	40	JHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	33746708	QTAUNAILZFMXAS-AWQFTUOYSA-N	469.133	3.943	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408741899	LYNREDWRIPXULF-GDNBJRDFSA-N	458.255	3.857	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)c(Br)c1OC	408748652	GAKMFJKUWNNXRO-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC(=O)O)cc3Br)cc2c1	409190994	XXDZIDXBIGOOQR-RMORIDSASA-N	491.294	3.830	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OCC	409310015	PDCXVSMCHDUPHK-MXAYSNPKSA-N	476.913	3.930	50	40	JHGB	
O=C(NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12	1906446	SXRYYAWVKHHFGF-UHFFFAOYSA-N	482.323	3.741	50	40	JHGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1	3208678	FHWMPIRZYYVFPF-HIXSDJFHSA-N	455.356	3.682	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NNC(=O)c1cccs1	9128520	ZMBFWDXJQSNPJR-UHFFFAOYSA-N	467.551	3.747	50	40	JHGB	
O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	9720539	CYNKMMBMMLPNOE-JGICEENCSA-N	484.468	3.910	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(OC)c1	19948389	RBGJBLFPWYPGPF-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCN(CC)c1ccc(/C=N\NC(=O)COc2ccc(OC)cc2I)cc1	30802483	CGRHRRZVMURNCZ-XKZIYDEJSA-N	481.334	3.675	50	40	JHGB	
C[C@@H](C(=O)N/N=C\c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3	31858944	HTZIMSGQPLUHJW-XNIDKHOESA-N	459.369	3.811	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1OC	33697671	XMUFYKVKUNEGNO-OTWHNJEPSA-N	489.475	3.805	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OC	408754333	QFSBRYHLFHTSHK-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C)c(Cl)c2)cc1	408870919	WCGPGDARBSXTAU-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2)c(C)c1	409146068	QSBLMZNSJLHTLA-CVKSISIWSA-N	494.573	3.861	50	40	JHGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(OC)cc3)c2)cc1OCC	409219222	KHGSCQJEEYXXKJ-UHFFFAOYSA-N	477.517	3.820	50	40	JHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(Br)cc1	847148	RVBRDNXLXBEISY-UHFFFAOYSA-N	455.308	3.868	50	40	JHGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C1	9381934	JNIKLPSNJFOSCO-CHWSQXEVSA-N	480.562	3.998	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1	16187000	YDMXZMIPIUZQJT-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	408743960	IRFJNBVMRHDRBA-NVNXTCNLSA-N	459.296	3.864	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408891370	POKJCOKVHFOJLK-WSDLNYQXSA-N	481.377	3.976	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408910574	XFDGPCAYGAWVEK-VKMIRQPFSA-N	470.529	3.945	50	40	JHGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	409028864	RUMHXINBTBRREG-UPMNJHNBSA-N	467.547	3.792	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1	409147645	ZAAUUGQYDSKHCD-JFLMPSFJSA-N	495.601	3.628	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl	409164349	HHYKPIBNEOXVTG-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccc(O)c1	708562	FANDKXFYQNUWJL-INIZCTEOSA-N	458.337	3.865	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@@H](C)O[C@H](C)C3)nc12	2419368	YDIJORGUJIVUFH-WGQIQHNGSA-N	498.992	3.608	50	40	JHGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	3203152	KGCWPXFOUKVRHE-XAOCGEIJSA-N	450.882	3.740	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1	9328135	JEHZMUJHQVPELE-VHXPQNKSSA-N	450.498	3.745	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C)c1ccc(O)cc1	12362323	DXYGXJSBNDIWPB-KEBDBYFISA-N	472.133	3.845	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	19947832	KPRRRAOOAACYAT-LGUFXXKBSA-N	464.591	3.878	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1	20493145	AQGYKSJSBLMMKC-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccccc1	20493150	DQBCQHBWHUGUGF-NCELDCMTSA-N	451.548	3.821	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br	33405683	IGFNYBFZEXVENZ-AWQFTUOYSA-N	469.133	3.943	50	40	JHGB	
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(Cl)cc1	34761702	ZIKNGPQUGPZGCQ-ZVBGSRNCSA-N	473.698	3.925	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	59472787	GLAUSSNRYGDPNB-WGOQTCKBSA-N	482.949	3.588	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	90506807	RWUGHSAOGYAZIS-VIFPVBQESA-N	490.173	3.552	50	40	JHGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1	408661074	AXQLHMRXAAHEDF-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408786613	SUBGEKBLKSPMJA-RPPGKUMJSA-N	473.316	3.914	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408839501	TXXSSBOEJOWCMO-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025304	SXGYHGUDEVJWHL-UPMNJHNBSA-N	467.547	3.792	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409119584	ULQOSLFJWKTSJM-YZSQISJMSA-N	487.622	3.876	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCC	409138561	DSRRRFADKIFCAJ-KRWDZBQOSA-N	480.302	3.903	50	40	JHGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1	409156310	RXSIVTOSQSTJCQ-RPPGKUMJSA-N	484.350	3.971	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409159831	VFZLFCZZVSGPQX-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	1783640	XVEGNCMHBLUZMN-PBEVGHANSA-N	468.579	3.846	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccc1Br	3172808	OKJSDGZIUJJCAM-GFMRDNFCSA-N	455.356	3.763	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(OC)cc3)o2)cc1	3352393	FGRMTJALXKWELZ-WGOQTCKBSA-N	484.578	3.548	50	40	JHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	59960171	NFLJZBRCTCLCIH-OVNWTWFZSA-N	492.963	3.993	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408796819	ZGPXLJVCUSTHSQ-XNTDXEJSSA-N	488.281	3.953	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cccc(C)c2C)cc1	409023906	FCNOBCAIQNYGHQ-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl	409155494	IUAFLCYGALJSMY-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3)o2)c(Br)c1	409164977	QLDJQARVDWGXFK-BRJLIKDPSA-N	470.323	3.663	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409170196	SVGDHPWWYRPHBH-KIBLKLHPSA-N	485.755	3.641	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409225251	MHYXFQMGNSBADL-BZLLCWLBSA-N	490.428	3.894	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953109579	ZZWSOJHWMKIKJE-FGZHOGPDSA-N	469.654	3.883	50	40	JHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccn(Cc2cccc(Br)c2)n1	1081780	MJHTZOZWPGOLTF-UFFVCSGVSA-N	478.144	3.926	50	40	JHGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21	2618422	OOEBHTWHNWSZGP-UHFFFAOYSA-N	495.492	3.635	50	40	JHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1cccc(Cl)c1	3397209	BBFRWEQMGZYTBY-UHFFFAOYSA-N	469.950	3.556	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2ccc(Br)o2)nnc1-c1cccc(Br)c1	8895743	HMPKMNRUYZQZBJ-UFWORHAWSA-N	499.188	3.843	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1	9804802	QAFFXDJWMFDLRK-LEWJYISDSA-N	499.976	3.767	50	40	JHGB	
COc1ccccc1O[C@@H](C)C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1	11915252	OXXPHFAIJILFLQ-HNNXBMFYSA-N	469.929	3.918	50	40	JHGB	
O=C(CCCCCCCC(=O)N/N=C/c1nc2ccccc2[nH]1)N/N=C/c1nc2ccccc2[nH]1	15134733	KZEZPOMBNCGWGB-CTVDDJEBSA-N	472.553	3.770	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1	16678480	OQMXEOOMUYKBDS-FYJGNVAPSA-N	451.308	3.910	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O	16688257	QVFIHMZEMDSMEY-HHAMRVRLSA-N	455.298	3.869	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl	18282687	RXFAHDIVTYLKTD-FNFFVJSTSA-N	464.585	3.940	50	40	JHGB	
COc1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19852038	ARNMALZVTLQLRL-WIOPSUGQSA-N	495.539	3.766	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70692407	ZSOFWGIDBCDDFY-IMXAHKRRSA-N	491.556	3.973	50	40	JHGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)O	408544903	VXOXFGFXVZFLRM-CHHVJCJISA-N	493.253	3.916	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1	408770889	AUKOHLUSUUTTAU-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1OC	409009945	ANXJTYLBQOECEV-YSMPRRRNSA-N	463.490	3.581	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(F)cc2)cc1OC	409126531	CCHQZJOCALJERA-ZMOGYAJESA-N	491.566	3.558	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)O	409239214	CLDAVBLIFWARKW-WQRHYEAKSA-N	487.350	3.967	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1	1477827	TWRWBEOMFCPFJQ-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N/N=C/c1ccccc1	3672137	IVWMCNFNTYGTGL-MZJWZYIUSA-N	475.346	3.783	50	40	JHGB	
CCOC(=O)C1=C(C)N2C(=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1)SC[C@]2(O)C(C)(C)C	4294740	LBIQUSKUSUEYSU-CYFREDJKSA-N	456.564	3.926	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567678	JXJLDUCEIBQUTH-SANMLTNESA-N	454.917	3.779	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)c1	408839680	BURIPKOGDJMUOM-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)O	408844829	DCKATXFQVQRHOA-YVNNLAQVSA-N	461.268	3.821	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1O	408973303	YGHUDOZWUMNHGT-MGZHSMRGSA-N	481.593	3.888	50	40	JHGB	
CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409136962	UGHYYKVVWMAUMM-QGZVFWFLSA-N	464.259	3.622	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2-c2ccc(OC)cc2)cc1	1302687	QFBGJDPFJUMZFB-ZVHZXABRSA-N	463.519	3.787	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCCOC(C)C)c(Oc3ccc(F)cc3)nc12	3644215	VSFCDDNUPJNBAO-NBVRZTHBSA-N	464.497	3.773	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(O)c(OC)c2)nnc1-c1ccc(Cl)cc1	9019330	UCMSSLJJBYYSCT-QRVIBDJDSA-N	459.959	3.965	50	40	JHGB	
N#C/C(=C\c1ccccc1I)c1nnc(N2CCOCC2)n1-c1ccccc1	9090874	CAYSEJLJFIPVBL-SAPNQHFASA-N	483.313	3.773	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1Cl	20213290	UCHICODPNYZYCY-LFVJCYFKSA-N	466.003	3.975	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c(OC)c1	20240510	DYMFEYXCNOKCKY-VUTHCHCSSA-N	488.588	3.799	50	40	JHGB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2cc(OC)cc(OC)c2)cc1	20288743	GKQZQTSSYQWJAI-ULJHMMPZSA-N	486.528	3.672	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1	58914588	UULSOEGLFPLPKQ-NHDPSOOVSA-N	457.240	3.706	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2)cc1	58919057	FSBIBDBYMZKPDC-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(Cl)c1)Cc1ccccc1	108163198	HHHXOZNRWIQDOG-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408609116	JKWGMNKHCANJEV-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1	408886790	MBWYJZYZHUZOMJ-ZVHZXABRSA-N	458.923	3.945	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c1	408934870	CYZBBJPXELUIFK-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c(OC)c1	408974565	ZSYIXERJBBWKRL-ZVMZLPNLSA-N	482.625	3.910	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)O	409242101	LVPKRVBSSNKHPZ-TUTDSIAXSA-N	459.296	3.705	50	40	JHGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	8819897	VLIXTRZJSXTASK-ZHZULCJRSA-N	499.614	3.624	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1	20060189	YPZDOIGKYDMBLL-CVKSISIWSA-N	499.976	3.995	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	30802424	WBAOBGKUDZNSQF-CFRMEGHHSA-N	453.838	3.997	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408544999	WTIFWCJOUUHZAS-ULJHMMPZSA-N	489.572	3.666	50	40	JHGB	
Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1B1OC(C)(C)C(C)(C)O1	1857794534	WOPKVULTQIRYQZ-UHFFFAOYSA-N	492.406	3.585	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1nn(Cc2ccc(Cl)cc2)cc1Br	8780798	LBQAYWFDCXXPCP-ODCIPOBUSA-N	478.690	3.725	50	40	JHGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	9087135	BDEUIGLZYZQLGU-FCQUAONHSA-N	465.469	3.645	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2)c1CSc1ccc(Cl)cc1	9497138	QYNZTANVEZQMGZ-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccccc1O	19948482	JQELPRQOPZSTLM-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	19950307	FJLODYRPXVRRTR-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	20499759	BBTKYYKFIMDNEB-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCC(=O)OC	20760986	FGZBUILNYIBWCJ-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1	35409520	FQDMRCJLYZQSCC-ONUIUJJFSA-N	465.575	3.735	50	40	JHGB	
COc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1O	108313302	KDAQRLASNVBAFR-YSMPRRRNSA-N	487.622	3.800	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)c1	408781922	FRHABUFZMLCOMU-WPWMEQJKSA-N	489.553	3.900	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)c(C)c1	408873328	TUDZRVIHIUWIKI-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OS(=O)(=O)c1ccccc1	408890023	MRQUZCKFMSUGSB-ZVHZXABRSA-N	497.554	3.847	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)Cc2ccccc2)c(OC)c1	408973226	AALXSBZNCDWLHU-UHFFFAOYSA-N	473.595	3.721	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC	409027180	BNGXHBINNQTNCQ-WYZSWBMLSA-N	497.573	3.801	50	40	JHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1	409313354	BQQBKSFOJKLFMN-OAHLLOKOSA-N	473.913	3.976	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409314857	HRXFDKBKXLTTBR-IWIPYMOSSA-N	454.504	3.544	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)cc1	2298978	WMDHCCZZCLZUSB-GOSISDBHSA-N	452.492	3.704	50	40	JHGB	
CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	8983774	CCCNFPRCJGKHKZ-UHFFFAOYSA-N	453.037	3.711	50	40	JHGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NNC(=O)c3ccncc3)c12	9631312	OVYZEDXHVHVOPB-UHFFFAOYSA-N	454.515	3.927	50	40	JHGB	
CCOc1cc(C/C=N/NC(N)=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	15018582	GCHQFAGAZVSVKV-KTZMUZOWSA-N	477.359	3.679	50	40	JHGB	
CCC(=O)N(NC(=O)Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O	18222195	OSXIOWBALMTBKN-QHCPKHFHSA-N	471.513	3.623	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926229	IHSJEHODRIZIGE-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1I	59334084	KBXIQXROQGAYGD-WDZFZDKYSA-N	461.097	3.614	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1Br	101087779	WMQIWBJHXHEDQZ-XVQOCTBXSA-N	489.395	3.819	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(Br)cc2)cc1	408752923	DKKGOLYZQJWVPH-MEGCXXLRSA-N	466.401	3.601	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC	408804375	FCNJHFRXSLUXKN-CJLVFECKSA-N	485.540	3.987	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccccc1	408858649	JVZWPBCUENOFCH-TURZUDJPSA-N	492.601	3.943	50	40	JHGB	
Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)C(=O)NC2=S)cc1C	408989230	SQJLYCVSZPUAKG-OBHPCNEJSA-N	466.950	3.718	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1Cl	409273161	WBJQFTDULNIOQS-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1sc2ncn(CC(=O)NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(=O)c2c1C	8825838	NBFGEZAIJUOGGG-UHFFFAOYSA-N	483.553	3.751	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1	9373037	ZWMYVUHTDHMBMR-UHFFFAOYSA-N	485.500	3.574	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCC#N	9934540	IIJFZAGNVJDQLD-SSDVNMTOSA-N	475.242	3.712	50	40	JHGB	
CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)cc1	12447012	SYRMPRWTDBXKIY-AFUMVMLFSA-N	475.343	3.616	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])o1	67192588	ZYUIVFPHNZLGKY-LSHDLFTRSA-N	474.813	3.954	50	40	JHGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	253488085	WTPJFJSDCQNWJK-WSOYEBOPSA-N	490.475	3.767	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1OC	408610450	UIMCNEFZOYTAES-MUFRIFMGSA-N	495.963	3.745	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(Br)cc1	408796783	PXASDCRBLTVIFG-RKCQOLGWSA-N	484.350	3.669	50	40	JHGB	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br	408800567	PRTCGNSRRDEAPR-GIJQJNRQSA-N	470.323	3.578	50	40	JHGB	
C#CCOc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)cc1OC	408819451	SFXCXSGJCROJFN-WPWMEQJKSA-N	493.357	3.856	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1ccccc1F	408868576	PHTIEWHSYZEODQ-VGOFMYFVSA-N	450.251	3.812	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c(C)n1-c1ccccn1	409250189	WJGOSOSFLHRCJY-SSDVNMTOSA-N	460.275	3.563	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1	409323636	OURXLTZJGIDZHX-SFHVURJKSA-N	486.391	3.846	50	40	JHGB	
CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1	2700065	LJRUQNHILYRFOV-UHFFFAOYSA-N	491.042	3.594	50	40	JHGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cccnc1	12374806	WDKGCLHMEQWAPE-SFHVURJKSA-N	454.559	3.905	50	40	JHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl	13880655	JSIAWNYPJPQUHW-ZSZRBZNDSA-N	470.894	3.937	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC	15223210	AHHNXHZXBRVFIQ-SDQBBNPISA-N	479.230	3.762	50	40	JHGB	
O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)NNC(=O)c1cccc([N+](=O)[O-])c1	15280966	KAFYUMSTVBCONY-UHFFFAOYSA-N	483.506	3.959	50	40	JHGB	
Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	20558582	CKPDKRRUCJMJCX-QFIPXVFZSA-N	456.527	3.917	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccccc1	59503530	XTGVLRXBFSUXFK-WKULSOCRSA-N	488.544	3.915	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1O	408786102	MCCBMBATXWUFJK-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2C)cc1	408861436	AJQJOZXUPJJIBJ-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1	409061919	JZYCDWYVTBLQPY-MBTHVWNTSA-N	451.486	3.598	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409124815	CRJYPVAIQQPEJW-PCLIKHOPSA-N	465.531	3.509	50	40	JHGB	
COc1cccc(/C=N/NC(=O)COc2c(Br)cc(OC)cc2Br)c1	1435598	XDLRYDWQJXJQEW-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
O=C(CSc1nnc(Nc2ccccc2)s1)NNC(=O)c1ccc(Br)cc1	2627810	JEXMXNJUMOQUIT-UHFFFAOYSA-N	464.370	3.598	50	40	JHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)ccc1OC	12275140	ITHUCAZKNFSZQM-GKVSMKOHSA-N	482.558	3.754	50	40	JHGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20171761	NWGRFJNIXRXEPL-FQEVSTJZSA-N	464.971	3.912	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1	20214291	USVVNTIIZANHFL-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C3(c4cccc(Cl)c4)CC3)c2)cc1	23055811	YDKKDAGPQHOBFZ-UHFFFAOYSA-N	499.976	3.642	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl	408945621	WZLOTZJNQWEMBZ-WYMPLXKRSA-N	469.885	3.753	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c(OC)c1	408974562	ZSYIXERJBBWKRL-TUJXVDMFSA-N	482.625	3.910	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1cccs1	13810031	OBMNRPKUTIRSCA-PYCFMQQDSA-N	461.385	3.825	50	40	JHGB	
COc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1	26580618	PIYXUFYPKBDAEV-NOZRDPDXSA-N	495.539	3.766	50	40	JHGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1	408737272	MXOMHVCFZVPTED-WYJRTQJISA-N	494.552	3.586	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccc(Cl)c(Cl)c1	409165983	BVHWEKDQMNROGM-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccccc2)cc1	1306908	DWAZCPATNRNFME-PCLIKHOPSA-N	460.563	3.914	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1cccc(F)c1	1444733	MPLIXBKMARIUFW-KIBLKLHPSA-N	472.270	3.975	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8951353	RGNJDPOTBZWDPG-XZOQPEGZSA-N	480.484	3.657	50	40	JHGB	
N#CC1=C(SCSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)NC(=O)C[C@@H]1c1ccco1	13533630	HDUDREHUDDPVCN-BETUJISGSA-N	452.517	3.674	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OCC	20209125	SDDFZTQTMFUSEG-BUVRLJJBSA-N	461.584	3.524	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1-n1cccc1	408749260	MLXYTYMHPFRPPY-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(C)c(C)c1	408875604	KNBLUHDUTFGDJT-FRKPEAEDSA-N	462.287	3.888	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c1	409170005	RVXLLAZQYJCKAH-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2cccnc2)cc1	1479588	BMHOMAITDRKXPR-WPWMEQJKSA-N	473.562	3.756	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	2660973	RDOBQTAEVOGYPW-HZHRSRAPSA-N	470.507	3.649	50	40	JHGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2O)C1=O)=C\c1ccccc1	8820594	ZSQAZJIXCVPHQR-GEZYKDBCSA-N	481.599	3.781	50	40	JHGB	
CCn1cc([C@@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)c(C)n1	12413839	FNAQBRBMNZAETQ-KRWDZBQOSA-N	455.613	3.868	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1	19951273	IUSFKUHMMSIJEF-LFVJCYFKSA-N	487.379	3.580	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1	20232479	ROZGSWUAGPESSZ-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(O)c(O)c3)C(C#N)=C(N)O2)S1(=O)=O	67225349	ZIEJKWTXPPYISH-QHCPKHFHSA-N	487.537	3.933	50	40	JHGB	
O=C1C(NNC(=O)c2ccccc2)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2	101181470	HCUJNPMWFCVNPT-OOAXWGSJSA-N	467.934	3.518	50	40	JHGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311839	VILNIASAAXMZIX-VWJAPZSESA-N	480.839	3.564	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1	408777299	YBJRYRWJUDIEPF-WSDLNYQXSA-N	476.352	3.593	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC	409310436	UUEDTKFPSSOZTK-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1O	409358116	JZWKRKFRYCMEGJ-ZVBGSRNCSA-N	471.149	3.878	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1CCN(Cc2ccc(Br)cc2)CC1	8780775	SGTNOFHTSOVHOX-RGVLZGJSSA-N	451.346	3.781	50	40	JHGB	
COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCC(C)C)cc1	12138178	BVLMMFZCKUENPU-UHFFFAOYSA-N	465.344	3.584	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccccc2F)cc1	15225354	SOUHWPMUPKPGKJ-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
C[C@@H](C(=O)N/N=C\c1cc(Br)ccc1O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31858915	MNEXANQHOZHRSZ-DHMNNVHTSA-N	489.395	3.762	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(I)c1OC	38534963	MJYKKYJYUPPCLU-VCHYOVAHSA-N	480.393	3.735	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408610243	MYFIFPXGJOCZDZ-BHGWPJFGSA-N	452.338	3.946	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1OC	409013244	MTKWNBZBPCNAMO-YUMHPJSZSA-N	477.517	3.884	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2cccc(Br)c2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	409054348	JDDVCCVBYRSATD-MYKKPKGFSA-N	470.714	3.592	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	409063757	MUIBYZVLKXUWEJ-JVWAILMASA-N	495.601	3.662	50	40	JHGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)CCc1ccc(O)c(O)c1	2852713	GEOYTUHZFJZPSB-UHFFFAOYSA-N	471.560	3.563	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2)cc1	19956864	XKVWAURYOWKDJU-MFKUBSTISA-N	497.598	3.761	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	20211456	ALBILKDFFJZFDX-FOKLQQMPSA-N	472.394	3.945	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	104126737	QOCMYQOZBNKLBE-VNMZOBIQSA-N	454.354	3.701	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC	408747795	TTYKHAQHIWPBLM-SSDVNMTOSA-N	498.704	3.738	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408747943	VYZIMWYJBXCLJN-YVLHZVERSA-N	472.282	3.535	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)COc2ccccc2I)cc(OCC)c1O	408815071	RLQOJIGGOWYZTQ-UUYOSTAYSA-N	480.302	3.653	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	408927271	ZZOMGWYSOQOPQP-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(N)=O	409227293	XUQVXWHGRWVBLX-WUXMJOGZSA-N	464.703	3.521	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(OC)cc2)ccc1OCc1ccc(C(=O)OC)o1	9131001	CWCLRJLSMMXQCV-MZJWZYIUSA-N	481.505	3.615	50	40	JHGB	
COc1ccc(Cl)cc1NC(=O)c1nc(NNC(=O)COc2ccc(F)cc2)ncc1Cl	27987615	JVKYTPFXZCFETG-UHFFFAOYSA-N	480.283	3.706	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1	58924893	VVTAWOCHPVSGQP-NLRVBDNBSA-N	469.538	3.960	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408748706	BSZKEUIAFUYVEJ-LQKURTRISA-N	496.947	3.677	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408777718	GVZVPUMZKAVNNN-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408923844	KOQQDLGECIMAIO-PCLIKHOPSA-N	484.530	3.634	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccccc1C	409009563	AYALSAQTPUMJEI-NTFVMDSBSA-N	490.560	3.616	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(F)cc1	409264963	HHCAQIQZHWLVLQ-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2	21769154	GZOBZJLBICHFGA-UHFFFAOYSA-N	476.017	3.678	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)Cc2ccccc2)cc1	59444267	MVIRPLOGAZRYQX-PCLIKHOPSA-N	483.615	3.758	50	40	JHGB	
Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(I)cc1	408591919	WKUTZHQAKLIGFP-IYHCKTHZSA-N	473.314	3.882	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1O	408780715	IVWFZMKXXLGVNO-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1O	408905046	SKUWUUXOTFZJCL-UKWGHVSLSA-N	495.229	3.814	50	40	JHGB	
CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccncc1	408972432	TZMOJCNOUHJFRM-HPYLWZDGSA-N	451.354	3.837	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2cccnc2)cc1OCC	409068217	KRVWXWNIYYOKQB-NHDPSOOVSA-N	453.280	3.638	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C	409141927	CGTYRQFYYDVRGO-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409164334	GZORZRFMPLUNOB-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2	2794263	WLMPKUNBXQEIFS-WMZOPIPTSA-N	498.575	3.812	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O	13856844	ASXNOCKCUXZBLN-QGZVFWFLSA-N	451.281	3.866	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19948491	FYUHOIZNFCPLSK-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1	408764303	MAENEHLCKSWREU-SYOQMXFQSA-N	497.573	3.651	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(I)c1OCC	409145864	QGXWWZGRGKOSLC-SSDVNMTOSA-N	496.301	3.510	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(O)c1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	1055574	ZEWGFUYZQALSGE-WYMPLXKRSA-N	494.305	3.578	50	40	JHGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	2246022	LKINIYIINJWXBB-CKNGIZQFSA-N	492.626	3.862	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567656	YVIVITVBANGUIX-NDEPHWFRSA-N	466.516	3.901	50	40	JHGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C1/C(=O)Nc2ccc(Br)cc21	18094096	FGWIWEWSNUGZJE-UHFFFAOYSA-N	450.292	3.968	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19950535	MBFJNJIGGZVSTQ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1COc1ccccc1C(N)=O	20258646	OAFCDSPSOCEMML-LGJNPRDNSA-N	482.334	3.900	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)Cc2ccccc2)cc1	59443702	FDYBSEARYUAGIN-UHFFFAOYSA-N	470.595	3.662	50	40	JHGB	
CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)sc(C)c1CC	97664022	SUONQCCDKCHMHE-ATVHPVEESA-N	469.563	3.951	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408689151	XRVGQUYWRAXPMP-JWQGWVRCSA-N	476.150	3.634	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC	408971289	FPAITPAMJYYRGA-MUFRIFMGSA-N	476.577	3.537	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OCC	409005742	KTMSBHUOWFCSHE-MTDXEUNCSA-N	497.592	3.894	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1OC	409010995	FDIVKYFDWAXJOH-OYKKKHCWSA-N	453.520	3.937	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409255938	MLFQDGSRIJASGS-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1CN	1911531035	UVEAUDRUWOAZRO-SFTDATJTSA-N	454.687	3.900	50	40	JHGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1cccc(O)c1	2396555	KQZGYKIEIRZWIW-ZVHZXABRSA-N	474.502	3.791	50	40	JHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC(F)F)cc1	9140269	WWDUYEXONNBZRC-BUVRLJJBSA-N	451.495	3.617	50	40	JHGB	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)n1	16056938	PCMDZRFSAICOGR-UHFFFAOYSA-N	451.477	3.707	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1	16136777	HACVUZFDMRMFHI-OCSSWDANSA-N	489.532	3.907	50	40	JHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1O	100488499	GBWFUUHESIVPFK-HIXSDJFHSA-N	450.292	3.836	50	40	JHGB	
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408685698	PZOSGMZWGQHKDC-ORIIPUBOSA-N	453.745	3.973	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccccc2Br)ccc1I	408746946	IHECBAIVVYZNRM-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccc(C)cc1	408892548	CJJKCSDWLPPFNE-AFUMVMLFSA-N	488.949	3.954	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408968255	XPMWMLZCEKOVLO-LQKURTRISA-N	489.601	3.913	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2)cc1	409157298	IFMJVHHSTVUGLQ-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1cc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc(OC)c1OC	9097255	HNDVSJWQCHAXMM-OEAKJJBVSA-N	489.575	3.729	50	40	JHGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc4ccccc4c3)nnn2-c2nonc2N)cc1	9191466	VFOUGNZVRPCEQW-JFLMPSFJSA-N	482.504	3.605	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c([N+](=O)[O-])c1	9355255	OWLJCGMLIMBEKD-FBCYGCLPSA-N	487.104	3.663	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccc(OC)cc3)cc2N)cc1OCC	14020413	YONWRTQEVBOUFS-UHFFFAOYSA-N	455.536	3.878	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1)S(=O)(=O)c1ccccc1	19937039	ZXYAXNPJZWRSFH-NLRVBDNBSA-N	479.558	3.849	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408962938	LGECETKTDBTDPU-NUGSKGIGSA-N	459.218	3.784	50	40	JHGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969797	UTVJEGGGQHGHFM-QDCCHXAWSA-N	499.564	3.599	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nc3ccccc3c2=O)cc1	1478400	AUZCEACRGOWUOR-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(COc2ccc3c(c2)CCC3)cc1	8781126	NWJHRHPHLFSLHG-UHFFFAOYSA-N	476.445	3.646	50	40	JHGB	
O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/c1ccc(Br)cc1	9905863	LNEGHSRPGFYLOD-QGMBQPNBSA-N	457.078	3.649	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C(C)C)cc2)cc1	13524271	KQMPJRDGTIOZFO-UHFFFAOYSA-N	456.612	3.512	50	40	JHGB	
COC(=O)N/N=C(/C)[C@H](CN1CCOCC1)[C@@H](c1ccccc1)c1cc2ccccc2oc1=O	17215453	PGQGAVVWIXPQMZ-XUJIPHIUSA-N	463.534	3.605	50	40	JHGB	
CCOc1ccccc1NC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	22530790	GIXVGPOAIUZGNH-UHFFFAOYSA-N	450.568	3.753	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c1	59472881	FJBUWJYKBAGZLN-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	100539749	ODDDSEGRTUEPNP-BCFCROPCSA-N	477.978	3.731	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCc1ccc(F)cc1	408610634	OQLQSXBXIPWFIL-CCVNUDIWSA-N	469.900	3.833	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1cccc(Br)c1	408894306	HKSPMQRTCBPNCY-HYARGMPZSA-N	459.321	3.981	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1	408906504	CBRZBPMNXFFLJZ-BRJLIKDPSA-N	489.903	3.840	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1	2357246	HUHORMUNKRWPDY-QGZVFWFLSA-N	497.573	3.949	50	40	JHGB	
O=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1	33348519	DQXWDPYRUBCXJN-GXHLCREISA-N	452.652	3.612	50	40	JHGB	
COc1ccc(CCNC(=S)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OC	40060250	ZSOIKOZVMOZPQH-UHFFFAOYSA-N	485.635	3.554	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC	408528498	HUCWDEMFUYWNGN-SSDVNMTOSA-N	467.307	3.569	50	40	JHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	408737682	NRWPFLUOOVBGSH-PXYXSCDOSA-N	451.483	3.520	50	40	JHGB	
Cc1ccc(S(=O)(=O)O[C@@H]2CSSC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	1617545	NHKHBQRGOSNFMR-QZTJIDSGSA-N	460.620	3.546	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	2177612	HZBOOFOVDYOOQQ-WPWMEQJKSA-N	478.618	3.711	50	40	JHGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)NNC(=O)Cc1cccs1	2316448	GGJBBUNDEUPOFI-UHFFFAOYSA-N	469.375	3.897	50	40	JHGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	8781156	RJAXGSMUGURTFL-DNTJNYDQSA-N	466.133	3.726	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	9320152	OTCNWQAHEOWDKA-DHIUTWEWSA-N	493.585	3.757	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCC(=O)OC	408798090	UTSHGIZHOZXRQQ-OQLLNIDSSA-N	489.322	3.954	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)cc1	408856781	DRQPWBANBPBYFL-WPWMEQJKSA-N	493.585	3.674	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2C)CC1	409004274	BRDYEGCTGSSWRD-ZVHZXABRSA-N	458.356	3.769	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	409116091	KOCKUBJXDCECAZ-WGOQTCKBSA-N	497.573	3.610	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)cc1	409160770	XCWDWUPQCOGQBE-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1	409169801	RNIWROKERJFSOL-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1	409248956	GDKKYRNNLUBUQQ-MYYYXRDXSA-N	462.462	3.775	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	409332436	FFBUEZKZMDIOCR-AMAFCZHPSA-N	492.370	3.715	50	40	JHGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	937130	VFWUJICONFXZRV-UHFFFAOYSA-N	463.556	3.697	50	40	JHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NN(C)c2ccccc2)C(C)C)cc1	3190324	PPWBUTNETWTAPX-XMMPIXPASA-N	474.561	3.870	50	40	JHGB	
COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1	9381814	NLNQUTUHLNFJGA-UHFFFAOYSA-N	494.598	3.809	50	40	JHGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@H](C)CCc3ccccc3)c2c1	9762911	SYXVWDYXRYOQQP-LJQANCHMSA-N	462.594	3.701	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1	20211717	ZVKGVHFUAVIWAW-CVKSISIWSA-N	469.538	3.629	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OCC	20212837	KRHPYRICXXFLRT-ZVHZXABRSA-N	482.002	3.752	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1	20240358	MIBXBGWZSBPLCW-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	20814336	NMFARZKBBWIRSL-OAQYLSRUSA-N	453.520	3.919	50	40	JHGB	
C=CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC	39986468	WEVBEZJZJHBJHJ-ITYLOYPMSA-N	485.606	3.734	50	40	JHGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(OC)cc4)cc3)nc2s1	41078066	XSSCBHHXURPQSK-SFQUDFHCSA-N	487.541	3.847	50	40	JHGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCCC3)c12	59087276	KMNQJLRRPOKFSB-FYJGNVAPSA-N	484.556	3.778	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408812036	NJMVSKCQPDQCEP-YZSQISJMSA-N	463.331	3.847	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408862348	GWYKAHJQTVNLJS-WPWMEQJKSA-N	482.537	3.520	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)c1	408873721	WNBGBMZYZIISLO-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1)OCc1ccccc1	408992977	VICUKIBHNXAIAD-OFGWUUMASA-N	475.480	3.797	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1	409009884	AHUZEELCWJDMAB-WGARJPEWSA-N	467.909	3.895	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1	409156246	NLDXYQQZUGOXIN-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC	2246909	HLIYOHCOBAUOIO-QHCPKHFHSA-N	461.493	3.774	50	40	JHGB	
COC(=O)C(C(=O)OC)[C@@H](Br)[C@@H](Br)[C@H](Br)c1ccccc1	5082506	BNZPJJVZKBTFON-UTUOFQBUSA-N	486.982	3.612	50	40	JHGB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2cccs2)cc1	20288754	UJFPECSOXLIRPX-QNGOZBTKSA-N	462.531	3.725	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1	20558259	UCTQCGCJSIUWAS-QHCPKHFHSA-N	499.548	4.000	50	40	JHGB	
CC(=O)[C@@H](/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	28294443	TVSLBJUOLJOTSA-WAFWZSCLSA-N	458.344	3.606	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12	59105058	WXRDSVIKAAEDHJ-AUWJEWJLSA-N	455.268	3.810	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC	408863039	KLEWJRHKIJTSFG-WPWMEQJKSA-N	497.548	3.745	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408891917	FICUEIOCXLZLNZ-WYMPLXKRSA-N	494.404	3.712	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	408923882	HRYCLKZAMFIRTK-GNYKCMPYSA-N	465.575	3.642	50	40	JHGB	
O=C(N/N=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(-c2ccccc2)nc2ccccc12	409048329	WETLONCKCTYONU-BRIUQDKPSA-N	493.548	3.682	50	40	JHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1cc(Br)ccc1O	409140185	FULLIZMYSSGROX-ZVBGSRNCSA-N	474.223	3.785	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C	409170441	VSCRXQQUSWOWSN-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C	409242993	UBKZFYHREJYUQY-WYMPLXKRSA-N	451.552	3.530	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1C	409258545	VJGGHLYEXPDUMI-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409265875	UTOMBMBWVHFASI-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409271223	KSJROTVFJVNVNL-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)ccc1OC	409318866	YHZFTWXMMUOXDM-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(I)c(O)c2)cc1	2323523	MNNMQSPWGAVIKF-CIAFOILYSA-N	461.259	3.560	50	40	JHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21	8812680	SALAGKPMJBODRN-FOKLQQMPSA-N	458.312	3.739	50	40	JHGB	
COc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	26608144	RSKSEPAJYAKYCB-DNQXCXABSA-N	465.513	3.757	50	40	JHGB	
CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1	408692400	LQJLXSGRMDNGEU-RWPZCVJISA-N	450.514	3.901	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409023896	FAPPTQFBTFMGSC-MFKUBSTISA-N	485.949	3.611	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC(=O)O	409041890	KOEXPASBPBMTIZ-LZYBPNLTSA-N	459.296	3.535	50	40	JHGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC	409097720	NXHJVIOACDHDNS-HXUWFJFHSA-N	469.291	3.807	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2	1216497	UXQSREQSWWRHEP-UVHMKAGCSA-N	461.474	3.514	50	40	JHGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc[nH]1	2341086	CNWHKAMBVJWZEL-NGYBGAFCSA-N	479.954	3.831	50	40	JHGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCC(=O)O	2369471	IZJCYYUYWAHSFD-YIXHJXPBSA-N	481.306	3.930	50	40	JHGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	9331253	LHLCUVLVMBHKAF-MRCUWXFGSA-N	455.405	3.797	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1C	9442602	XITOVUXWCXPMOY-AUEPDCJTSA-N	453.583	3.534	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)c(OC)c1OC	9846857	BIRGGIQZYVHQRE-IBGZPJMESA-N	465.531	3.511	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1I	10060098	ANMUAINUSNFYJD-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)NNC(=O)c1ccc(Cl)cc1	13097389	IONBOKAUCYGXBW-MQVJKMGUSA-N	469.028	3.647	50	40	JHGB	
COc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(C)=O	14922993	DUJJKOADWSVBFF-PZMJATQJSA-N	463.515	3.603	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	16347027	OTIYIFOFKNDMEV-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OCC	20214952	WMYQEQZHJHZKDT-YZSQISJMSA-N	483.590	3.944	50	40	JHGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2c1	58872894	NLYWYHFFBKBFGD-UVHMKAGCSA-N	459.481	3.872	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1	58911733	QOEDUCCVNUPVAE-AFUMVMLFSA-N	453.340	3.623	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC	58914149	UICTXIVYRGKYOT-LQNQUEJISA-N	490.604	3.927	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	408859253	RLELTVQFGSJYJI-YZSQISJMSA-N	481.574	3.828	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	408875229	HSASVUXDPMUSNY-IPPBACCNSA-N	472.467	3.888	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2ccccc2)c(C)c1	409149684	NGMHGNPOAVOBOW-CVKSISIWSA-N	494.573	3.861	50	40	JHGB	
Cc1ccc(S(=O)(=O)Nc2nc(C)cc(NNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1	984900	WKTKHESUMJEEAR-UHFFFAOYSA-N	496.376	3.723	50	40	JHGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C1	9381933	JNIKLPSNJFOSCO-STQMWFEESA-N	480.562	3.998	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(I)c1O	30838832	ARQVHAKTYPDMCU-FBHDLOMBSA-N	468.291	3.541	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	31670070	UJXZRBSIOHELMY-BKNYSILLSA-N	495.279	3.581	50	40	JHGB	
C/C(=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O	100065312	NQBZAUJUSXROSZ-UQQQWYQISA-N	455.511	3.575	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2O)c(C)c1	109245451	OXLUEQTYSDWGFT-PKAZHMFMSA-N	479.602	3.701	50	40	JHGB	
Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(I)cc1	408591920	WKUTZHQAKLIGFP-VMHRPQTGSA-N	473.314	3.882	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408608266	GZNLPAJSKLGCTA-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408795211	UUBHKHYCZMPJTG-RIYZIHGNSA-N	474.267	3.845	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	408888664	YOPHGAPABWNARD-YDZHTSKRSA-N	489.893	3.545	50	40	JHGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NC1CCCC1	409189960	OMOQKRNQFPSUPT-BJMVGYQFSA-N	461.097	3.725	50	40	JHGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(N)=O)C(=O)Nc1ccccc1	409250438	LQTLVOGJIIETOK-WUXMJOGZSA-N	479.128	3.621	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	409362302	IVICYHNODQFVRL-YSMPRRRNSA-N	477.473	3.646	50	40	JHGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccccn1	2354064	ZCPHVJGFIFHGGK-FBCYGCLPSA-N	491.965	3.898	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1O	14361434	POXGTAMKTKHSNX-QGOAFFKASA-N	455.536	3.511	50	40	JHGB	
CN(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl	16187126	NMMPBYCRTGNYLK-FSJBWODESA-N	450.347	3.917	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19926277	SCUDLVMSOHHADS-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
COc1cc(CCNC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc(OC)c1OC	59483160	UJCUKUHAKXYIBK-OCSSWDANSA-N	485.540	3.828	50	40	JHGB	
O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1	100951672	PDNCLFWZMMRDCA-JOCHJYFZSA-N	478.457	3.929	50	40	JHGB	
COc1ccc(/C=N\NC(=O)c2nn(C)cc2Br)cc1CSCc1ccco1	101529738	AJQPJKHHPAAJBU-NKVSQWTQSA-N	463.357	3.982	50	40	JHGB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21	408605186	KWEPEOKFLHPEBV-INIZCTEOSA-N	463.357	3.794	50	40	JHGB	
O=C(CCc1ccccc1)Nc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408688633	WKEOBGBIYFXUMF-BDACHGGBSA-N	483.362	3.767	50	40	JHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(Br)cc1	409225137	OUQKJIAVDMJSTO-UHFFFAOYSA-N	482.290	3.505	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1OC	409357573	ACQMATQUCFDRLG-MTJSOVHGSA-N	452.292	3.700	50	40	JHGB	
CCCCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2cc(Br)ccc21	2340533	HKNCMJHGSKLSIH-JWGURIENSA-N	480.160	3.887	50	40	JHGB	
C[C@]1(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)CC1(Br)Br	2753106	LQMNURGDJUYVGU-ZBCTZOGWSA-N	482.954	3.524	50	40	JHGB	
CCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	4156956	FEUHBYAIDMTQBZ-ZQDZILKHSA-N	473.161	3.680	50	40	JHGB	
COc1ccccc1OCCOc1ccccc1/C=N/NC(=O)CSc1nnc(C)s1	8861557	RKTMQFPNNGPPER-LPYMAVHISA-N	458.565	3.555	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	9262641	KZDMROUUPBBTDK-OVCLIPMQSA-N	459.296	3.864	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc2c(c1)OCO2	13138147	YBJDNFZBQVXMON-APMCZMJBSA-N	451.523	3.738	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20208778	NXSAGNWXNKHMBG-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)OCCCNC(=O)c2cc3ccccc3oc2=O)cc1	27563384	XCFSLZLFEXOADI-HMMYKYKNSA-N	460.486	3.852	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	105180360	BUBIWJSVLDZWST-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	408863112	LCSROOOARXBATC-ZTKZIYFRSA-N	453.546	3.675	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	408968932	CYYTTYTVSUHBFN-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)cc(OC)c1OC	409227303	UWFNTGJMAQPYNY-MSXFZWOLSA-N	458.854	3.942	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnc1-c1ccc(Cl)cc1	1308316	ACNCTOVDKIBKDH-FSJBWODESA-N	457.943	3.647	50	40	JHGB	
Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c1	9908296	MYGSNDDFIPSZCD-SCDVKCJHSA-N	472.133	3.769	50	40	JHGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1F	9963788	LXNXOJRIKCWBFT-UHFFFAOYSA-N	485.581	3.912	50	40	JHGB	
NNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1	11692312	NKHIGSKCNYTZPK-AWEZNQCLSA-N	480.393	3.897	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	12250308	QCWCBKAOARDECI-FGZHOGPDSA-N	477.586	3.976	50	40	JHGB	
CCn1cc([C@H]2C(C#N)=C(N)N(c3nnc(SC(C)C)s3)C3=C2C(=O)CCC3)c(C)n1	12413841	FNAQBRBMNZAETQ-QGZVFWFLSA-N	455.613	3.868	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	20214014	PRNZTDLMNYKDGX-NLRVBDNBSA-N	479.558	3.960	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)N1CCOCC1	408760130	SEDFKJRAEYTFTL-LFIBNONCSA-N	460.317	3.777	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(C)C	408884517	URCDWCLRZXLWEX-UMFTVLFGSA-N	494.013	3.687	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409160867	XOJSCOUIEDEJCL-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
COc1ccc(CCNC(=S)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1	9284462	AXSJPJRATFKRHZ-UHFFFAOYSA-N	457.559	3.657	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	408727984	UGFDZRZEOZFEBG-PCLIKHOPSA-N	496.545	3.724	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1	408778574	HPXLUKMJMKRNPE-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OCC)c3)[C@@H]2C1	1240831	ZUXPMPJPHIJOFZ-OFNKIYASSA-N	475.549	3.754	50	40	JHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(Cn5cccn5)c4)CC(=O)N32)cc1	12275596	YFYBQPXXVZOXKJ-LVXARBLLSA-N	488.569	3.592	50	40	JHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(Cl)cc1Cl	12446964	XLYKXYJDYICLGE-UHFFFAOYSA-N	457.111	3.916	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	16187155	LVUYJZBVIVVUOA-NUGSKGIGSA-N	468.284	3.783	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OC	83292650	GLEPTDQFZKEWNE-NEIHUHTASA-N	482.318	3.662	50	40	JHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccc(C)c([N+](=O)[O-])c1	408531767	LNQKNSDWZDNGTG-YBEGLDIGSA-N	486.326	3.824	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408744081	WGWCVBRAVRHSRL-DHDCSXOGSA-N	459.296	3.945	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1O	408799450	ZISHPQYPPKKZSU-RIYZIHGNSA-N	492.269	3.728	50	40	JHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1	408834849	VXKSYRQOMLVJJN-UWCCDQBKSA-N	476.920	3.972	50	40	JHGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)NCc1ccccc1	409263139	AJLBFAFENUEDBT-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc(C)c1O	3112964	VPZILTUQUFOUST-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1	11690300	CZKYXMKVNCSRQR-KOXKPCSVSA-N	472.364	3.630	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC	13577029	PUSCMCDSGNPRFX-NLRVBDNBSA-N	497.573	3.803	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC	33929326	NBRXOAQNZFXPCU-JTOGBTRBSA-N	475.545	3.653	50	40	JHGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)cc3O)n2-c2ccccc2)cc1	55389418	QADOCBDTRCNBTK-QFEZKATASA-N	459.531	3.896	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(SC)cc2)cc1	59444273	TVTMBIMRYMUAHH-NLRVBDNBSA-N	497.642	3.801	50	40	JHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(N2CCOCC2)o1	408850582	OLHCUANLNRMYCI-AUWJEWJLSA-N	452.312	3.887	50	40	JHGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408989010	GNARQALQYFLLNL-LFIBNONCSA-N	473.474	3.538	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	409156232	NIMHVFDJDNUZLO-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(OC)c2o1	409243926	ZBECXSNECRXOQV-ZMOGYAJESA-N	488.338	3.813	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1	409273607	ZKSWEDALSNSCRO-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC	409309017	ABRMCNQFXXXJLD-XYGWBWBKSA-N	484.530	3.634	50	40	JHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	809190	XLPTVSWTSNDCSJ-WSDLNYQXSA-N	451.284	3.513	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567764	IFFBBZAPEOKIEP-SANMLTNESA-N	472.907	3.918	50	40	JHGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccccc1O	16805009	UMCUUALVKXIWBU-ONUIUJJFSA-N	458.547	3.976	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1O	19926320	UHBAASRBOJJQPK-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	20059701	VLQBWNJJCBMRJW-JJIBRWJFSA-N	482.518	3.694	50	40	JHGB	
C/C(NNC(=O)c1cccnc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288103	DZMOOVPWVDMKIN-HKWRFOASSA-N	454.515	3.651	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	28217692	VGUBGBQCTWGTQO-AWQFTUOYSA-N	468.329	3.758	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(OC)c2)c1	408754422	KHUXIUOULMATNU-WUXMJOGZSA-N	450.232	3.560	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026298	LHERJQCXGPQDOD-STPJHCLOSA-N	481.530	3.512	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1	409116761	MEZRZLIGVRQXQM-OVVQPSECSA-N	478.574	3.933	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	409251200	UAQJUMUNKVMMSA-DHRITJCHSA-N	463.563	3.662	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c2ccccc21	409344259	INSHKUJEKPJINQ-LSFVIGSVSA-N	484.581	3.614	50	40	JHGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H](Br)[C@]2(O)C(C)=O)C1	4896578	DHFXZXVWFURDJS-UDHGNGJMSA-N	469.416	3.833	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1ccc([N+](=O)[O-])cc1	10039499	YLLFABCBEWRRJX-VULFUBBASA-N	495.488	3.972	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	19949223	SYHZZPWLIWNJRV-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	58925333	RVZGTDACFARHSR-ZVHZXABRSA-N	487.603	3.728	50	40	JHGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	59383014	OZTBXVVADAQHAG-FYJGNVAPSA-N	478.393	3.856	50	40	JHGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408736989	KMRRHSALZMPZAE-UJBXUPAJSA-N	474.517	3.723	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(Cl)c2)cc1	408766682	DWSLFCOHLATJNT-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967895	VPCHYBJQMKRSSY-JVWAILMASA-N	460.559	3.588	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1	409129610	UWNCEXXHHYVIDW-OALUTQOASA-N	489.475	3.815	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2)c(C)c1	409143835	ISCHDYWPSOEZCD-CVKSISIWSA-N	465.575	3.659	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1	409252630	CSBPCZBAFQVADV-IPPBACCNSA-N	496.926	3.572	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	16309460	UITHTDIELCZPNE-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	33770407	CZQITZRKROVTOC-HXUWFJFHSA-N	475.417	3.546	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccn2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	35105124	GKYPTRDCNWTLQJ-DICXZTSXSA-N	464.591	3.656	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1	58853392	HZQIWLUMWVQFCL-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)C1	102974234	ORIAPQJRNBGVEA-YCYFYPMKSA-N	474.539	3.541	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)c(C#N)c1C	408546282	FVJDJQLXSGCRGB-FJJYYWMZSA-N	460.515	3.705	50	40	JHGB	
O=C(NN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640706	BPCWKWJPGMNCEB-CKIJPRSSSA-N	498.986	3.560	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1	409016013	UAADWGSONFXOFP-UHFFFAOYSA-N	494.979	3.749	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	409063586	CSXANPBMACXPRU-XDJHFCHBSA-N	462.483	3.787	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2cccc(Cl)c2)cc1	409125152	CJBAXAFEMJIMRE-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1	409258553	XJSZALWHWNOAIF-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOC(=O)C1=C(C)N2C(=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1)SC[C@]2(O)C(C)(C)C	2231155	LBIQUSKUSUEYSU-DVECYGJZSA-N	456.564	3.926	50	40	JHGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	4063922	YVJPCFUSYNZEBS-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1ccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c(OC)c1	6166663	WBHBQLHVVROLCJ-RAWMCFOBSA-N	462.531	3.601	50	40	JHGB	
N#C/C(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1\NC(=O)c2ccccc2N1	20961960	RCODSXVLPWKIRQ-ZZIIXHQDSA-N	477.568	3.553	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1	408766610	DLXDUCPUGAOKJK-WGOQTCKBSA-N	468.554	3.546	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC	408981194	VEYHBUQAQDLXFA-XLKFHUSGSA-N	461.518	3.724	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Cl	409230929	HAHZMZBHJWZXRR-GZIVZEMBSA-N	471.366	3.585	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1	409258333	UMPHIIYZQALEJX-OKCVXOCRSA-N	486.572	3.704	50	40	JHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc(Cn2cncn2)cc1	9422160	ATJNCSVQTINPRY-OYKKKHCWSA-N	477.528	3.555	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	20347478	SKBOALORHBSOEY-OAQYLSRUSA-N	458.536	3.512	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC	31875879	GWGDQLHCJHABDR-DICXZTSXSA-N	488.569	3.954	50	40	JHGB	
C[C@H]1CCc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)nc2C1	97961175	JXTDOPMGIPAMGK-ZDUSSCGKSA-N	476.451	3.989	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)sc(N)c1C#N	408723833	SLYXEYRPGBABRD-PTXOJBNSSA-N	458.135	3.505	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1	408778266	RVKRVNPPQBKHFS-NLRVBDNBSA-N	465.575	3.993	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	408906246	BEDMHNFKVPNWSM-VNSNFZHPSA-N	462.550	3.910	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)c1	408973044	YBKVFHASOHLPGX-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1NC(=O)c1ccccc1	409218261	ZTJLIBYHWQDISV-VUTHCHCSSA-N	466.541	3.875	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	1454551	HNRUJFQBLNKUAU-DHRITJCHSA-N	464.938	3.931	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1	8780752	BROFAQZJPWGLSE-ZVHZXABRSA-N	460.372	3.829	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1Br	20211544	XQWPPYWODQIHGJ-FBCYGCLPSA-N	483.171	3.574	50	40	JHGB	
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	20259253	UVCITWDLCJKIDQ-SNXNUMJZSA-N	490.535	3.957	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2OC)c(C#N)c1C	408546685	MQZJHKVGCNVSDV-VIZOYTHASA-N	454.504	3.849	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccccc2Cl)cc1	408779855	MIJYAYPDMYLAIP-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408799497	ZHOMPZBIFZDSQB-MHWRWJLKSA-N	487.306	3.723	50	40	JHGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408837914	PMJVLMOZKOUKKI-TURZUDJPSA-N	456.546	3.544	50	40	JHGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408988638	FDIYNOHTVFCNKP-GTENMVSRSA-N	466.519	3.528	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1	409130121	LVHVZMXTNGIHPD-RTWAWAEBSA-N	463.559	3.722	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O	409211902	PBVKKPNFJGRCFM-ODCIPOBUSA-N	487.759	3.817	50	40	JHGB	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	3427231	JBIHXJFHSFCGRO-UHFFFAOYSA-N	477.502	3.603	50	40	JHGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1	3642165	FPQYYRRTBSRGKS-WOJGMQOQSA-N	482.920	3.997	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	19926308	IUUAKSGSRJPTIG-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	19951691	FWFGLJOCXIHBES-PCLIKHOPSA-N	470.982	3.752	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1O	59419200	OJLWLPVVJCUIAY-KEBDBYFISA-N	458.683	3.742	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	107976425	SPWASPKLUBIEPO-QRVIBDJDSA-N	495.404	3.905	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1OC(=O)c1ccccc1Cl	1445336	CPXQWENNAQVNNH-MZJWZYIUSA-N	463.877	3.969	50	40	JHGB	
COc1ccc(Br)cc1/C=C/C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	12264926	DHORIODFHAUUCO-DHZHZOJOSA-N	482.334	3.905	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)c1	14920192	JTNJQGDKPNGEBZ-ZVHZXABRSA-N	478.343	3.674	50	40	JHGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	20213587	KLSSZYRGACCXQQ-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1OCC(=O)Nc1ccccc1C	408609449	JSZYRFPGWKBVQT-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC	408724697	BAHIVGYKQLUJCJ-CIAFOILYSA-N	450.289	3.848	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1	408795864	WKLYKPAJBGPPET-CXUHLZMHSA-N	472.881	3.623	50	40	JHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1cccc(Br)c1	408828618	IDTDDDFTQBASOG-PTNGSMBKSA-N	493.317	3.843	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC	710816	DBQMBCKJRGTQQJ-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
COc1ccc(/C=N/NC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1Br	1735452	MSYZQQIRQSOMSS-VDEHPEQNSA-N	484.148	3.896	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OS(=O)(=O)c1ccccc1	2078298	JPKCUNFDYGHOLM-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(I)cc1	8812656	ZEUAOROETMWKFO-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc(OC)c1OC	9013742	BKRCGPPCLPJNHH-INIZCTEOSA-N	471.510	3.562	50	40	JHGB	
CCCCCn1c(=O)c(C(=O)N/N=C(/C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	9514078	PBLCXWPMMATYBE-MBTHVWNTSA-N	474.517	3.598	50	40	JHGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	16489011	RWUYOBYBAAYZJA-NBVRZTHBSA-N	451.324	3.607	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1)S(=O)(=O)c1ccccc1	19937042	IKUGDYOTZUAWBS-KOEQRZSOSA-N	465.531	3.546	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1	20209854	QFBVNSWZCZLNDO-ZMOGYAJESA-N	486.391	3.617	50	40	JHGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@H]1CCS(=O)(=O)C1	27018043	WWLHVOYEBQZQKR-FCKOQQNDSA-N	482.565	3.903	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cs1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	36288368	SJLZUGZJUQNGRI-SSDVNMTOSA-N	467.352	3.976	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2)cc1	409314145	ROTLQADJLRLUOQ-IBGZPJMESA-N	453.589	3.805	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953109578	ZZWSOJHWMKIKJE-FCHUYYIVSA-N	469.654	3.883	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC	1783886	DELXFYQAIPERCB-RPPGKUMJSA-N	462.531	3.601	50	40	JHGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(Br)cc1	1958343	QHUJWRMLUGJVBP-RGVLZGJSSA-N	459.329	3.637	50	40	JHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1	8763870	KBUPGIOFKNEDBX-ALCUREISSA-N	489.528	3.666	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	12362294	YGLQGJFQKZKIHU-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	13062876	NDPAPEYVBFYRFX-ROUUACIJSA-N	488.544	3.854	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1	409155693	MBJISAPMEPHPJS-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(F)cc1	409163948	ADMIXSXABSGZCJ-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409255258	HMTIDALSJSOOBP-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1	863800	NEIXPMLTFKDTRB-MFKUBSTISA-N	457.515	3.875	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)c(OC)c1	8397055	IUWNQBWLCXMBPA-VULFUBBASA-N	480.594	3.644	50	40	JHGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/NC(=O)Cc3nnc(N)s3)cc2)c1	8916240	HEVHPPKKPUAPAJ-AFUMVMLFSA-N	453.568	3.703	50	40	JHGB	
CCCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	9882452	PHGAOBICWLTNQH-UHFFFAOYSA-N	494.404	3.980	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)ccc1O	19951566	CLHYJZCVYYXYFZ-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(Cl)cc2C)cc1	20206877	ZKJYVSRVVUUTIG-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	100959309	XWMVFTRZBFYBJF-CIPMJJFUSA-N	496.972	3.698	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408614239	ABZRMOFBJAJHJE-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCc1ccccc1	408614727	GWGAQZAGMOVSPQ-JFLMPSFJSA-N	475.973	3.699	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C(C)C)cc2)cc1	408874617	COUSYDAAUDDBPX-WGOQTCKBSA-N	450.564	3.859	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1	409272755	SFYHBODKVTVUAF-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1OCC	3067322	QLTYTONEJDNEKN-BRJLIKDPSA-N	450.322	3.723	50	40	JHGB	
CC1(C)[C@@]2(C(=O)N3CCOCC3)CC[C@]1(C(Br)Br)[C@H]2Br	4285581	MGCRERZVHHMPKR-FZQKWOKYSA-N	474.031	3.531	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)o1	10214140	BAZBEEVGGJHVJS-UHFFFAOYSA-N	483.590	3.747	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(OC)c2)c(OC)c1	13305680	RXGSLNRBYGNCIZ-SERGHYIJSA-N	489.528	3.642	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(Br)c1	20209746	RFPFHERRWDHWKX-ZMOGYAJESA-N	486.391	3.617	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc2c(c1)OCO2	33445258	JFQUJTIGXMVSID-LGJNPRDNSA-N	461.474	3.725	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c1	58915280	RTHPKDGYCDPECY-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226393603	HURKDGJKHYMIHD-IIHWMTQVSA-N	463.553	3.631	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408768043	SILBJNUDQKWUFP-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2)c2cccc3cccnc23)cc1	408822876	ZZUPLCCHVRCGQQ-PKAZHMFMSA-N	458.543	3.889	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc([N+](=O)[O-])cc1	409118352	PFJNTOVSYWXQOX-JJIBRWJFSA-N	466.519	3.882	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(OC)c(OC)c1	1250457	ZDMYFECKEIDFAQ-DHRITJCHSA-N	464.551	3.706	50	40	JHGB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3Cl)C2=O)c1	8819220	SGJPEVYZCRWVNE-QGOAFFKASA-N	490.006	3.791	50	40	JHGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)C(O)=N2	9585111	BFXIMTVZUPIEQK-UHFFFAOYSA-N	454.533	3.901	50	40	JHGB	
CCN(NC(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccc(C)cc1	13112185	BJPRFKQKUSULBI-JOCHJYFZSA-N	493.633	3.979	50	40	JHGB	
N#CC1=C(N)OC2=C([C@H]1c1cccnc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	20558461	CZOGMMZOAZBEAN-NRFANRHFSA-N	460.490	3.747	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	59333053	BLJWFYPAJANHDY-RGEXLXHISA-N	480.362	3.725	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1	59417050	KXCPYKRXAKRUIA-OEAKJJBVSA-N	466.544	3.573	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1O	59921161	LYOUSBDRBBXYIR-DJKKODMXSA-N	489.107	3.922	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	408759498	GCQUNCKXNVEKRP-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OC	408805902	IEQYMNJRTFSWKQ-MHWRWJLKSA-N	462.287	3.574	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408812059	AZHZCENFVFIOHR-QRXLRCHTSA-N	451.328	3.850	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	408827357	GUIMHKADWKVLLK-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1	409018274	UIUBAOFHMZEGND-QYJQOTDOSA-N	467.566	3.540	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1	409116750	MAUIDTXYTIDOEZ-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C	409157276	POOIXTPFXSDWGM-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1	409249580	JVSVFEIKGYARKP-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)N/N=C/c2ccccc2)n1C	673406	IQQIYKHVRZUCQB-OFJBCHTGSA-N	473.400	3.993	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(OC)c(OC)c1	2321317	PGYLEZTXBNTVNC-AGPUXGRSSA-N	451.552	3.890	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)c1	2648288	DJSKLOWLHYBICX-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	2744339	KPTJGFJMFSDVRZ-FBCYGCLPSA-N	475.524	3.659	50	40	JHGB	
Cc1cccc(OCC(=O)N[C@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	8461756	DHKFLACBAOPGMB-VEMXNMSTSA-N	464.478	3.505	50	40	JHGB	
COc1ccc2[nH]c3nc(SCC(=O)NNC(=O)OCc4ccc(C(C)(C)C)cc4)nnc3c2c1	13471306	XXNOYXRJUBGSEU-UHFFFAOYSA-N	494.577	3.862	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OCC	20209046	NECZXAWZSFPNJZ-PCLIKHOPSA-N	475.611	3.914	50	40	JHGB	
COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1	20219015	PFKGKXPDZUTGDI-RDGATRHJSA-N	451.530	3.629	50	40	JHGB	
CCCCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1	39984916	WZKBVBQXGPTVPL-UHFFFAOYSA-N	467.957	3.620	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3O)c3sc(=O)n(Cc4ccccc4)c3S[C@H]21	100921578	TZTCJMPXWLQKTC-RJQKVZOFSA-N	491.590	3.852	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(/N=C/N3CCOCC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC	101107799	JRUSUBKMUKESOS-TVYAFPLLSA-N	451.523	3.556	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(F)cc1	109019001	HFJMRFYDECGPRI-WGARJPEWSA-N	480.452	3.914	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408648788	KGFKIDCWMGFKRW-KDOFPFPSSA-N	478.860	3.519	50	40	JHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)cc1	408792199	JLHPBHHGFXNUNK-OQLLNIDSSA-N	476.270	3.863	50	40	JHGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I	408794222	IOLNTEASNGDRDQ-MDWZMJQESA-N	474.214	3.647	50	40	JHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1C	408854621	AGXMWPXTGACITL-KKMKTNMSSA-N	462.506	3.670	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	408937568	GVHIPRZJPSNGOK-ROTLSHHCSA-N	455.898	3.983	50	40	JHGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c1	409094437	DDVZQPVGTNFLKS-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1	409119322	SWYGEDGWYZOMJO-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1	409154926	HTQOBGGRFLFREZ-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1ccc(N(C)C)cc1	880459	VNJRLODSLQFAII-SRZZPIQSSA-N	451.308	3.503	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3)nnc2-c2cccnc2)cc1	1479554	JMZYTQJJVVKCHD-JFLMPSFJSA-N	488.573	3.979	50	40	JHGB	
Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c1	2655329	ZEOPPMMLMWARGE-UHFFFAOYSA-N	471.538	3.932	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C#N)cc1	9373382	NSULEDVKXMQBHV-ZXVVBBHZSA-N	460.559	3.841	50	40	JHGB	
O=C(COC(=O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3)NNC(=O)c1ccco1	9960063	PHJQODNXGUPYSG-UHFFFAOYSA-N	494.554	3.542	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C	12923675	KNNJPZMJTHQAAR-MFKUBSTISA-N	462.594	3.556	50	40	JHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	16575431	PDHQJACWQKQYLN-FOKLQQMPSA-N	478.412	3.736	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1	20060221	TXLNDHPWSQLZJX-AFUMVMLFSA-N	485.949	3.768	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(C)(=O)=O	20210497	SZMXLAZQHQRKRP-WPWMEQJKSA-N	495.601	3.889	50	40	JHGB	
Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(Br)cn1C	36396524	RKNILVXDPHZWQV-UHFFFAOYSA-N	479.718	3.670	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732160	OTZJKFSPPNCDQP-LGJNPRDNSA-N	473.514	3.998	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)cc(OC)c1OC	1022160	BHAWLMZZPNFMRS-UFFVCSGVSA-N	453.358	3.858	50	40	JHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1	2551647	VBENFEATJDEGMV-OVCLIPMQSA-N	476.533	3.735	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	9988588	LAIQAMKJYXJKOZ-CWZJEYLYSA-N	482.846	3.800	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)cc2)cc1	58872901	VDNJPIQVTZPURG-MZJWZYIUSA-N	471.517	3.741	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)cc1C	58915278	YKCNFTRVUAYBIV-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)c1	408760382	XQYPHQQCPVGYDP-NTUHNPAUSA-N	464.259	3.863	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OC	408805066	CZCGZBIIFXKYEQ-KPKJPENVSA-N	452.223	3.993	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1	408906284	FKFZREUFBYJZHQ-UMYHVIPVSA-N	458.367	3.697	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	408926682	VYFXHICAQJDLBU-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	409026438	OWOFXHQSTWTNBF-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409169926	RHEXIHYHZAMQHP-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	9714431	UHXTUQZVTGPKSZ-GOSISDBHSA-N	460.534	3.699	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c(OC)c1OC	9948699	QVJWVQJNYIODFK-KSEXSDGBSA-N	473.873	3.532	50	40	JHGB	
O=C(COc1ccc2ccccc2c1Br)NNS(=O)(=O)c1ccc(Cl)cc1	12360341	UYULJMQJNMLMGX-UHFFFAOYSA-N	469.744	3.644	50	40	JHGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cc1	13959914	SAUVTZBOKUCUTK-UHFFFAOYSA-N	498.517	3.883	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)S(C)(=O)=O)cc1C	20059260	KTUDDRUKQMDQAX-CVKSISIWSA-N	479.558	3.732	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(C)(=O)=O	59401581	SZTDYJXBBOOFKJ-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)c(C(=O)OCC)c1C	408545979	BERRHRPDGVUALJ-OQLLNIDSSA-N	457.504	3.843	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1OC	408726996	OEOBUTISLFZPHT-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408745791	PDONNHISXHJCAM-GDNBJRDFSA-N	459.296	3.945	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408864576	XSRQYBOTZVWSLJ-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(Br)c2)c1	409227908	XERIIYJEJSDODQ-AWNIVKPZSA-N	493.155	3.930	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1)c1cncc(Br)c1	1435242	IMIPLSNBEOIPEY-FOKLQQMPSA-N	469.251	3.735	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)O[C@@H](CCCl)C(=O)c1ccc(F)cc1	8923206	MLTAOUIQYIXOOB-CNEDJULTSA-N	497.950	3.974	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC	9202404	JRLFTLRBBXYVST-LPYMAVHISA-N	462.287	3.774	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1O	9435152	GKKWMBDBURDVNP-LPYMAVHISA-N	475.286	3.950	50	40	JHGB	
CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccco4)n12)CC[C@@H](C)C3	13502549	PTKVPDJVGQUDOF-GFCCVEGCSA-N	484.607	3.734	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC(=O)OC)cc2Br)c1	30798248	WZWANFQATFGROI-NVNXTCNLSA-N	489.322	3.954	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1	408797591	SACHSPNHYRBZBG-OQLLNIDSSA-N	473.279	3.635	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(C(F)(F)F)c2)cc1	408864780	ZWZKIAIJBOYMGR-MZJWZYIUSA-N	476.480	3.754	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1	9233129	KUQTWVJFOCKWQU-HXLYRSSUSA-N	472.545	3.648	50	40	JHGB	
CC(=O)OCC(=O)[C@@]1(OO)[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@@]21C	70692406	VZKVPNVMKJHQHX-CKEYTEJKSA-N	488.577	3.689	50	40	JHGB	biogenic
CCN(CC)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	100501188	CYLJMNPOJQPAMH-JQVOGXOBSA-N	470.205	3.815	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(O)c(Br)c1	105362673	AEAUARWAHUMGLV-LSCVHKIXSA-N	457.078	3.518	50	40	JHGB	
Cc1cccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1	408529991	KQYGWITZWKXSIL-LFVJCYFKSA-N	498.583	3.864	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c1	408824823	AXWHTLWVVUVYKO-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1ccc(F)cc1	408840403	FTVLENWRLGQECE-UVTDQMKNSA-N	466.856	3.873	50	40	JHGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)ccc1OC(C)=O	409219575	OEOJSIOVTXUXFU-UHFFFAOYSA-N	481.892	3.601	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1	409337970	AKQOTNCDSRPVEO-UHFFFAOYSA-N	476.602	3.650	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OC	1253660	QCSNPDUUFLLQFZ-JFLMPSFJSA-N	488.569	3.954	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)cc2)cc1	2202954	UEVQPNWZMVXSBM-RWPZCVJISA-N	494.515	3.551	50	40	JHGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(OC)c1	3144516	PYUMGXOQBRKDNG-RLIYSTCDSA-N	472.545	3.691	50	40	JHGB	
O=C(/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1ccco1	6092983	PAKRPITYVIXNMB-DHZHZOJOSA-N	479.436	3.574	50	40	JHGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C)cc1	9670215	RPSSYQYGWNKAJQ-LDADJPATSA-N	492.557	3.742	50	40	JHGB	
N#CC(C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)=C1Nc2ccccc2N1	9712187	TXAAAKPLZRUQBE-HNNXBMFYSA-N	459.531	3.509	50	40	JHGB	
CCCCOc1ccc(C(=O)NCC(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1	11617463	YZXJSIHFTQZSDQ-UHFFFAOYSA-N	469.394	3.920	50	40	JHGB	
COc1ccc(C=NNC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	12082390	BPIXBFINZJMHSJ-QGZVFWFLSA-N	456.502	3.792	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567655	YVIVITVBANGUIX-MUUNZHRXSA-N	466.516	3.901	50	40	JHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1cccc([N+](=O)[O-])c1	15911863	WEANVMCSMNNJOP-SGWCAAJKSA-N	471.561	3.842	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OC	33304951	ZSSSTWDCXKHYOD-JMIUGGIZSA-N	450.232	3.819	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408567445	DXIPGACRXHMRHU-ZMOGYAJESA-N	490.603	3.645	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1	408773009	OMZZSYUAVUYITB-BRJLIKDPSA-N	459.289	3.605	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	408786028	FHWUVVYJJDTPGL-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408970533	AZCMESFHPXIZIK-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(I)c(O)c1	408999623	XAFKNRYIYWXTSX-GIDUJCDVSA-N	451.083	3.585	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1OC	409013422	NHITYPBIAJCBLR-JVWAILMASA-N	477.517	3.884	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409164992	QRXXBVUZXWEPJT-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	409312629	FXIDQLPUDVRLTO-YUMHPJSZSA-N	477.517	3.884	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)n1	409377955	LBCZCQWIQQPCHW-LGJNPRDNSA-N	477.590	3.970	50	40	JHGB	
CCCCNc1sc2c(c1C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)OC2	1897869	FEOHTNOCNUDQEE-UHFFFAOYSA-N	460.556	3.723	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cccn2-c2ccc(O)cc2)ccc1I	4107979	MPCARBIWCZVXIS-CIAFOILYSA-N	461.259	3.560	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19948760	XURPTNVTDYCXOJ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	20214066	KZFDGQOWLTVVDF-OVVQPSECSA-N	494.573	3.744	50	40	JHGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58872829	CBKDGMRVZTXAPR-WKULSOCRSA-N	489.963	3.798	50	40	JHGB	
O=[N+]([O-])c1cccc(-c2nc(P(=O)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)c1	102580417	UXUYPOWWZWSILF-UHFFFAOYSA-N	475.441	3.726	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1	408863679	OLVUDYNLVBDVHA-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408882671	PZOPPRQYMINPFO-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccccc21	1474640	WAQWFAKRRKVGKL-UHFFFAOYSA-N	489.948	3.547	50	40	JHGB	
Nc1ccccc1C(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21	9908354	QCOBLMTWVSPLLT-YYADALCUSA-N	463.335	3.755	50	40	JHGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2F)nnc1-c1cccs1	9958904	GCTLPKJHXKTMSZ-UHFFFAOYSA-N	483.550	3.697	50	40	JHGB	
C=CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2cc(Br)ccc21	12463848	RWZPRDOKUIAGTG-GFMRDNFCSA-N	450.292	3.975	50	40	JHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567745	KRHUNYUQXVJHIE-RUZDIDTESA-N	457.921	3.727	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	13959343	PLDUHJHYTCPVQD-WBVHZDCISA-N	472.402	3.769	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc(OC)c1OC	16195186	JLVVBDQAHCJYPI-WYMPLXKRSA-N	477.355	3.883	50	40	JHGB	
CCOC(=O)/C(C#N)=C(O)\C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(NC(C)=O)cc1	104240733	AXGLAAUTYJNZDN-IHBSRWQLSA-N	453.882	3.968	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	408786999	ZPFNCBNSTKMRIS-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
COc1ccc(NC(=O)N/N=C\c2cc(Br)c(I)o2)cc1	408852314	JKVVHYYQXWXPIH-APSNUPSMSA-N	464.057	3.811	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408914127	VMPRMFJIZFLMKV-XAOCGEIJSA-N	464.478	3.971	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	408922059	CYMXRSOCCFIQSW-XDJHFCHBSA-N	461.499	3.958	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1	409163087	LSBXGKMJFWNRGB-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
Cc1c(/C=N/NC(=O)CNC(=O)COc2ccccc2)c2ccccc2n1Cc1ccccc1	9264738	ZMKJJNIVXRVYQR-MUFRIFMGSA-N	454.530	3.643	50	40	JHGB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCBr	9678952	AVUBVWISVADZKM-ATVHPVEESA-N	489.322	3.534	50	40	JHGB	
COc1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c2cc3cc(Cl)ccc3n2C)cc1	9850091	DEFXQHSZWIGXGE-CQSZACIVSA-N	456.930	3.656	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1	12564528	ZEOJHHVFAGJGOM-UHFFFAOYSA-N	452.496	3.760	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1ccncc1	35409505	IELCQNVPYSPSDG-MXAYSNPKSA-N	477.373	3.730	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	58853360	PCQYLHGKSWTYFU-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	169880050	LWEPXHBYBZUHEA-QGMBQPNBSA-N	457.078	3.892	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc(OC)c2OC)c(C#N)c1C	408547148	SDGFQOIIYJPAST-NSIKDUERSA-N	469.475	3.749	50	40	JHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	408775337	SHDRVFNWZNOUCB-OGLMXYFKSA-N	461.587	3.975	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC	409264297	DJJFJOORKXYMFN-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)n1	1093298	QSCJOQQWQJVROR-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1cccnc1	1300871	GFNKCYQEEDNLJR-DHRITJCHSA-N	494.374	3.786	50	40	JHGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)N(C)CCOc3ccc(OC)cc3)cs2)cc1	9578186	FONUTZDMFZYHCT-UHFFFAOYSA-N	454.552	3.746	50	40	JHGB	
Cc1cccc(-c2nc(CC(=O)NNC(=O)[C@@H](C)Nc3nc4ccccc4s3)cs2)c1	10675351	JGSZBRKSKYSWEF-CQSZACIVSA-N	451.577	3.919	50	40	JHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	10729081	GDRHLNLLOVBKKE-JTQLQIEISA-N	490.137	3.528	50	40	JHGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	13689805	LKINIYIINJWXBB-LUDQZLGDSA-N	492.626	3.862	50	40	JHGB	
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C)cc1C	14248992	UESKXIGSSPFIIP-SFHVURJKSA-N	468.406	3.923	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1OC	20240514	QJPBTNXFAMQBKY-VUTHCHCSSA-N	488.588	3.799	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1	58853375	HQYBOQWMAZRVAA-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(I)c1	59371316	TUYWBBCPQVSPKW-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1cc(OC)cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1	112297337	GCYMLNHKPQWXMJ-KQWNVCNZSA-N	474.492	3.802	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc(OC)c1OCC(=O)O	408848965	XLFJYSMIKAVENH-JJFYIABZSA-N	462.300	3.805	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969179	IQRIJWPZPCSPLL-WTFDWONZSA-N	467.566	3.628	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1	409129854	HLQPCTJAVMMIGV-WGOQTCKBSA-N	479.558	3.512	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1055802	LTIXIIDVMUXHCU-VULFUBBASA-N	477.473	3.969	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1	2355049	DJZLKIQIUMWXFR-WJDWOHSUSA-N	463.943	3.532	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c2C)cc1	8826371	NBLBCNBZJVOZNP-CIAFOILYSA-N	487.512	3.598	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCc3c(C)nc4ncnn4c3C)c3ccccc3n2)cc1	17198249	SCUNZUDTBCLYNC-UHFFFAOYSA-N	479.544	3.659	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc(Cl)c1	20059862	WTKXCSDLIIBZDP-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20209362	PUTLUARNTPSDEU-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21284768	IYKPAUSUTBSEDH-UHFFFAOYSA-N	474.461	3.756	50	40	JHGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4cccc(Cl)c4)c3)c12	22754369	VLJWGZGBTLKQEF-UHFFFAOYSA-N	495.012	3.684	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1O	33352597	UOJUYNWHVRFLQJ-ATVHPVEESA-N	456.340	3.809	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)o1	33710940	NJPMTMDNYGUCMP-RPPGKUMJSA-N	451.479	3.744	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	59436949	KFBUMRDZNJFRJE-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OCC	408866629	HHPKVAUEVOCYTH-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1	409173180	HFPMONGSDGPRCA-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)c1	872846	AUVGBWCQGCDANY-CJLVFECKSA-N	470.573	3.968	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	1479200	USYZMPJXSFSAKD-DHRITJCHSA-N	464.938	3.931	50	40	JHGB	
COCCNC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Oc3ccc(O)cc3)cc2)c2ccccc21	6136189	KVJLOFUTHBNXJK-MUFRIFMGSA-N	486.528	3.666	50	40	JHGB	
O=C(/C=C/c1ccccc1)NCCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	12816006	YZDMRFAAEQELAD-OVCLIPMQSA-N	477.948	3.900	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(OC)c1	15945928	HJMHCQNPSFQLRK-MRKHCSQQSA-N	452.338	3.915	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	19951598	IHWJBNAAIBYSLS-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)S(C)(=O)=O	58853461	MHPAMNXVZRYWKZ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1	408614466	CNPHIBSZLOOBBL-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OCC	408912369	PZMNVGWOBNBWHW-WGOQTCKBSA-N	456.539	3.817	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccccc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027798	HMYIHTCDQGPTOX-XUANBZSPSA-N	455.511	3.923	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1	409063316	KLYZWIGDVJQTLZ-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1	409175644	UDDHJPWFVCEBIZ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1cccc(Cl)c1	409258067	WDEQRRMZELBFOT-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C	409272418	QCSRLHBDAULXGZ-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC	660080	YJOSXKUNONZXJW-UPVQGACJSA-N	495.539	3.766	50	40	JHGB	
O=C(N/N=C/c1ccc(F)cc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(F)cc1	3088434	YPGQFIDQSMSFQT-VNRWOIRSSA-N	477.427	3.557	50	40	JHGB	
COc1ccc(CC(=O)NNC(=S)NCc2ccc(OCC(C)C)cc2)cc1Br	3187143	ITNMFHHRISRTDY-UHFFFAOYSA-N	480.428	3.731	50	40	JHGB	
O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1cc(Br)cc(Br)c1O	5838502	KOVHPMAQLHPRSJ-HUUCEWRRSA-N	488.563	3.682	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8721939	NXKGPYMSAUWFCJ-NQUDRAQSSA-N	468.422	3.506	50	40	JHGB	
CSc1ccccc1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	9665603	JVKDAWCBRURUND-UHFFFAOYSA-N	483.615	3.612	50	40	JHGB	
CC1=C(C(=O)Nc2nccs2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	12250128	YZUGRMVVDFPXAH-MRXNPFEDSA-N	484.588	3.899	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408910996	XZQXNUSWWDJZLM-FXZATJRASA-N	490.516	3.981	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	408973141	SFGLFOJUYVQDKO-JVWAILMASA-N	475.501	3.540	50	40	JHGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	409156775	TVPLKAPUBTZFDW-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1	409159449	ZZWSPVDMAFVUQC-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Br	12427801	DYPNJNFWQZWEII-SSDVNMTOSA-N	490.383	3.504	50	40	JHGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(CSc2nc3ccccc3s2)cc1	12948451	VKHXNQLSJLFTNG-UHFFFAOYSA-N	453.505	3.900	50	40	JHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3Cl)o2)c1	409165164	UDPJNALOYIJNDS-JZNDDVEWSA-N	497.935	3.811	50	40	JHGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21	8812974	PLPPCSYLJWDSHE-FOKLQQMPSA-N	458.312	3.658	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccccc1F	12250115	WXTPTCOQXUJJDT-YADHBBJMSA-N	481.549	3.888	50	40	JHGB	
CCOc1c(Cl)cc(C(=O)NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1OC	12507298	GVCPLMCJDYCVEP-UHFFFAOYSA-N	470.835	3.577	50	40	JHGB	
O=C(NNS(=O)(=O)c1c(F)cc(F)cc1Br)c1cc2c(s1)CCCCC2	12792001	HCCWIVPNSBPMOA-UHFFFAOYSA-N	465.341	3.681	50	40	JHGB	
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)c1ccc(Cl)cc1	14229560	WZEQDOFPJOIPJT-UHFFFAOYSA-N	461.902	3.663	50	40	JHGB	
Cc1cccc(CN2c3ccccc3C3=C([C@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558640	KOBKRPCAUXDZCS-JOCHJYFZSA-N	456.527	3.917	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	58880807	UTCCXCSTIGYVHY-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC(=O)OC	59333228	XGBTUZYPTMBAMC-UYRXBGFRSA-N	483.952	3.546	50	40	JHGB	
NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1	103666067	KLCANCMZDAZCCW-HSZRJFAPSA-N	489.484	3.673	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1	409026848	ZWXXTJUADYGSFE-TURZUDJPSA-N	492.601	3.943	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OC	409366333	UKBONHICIGMHNQ-UKWGHVSLSA-N	472.133	3.627	50	40	JHGB	
N#C/C(C(=O)CN1C(=O)c2ccccc2[C@H]1O)=C1\NC(c2ccc(Br)cc2)=CS1	3260028	IGVXKXJBIYECFX-XWMMGPHDSA-N	468.332	3.535	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OC	9668350	GOCHCJFXFOHETB-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567746	KRHUNYUQXVJHIE-VWLOTQADSA-N	457.921	3.727	50	40	JHGB	
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C\c1ccc(-c2ccc(F)cc2F)o1	16322226	XDPSVKJOQKAXKE-RTNLCPHNSA-N	454.462	3.831	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC	16692801	UBSYAYNDSUHGDJ-KOEQRZSOSA-N	473.595	3.568	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(O)c2)C2CCCCC2)c(C)c1	33768287	BICADKVSWPYBQA-MYYYXRDXSA-N	457.596	3.791	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1	58881419	YZLNOYOFMPTGKT-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	108145661	XBJGXDXJOSLIGX-DNTJNYDQSA-N	478.280	3.799	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1O	408758732	PZTDGEKBVDKTPW-LSFURLLWSA-N	478.208	3.717	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2cc(Br)ccc2o1	408943583	LPYCBDPOEIHNMP-WSDLNYQXSA-N	473.283	3.704	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)c1ccccc1	408979267	LXMNRIQZQFAJDX-WQGFDPGOSA-N	478.343	3.794	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)cc(I)c1O	409024101	VILKDDDIROYVRV-AFPJDJCSSA-N	481.677	3.728	50	40	JHGB	
O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1250211	FKXBDWIXDUUBPD-OOAXWGSJSA-N	487.368	3.852	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1C	1437674	HHERYGDARRTUCD-UHFFFAOYSA-N	481.144	3.680	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OC)cc1OC	8399022	MCQIFWBCXMEXCU-VULFUBBASA-N	480.594	3.644	50	40	JHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(CSc4ccc(C)cc4)c32)c2ccccc21	8442119	UCJSNYVRIOSCKK-VWLOTQADSA-N	455.543	3.915	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	9323491	BOLJQXZKNDYEKS-NUGSKGIGSA-N	459.218	3.784	50	40	JHGB	
C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)C(=O)NNC(=O)c1ccccc1	9955860	OLBDOHXLNNTQMA-AWEZNQCLSA-N	494.598	3.530	50	40	JHGB	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNc1ccc(Cl)c(Cl)c1	32999496	PQIJENGIMOLEKI-INIZCTEOSA-N	457.339	3.896	50	40	JHGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC	408580127	AKNXLLHGLXAMOF-MKMNVTDBSA-N	495.269	3.845	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1	408657790	HPMRZLKCJFUVLU-ZRNYENFQSA-N	489.355	3.905	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	408982788	FGYQDPODUSPNPB-RCLKMUNOSA-N	473.341	3.754	50	40	JHGB	
CC[Si](CC)(CC)O[C@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	584578718	BFEHWXCZKFZQCB-JSXRDJHFSA-N	469.563	3.584	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	726373	MXNAZSBZRBAQOS-CVKSISIWSA-N	464.474	3.704	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccccc2)cc1	1474434	OCQDOVFFMCPVOO-WGOQTCKBSA-N	458.547	3.970	50	40	JHGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(C)n1	2743366	BULAADBTQOJDDM-FSJBWODESA-N	456.959	3.642	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl	19951763	GQWQRYBPHKYJLN-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20213978	NORYCDVTIYNZET-NLRVBDNBSA-N	495.557	3.557	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(I)cc1	33957679	ZMKMJGQEMXTMII-ZMOGYAJESA-N	481.293	3.910	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc1I	149563390	QUFMKYBVRXEIBU-FJQWMWCYSA-N	483.313	3.898	50	40	JHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408567559	FPQJCWXVDBPYOF-SRZZPIQSSA-N	463.537	3.620	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccc(NC(=O)c2ccccc2)c1	408725821	IGKPYASENWPOOQ-ZTKZIYFRSA-N	456.546	3.925	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)c1	408832352	QHWAVZMGHMTXNV-HAVVHWLPSA-N	457.577	3.801	50	40	JHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1	409028923	UANQRHFLGILEHG-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1	409130124	LVHVZMXTNGIHPD-SFTDATJTSA-N	463.559	3.722	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	409159598	RHRDSIBFFZKRCR-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1	409185372	YANFODQMUULXDT-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCCCOC(C)C	2417992	GXCDKYDASHZASI-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1	3659016	MQHGIQBHJHNFLY-LPYMAVHISA-N	450.324	3.700	50	40	JHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)c(C)c1	8400365	CXESUBLODQLLCM-WYMPLXKRSA-N	493.354	3.711	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	107944813	PDYHIVNRULOHIE-QFEZKATASA-N	466.881	3.959	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1	108950390	HDGOKEZPZMPOSP-YSMPRRRNSA-N	476.489	3.622	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408743375	SLBHJPYYTWVEOD-DHDCSXOGSA-N	459.296	3.945	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(F)c1	408893623	HFVIHIXBZGYJIP-MKMNVTDBSA-N	466.250	3.800	50	40	JHGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I	408905187	UWKIHTYBSAWTIV-NHDPSOOVSA-N	489.225	3.722	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1	409004216	BFHBOWQDVNQWFX-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409027038	SHMYOAQPFBPCGH-WYZSWBMLSA-N	495.557	3.570	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)OC)c(OC)c3)cc2c1	409187696	TYBFPEPMDDBASH-MYKKPKGFSA-N	460.870	3.809	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])cc1	409224640	LBCSTNZSAOYENH-XGAOGLQDSA-N	490.428	3.894	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)ccc1O	2736935	GOQMQYIYJWJIBN-BSZFNXBBSA-N	489.528	3.729	50	40	JHGB	
O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)NNC(=O)c1cccc(Cl)c1	13148359	HENCGZIAKVNYJN-UHFFFAOYSA-N	480.933	3.872	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1Cl	19951912	CMYSLINOHXMMNS-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCC(=O)OC	20195273	ILIWIAYCBJLNHL-WYMPLXKRSA-N	477.355	3.709	50	40	JHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	59960167	NFLJZBRCTCLCIH-UEYIPHHSSA-N	492.963	3.993	50	40	JHGB	
COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2S)c1	102716185	FBYVRHIIGAYKFD-AQTBWJFISA-N	485.993	3.938	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409011238	NAVCRFRBHAHYKR-DICXZTSXSA-N	477.517	3.559	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2ccccc2Cl)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409061328	CZLAQEQJRPMHQX-BCHBDCPOSA-N	459.815	3.849	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409168026	KQRKXJLFLNOKTH-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1	712253	CBDATKILVFMVJZ-MRXNPFEDSA-N	456.252	3.689	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCCCCC3)nc12	2201050	MDRJGJNHWYABGZ-RELWKKBWSA-N	455.562	3.649	50	40	JHGB	
Nc1ccc(C(=O)N/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1	3082635	OFSHQVKTPCEUEK-CVKSISIWSA-N	490.497	3.862	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccc(Cl)cc3Cl)nc12	9346022	KXSIOYWTMSQGCG-RVDMUPIBSA-N	485.327	3.868	50	40	JHGB	
Cc1cccc(C)c1-n1c(S[C@@H](C)C(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	12811308	RTTBEUPGVZGNDA-SFHVURJKSA-N	472.570	3.944	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1Cl	20213011	ACOYRIJCKRPFSJ-DHRITJCHSA-N	455.967	3.817	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	102413832	GAQADEBEDCGXDI-UXHICEINSA-N	451.504	3.998	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	408615254	OBEHERMWMGDNGH-HNNXBMFYSA-N	458.356	3.561	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408748956	JNHFUCVQBLTPAW-PCLIKHOPSA-N	468.531	3.934	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)O	408982062	XLGHWLFJEYVPIV-YGYFLSRZSA-N	489.528	3.560	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1)c1ccccc1	408999916	UEDPTDKTTSCSJC-YXUUZYBBSA-N	478.343	3.881	50	40	JHGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	409256796	NILOTXWNXSEYAC-MTDXEUNCSA-N	488.544	3.972	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O	13922286	ITXGDIFCOZZFQY-ODCIPOBUSA-N	475.126	3.949	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1	17650862	GICCSWOEJWOSKK-AFUMVMLFSA-N	465.462	3.964	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(F)cc2)cc1	59427933	NEKRSIQHDNTDTR-YZSQISJMSA-N	453.539	3.518	50	40	JHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)O)c(Br)c1	101427679	GXVGLADGEJKRCO-ACAGNQJTSA-N	451.280	3.921	50	40	JHGB	
COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1	226336201	JBUXBJODMGBJGH-QPJJXVBHSA-N	458.683	3.535	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408768842	KEJPAPMAHUREJQ-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408791963	FUDUWQSADWGMFH-RIYZIHGNSA-N	475.295	3.651	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCC	409124036	GLVMRKFNIFLVLG-GOSISDBHSA-N	493.345	3.819	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O	2162881	NHPWGXJJKNBOMM-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1C#N	2300116	AHIFYDFJVPMJKN-KIBLKLHPSA-N	483.322	3.559	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2C)cc1	20060052	OFROYUUQVZDQQF-UHFFFAOYSA-N	496.976	3.625	50	40	JHGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	33643070	FFNBWFNGVKPUCZ-WGOQTCKBSA-N	463.515	3.771	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC	35229055	UTOOIWLQRVPENM-AUWJEWJLSA-N	492.269	3.942	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1	59922362	ZFCPMUSKEDNGRZ-CVKSISIWSA-N	463.490	3.737	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1	408612816	YVENFRYNKSLAIA-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)OC	408746967	ISQHAMYRQBTELG-GDNBJRDFSA-N	459.296	3.945	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccco2)cc1	408755647	RPSMWLOQELVYJC-CIAFOILYSA-N	463.309	3.882	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408779516	GAOYVZMGNVZUBM-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408833286	XNHONFCVTJSXOF-LGUFXXKBSA-N	479.558	3.502	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc12	408990196	NFQHGVHKUPAEHV-GFTMIHTRSA-N	485.544	3.949	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409172009	ATFZICWGISWNQZ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
C/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc([N+](=O)[O-])cc1	4398044	SXHYKXLQBWHTRC-MTJSOVHGSA-N	489.355	3.785	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16138445	BTXGMGFVPCEHCH-NHFJDJAPSA-N	477.586	3.635	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C1/C(=O)Nc2cc(Br)ccc21	16384791	VXZUNPBVOUIGES-UHFFFAOYSA-N	487.535	3.716	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1OC	20086279	MKRQWASRKHPBHD-KRWDZBQOSA-N	468.307	3.536	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1O	408782642	IGDBAJHVUYIINV-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)cc1	408829228	ONYNJELTWRTAAT-HAVVHWLPSA-N	457.577	3.883	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O	408847976	XLCTVILRDVKYFM-VROXFSQNSA-N	467.305	3.723	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408858214	NPCBLBATDWBDPZ-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409171985	AFICCXYMDKSRSI-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1	409265293	RXDCCAQSROPZQC-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C=CCn1c(SCC(=O)N/N=C/c2ccncc2)nnc1-c1cccc(Br)c1	2747498	OTDJARLDAUFQPT-WSDLNYQXSA-N	457.357	3.531	50	40	JHGB	
CCN(Cc1ccc(OC)c(F)c1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	9217415	GKNWPPFXJUNOSA-UHFFFAOYSA-N	460.506	3.902	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc4ccccc4c3)nnn2-c2nonc2N)cc1	9291945	XXHZWQVBDLNMGK-LQKURTRISA-N	496.531	3.996	50	40	JHGB	
COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1O	31879736	GCPHDEYJQNHQDO-WGARJPEWSA-N	474.542	3.651	50	40	JHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1	59334187	MUUVSSJAEXBDKX-NVNXTCNLSA-N	477.258	3.774	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408606789	AZZARWBVIPKFCE-BHGWPJFGSA-N	452.338	3.946	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1cccc(F)c1	408737552	DCJAWYXZWFGLIT-CNHKJKLMSA-N	463.044	3.662	50	40	JHGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408772547	MXSUYJPARDARMU-FAQINAJGSA-N	451.446	3.990	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408871067	XPDDLCFCHIPRGE-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1	409174691	NYFLGOHGJIQORE-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1	409184550	LUEZKYMNYGVUEN-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	409377588	IOLRRTGTGWJVFE-CVKSISIWSA-N	454.527	3.945	50	40	JHGB	
Cc1ccc(NCc2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc1	695250	LDKLKCPGGYCMFB-JFLMPSFJSA-N	457.563	3.825	50	40	JHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	1435401	GCXRPUIRQZOKFC-IFRROFPPSA-N	472.133	3.769	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2Cl)cc1	14922543	UBLXPKCUUMGHQY-NJRDNMGOSA-N	455.967	3.688	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2C)cc1	20059955	YEPYKSYBUANSHP-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCO[Si](C[Si](OCC)(OCC)OCC)(C[Si](OCC)(OCC)OCC)OCC	216676951	HPJWXNBFFXQERI-UHFFFAOYSA-N	472.800	3.677	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)c(Cl)c1	408925872	RLOTYUHWKRGFRO-FOKLQQMPSA-N	466.346	3.769	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)cc1	409166828	GTGTUCKLZOVKRO-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409258802	XRDIDEBJOFPUTM-OKCVXOCRSA-N	486.572	3.704	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1	409261758	DHILQUYIMFYNAD-FVRIDUAPSA-N	473.529	3.786	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	979580	NJVWPARKYPMGGC-UFFVCSGVSA-N	488.709	3.881	50	40	JHGB	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1C	9867333	ALHFYUBCNMHNTP-UHFFFAOYSA-N	451.552	3.608	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)cc1	9883842	CLNKOWCTNLGHIW-UHFFFAOYSA-N	479.514	3.707	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccc(O)c3)nc3ccccc3c2=O)cc1	16136621	LDRWNFHUPAYFGP-YUMHPJSZSA-N	474.542	3.732	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1	32576928	ZMDVGUFWWZCNHO-CEUNXORHSA-N	472.589	3.542	50	40	JHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	58915321	BADDZHZSBVYOIT-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1	408761326	DPWGVLCACFBLAY-OEAKJJBVSA-N	467.528	3.838	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1	408766674	WLTOPBNZZDGLME-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408798877	XBBBJKGKDDXWBI-MHWRWJLKSA-N	469.291	3.802	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccccc2)cc1	408922750	RZEPMISRTMVFSY-XIEYBQDHSA-N	467.547	3.527	50	40	JHGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])cc(OC)c1OC	409223610	IVPQGWXWVCNABQ-WGARJPEWSA-N	493.472	3.912	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1O	409224457	KFVCHGMNFCRVNN-YBEGLDIGSA-N	462.287	3.661	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1ncc(C(F)(F)F)cc1Cl	3442635	RHCOQOBGGXXNIK-UHFFFAOYSA-N	454.257	3.726	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccc(C)cc3)c3ccccc32)cc1OC	9187415	SVJRRADQEBJAEV-LVWGJNHUSA-N	480.524	3.754	50	40	JHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)c(OC)c1	15134668	BOFKOTPRBMGCNH-ZVHZXABRSA-N	478.343	3.674	50	40	JHGB	
Cc1c(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(Cl)nn1-c1ccccc1	16249540	ZYFGGXNRNPRLLQ-CVKSISIWSA-N	495.992	3.904	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)ccc1O	20240517	AEBCTLPQUCTIBC-VUTHCHCSSA-N	488.588	3.886	50	40	JHGB	
C[C@H](C(=O)N/N=C\c1ccc(Br)cc1)n1cnc2sc3c(c2c1=O)CCCC3	31858947	HTZIMSGQPLUHJW-MOQVIFSHSA-N	459.369	3.811	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	35302371	HPBULDUZVJGLFA-VYYCAZPPSA-N	487.339	3.931	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2)cc1	59515869	RGXNIKCXMAYMLT-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59921216	GUZPUZZFJHJOHM-DHRITJCHSA-N	473.904	3.910	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	104126732	QOCMYQOZBNKLBE-XHRIXCFGSA-N	454.354	3.701	50	40	JHGB	
COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc([N+](=O)[O-])cc1	409084119	WOYPQXCFRSETIX-QRVIBDJDSA-N	450.407	3.855	50	40	JHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	958302	OUYQWJVJAYYGGJ-YSURURNPSA-N	489.395	3.648	50	40	JHGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	20233114	IJILDKZYMSHZNX-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
CN1c2ccccc2C2=C([C@@H](c3cc(Br)ccc3F)C(C#N)=C(N)O2)S1(=O)=O	20558315	FWIBVQBKOIKVJL-INIZCTEOSA-N	462.300	3.544	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC	35059639	IYGZAYBPEFTOSY-OYKKKHCWSA-N	474.922	3.889	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)c(C)c1	58915211	RQZVRMODDBPNMD-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1	408612920	XLAZVFIOFJEDSX-RWPZCVJISA-N	481.936	3.703	50	40	JHGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3)o2)c1	409155982	SHEFQPCIZATJSL-FLOSOGMCSA-N	477.517	3.546	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	409184236	JJUXJTVOFIWOLP-HYARGMPZSA-N	482.400	3.544	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccco1	1477833	BPBVBCDNOXACKP-FSJBWODESA-N	483.347	3.984	50	40	JHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12915823	CGNVQIYDMBHAGS-UHFFFAOYSA-N	451.913	3.908	50	40	JHGB	
N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c([N+](=O)[O-])c1	16544891	OIZDYRLGCINWJF-WJDWOHSUSA-N	459.443	3.900	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20059931	YOTCZYUWTARDMA-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(F)cc1	20211904	LTHNBNIHWBATBG-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1	59472804	IXQHNMMPOZEOSE-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1	103858036	ZEKPDEJQUMXFFE-JKYRBGINSA-N	490.604	3.799	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1-n1cccc1	408749980	VTGXKVCGRPWAOP-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1[N+](=O)[O-]	409118604	OOLUXCZFPMEGEJ-BUVRLJJBSA-N	482.518	3.501	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c1	409153926	OARBTNWBNRALHR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(CC)cc2)c1	409273268	WSSBEOIYHYKMMW-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OC	409327218	RKORINRHRHJNAW-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)cc1	842712	FLCQDCHRKMSEEY-DEOSSOPVSA-N	459.502	3.836	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1O	1187431	GMRQVHNLEOLTLM-DJKKODMXSA-N	489.107	3.922	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	1279131	ULHYIRCDHFRRLP-DHRITJCHSA-N	464.934	3.987	50	40	JHGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1ccccc1Br)S(=O)(=O)CC2	1430067	MDDVJRPDAALSDU-GOSISDBHSA-N	460.328	3.916	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	12250310	QCWCBKAOARDECI-YADHBBJMSA-N	477.586	3.976	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2Cl)cc1	14922540	UBLXPKCUUMGHQY-LWROZRRASA-N	455.967	3.688	50	40	JHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)ccc21	15348397	ASTWZZKDHOAFNT-OAHLLOKOSA-N	464.526	3.584	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	20233180	TXWFWZLSNKZUEC-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	28213828	ZDXNGRHXQXWZED-AFUMVMLFSA-N	478.530	3.996	50	40	JHGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21	100283032	SXJLRXWUIWJCCX-RMLRFSFXSA-N	479.577	3.819	50	40	JHGB	
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)c2)cc1	408681680	IDXPLXDJFDINGC-YRYYUTHUSA-N	469.335	3.757	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	408939900	NIGUXGJTJHQDDH-JFLMPSFJSA-N	460.534	3.976	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409066511	VTZIVEXUOFVCGC-PDGQHHTCSA-N	478.505	3.977	50	40	JHGB	
CCOc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])cc1OCC	409222799	CYTQGYMZBDEAKJ-OYKKKHCWSA-N	467.434	3.968	50	40	JHGB	
C[C@H]([C@H](Br)C(=O)OC(=O)[C@H](Br)[C@H](C)C(F)(F)F)C(F)(F)F	885164011	AQSVLWTYQRVDST-GUCUJZIJSA-N	451.983	3.980	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc(Br)c1O	3084674	BWKNGUSNNFAAOU-CGOBSMCZSA-N	493.097	3.907	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	8406133	NQCHGIQYURLIEH-NRFANRHFSA-N	476.558	3.996	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl	12671950	MDONZIBOQRMRHU-UHFFFAOYSA-N	477.373	3.918	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	19949448	YPUVXKPWQBYMSI-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(Cl)cc1)Cc1ccccc1	35404890	UAEWTGHJYNVCKB-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	59427926	HUYJINZKVBXSFE-VFCFBJKWSA-N	491.613	3.944	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408610201	MSJYYIYLXQTPGC-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)C(=O)NC2=S)cc1C	408746472	ZLRLYXPHUHWJMO-PMXLPMHFSA-N	497.374	3.519	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408772813	NGKUMGGDULRKNH-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	408887913	UVNWAIIQIJVEAM-OEAKJJBVSA-N	467.528	3.838	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCC(=O)O	409187406	QBEGMXKFLJEATF-MXAYSNPKSA-N	452.463	3.796	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C	409266714	QYQIKKYNPPJGIH-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1I	409390155	BTVQMVNMKIGVCR-QPEQYQDCSA-N	489.269	3.792	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1O	958228	QBGLRQHYCVQTDT-RPPGKUMJSA-N	462.531	3.688	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Cl	8820462	IHQWZRKNBPZMBV-YKYHQJSKSA-N	471.991	3.949	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)c(OC)c1	12251119	PWAQZVGZUVFPNU-INIZCTEOSA-N	452.492	3.831	50	40	JHGB	
COC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21	13581898	SXJLRXWUIWJCCX-OLFWJLLRSA-N	479.577	3.819	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19948781	MFMFTLGUHMPFCE-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
COc1cccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC	26675926	YJOSXKUNONZXJW-ISKFKSNPSA-N	495.539	3.766	50	40	JHGB	
CC(C)c1ccc(C=NNC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	33345248	UWBVOHNXIVFUQB-XMMPIXPASA-N	467.529	3.668	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)C(O)(c1ccccc1)c1ccccc1	34719905	UVOKOHVNWJCBRJ-OEAKJJBVSA-N	454.280	3.744	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	408881337	IWZQTBIRKGTAOR-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408922606	PENAOXAOJUAFMF-LPYMAVHISA-N	458.367	3.699	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C	408974366	YKUTYDXENWXJQU-HUHXJTTESA-N	490.398	3.826	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1	409151010	FMUDFNWBOZRUFS-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(Cl)cc1	409268503	USQXHJJHGDBEOY-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1	778310	OPGKLOXUPXVBMR-CPNJWEJPSA-N	495.532	3.996	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c1O	1276099	VXDFFYSUPSWNDR-LGJNPRDNSA-N	494.960	3.996	50	40	JHGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	3116383	KIRIFRBEZOSUPL-UVHMKAGCSA-N	453.857	3.578	50	40	JHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N1	3321528	KODCWSSBXINEEA-QGZVFWFLSA-N	451.548	3.977	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cc(C)sc1C	9307880	KOOHFKLZQXRTRK-YDZHTSKRSA-N	482.595	3.666	50	40	JHGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)Cc1cccc2ccccc12	14097141	NBKZKUXWBDAHBW-UHFFFAOYSA-N	463.353	3.553	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1	16138457	AGWWJCGZCUYGEC-NHFJDJAPSA-N	477.586	3.635	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)c(OC)c2)c(OC)c1	27563564	LMBCHYFHZSHDFH-ZNQUXATOSA-N	462.502	3.930	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12	33594515	BASGROLDVWBSNM-YSMPRRRNSA-N	455.474	3.881	50	40	JHGB	
Cc1ccc2c(c1)/C(=N\NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2C	101029800	HFYHKHLDNXVHGJ-BYNJWEBRSA-N	462.513	3.912	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OC)c(Br)c2)C2=C1CC(C)(C)CC2=O	409134003	OGVGMBICNXQMKI-IBGZPJMESA-N	460.372	3.840	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	409153481	DDAZWJZSQPXUMT-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409259778	FFKKNIKKGFJEKU-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc21	409329585	GISKKHQRRZKEMI-CFDCUEGPSA-N	470.554	3.571	50	40	JHGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	2288797	AFEMRLGTRVYZID-SWKFRHMKSA-N	499.329	3.930	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c1	3208565	NTNOQKAVOQLACF-UHFFFAOYSA-N	475.423	3.655	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21	9424313	AVZPCFIGNUGHRM-NPWMTOLESA-N	490.604	3.799	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	19953394	GHNJAZBSHOIRPY-WSDLNYQXSA-N	452.319	3.932	50	40	JHGB	
CCOc1cc(C(=O)NNC(=S)Nc2cc(OC)c(OC)c(OC)c2)cc(OCC)c1OCC	22751968	VHLLOXFMRBRVCL-UHFFFAOYSA-N	493.582	3.540	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1	35656533	BURQFXPBTLHVBH-XKZIYDEJSA-N	474.384	3.886	50	40	JHGB	
CCN1c2ccccc2C2=C([C@H](c3cccc(Br)c3)C(C#N)=C(N)O2)S1(=O)=O	57510542	JOWLZKAECDPWCP-QGZVFWFLSA-N	458.337	3.795	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	408790879	UESXEOPTTKIZEA-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc3c(cc2C)OCO3)c2ccccc2)cc1	409003300	RSWBIWZJJNODPM-WGLQLPMYSA-N	479.558	3.592	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1OCC	409004972	GQCXOXOJSQNTLJ-OVVQPSECSA-N	467.566	3.885	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2cccc(C)c2)cc1	409063826	NMABYTNQDRSVIA-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1	409219249	KLQHNEXGWMFAJY-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409247432	CEPOWLQDOCRARC-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccccc1Cl	409262526	HQRXUMFHKZUGOB-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccccc3)n2-c2ccccc2)cc1	2074567	QLIOMWSLXISAMT-UHFFFAOYSA-N	473.558	3.561	50	40	JHGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)N2	3311434	XZVKLPVNPGMMIH-UHFFFAOYSA-N	468.560	3.759	50	40	JHGB	
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNC(=S)NCCC3=CCCCC3)cs2)n1	8781857	IMJVSGCABNLREG-UHFFFAOYSA-N	458.535	3.655	50	40	JHGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)cc1	9457428	IAZBNYNNWINPCS-LQKURTRISA-N	494.515	3.729	50	40	JHGB	
COc1ccc(NC(=O)[C@@H](NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1Cl	9509165	SITMKAOXZLNJMJ-NRFANRHFSA-N	453.882	3.692	50	40	JHGB	
Cn1c(CC(=O)NNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2ccccc21	9631027	LZNFNHFVXYPBPD-UHFFFAOYSA-N	479.880	3.931	50	40	JHGB	
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)Cc1ccccc1	13955611	XYRXPTZNGCQCGG-MHZLTWQESA-N	466.541	3.802	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	19948446	WIEFGQRWTULMCM-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12	226767583	DDRIUADHFQPQEM-UHFFFAOYSA-N	469.251	3.864	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OC(C)=O)c(OC)c1	408764297	WQOZYRVBHPIPII-RIYZIHGNSA-N	492.269	3.779	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O	408861815	DJXQETMOWCNBBE-CVKSISIWSA-N	486.569	3.548	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1	408873015	QSTLDNGNDGOVOQ-UHFFFAOYSA-N	459.568	3.726	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1	409150985	FTOBAPILZCVCOO-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1C	409163228	NWQPDSNBJWOYJH-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC	1783907	WSDWICHICNQLMC-UVHMKAGCSA-N	476.558	3.991	50	40	JHGB	
COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	2111203	CNWKXNSKCYUCHN-UHFFFAOYSA-N	456.527	3.860	50	40	JHGB	aggregator
COc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC	2303289	AUVPKDSVUYSUDN-UHFFFAOYSA-N	465.344	3.738	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	8819814	MCYJRNCQYSVZCC-HKWRFOASSA-N	483.615	3.923	50	40	JHGB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCCc1ccccc1	9159390	BMCZYJBBDJUOLR-LVZFUZTISA-N	466.497	3.761	50	40	JHGB	
N#CC(=C/c1cc2ccccc2nc1N1CCOCC1)/C(O)=N/c1cc2c(cc1[N+](=O)[O-])OCCO2	33470901	BINRBPQDWVVKQC-PDGQHHTCSA-N	487.472	3.946	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC	58882774	NWQQSLJOLBJKKL-YUMHPJSZSA-N	461.518	3.723	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	59401645	GGYCKDQFMCHVPO-XIEYBQDHSA-N	451.548	3.821	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1	408541839	HZKGBDLOQJPHLA-NVNXTCNLSA-N	473.279	3.635	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2cccc(Cl)c2)cc1	409059575	SEZQWUJWAWOQQC-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(=O)N1CCOCC1	409208422	BOZOHMVKMDYQBS-NTFVMDSBSA-N	487.512	3.596	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@@H](CO)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953119770	YZDMQLSOYVPEIW-REWPJTCUSA-N	455.671	3.791	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	663583	NDWFNHUCYOBVEN-OAQYLSRUSA-N	476.533	3.998	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	2797230	YANVXYNPTJOJLW-UKTHLTGXSA-N	472.866	3.701	50	40	JHGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)c3ccc(OCc4noc(C)n4)cc3)cs2)cc1	11671358	RSHPWRUBQNLOGG-UHFFFAOYSA-N	463.519	3.718	50	40	JHGB	
COC(=O)c1c(C)cc(C)nc1SCC1=C(C#N)[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O1	12446196	HWPZNKMYONYRDR-NRFANRHFSA-N	462.531	3.871	50	40	JHGB	
CC1CCC(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2cccc(Br)c2)CC1	12739197	JHHCXQCFUXXFOB-GZTJUZNOSA-N	484.398	3.790	50	40	JHGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)=C\c1ccccc1	13805785	DPOOYLDNNGCXSN-NNNYIQHPSA-N	494.968	3.997	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1OC	20240356	DXBLBBPJKYGJGF-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408612963	XXMGYZGNOREGIG-GZIVZEMBSA-N	459.127	3.531	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1	408789947	OVPHROVKMKPUOK-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1	408924278	MLNQWJUTJOQODO-ZVHZXABRSA-N	497.554	3.847	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409152326	DXMZOBOGAPFEMU-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)c1	9479235	AQYCWIMUVPFJLB-LQKURTRISA-N	494.515	3.729	50	40	JHGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1C	9508027	CRDYAAWLZVHIIL-FQEVSTJZSA-N	466.365	3.591	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC	20499750	JETMCQGHXQBYHW-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408747449	OBHPSRSNNRJNAM-MFOYZWKCSA-N	473.323	3.623	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1	408855761	DEKRQKGNGSOHCK-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(C)cc2)cc1	408922493	BJNFBQBMJYKLFW-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])Cc2cccc(C)c2)cc1	409065839	URWRCNPGUKUQPC-MFKUBSTISA-N	480.546	3.553	50	40	JHGB	
O=C(COc1ccccc1Cl)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409167594	JHNZJLJBLLDADO-NSKAYECMSA-N	490.299	3.597	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1	1785848	RQNZUOUELTXHRQ-WGOQTCKBSA-N	457.559	3.694	50	40	JHGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CO/N=C/c3ccccc3)c3ccccc32)C1	9678981	LDQRMPQDMSHNNL-OAKDABEXSA-N	487.604	3.762	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	101444959	ODDDSEGRTUEPNP-GRRRKWKPSA-N	477.978	3.731	50	40	JHGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	108129424	OZSBMKLURJKEDO-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408962478	SNHVPPWFTFGIBO-BRJLIKDPSA-N	459.333	3.571	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1	409253161	DXPYMCREZDLNBP-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)c1	409259930	HXZWMCBWLXCPAA-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409268478	UHLMTTIYINXCGZ-VHAYKOJPSA-N	498.889	3.741	50	40	JHGB	
CC1(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)SCCS1	1103941	LGSVCRBLAAPPBD-FRKPEAEDSA-N	454.209	3.954	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(Br)cc1OCc1ccccc1F	9235693	OGBBCPAHCMATBW-LICLKQGHSA-N	475.314	3.942	50	40	JHGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1	9381766	OKBNLHQTPAYTQQ-ZIAGYGMSSA-N	462.572	3.859	50	40	JHGB	
CCc1sc(/C=N/NC(=O)CCCC(=O)N/N=C/c2cc([N+](=O)[O-])c(CC)s2)cc1[N+](=O)[O-]	12413138	IREYRSGIGXGPIO-CLVAPQHMSA-N	494.555	3.522	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1	15223149	CFWJCCVPZUGGTF-CCVNUDIWSA-N	484.434	3.812	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2C)cc1	20059957	KUCYUBMAGYBZNB-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12	30814118	NWYQRPDMOHJJRO-WGARJPEWSA-N	456.458	3.989	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	408647521	UIJLNZRTAKVZFI-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	408785890	JHTULUAVZVRUIO-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c(C)c1	408906789	KJWXANNEMIEXLV-WSDLNYQXSA-N	482.318	3.795	50	40	JHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(I)o2)cc1C	408954613	UBCPPTFNRYAVEA-FBCYGCLPSA-N	476.112	3.826	50	40	JHGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)c1C	3106853	ZRRYNNGKXHQNQA-IFRROFPPSA-N	472.133	3.769	50	40	JHGB	
COc1c(O)cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1Br	8781366	BWQNKZJMLFMFQT-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
COc1cc(C(=O)NNC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1	9470872	FEKMRKHXOJXEAX-UHFFFAOYSA-N	484.350	3.910	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2sc3cccc(F)c3c2COC)cc1	12562690	STNMYXXSKHKPIL-UHFFFAOYSA-N	487.553	3.651	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1	19956568	VBJPBJJDMCSBPY-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1	58913588	ZMFQJBQASXWQIC-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	59334397	SUGRDOQWHOWVPO-NVNXTCNLSA-N	460.284	3.940	50	40	JHGB	
O=C(CCCCC(=O)NN=Cc1ccc(Br)o1)NN=Cc1ccc(Br)o1	252494260	NQBCWYKPRZAEKY-UHFFFAOYSA-N	488.136	3.558	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1	408767912	RBZGVFHIVJNRPD-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408896585	SFIQYBRLTCJMMU-UKTHLTGXSA-N	472.866	3.701	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408907030	LDMVQJNMFXYKPL-RQFMOZSRSA-N	490.516	3.981	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1	409129612	UWNCEXXHHYVIDW-RTBURBONSA-N	489.475	3.815	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1Oc1ccc([N+](=O)[O-])cn1	8385881	FKQLJYVDZRLJQO-UVHMKAGCSA-N	473.445	3.868	50	40	JHGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(O)=N2	9442526	VGYJDKQJRACKFJ-UHFFFAOYSA-N	454.533	3.901	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567763	IFFBBZAPEOKIEP-AREMUKBSSA-N	472.907	3.918	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1	13814734	OLQRSPNTIPLQKS-HNHDZATFSA-N	450.498	3.997	50	40	JHGB	
CN(C(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1)C1CCCCC1	408682512	JKCAWMNWWDYXFJ-CPPNMTBBSA-N	475.383	3.601	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c1	408778009	OCQWVLWLDHJZBP-WGOQTCKBSA-N	461.543	3.918	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408828362	MLURBZKRCXKSNL-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc(Cl)c1Cl	408906266	DZCZKEDEOOXLBB-FOKLQQMPSA-N	466.346	3.769	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OCc1cccc(C(=O)O)c1	409243633	XFYAGBDDQXJDRK-BRJLIKDPSA-N	480.546	3.622	50	40	JHGB	
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)[nH]c2c1	409392891	SXPHVNKXYRHMBE-XGICHPGQSA-N	458.268	3.870	50	40	JHGB	
N#CC(C(=O)COC(=O)C[C@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)=C1Nc2ccccc2N1	8824730	JHNBDOKNQRJXLU-QHCPKHFHSA-N	497.511	3.963	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	9553592	XWNVWQBNQAIJFN-AFUMVMLFSA-N	479.493	3.997	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1	9631559	LPVDNHOAAROYCO-HZHRSRAPSA-N	499.574	3.821	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl	16187135	NMCBMKGAQJLLGW-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc12	96314834	PGSMKOHLTWJLDS-PYIVIEQSSA-N	471.542	3.798	50	40	JHGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408609500	JZLZRNCFMYBTBF-FQRJQSRCSA-N	484.767	3.971	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(O)c(Br)c1	408751928	AMPMZKKWBWBYKC-LSFURLLWSA-N	479.128	3.995	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408761019	BTTZNZNPQRHQKE-SAPNQHFASA-N	479.470	3.917	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1	408768346	WIUKZZSGXLFLFK-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	408775770	UTUUMRSSZLUXEI-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409027283	FNIMUUYWXXPNCM-WYZSWBMLSA-N	495.557	3.709	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(I)c1OCC	409043831	AUYBJEIANFUUAQ-RGVLZGJSSA-N	454.264	3.558	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	409056266	GMLMREYCJLFGNX-JFLMPSFJSA-N	499.564	3.580	50	40	JHGB	
CCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	1819082	MAXMYAHSMRPBOQ-OFNKIYASSA-N	475.549	3.756	50	40	JHGB	
O=C(CCc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)cc(Br)c1O	9085879	MQZJTDLYTOHVDA-AWQFTUOYSA-N	466.133	3.876	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1	20232701	ARKZIAYWVSLIBW-CVKSISIWSA-N	495.626	3.911	50	40	JHGB	
O=C(NNC(=S)Nc1ccccc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	20365221	BVQLGONARIGNSK-UHFFFAOYSA-N	457.909	3.988	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	59250007	DQCASDBXWOAGRL-KEBDBYFISA-N	458.765	3.629	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc(OC)c1O	408765116	ZNPJUNIUBKEFNK-GHXNOFRVSA-N	450.232	3.560	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])cc(I)c3O)cc2c1	409186554	DSJNJMYEASAAMI-UKWGHVSLSA-N	495.229	3.814	50	40	JHGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)cc1	409220295	WJXRKRMJUKVCRT-QFEZKATASA-N	476.445	3.545	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1	3112608	GIUPVQBPASLRSP-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	9070184	DYHASFVFIWHPPG-GGAORHGYSA-N	453.502	3.730	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1	12275884	RLHAWRZOCPFHPW-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
C/C(=N\NC(=O)C[n+]1ccccc1)[C@@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C	16958071	QPEQWEAYMQPTFG-BPQUVHJASA-O	480.677	3.952	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	20209489	IRJCGXFHNDTSNK-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
COc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	26607826	ARNMALZVTLQLRL-RDGATRHJSA-N	495.539	3.766	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	35202838	KOSVNIUZVUGINB-FSJBWODESA-N	471.491	3.914	50	40	JHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12	70669993	RAQQAYSKOLXPNE-ZHCKMIPASA-N	495.576	3.863	50	40	JHGB	biogenic
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	408759417	DQPVTBOJSAWRRY-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408763675	GKFLXZYLAHQSDC-UFWORHAWSA-N	485.088	3.809	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)c(C)c2)cc1	408778380	SPBIQLLRYIOJCC-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408787428	AALLVBMRMJMBOZ-VGOFMYFVSA-N	459.842	3.744	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)c1	408921083	CUNXOUQHCHIDGX-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(C)C)cc1	408943724	IDFUNKMUUCEQBS-XMMPIXPASA-N	494.617	3.695	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O	409162546	WZJITUIVQJWBCM-JFLMPSFJSA-N	495.601	3.667	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1	409168709	NCLBSNZIDRYIBB-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1OCC	409226759	WNELBVIGHNKQMO-UHFFFAOYSA-N	477.517	3.820	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1	409262319	HRSGQXVDYJUVGR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c1C	409263133	AHBFJTKJWAMKRG-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC(=O)[C@H]1C(=O)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2[nH]c1=O	794667	QLVUUVHGXFTOAA-FGZHOGPDSA-N	460.921	3.828	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(Cn2cccn2)c1	1081708	JZRKDCSZVDCQSY-UFFVCSGVSA-N	478.144	3.926	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccccc2I)cc1OC	3221090	KQQZXNIBVGGION-FOWTUZBSSA-N	462.287	3.574	50	40	JHGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	8722594	XZPLLNZJSUYZEC-CVKSISIWSA-N	464.474	3.704	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	9344357	QUNRDYCPVGRBCD-CXFFPLRNSA-N	496.972	3.698	50	40	JHGB	
Cc1cc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1Br	12880571	YNLAGVQCXQLMKQ-AWEZNQCLSA-N	463.353	3.688	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1C	19949295	YMJBGRQWPLOUNM-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC	30822067	DJLHMYOSTLFQHX-WGARJPEWSA-N	452.438	3.835	50	40	JHGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409218042	CGXLXKRZJPQCGM-UHFFFAOYSA-N	481.892	3.601	50	40	JHGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NC(N)=O	409227525	PTCWIVZFWHSNHW-QPEQYQDCSA-N	481.677	3.625	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1OC	409318287	URFJBOPBDXNUET-UUYOSTAYSA-N	496.301	3.733	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O	1445077	ACXGQPWTBBYUNV-KPSZGOFPSA-N	478.524	3.805	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccc(OC)cc2)cc1	1474600	OVVUBHFHNADDSZ-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1OC	2311001	BGUHVZJHFVQCNC-SFTDATJTSA-N	481.530	3.654	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1	9666150	SMBXYQDYAFQLBN-OGLMXYFKSA-N	453.502	3.557	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)cc2)cc1	58881331	LEXXDVYKVZAGSV-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCC(=O)O	408799690	HMISUVMNNRFBLN-VTEMSQBJSA-N	451.317	3.523	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C	409162566	FZZQVWBCLGNNAR-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C	409163275	ORNRAZBOYHAJHE-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
N#CCS/C(SCC(=O)c1ccc2c(c1)OCO2)=C(/C#N)C(=O)c1ccc2c(c1)OCO2	8768071	KTMAMDUEMRXAFT-PXLXIMEGSA-N	466.496	3.935	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)c(Cl)nc2c1	20213090	VTXJNMAUZNMHID-BHGWPJFGSA-N	495.388	3.775	50	40	JHGB	
COc1ccccc1NCC(=O)N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	30885310	PNLZBIVJRUQAQF-CFRMEGHHSA-N	465.422	3.866	50	40	JHGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408839162	NZSDBNOGWLMZCH-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cc(Br)ccc1O	408970390	HDMXYRCKRWNPDV-AMAFCZHPSA-N	476.371	3.523	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(I)c1	409098512	ISUKHTSNBDSHHQ-LPYMAVHISA-N	479.318	3.673	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)o1	2636842	IAUMDOXJNRWGEG-HSZRJFAPSA-N	474.517	3.676	50	40	JHGB	
Cc1c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cnn1C	8454812	DVEGZTNWEPHPKM-FPTZMINZSA-N	484.216	3.917	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)=O	13388052	ZDNRLUDDDGYKRG-NTUHNPAUSA-N	460.240	3.837	50	40	JHGB	
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	14095844	DJXWHWGXIBBRHR-UHFFFAOYSA-N	467.978	3.752	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1O	19951986	RPTYVQYPZHFIRK-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C(/CCC(=O)O)c3cccs3)cc2)cc1	33706335	DIOIAKLDEDJFOE-DAFNUICNSA-N	499.614	3.876	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	211016889	RWAHPFUNRQQJJP-XIEYBQDHSA-N	451.548	3.815	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	408787012	PPSDYNWQHNHBIS-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	408845183	PGYFEOOIQXNNQQ-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1089264	VWEHSWNRBDVGAV-ODCIPOBUSA-N	478.690	3.725	50	40	JHGB	
O=C(COc1ccc2c(c1)CCCC2)NCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	2121994	FMEDVRBRTFTWMY-WCMJOSRZSA-N	489.547	3.929	50	40	JHGB	
COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S	8819720	NCMXMNBRHPOMIL-SILNSSARSA-N	483.615	3.918	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1	8820653	OFZZUVCHAJXYIM-UBSBAQTRSA-N	451.573	3.604	50	40	JHGB	
CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)c1	12137295	RAQUNOHXBXEZCI-UHFFFAOYSA-N	465.575	3.979	50	40	JHGB	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc12	12576691	MZWOMQOBJUIDPV-LJQANCHMSA-N	482.949	3.709	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(OC)cc3)c2)cc1	20755304	LZXDEQWYTXZTHF-LFVJCYFKSA-N	453.520	3.659	50	40	JHGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Br	21005830	NRKMGRNGHKZOJC-FQEVSTJZSA-N	466.335	3.772	50	40	JHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1	408609250	QQGFAVVRPJXXPE-KIBLKLHPSA-N	498.736	3.582	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408613284	YQIROOFZTCLUIC-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408761610	HBTBSZICVPMOMI-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccccc1O	409028964	VRZHYHJFYIGVRG-XIEYBQDHSA-N	451.548	3.821	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	409185522	ZUIUKBFYSNSMAM-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1OC	409337363	ZUVPPIINGQIRJE-KTZMUZOWSA-N	476.356	3.682	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccccc2I)cc1Br	668287	PETKYVHDKDDFCJ-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
Cn1cccc1/C=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	1478224	JCYGZSBJWRNEOF-AFUMVMLFSA-N	477.615	3.907	50	40	JHGB	
O=C(N/N=C/c1ccc(I)cc1)C(O)(c1ccccc1)c1ccccc1	3040052	XUWGUEIWMZUYTE-HZHRSRAPSA-N	456.283	3.677	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccn3)n2-c2ccccc2)cc1OC	9358317	KZMANYRPHBFNRF-YSMPRRRNSA-N	474.546	3.589	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)c(Br)c(Br)c1O	10060151	OCLSBJIFDMFWDP-UFWORHAWSA-N	458.106	3.785	50	40	JHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)s1)c1cn(-c2ccccc2)nc1-c1ccccc1	12898365	DTIWAKAXEUNQEE-UHFFFAOYSA-N	458.952	3.878	50	40	JHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)n1	17042931	MBTPUDMUPNOCRL-SFHVURJKSA-N	459.491	3.712	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	20100827	JOLZKFHIOVPLIX-MFKUBSTISA-N	463.446	3.742	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1	59437058	ADOJGHXRFUTOIJ-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Cl)c(Cl)c1	408607924	FRROOXDRRFRAIC-BHGWPJFGSA-N	450.322	3.700	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1	409169874	SNNFSENANLWTIR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccccc1C(=O)NNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)S1	2729828	RJSPNOSZFOZPNW-NRFANRHFSA-N	490.541	3.749	50	40	JHGB	
CCOc1cc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc(OCC)c1OCC	8882826	QZYXADLETZRIMG-SSDVNMTOSA-N	451.863	3.914	50	40	JHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)cc(Br)c1O	9028321	CNOPTIAZAYGTFO-QGMBQPNBSA-N	457.078	3.518	50	40	JHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCC(=O)O)c(Br)c1	13751920	GXVGLADGEJKRCO-WLRTZDKTSA-N	451.280	3.921	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c(C)c1	13945560	MMSDYPJLBHLFIV-SCDVKCJHSA-N	472.133	3.769	50	40	JHGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(Br)cc1	102649874	DPJPUAWHKXUMBT-KKOKHZNYSA-N	465.967	3.876	50	40	JHGB	
COC(=O)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F	111401912	JOMJXRTUQWIHQD-WDSKDSINSA-N	488.099	3.966	50	40	JHGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	408570460	VJRRCMZOMXYMTH-AWQFTUOYSA-N	453.929	3.962	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c(C)c1	408856586	HRTORXMAQIMJET-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccc(F)cc1	409221177	LYWQEQGIHVOPJQ-RPPGKUMJSA-N	497.552	3.501	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	409254249	IBMSGQRULXHKET-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	2338952	MBVOLOXIKLBKAA-UHFFFAOYSA-N	487.535	3.716	50	40	JHGB	
Cc1ccc(Sc2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	9982346	DPZCWOADOCQGPQ-UHFFFAOYSA-N	465.487	3.672	50	40	JHGB	
O=C(NNC(=S)NC(=O)c1cc(I)ccc1Cl)c1ccc(Cl)cc1	34966848	ZHRWVJDUDCGXKV-UHFFFAOYSA-N	494.141	3.547	50	40	JHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408772546	MXEDVGVTJGOZTR-RPPGKUMJSA-N	473.316	3.914	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408784543	UJCJEINPNVHZFM-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409024265	IWINXLKISKXOJL-WGOQTCKBSA-N	482.949	3.588	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409120936	XFUHOFCWZGTOQF-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCC	409138562	DSRRRFADKIFCAJ-QGZVFWFLSA-N	480.302	3.903	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccc(Cl)c1	2264479	BOPKTTOUHJKZCK-ZVBGSRNCSA-N	480.775	3.846	50	40	JHGB	
COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br	2551616	APIAJSUPNOMZLR-UHFFFAOYSA-N	464.385	3.705	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558741	XUHACHKJTDQVLK-QFIPXVFZSA-N	472.526	3.617	50	40	JHGB	
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)CC1	29925322	QRAGGOIIHWWCBU-HZHRSRAPSA-N	459.594	3.747	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc(OC)c1OC	59383331	XZMDXBHKVHYRNZ-UFFVCSGVSA-N	453.358	3.858	50	40	JHGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC	408727962	UCIPGVSWLVMMJQ-IMRQLAEWSA-N	493.585	3.990	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1O	408776464	OJBCDEHVDPAKAI-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408809115	ICNUACQOIXPSIR-YVNNLAQVSA-N	461.268	3.520	50	40	JHGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1	408925674	SSIYIWLNUVLXNQ-MDWZMJQESA-N	464.259	3.863	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409002409	ZPYFWPZJHLGVGS-QQXSKIMKSA-N	493.589	3.936	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1	409166375	DMTMOTLTDIVCSQ-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CC1=C(C(=O)Oc2ccccc2)[C@@H](c2ccccc2I)C(C#N)=C(N)O1	2300372	RODZJDIXLFVJID-SFHVURJKSA-N	458.255	3.978	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1	19926306	DUXNUBZTMWVAPW-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19947956	ZCPDAIJCWIJQCR-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
O=C(NNC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1	22023431	QCRSRMISKXXURH-UHFFFAOYSA-N	490.537	3.907	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1Cl	408892182	HADADBJNUBBPID-WYMPLXKRSA-N	494.404	3.712	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccc(Cl)cc1Cl	409158890	PKHLEUYGAURXNO-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)c1	409174115	LIWATFSKRUNLIM-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	409182755	NQLJHIYAJSEDGP-ZXVVBBHZSA-N	479.602	3.777	50	40	JHGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	3113534	FYJTZWDSBAZKPZ-UVHMKAGCSA-N	498.308	3.688	50	40	JHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c1	8812782	KJDKRHSBMZFTEI-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1	9059245	HCTNLLYHAAXXMG-KDHISYJLSA-N	484.350	3.669	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OCC)c3)CC(=O)N2)cc1	9324690	KELHNRMKBXAXCA-SFHVURJKSA-N	467.547	3.900	50	40	JHGB	
COc1ccc(-c2nc(CC(=O)NNC(=O)Cc3cccc4ccccc34)cs2)cc1OC	12060217	JTXSUWHCPDRCNY-UHFFFAOYSA-N	461.543	3.913	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	23382750	KHWGXOYKHRFFKB-DUPVFGOHSA-N	473.323	3.794	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2cc(Cl)cc(Cl)c2)cc1	59437028	JFHXZBVUPZUVPW-UHFFFAOYSA-N	483.421	3.695	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C	409257493	RSZHWYKTEQXLEA-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC	409323870	RITOJELLTIRCSH-QRVIBDJDSA-N	461.312	3.641	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1cccs1	2235486	RWOOMDRFNKOODJ-FSJBWODESA-N	457.895	3.718	50	40	JHGB	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](NNC(=O)c2sc(-c3ccccc3)nc2C)C1=O	3346277	HNGOLGQFZSIJLW-INIZCTEOSA-N	484.965	3.655	50	40	JHGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	9533198	HHYFBUQCKGDCGR-FQEVSTJZSA-N	464.522	3.544	50	40	JHGB	
O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccccc1-c1ccccc1	9882495	JCKBQPGCLXZMBP-UHFFFAOYSA-N	455.308	3.721	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl	19639816	ZJHJZNNELMFCJA-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408851234	AKZKXRYTMYNWEW-YVNNLAQVSA-N	461.268	3.520	50	40	JHGB	
C#CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	409125170	MSZMQSYLZPSJAK-IBGZPJMESA-N	488.281	3.626	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1cccc(Cl)c1Cl	409165432	YEOLTPPAPJGCFC-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	409265937	VDUWERWCCXPVCH-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)sc2=O)c1	2233327	JTKJNYPWSRXMMI-OPEKNORGSA-N	481.917	3.932	50	40	JHGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	3115406	VDQWPXOFNZAZDU-UVHMKAGCSA-N	498.308	3.688	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1F	9109727	YWQRGRVHELYBSO-VQTJNVASSA-N	487.940	3.979	50	40	JHGB	
CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	9253897	IWZICCYIRWQUAQ-UHFFFAOYSA-N	479.899	3.665	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	58853263	SWWFCSDVUGOEAJ-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C(=O)O)cc1	59334332	AFYMKDQADUSFEA-PXNMLYILSA-N	459.296	3.730	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c(C(=O)OCC)c1C	408546152	DNGQTTZNDPDQIQ-MHWRWJLKSA-N	485.514	3.592	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(C)c2)cc1	408783093	JWRIBEFUFANSJY-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	408786358	IFWACXYLLSSTAD-ATVHPVEESA-N	456.340	3.722	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1	408921499	IGLAWKNRJGJZJW-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3C[C@@H](c4ccccc4)CC3=O)o2)cc1	408978195	LCECCDKGPOUOCO-NQLRXCNRSA-N	459.502	3.590	50	40	JHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1	409039535	GYINAOKOQVCMRK-NTEUORMPSA-N	465.849	3.942	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	1237477	ANPQYDFLYXSZRV-LGJNPRDNSA-N	492.944	3.980	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccncc2)cc1	1474672	LBBVTIFWBVVCHT-VULFUBBASA-N	472.530	3.578	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)OC	8958967	SJTLYRINZLWUAF-OVCLIPMQSA-N	458.854	3.534	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1	12491689	LPGUQCQWMBMRGX-UHFFFAOYSA-N	466.588	3.622	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1O	19948584	HSSMQEPHQUQQLP-WGOQTCKBSA-N	481.574	3.870	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OCc1ccccc1	108939896	YETCUVOLJQDHKY-AFUMVMLFSA-N	462.462	3.905	50	40	JHGB	
COc1cc(/C=C\C(=O)OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	201229594	IACNKWPFTWDNDK-XOHWUJONSA-N	458.463	3.535	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cc(C)cc(C)c2)cc1	408841082	IVJHIRXCADNHJE-JVWAILMASA-N	493.585	3.729	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c1	408942734	RGSZFARWBSYXED-LGJNPRDNSA-N	484.940	3.862	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)c(Br)c1O	408965046	FRLVTHHYPITPCN-QPSGOUHRSA-N	471.080	3.700	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC	408979643	NOPNUDZHZMCLDU-KDPMPHTCSA-N	481.574	3.572	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccccc2)cc1	949937	ZCFCKBHVZCQBNL-CVKSISIWSA-N	487.541	3.884	50	40	JHGB	
O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)o1	2135392	DTWYKABLZKPJPO-UHFFFAOYSA-N	458.746	3.860	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1O	8781353	GOFTVKKSCDQBFC-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9716366	HVKNSECXWMVOCL-UHFFFAOYSA-N	450.495	3.834	50	40	JHGB	
O=C1c2ccccc2[C@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)N1Cc1ccc2c(c1)OCO2	9762233	CJQHQBOHNGQWTJ-OBVAKMOBSA-N	459.546	3.907	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1	19948766	YYARABUPCBMODV-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
N#CC(C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)=C1Nc2ccccc2N1	21973284	FMIQMHSUAPDTGW-UHFFFAOYSA-N	471.439	3.702	50	40	JHGB	
COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NNC(=O)c1cccc(Cl)c1)CC2	96402261	VGENUGHTDVAJEF-VWLOTQADSA-N	479.964	3.766	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)c1	408972767	WVPJPPSIZCTSEG-LGJNPRDNSA-N	499.976	3.718	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1	877983	WZCZYJLASLVTGU-UHFFFAOYSA-N	457.559	3.855	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nc3ccccc3c2=O)cc1	2223300	XHTFSDQZKLVXPE-ANHFWIFSSA-N	460.515	3.895	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1CSc1ccccc1	2394383	UZDHWDDEWXXUEQ-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	2648327	TTWZPLIGLODUCG-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COC[C@@H]1[C@@H]2CC(=O)O[C@@H]2[C@H](I)[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1	5045567	PRABNDOFJAIZJF-YZUZWNONSA-N	492.309	3.891	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1	12032450	MMBNONYXOBWFPG-QGOAFFKASA-N	457.552	3.577	50	40	JHGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	13758227	VYPFDHQLGXOUBM-XDJHFCHBSA-N	452.470	3.719	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1I	16195922	BEALHCWCSXZGGA-QGMBQPNBSA-N	459.627	3.625	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1[N+](=O)[O-]	59435859	NUMVWQXJPBIKAF-ZVHZXABRSA-N	486.937	3.589	50	40	JHGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2I)cc1	408848597	RURKWQSZGSNBQJ-UCQKPKSFSA-N	488.329	3.677	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	408849298	ZKGYVYNWCQTJKW-RPPGKUMJSA-N	459.453	4.501	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c1C#N	409007686	QGYHPNQOBUFNMW-XODNFHPESA-N	459.550	3.962	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1OC	409118574	RKCMXNUILRBWHP-PCLIKHOPSA-N	467.547	3.601	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	409264486	LNKRKESLAWHDCM-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1	409265708	OBGJSBMOSNULDK-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl	409347613	QOIVGUOBSLEODV-UHFFFAOYSA-N	483.421	3.528	50	40	JHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1I	840388	DBSAHCPGUQNEMT-VIFPVBQESA-N	479.101	3.827	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)ccc1O	1086961	GMKYCZPOJQCNSM-LSFURLLWSA-N	463.719	3.825	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br	2752466	AYTWLLSMAZJPEN-NUGSKGIGSA-N	474.233	3.574	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc(Cl)c1O	8854872	CEWITDYKBFRCNY-QGZVFWFLSA-N	484.896	3.688	50	40	JHGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cccs2)cc1	9631345	UWXAWKRZGXQKTE-UHFFFAOYSA-N	459.593	3.526	50	40	JHGB	
Cc1cc(NC(=O)CCCBr)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1	9845621	SZPZIWLOQNEOSB-UHFFFAOYSA-N	458.295	3.562	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16248741	DKRBZQLIMYZIHS-XIEYBQDHSA-N	467.616	3.792	50	40	JHGB	
C[C@H](N(C)Cc1cc(CCC(C)(C)O)c2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1)C(C)(C)C	201334279	VWZDRKUIILQDLW-KRWDZBQOSA-N	474.451	3.674	50	40	JHGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC	409022057	DEJBYSUKRHNYLN-WGARJPEWSA-N	482.334	3.937	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1	409168581	NAIKOCPXVIOMTK-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1	8427128	COYCOKSAXUXOPJ-KAVVDJPUSA-N	450.476	3.586	50	40	JHGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820534	XLDDKMHXCKUEMN-LCJXIQSFSA-N	481.599	3.694	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc12	9381741	UVEYWZVWCFSZMV-GJZGRUSLSA-N	474.608	3.728	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1Cl	9703456	HAAFLLQUTOPOCI-BTSCWMHGSA-N	466.877	3.858	50	40	JHGB	
O=C(/C=C/c1cccs1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	22785581	IKNBZAOQXIBABC-BUHFOSPRSA-N	474.630	3.706	50	40	JHGB	
O=C(NNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2	22873671	KHGQVNLVCCKHDX-UHFFFAOYSA-N	453.545	3.629	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c1	58918458	PHPGOOGMZMDZGI-PCLIKHOPSA-N	499.614	3.771	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	59382998	RXERJHMMBPOSCK-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC#N	408783972	OYUMESRRJPUCPR-AQTBWJFISA-N	481.350	3.616	50	40	JHGB	
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1ccccc1I	408960069	IZDBVJOODHFQOB-XKZIYDEJSA-N	463.319	3.729	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)cc1	409118071	PWWGIUVYMJYAIS-CVKSISIWSA-N	469.538	3.629	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1	409253962	CPDXOXKVQUGTIT-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)Nc1ccccc1	409263834	OOUQVTOZBPEBOB-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	12377119	FAZKJOWVKSKUGD-SSDVNMTOSA-N	483.897	3.726	50	40	JHGB	
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	61717419	DMKSVUSAATWOCU-LNCNOFJKSA-N	466.958	3.917	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1	409184025	DVHKFXLEEBYIMW-YDZHTSKRSA-N	495.443	3.555	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2nc3n(c2n1)CCCCC3	39554771	XHSJXIVXOKVSSI-UHFFFAOYSA-N	460.563	3.973	50	40	JHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(Br)cc1	8449131	DPJPUAWHKXUMBT-WRWGMCAJSA-N	465.967	3.876	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC(=O)O	408810519	JKBODJUDLAYEBS-ZDLGFXPLSA-N	485.334	3.873	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1Cl	138894353	UGMRXANGCHQDQH-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c([N+](=O)[O-])cc1OCc1ccccc1	17648464	ARDHWGRZSVVOPC-WYMPLXKRSA-N	481.534	3.832	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Br)cc1	778209	KKOLOKNGWBDNIE-SDNWHVSQSA-N	472.320	3.902	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(N(C)C)cc1	1001408	FRZPBARHAULIOA-CVLFLDGLSA-N	463.611	3.773	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)c2)cc1	6144528	PICLEYJOLJIOBY-YPXUMCKCSA-N	499.417	3.955	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O	8691122	BKBZUYLYUUBWOV-GZIVZEMBSA-N	476.205	3.783	50	40	JHGB	
O=C(NNC(=O)c1ccccc1Br)c1csc(COc2ccc(F)cc2)n1	12885638	CPKAZCOQGOEXGT-UHFFFAOYSA-N	450.289	3.699	50	40	JHGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	27017175	BEOSDPJWSGAXSD-BARSGRSVSA-N	490.585	3.538	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	58912066	NFFIABHCVRFQPL-WKULSOCRSA-N	456.468	3.922	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC	58912117	WYZQJDRHYKAVDS-MUFRIFMGSA-N	476.577	3.537	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccccc2Cl)cc1	408781419	ABQRGCWUCGMPAL-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1Cl	409059914	YSJOZYRTEMLLJX-QDTIIGTASA-N	471.904	3.997	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c1	409161244	ZSOMARSXUHZQOS-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409244386	BUPRXSMABPLDHS-UNOMPAQXSA-N	456.926	3.946	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OC	409322038	VSYJEXHWYCXCFZ-NHDPSOOVSA-N	484.290	3.567	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1	2335566	OFGVNNMRAIRIDQ-VULFUBBASA-N	495.605	3.968	50	40	JHGB	
O=C(CCOc1cccc(Br)c1)NNC(=O)COc1ccc(Cl)cc1Cl	3372524	ANVQXGQVVAWDDB-UHFFFAOYSA-N	462.127	3.751	50	40	JHGB	
Cc1ccc(C(=O)NN(C(=O)CCc2ccccc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1	18222744	XHENDURGMOTEHI-HSZRJFAPSA-N	473.504	3.572	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)n1	28215084	OWFSVUIPINFLQH-YMSFFTPVSA-N	477.590	3.592	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1	58882010	ZEGGDQDOZPWGJB-STBIYBPSSA-N	496.523	3.955	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(O)cc1O	408862362	YFJWKVHSHGMMOF-QPSGOUHRSA-N	469.306	3.609	50	40	JHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	408866752	IRZIWAMIMMEJLE-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)cc1	408970535	AZXDWVZFHQVMMA-BBMHEYIBSA-N	460.372	3.818	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1	408980280	QGEHRODBWNXKAI-FXVMGJAWSA-N	464.591	3.621	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408995979	GEJIJLIWLCYTGW-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2c(F)cccc2Cl)cc1	409058165	ISSLSRKCZSMRBM-LGJNPRDNSA-N	474.945	3.524	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1	409151052	GBCPCOJEOZYNDU-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	1055733	BLFSINIXTAHYFL-NFCNUSAFSA-N	483.318	3.861	50	40	JHGB	
COC(=O)C(C(=O)OC)[C@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	5082500	BNZPJJVZKBTFON-GRYCIOLGSA-N	486.982	3.612	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)c1	8670785	QQTNMDHBCUMRPN-OVVQPSECSA-N	489.557	3.836	50	40	JHGB	
CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567744	FDXAUZIUWAWJQM-VWLOTQADSA-N	459.937	3.951	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	16248430	OENUKWGQOOTRSD-DHRITJCHSA-N	485.949	3.799	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	20215186	YCECWGLVLLJTRM-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
CCOC(=O)NN(C(=O)OCC)c1c(C)cc(C)c(N(NC(=O)OCC)C(=O)OCC)c1C	100341575	WGCVRVWRIMKBRT-UHFFFAOYSA-N	468.507	3.860	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408608433	HKMBWIRYQRRJTC-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409230243	CQFFNCBWIDZKNK-WQRHYEAKSA-N	487.350	3.665	50	40	JHGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccccc1F	663596	HGRCSHCUTOROMH-HXUWFJFHSA-N	462.506	3.608	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)cc2OC)cc1	3280479	UYARJUFNHQOCKH-PCLIKHOPSA-N	483.546	3.667	50	40	JHGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8811143	GMASCBJPJIZPRB-WSDLNYQXSA-N	498.317	3.870	50	40	JHGB	
CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NNC(=O)c4cccs4)n3C)cc2C1	10440135	APUZSTCMJLSFSB-LBPRGKRZSA-N	461.638	3.673	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2c(O)ccc3ccccc23)c(I)c1	12362560	CVLGSXNFFQBDRI-JJFYIABZSA-N	476.270	3.688	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	20059934	NORUTCYTSUICQG-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1OC	408832332	YASKFPWJSOUAIK-UHFFFAOYSA-N	459.568	3.726	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408922592	CMQMMPGTTIQYAF-LPYMAVHISA-N	458.367	3.699	50	40	JHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c(C)c1	409230358	CFXYCPYYSUWEGS-BRJLIKDPSA-N	465.579	3.838	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1	409258168	RTSWDHUMBGWPMQ-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409258406	UWMWJAXWZQXMKL-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(O)cc1	409379389	WPKXFFBBLVQYHC-WZUFQYTHSA-N	451.660	3.817	50	40	JHGB	
COc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	658911	RSKSEPAJYAKYCB-ZEQRLZLVSA-N	465.513	3.757	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1	1434498	IKIFMJPGCCVBMG-UFFVCSGVSA-N	454.166	3.840	50	40	JHGB	
O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccc(O)cc1	2231806	BHMGZELTKPMXIB-ZVBGSRNCSA-N	466.744	3.844	50	40	JHGB	
COc1ccc(CN2C(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1	8824717	NHKQQBLZHKAFJY-HMAPJEAMSA-N	461.905	3.807	50	40	JHGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccccc1Cl	12032357	VDNDZNWCIOKMEM-LFIBNONCSA-N	463.943	3.532	50	40	JHGB	
O=C(N[C@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13140614	FWUWEAZKNWCZME-OXOGFPMKSA-N	475.508	3.698	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	20214298	BJHXFPUPGLHTPH-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccccc1	58924850	JIZMSVZLAQFCKE-HAVVHWLPSA-N	457.577	3.883	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	105200720	JQNXTHFIMPPFCM-WSDLNYQXSA-N	481.377	3.976	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Cl)cc1	408765612	MOGCZUKPOAAPKI-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1	408783353	KNPNGLMDJKQTSV-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1	408833895	ZZRLTZSWLPDGJG-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc(I)c1OCC(=O)O	408904186	GBCSGNIFPYVIGV-NKVSQWTQSA-N	497.289	3.536	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccccc2)cc1	408927278	YYWJFQJRSDEFCM-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	409054089	MMBNSOIRPABTRI-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1	409061813	IOSMKRLCUYKZRH-MXAYSNPKSA-N	464.323	3.501	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)c1	409159246	VLKNKSBNYNNSPR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	3107988	FWLBEDFTNOAHRY-MRVPVSSYSA-N	457.111	3.996	50	40	JHGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(O)c(O)c2)cc1	3112794	VLJOWOAPRMEBMF-XFVPJXQESA-N	459.502	3.808	50	40	JHGB	
CCC(CC)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	8663696	NRCBFANHLXQJGF-UHFFFAOYSA-N	452.374	3.937	50	40	JHGB	
Nc1ccccc1C(=O)N/N=C(C(=N/NC(=O)c1ccccc1N)/c1ccccc1)\c1ccccc1	13302795	CEBRZXKOIWRFMF-YESHOFFLSA-N	476.540	3.819	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	20210658	BAOBJNKIDWTJBG-YZSQISJMSA-N	481.574	3.581	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1	20348287	GMEGJAMRZFREAM-LJQANCHMSA-N	453.951	3.955	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	23410584	ZUZNGRMJFSFMTD-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Br)cc1	408613292	YRJZVEABGYKXQV-DHRITJCHSA-N	476.371	3.649	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1cccc(Br)c1	408772986	OCUBOTAVKKJNID-FSJBWODESA-N	492.317	3.774	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1	409256053	JHUCLOMELFUSFK-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c(C)c1	409260266	NMPSVZKEVZTQDT-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c(C)c1	409268750	YPUQKHYBZIXZLI-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OC	409362421	JJWTYTIIYNMIGY-ZVBGSRNCSA-N	473.698	3.524	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1OC	1307629	COHYMNVMVSHFDQ-JFLMPSFJSA-N	488.569	3.954	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1445316	QQXMPTJJHQDOQG-YSURURNPSA-N	499.277	3.744	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccccc1	2077049	HEZOIEBTONTKBC-PCLIKHOPSA-N	468.531	3.934	50	40	JHGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(I)cc1	10118444	GVWKMODDTCAGNT-RQZCQDPDSA-N	476.055	3.660	50	40	JHGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc4nsnc34)cc2C1	19079000	GHPZDUAEWWQFOS-GFCCVEGCSA-N	450.611	3.527	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1	19956740	FMAGPJPVBOMGFQ-BUVRLJJBSA-N	498.586	3.971	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20207997	OWFCFJZTKXXACA-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2)cc1	59515868	FXCNHBGDPKXCEM-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408682456	GMCIPXFBZOICOX-KKFZBWNWSA-N	450.329	3.543	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	408758811	ROBJJOSOBYLGOV-SAPNQHFASA-N	479.470	3.917	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O	408838423	VZHMAPAHSVPNKK-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408906889	JWZGPWAEOMFZJS-YDZHTSKRSA-N	471.410	3.756	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1	408977953	GGOWCEVQTOKFDS-QADUPLGGSA-N	451.548	3.564	50	40	JHGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	409060293	PGZCFZAYHXHRGJ-RPPGKUMJSA-N	495.363	3.869	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cccn2-c2cccc(C(=O)O)c2)ccc1I	409117298	ODRBSDUFHGOWDU-UUYOSTAYSA-N	489.269	3.553	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	1272915	WIVLIYSSJQOQKF-DHRITJCHSA-N	464.934	3.987	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1	9290877	XWMVFTRZBFYBJF-GFIJVFARSA-N	496.972	3.698	50	40	JHGB	
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc12	39976156	QIWMTNPNPXNBGD-HNNXBMFYSA-N	477.521	3.694	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408689156	XRVGQUYWRAXPMP-ZTFQOWAKSA-N	476.150	3.634	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1I	408747038	YFNBTMFKAFBKCT-PTNGSMBKSA-N	458.255	3.857	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1	408786689	MFGDDMAHPQGKGM-YZSQISJMSA-N	465.575	3.912	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1	408788166	BOXZHFIBAGMIHH-JJIBRWJFSA-N	461.584	3.746	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408829266	OXLWGBUNYRDZHO-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(Cl)cc2)cc1	408908229	WDSFTECBESZOSC-LPYMAVHISA-N	463.968	3.756	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1	408995380	BXQDRCKOQOALBB-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21	409359770	NTDQFZLBODSYPX-BHGWPJFGSA-N	457.328	3.529	50	40	JHGB	
O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1cc(Br)cc(Br)c1O	1632081	KOVHPMAQLHPRSJ-LSDHHAIUSA-N	488.563	3.682	50	40	JHGB	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	9716303	MUZNZNPUIXCZJM-UHFFFAOYSA-N	475.530	3.741	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1Cl	19952038	VSIVBESAQFQRAY-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccccc4Cl)c3)c12	22754373	NSOBIBZRDLOLAD-UHFFFAOYSA-N	495.012	3.684	50	40	JHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCN1CCOCC1	26967779	CMUDYRNARPLEHS-CAPFRKAQSA-N	461.953	3.548	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1cccn1-c1ccc(I)cc1	32109634	USXRCMLQKVNPFZ-LPYMAVHISA-N	475.286	3.620	50	40	JHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59960158	BNVAITKLYQKQCD-VULFUBBASA-N	470.957	3.565	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccco2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	108931794	UVSKLAFNQZQMJH-QFEZKATASA-N	453.564	3.854	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408729070	CPAPKWXJXHWRLS-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408745175	PUHWNEKIHNIZOV-DHDCSXOGSA-N	476.270	3.697	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(Br)cc1	408781515	BFDFBLOUMKQNKP-LPYMAVHISA-N	460.353	3.519	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	408786531	SCZAPCQIABSFBY-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
N#C/C(=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(N)=O	408834074	SWDYGKZHWMUKOT-ATVHPVEESA-N	455.923	3.716	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1OC	409024806	HODFCNXBXVZUBV-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2C)c1	409027864	FSSMJBSSGPDTGN-AFUMVMLFSA-N	497.577	3.535	50	40	JHGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766234	NWJYUQVBXQJMKW-PKOBYXMFSA-N	494.598	3.513	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(O)cc1	8819719	OPFQWVXGJUWONH-CYVLTUHYSA-N	469.588	3.615	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9067210	RGNJDPOTBZWDPG-DHIUTWEWSA-N	480.484	3.657	50	40	JHGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccccc3C2=O)c(C)c1	9127304	ONSPZUOULZIZSN-HAHDFKILSA-N	482.540	3.708	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1cccc2ccccc12	9833537	QOGZZXFGJKAXGE-UHFFFAOYSA-N	463.715	3.861	50	40	JHGB	
CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)Nc2ccccc21	11667570	NXQLTZCMZVREQY-XTCLZLMSSA-N	470.554	3.913	50	40	JHGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1	19952540	BERJIROCQLBXHL-UHFFFAOYSA-N	450.358	3.691	50	40	JHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C	408590557	PPMGMFXRRMMJJC-UVHMKAGCSA-N	462.506	3.562	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	409161125	WSBGKCJDQJBXQQ-JXHYGPBUSA-N	492.488	3.797	50	40	JHGB	
COc1c(OC(C)=O)ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]	13943653	CUNQGXWVURJKFX-QFEZKATASA-N	463.446	3.725	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	19950096	FBZOHQAHFJFFRB-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc([N+](=O)[O-])c1	33155035	DPPVCKMJUCDRKI-MSXFZWOLSA-N	481.534	3.832	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccncc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	34720335	YCCMJKZDWWPFOB-DICXZTSXSA-N	464.591	3.656	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCc1ccccc1Cl	408615047	LGENFXCHKONLIL-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(C)=O)c(Br)c1	408759525	GNHFWZMKEFDRFF-AWQFTUOYSA-N	470.117	3.909	50	40	JHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(I)c1	408849547	XFVNZMORKIKNHR-MFOYZWKCSA-N	457.271	3.737	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1	409058601	TXDPFNRTNATPTF-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(C)c1	409145942	QWGDWUSWLPGHIH-MFKUBSTISA-N	451.548	3.833	50	40	JHGB	
Cc1sc2ncnc(SCC(=O)NNC(=O)c3ccc(Br)cc3)c2c1C	886432	YXJUOZKYSAFRFJ-UHFFFAOYSA-N	451.371	3.624	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(I)o1	1434818	KSDOXJPAWCEWEI-UBKPWBPPSA-N	483.487	3.829	50	40	JHGB	
CC[C@@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1	9452851	NBFWNNNXXLXAQN-HIFQEXITSA-N	454.527	3.677	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl	18194356	FFSHRNXCZJLRLT-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1	36235431	PXCSTYOLOZNSAD-GOPJWACSSA-N	472.545	3.691	50	40	JHGB	
CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	102066093	UHYUGFZZQCOSEF-JQVOGXOBSA-N	499.199	3.926	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3O)C(=O)c3ccccc32)c(C)c1	102621178	GSYJQCNSHIBSPY-ANYBSYGZSA-N	489.553	3.510	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1O	408783346	KIPXRCXFYRLSQR-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1	408940916	OQTZNVUSZSQLEW-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)c2ccccc21	408998737	OARHLCLMHKAZRN-PSZYXBCASA-N	478.549	3.840	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)c2)cc1	409159588	RFNGFOXKNLATMZ-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1	409168270	MAUMSAFTXYFBLP-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(CSc4ccc(C)cc4)c32)c2ccccc21	8442120	UCJSNYVRIOSCKK-RUZDIDTESA-N	455.543	3.915	50	40	JHGB	
CCc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1	9439018	LJYKNIMEZHYJKV-UHFFFAOYSA-N	495.601	3.543	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250410	HJWFVZNUDHMTNU-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1	36167280	RVLGDPPFSBBPCN-ODQWFOKXSA-N	474.605	3.963	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(I)c2)c(OC)c1	408868116	NOAZWPQSPLAGFR-OVCLIPMQSA-N	478.286	3.540	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408981982	WZOZUMLFLZHMPN-QADUPLGGSA-N	451.548	3.564	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408990638	XTGRDPUSRLMIDA-RZXPCSSPSA-N	473.341	3.754	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OC	409133163	MSXVXHZZBHGBQA-MRXNPFEDSA-N	466.275	3.513	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccccc1	409138703	GVBJICGFAHVKOF-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	409254601	ZRLGIEQZIBRLPN-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
CC(C)Cn1nc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O	2665047	AANSXZDMAJNTGU-UHFFFAOYSA-N	470.529	3.560	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OC(C)C	954752	LDNDPMBWRUCGFI-JYXARGHSSA-N	468.579	3.529	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OC	3220078	JRUHUMRLAQJBPT-HIWKEIFESA-N	484.512	3.847	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(F)cc1	408659936	KIIVEMBPXJMREY-RDGPPVDQSA-N	493.318	3.735	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O	13759469	TWBKMQMFCGNFOA-FBMGVBCBSA-N	460.534	3.844	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C[C@](O)(c3ccccc3)C(F)(F)F)cc2)cc1	14241782	YQPFGKBFRHEHMR-DEOSSOPVSA-N	483.446	3.592	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)Nc1ccc(F)cc1	409267485	VXFDJKAPFZTFKX-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OC	408814486	POJHMOGQMOJTND-LLOPKGDWSA-N	454.308	3.910	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OS(=O)(=O)c1ccccc1	408893366	FHIDWFQCWJCOQY-QGOAFFKASA-N	478.482	3.707	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	409260964	ZBUGBPSUJHMHBA-LQKURTRISA-N	492.507	3.721	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	19947836	SQSRLAYDUYVPPS-YZSQISJMSA-N	459.527	3.891	50	40	JHGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)NC1CCCC1	4482593	KKHLPHPHFJQBOM-VZUCSPMQSA-N	472.133	3.641	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	973691	RQLCJHLQXXBYOD-YCPBAFNGSA-N	498.289	3.565	50	40	JHGB	
O=C1[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	2060786	JAFJTLMZCVSLGT-DIQHKMFBSA-N	467.079	3.988	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OS(=O)(=O)c1ccccc1	2078183	VBFJUCRXCUTWDA-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1	2639566	WHADMVTXYRHREO-UHFFFAOYSA-N	458.470	3.764	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c(O)c1	6130864	BOSUOJUSZFSIFG-HZHRSRAPSA-N	472.592	3.865	50	40	JHGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1	9381765	OKBNLHQTPAYTQQ-KBPBESRZSA-N	462.572	3.859	50	40	JHGB	
O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1	15841311	ILAJTDAUPNDOMR-UHFFFAOYSA-N	471.894	3.555	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1	19948748	SHALWDHMPCIMLI-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC	33929330	NBRXOAQNZFXPCU-BKBIYGFMSA-N	475.545	3.653	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	408868106	NNSDIJMYWINTDN-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OCC	408927241	YVYHNKZTHZKLFR-UPMNJHNBSA-N	491.610	3.578	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	408936881	ISYOKUAERCJKBA-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2ccccc2F)cc1	409115812	KUJMKZSWBQWJEU-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(N)=O	409218856	HTVFQBGAUDFWFR-LFYBBSHMSA-N	498.255	3.886	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C	409261122	ABJWCLDGZYRKGD-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	13595677	SQQFTWLAQPAFFL-ZMOGYAJESA-N	456.340	3.968	50	40	JHGB	
O=C(N[C@@H](CSCc1ccccc1)C(=O)NN=C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	14923207	KDRAJQAEVNNWSF-NRFANRHFSA-N	499.549	3.971	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)sc(N)c1C#N	15018641	AOCVCLARJCQEEY-PTXOJBNSSA-N	458.135	3.505	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2)c(C)c1	15228143	JYGFCQXRKHLBFI-JFLMPSFJSA-N	493.585	3.651	50	40	JHGB	
COc1ccc(OC)c([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	19852569	KIJSQHNXKYTOLM-UKILVPOCSA-N	451.530	3.629	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	20214310	DLYSVUWVXDOPBA-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1	26779661	QFKJSQQSGRZHAG-QNGOZBTKSA-N	452.518	3.858	50	40	JHGB	
O=C(COCC(=O)N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1cc(Cl)cc(Cl)c1	31723761	AZTDNORIHJGXDV-YLSUZJBISA-N	476.147	3.917	50	40	JHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)NCCc1c[nH]c2ccccc12	59104872	QRGPRARHBGFENR-SXGWCWSVSA-N	468.307	3.660	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408750787	RSELYAFKNXBGLU-WPWMEQJKSA-N	493.357	3.856	50	40	JHGB	
N#Cc1ccccc1Cn1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21	408885194	XRYRXBLHKJVSJS-DBFSUHOCSA-N	451.486	3.852	50	40	JHGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1	3069548	LFUWQEIOIFDXCX-UHFFFAOYSA-N	479.577	3.613	50	40	JHGB	
CCOC(=O)c1c(NC(=O)CCl)sc2c1CCC(Br)(Br)C2=O	6599662	MVFWBNDMBREHLR-UHFFFAOYSA-N	473.570	3.717	50	40	JHGB	
CCOc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1	9381822	AJJTZJGKYHRCOA-UHFFFAOYSA-N	474.608	3.873	50	40	JHGB	
COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O	13583870	ADPPOKTYLBECCT-JVWAILMASA-N	474.542	3.732	50	40	JHGB	
CN(C)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1	31670072	FJYMRGTUNGCSCR-ASYRIYPMSA-N	491.423	3.896	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Br)cc1OCC(=O)O	34690073	NVWRBHYLZFHTAJ-BHGWPJFGSA-N	487.306	3.847	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)cc1	46084859	BESJOBNZQIRWNT-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1	408606730	ANAMIVQXAUUYCB-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OC)c2)cc1	408865556	CVSQWZUCBPVNHY-VGOFMYFVSA-N	462.243	3.632	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409021031	XBSQNLASBRAJGD-YUMHPJSZSA-N	460.534	3.851	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cc(Cl)ccc1Cl	409024764	GYNWBJFALQXRGV-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1	409126116	GXFZRRNLISOYRI-RTBURBONSA-N	489.475	3.815	50	40	JHGB	
COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(NS(=O)(=O)CCl)cc1OC	1456865	JVQJREMBUMWIQB-UHFFFAOYSA-N	466.943	3.798	50	40	JHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1OC	1770750	NPACDYJVJINSSN-YVGNARHYSA-N	484.530	3.690	50	40	JHGB	
COC(=O)CSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1	12250188	GZGWCDFSPMPXIZ-FQEVSTJZSA-N	472.563	3.684	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1	59401656	RVGOQSJKYDMXTQ-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC	59416305	SHGRQVTWOJLUQW-AFUMVMLFSA-N	478.461	3.637	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1C	107957662	AVNPRDOJBIYCKM-UNOMPAQXSA-N	498.377	3.849	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1OC	408774487	OSBQCMLCSIVQNC-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1	408782698	IUDGDJLUAAANHN-WPWMEQJKSA-N	495.601	3.920	50	40	JHGB	
O=C(N/N=C\c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	409189645	MERGRALKILMQNB-ZBKNUEDVSA-N	469.464	3.751	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c(OC)c1	1479386	XDLRTZLSQIYQFR-JFLMPSFJSA-N	488.573	3.897	50	40	JHGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21	2335105	QPPNNPFNVYGADF-UHFFFAOYSA-N	491.773	3.865	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2621265	FNUVIOBEQLCFND-UHFFFAOYSA-N	492.492	3.535	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1	3146666	OPKMKDZIFZRADE-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(CC(C)C)cc1	9459798	NLZDXRLYSPBYPM-WGOQTCKBSA-N	490.593	3.877	50	40	JHGB	
O=C(N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1Cl)c1ccncc1	17920817	PKKCFTNWUYFDDB-FNVGFWRISA-N	468.300	3.905	50	40	JHGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	21777228	AZYLBSWIJOBSOH-DEOSSOPVSA-N	497.580	3.953	50	40	JHGB	
Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3cccc(Br)c3)C(=O)NC2=S)cc1C	408758798	RISXDWBXARFFHW-MOVXZBDNSA-N	497.374	3.519	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(Cl)c1Cl)OCc1ccccc1	408989845	MHAXTVNFNGWIAB-SPYDPLLYSA-N	460.321	3.704	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409161930	XEEVELALZNGPPO-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1cc(Br)cc(/C=N/NC(=O)c2cccc(I)c2)c1O	695396	SYWRGSZWQNMXBT-QGMBQPNBSA-N	459.081	3.832	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820530	ZMTRNNPQTBMENU-DXQMBWDBSA-N	465.600	3.994	50	40	JHGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1)C(=O)O	9324391	CMKDQIGPDDCUNF-BERGCFNWSA-N	486.116	3.533	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(Cl)c2C)cc1	20207044	YITOYLTWJYKPOJ-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36080559	SOKMQIDUQCZKSM-JPMQUXBJSA-N	490.604	3.703	50	40	JHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br	408691535	CNEFJFQECHTDPD-UFWORHAWSA-N	456.094	3.682	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1C	408882786	NZZLFXMXIDHQEH-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Br)cc1	408923570	JOMXHUZGOSOVAZ-DNTJNYDQSA-N	457.122	3.801	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1	409154580	OOUWAFBOJILJPO-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)n1	409236255	FSIZRGREFMJXCW-LGJNPRDNSA-N	472.574	3.929	50	40	JHGB	
CCCC[C@H](Cl)[C@@H]1C(Cl)=C2C(=C[C@@H]1[C@H](O)C(=O)[C@H](O)CCC)[C@@](C)(C(=O)O)C[C@H]2C(=O)O	1772592069	YVFJLAAPXXXIMK-NEJAZSNDSA-N	491.408	3.736	50	40	JHGB	
Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)cc(CCl)c3cc2Cl)cc1	2208073	WZTXRSDWZKSNKL-UHFFFAOYSA-N	470.330	3.768	50	40	JHGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	8756459	ASQXPNGPJAMDMO-MUPYBJATSA-N	482.497	3.834	50	40	JHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	21969096	ZIUKLVWJLWMAKL-DEOSSOPVSA-N	488.519	3.535	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	32581119	NNTRDWYRQPWPIF-VIXPEKOKSA-N	457.490	3.582	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccccc1	408666711	RNXPFXONXBNLSH-YRXWBPOGSA-N	475.328	3.596	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OCC	408829908	KVVUHJIQPJRCTP-WPWMEQJKSA-N	499.564	3.969	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc(OC)cc2OC)NC(=O)c2ccccc2)ccc1O	8427121	KKHBSVDREUSBSG-SERGHYIJSA-N	489.528	3.729	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1	12275429	PLIPRBRVVJZJEZ-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1	12275433	PLIPRBRVVJZJEZ-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
COc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=O)c1ccco1	96398860	PNPGUVKEENQSOB-SILNSSARSA-N	497.511	3.989	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1ccccc1O	100921579	TZTCJMPXWLQKTC-JIRCTBOUSA-N	491.590	3.852	50	40	JHGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100980770	YGIAPKLIPAVGDN-BHGWPJFGSA-N	467.360	3.585	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O	408781825	FEAVDAARTARDBC-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC#N	408790893	RVLLSMWLZIGEIO-NTUHNPAUSA-N	457.240	3.814	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)O	408855956	GRYRWYNPEFDQRO-ZRGSRPPYSA-N	450.413	3.599	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408963082	MJBHREKXYWDMLN-PGGKNCGUSA-N	489.244	3.792	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1	409110478	CKNPYOGAYGYZBC-PCLIKHOPSA-N	467.547	3.601	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Br)cc1OCC(=O)O	409209785	ICJGIVDOFOEQPJ-ODCIPOBUSA-N	487.759	3.817	50	40	JHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1ccc(Br)cc1	409218479	FJIMKISRTNMWNZ-NHDPSOOVSA-N	458.224	3.933	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1	409262005	GWBCIGFEDMPNTP-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccnc1	695602	VPPLYVWMUIAZBS-SQAVSUBZSA-N	455.975	3.756	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C)c(OC)c1	2889825	INSQUEDKPQECLJ-GZTJUZNOSA-N	485.334	3.960	50	40	JHGB	
O=[P@@](Cl)(OCC(Br)(Br)Br)N1CCOCC1	6827751	LROSUTJPBMEPEY-HNNXBMFYSA-N	450.289	3.521	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nc3ccccc3c2=O)cc1	16217568	XJCQTHJFFPMNQX-UHFFFAOYSA-N	491.598	3.504	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(SC)cc2)cc1	19956412	XPEAFKXCVSVLEM-PCLIKHOPSA-N	499.614	3.858	50	40	JHGB	
N#Cc1ccccc1CSCCNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1	32802045	LCEXWFQTNDNMMX-UHFFFAOYSA-N	450.520	3.608	50	40	JHGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Oc2ccccc2)cc1	408683867	MJPVCBGXXPTJCZ-VTLVALNESA-N	486.318	3.532	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408776029	KYUTWOVKPQPAQZ-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408981983	WZOZUMLFLZHMPN-VAHWYXDJSA-N	451.548	3.564	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2cccc(Cl)c2)cc1	409057197	JCYZZXLCMANPLQ-LGJNPRDNSA-N	499.976	3.718	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)c1	409151654	HOQZNXNROOAEAZ-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
C[C@@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccccc1	1785414	UPOXEVKVMYDIBN-NEZLHVBRSA-N	490.585	3.896	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2I)c(OC)c1	1917848	ACCVXFYOAJLYEJ-RVDMUPIBSA-N	488.281	3.728	50	40	JHGB	
C[C@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	24751069	BMQCKVJOTRUGKU-ZDUSSCGKSA-N	453.326	3.510	50	40	JHGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235362	UEHWUFVKUCOXQV-NEFIMLPLSA-N	484.468	3.910	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl	408607976	GERAAQZVTUXNFI-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1	408749758	TVEYAOGNOKSMRZ-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OC(C)=O)cc2Br)cc1	408808306	FPALRYMUIGZWBF-PXNMLYILSA-N	459.296	3.615	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1C	408909859	INOQJWBIDOLDQV-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC	408978831	KOLJMSJAYUUEIL-RHKYMZEHSA-N	476.489	3.624	50	40	JHGB	
C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC	409128857	GYWDMLXQBULBSX-OAQYLSRUSA-N	469.969	3.743	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1cccc(Br)c1)N/N=C/c1cccc(Br)c1	1691903	VKUKPQFINXMOGP-FWSOMWAYSA-N	494.187	3.982	50	40	JHGB	
Cc1nn(C)cc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	8454807	LXNDODURWDYXQU-FPTZMINZSA-N	484.216	3.917	50	40	JHGB	
N#CC(C(=O)COC(=O)C[C@@H](NC(N)=O)c1cccc(Oc2ccccc2)c1)=C1Nc2ccccc2N1	8824729	JHNBDOKNQRJXLU-HSZRJFAPSA-N	497.511	3.963	50	40	JHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	10729083	GDRHLNLLOVBKKE-SNVBAGLBSA-N	490.137	3.528	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)c2nnsc2NC(=O)Nc2ccc(Br)cc2)cc1	33337842	DEISBDRQCPECPK-SRZZPIQSSA-N	488.371	3.775	50	40	JHGB	
CCN(CC)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	100501189	CYLJMNPOJQPAMH-KBCNZALWSA-N	470.205	3.815	50	40	JHGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	408728216	WXODCJRKLRGCGX-NLRVBDNBSA-N	479.558	3.578	50	40	JHGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408741241	OQXYZNAOWYNHAA-SXGWCWSVSA-N	462.287	3.922	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1	408926961	WUTJOXPWAXKYDD-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	409185224	UMQNXRWQLNMPNP-VULFUBBASA-N	499.589	3.666	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccccc2)cc1	1279156	FMXPFKWOHZGADW-MFKUBSTISA-N	459.531	3.891	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)o1	2636843	IAUMDOXJNRWGEG-QHCPKHFHSA-N	474.517	3.676	50	40	JHGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc2cc(Cl)ccc2o1	4106847	JLNNOUYNICGWJF-LGJNPRDNSA-N	464.909	3.664	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	9202097	CINWRCCHNRMSNE-CIAFOILYSA-N	450.276	3.937	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1	9330078	BIVFOURJDIXXBP-PKTZIBPZSA-N	477.586	3.597	50	40	JHGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	12947078	SQVBETRSWXYZQN-UHFFFAOYSA-N	473.414	3.802	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccs1	15223121	CMROYGQXCXWZLN-LPYMAVHISA-N	492.420	3.852	50	40	JHGB	
CN(CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)C(=O)OCc1ccccc1	16186764	UYCXNKHRQGDXEN-ZVBGSRNCSA-N	499.159	3.636	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(SC)cc2)cc1	20232112	YSMCDABTYPWGJA-PCLIKHOPSA-N	484.603	3.548	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	107676915	QCQVQERBTYTWDV-PKAZHMFMSA-N	495.601	3.744	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408972700	QTAPRVXRCOKQMB-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c1	409064998	RMWBEIYWSXAPOO-AFPJDJCSSA-N	473.235	3.575	50	40	JHGB	
CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	409105187	HGZWIKSHZHZIDW-SFHVURJKSA-N	492.269	3.645	50	40	JHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1	3382581	ITQNKMUQSOQBJQ-UHFFFAOYSA-N	473.986	3.689	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)cc1	12276841	QAFFXDJWMFDLRK-NHCUHLMSSA-N	499.976	3.767	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(O)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558731	ZQBZAYJNICGFPT-HSZRJFAPSA-N	487.537	3.927	50	40	JHGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)CO/N=C/c3ccccc3)c3ccccc32)C1	101486267	LDQRMPQDMSHNNL-PKIMDFSJSA-N	487.604	3.762	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I	408569938	RDOLHTQRNSJZJW-SDQBBNPISA-N	477.233	3.923	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1-n1cccc1	408762012	JGVUNNOIMYYOND-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)c1	409153338	HTOKWWVUAHRKPF-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(NNC(=O)c1ccco1)c1cc(NC(=O)c2ccccc2)cc(NC(=O)c2ccccc2)c1	10060516	QHDVAYROTQGBFB-UHFFFAOYSA-N	468.469	3.859	50	40	JHGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O1	13756896	RAFNKMWDRYFURG-OAQYLSRUSA-N	468.893	3.717	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953124	YSUDEEQJEDHZKM-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3nnc(-c4ccccc4)o3)cc2)n1	22061161	ZGCNXCDJSAZKAE-UHFFFAOYSA-N	488.573	3.830	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1	26966412	OORMRQFNVJUYOI-LTGZKZEYSA-N	452.518	3.858	50	40	JHGB	
CCOc1ccc(C(=O)NN/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1OC	33014854	WSAWNZUHRHDSLD-XMHGGMMESA-N	492.919	3.605	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1	58915472	CFIHTSFVEHGIOP-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	58918073	KFKUEBTXCANCDE-HZHRSRAPSA-N	472.364	3.795	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59922179	QSABZIYUDMXUOK-LPYMAVHISA-N	484.803	3.654	50	40	JHGB	
COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc(Cl)cc3)C(=O)C3=C2CC=CC3)cc1	101181489	RIRCYARFHLFBIW-HFTWOUSFSA-N	497.960	3.526	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2)cc1	409314147	ROTLQADJLRLUOQ-LJQANCHMSA-N	453.589	3.805	50	40	JHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	9553804	YKLOXTCKKHMKOG-UHFFFAOYSA-N	453.252	3.526	50	40	JHGB	
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NNc2c(F)c(F)cc(F)c2F)c1	9612392	XQAHXFURVSTOQR-UHFFFAOYSA-N	459.465	3.953	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100545055	WZJJIHXJHYGVHR-WSDLNYQXSA-N	481.377	3.976	50	40	JHGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1ccccc1I	107589039	UJLGLFMNXUBMRV-FMCGGJTJSA-N	481.309	3.868	50	40	JHGB	
CC(C)(C)NC(=S)NNC(=O)c1cc2cc(Br)cc(I)c2o1	408586771	QRBYZQZYULAVQE-UHFFFAOYSA-N	496.168	3.707	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408760073	QYIFVSZTGNDQQU-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	408840377	FMOBCGHHYQUVAI-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21	890551	ILXIVQXVGBZQBW-RELWKKBWSA-N	469.589	3.765	50	40	JHGB	
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1	6474617	VBGFNANYWRZIPA-UHFFFAOYSA-N	464.938	3.536	50	40	JHGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1csc(-c2ccsc2)n1	9951767	CCAXIYNKHHWLOR-UHFFFAOYSA-N	487.566	3.705	50	40	JHGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Br)cc1	102649877	DPJPUAWHKXUMBT-WYUUTHIRSA-N	465.967	3.876	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1	408768507	XLPGIQLOYURJOF-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408864448	VXZQSVUOYSTZLW-KXWHUPIZSA-N	494.013	3.831	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408875917	MKFYWHRQZPFRMI-ZVHZXABRSA-N	464.434	3.783	50	40	JHGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)OCCO1	408882892	ONJGNKASIQSJBQ-WSDLNYQXSA-N	478.299	3.540	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	409024529	CRUVCXCAHUCKLP-AFUMVMLFSA-N	497.577	3.535	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	3146815	QBONWRJEMAZDKY-SSDVNMTOSA-N	450.363	3.788	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)cc1C	16312666	MYVUGEWENXVGJI-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1	35944198	QPZYCTPHWSSEKL-GZIVZEMBSA-N	495.127	3.586	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2C)cc1Cl	408939138	MWOJNKOYYZUYMQ-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1	409148688	ZSVAWXQMCRUNPC-RTWAWAEBSA-N	463.559	3.667	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(C)=O	1444595	LZPQIIJVWXWCAR-ZVBGSRNCSA-N	455.692	3.566	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CNC(=O)COc2ccccc2)c(C)n1-c1cc2c(s1)CCCC2	9305480	AMYQRTPCFXDEOC-MZJWZYIUSA-N	464.591	3.680	50	40	JHGB	
CCN1CCN(c2ccc(NC(=O)COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cc2)CC1	12538629	VEFXZKAVZLPKDW-LFVJCYFKSA-N	491.636	3.992	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nccn1-c1ccc(Br)cc1	12603329	SWXVZGLWCRBNJO-UHFFFAOYSA-N	495.786	3.607	50	40	JHGB	
CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1	14068808	UFAQJNLAYLWHKQ-UHFFFAOYSA-N	477.586	3.810	50	40	JHGB	
O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	15515372	HPAWPVLKMRVGFH-UHFFFAOYSA-N	495.539	3.506	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)S(C)(=O)=O)cc1C	16312044	KETDEMRRFRIBGM-MFKUBSTISA-N	451.548	3.739	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)cc1	20207566	UWHLPQZTDSSFGK-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)ccc1O	20240427	GFEBZUWEGLSZQF-VUTHCHCSSA-N	472.589	3.873	50	40	JHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240438	WPSRBBBKOWEBGO-OVVQPSECSA-N	457.534	3.677	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59427944	PTUWHLQAFLJUQN-VFCFBJKWSA-N	491.613	3.944	50	40	JHGB	
Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)c1	102324087	ARNBDNWQNKZZAJ-ZZIIXHQDSA-N	463.921	3.973	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	408857655	LNOFEGAFNWFGQZ-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c3ccccc32)o1	409390319	DYWCNXINKGYYMR-VYYCAZPPSA-N	474.517	3.664	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nc3ccccc3c2=O)cc1	1478404	UKBHQGWFDAHXST-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)COc1ccc(C)cc1Br	13898868	WVHSBPISNGBHDT-LPYMAVHISA-N	463.288	3.565	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1O	19926225	JFJCJEQKCRBGKO-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)sc2c1CCCC2	34700954	ZTCQQUPYKUMEHE-PTNGSMBKSA-N	454.504	3.813	50	40	JHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc(OC)c1OC	36446317	OVLKUJBFISTPLX-AFUMVMLFSA-N	478.461	3.637	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1	58918379	GGDGCPRUFYANNN-HZHRSRAPSA-N	457.577	3.801	50	40	JHGB	
Cc1sc2nc(C(C)C)n3c(SCC(=O)NNC(=O)C4CCCCC4)nnc3c2c1C	100386454	YNXKTSRGYUIVJW-UHFFFAOYSA-N	460.629	3.899	50	40	JHGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1O	195759578	BJZZQJFYKQPUGO-FGTMMUONSA-N	469.618	3.749	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408608432	HKMBWIRYQRRJTC-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-]	408641223	CAJOGPGPPPTDPG-HNAYVOBHSA-N	462.861	3.819	50	40	JHGB	
COc1c(Br)cc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1Br	408729032	BWSCTBLYAIOPKX-UHFFFAOYSA-N	472.162	3.808	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1	408764790	SRDLCBUMPPVYMR-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Br)c2C)cc1	408869147	QZPSFEXIPLMHHX-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC(=O)O	408904788	OPSRAZRZIZOAJC-SDQBBNPISA-N	475.242	3.704	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	409007151	TYQGHHFKRBTDSX-FSJBWODESA-N	465.959	3.882	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2c(F)cccc2Cl)cc1	409062173	OZUOPCRCHYYTCT-LGJNPRDNSA-N	489.956	3.834	50	40	JHGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409230075	BDUFIOMWSSKWTI-UFFVCSGVSA-N	465.373	3.672	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	3145026	GEZFCLQMOZWRLG-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(I)cc2C)cc1	3265420	AVWSWTIXHDYFBH-XNTDXEJSSA-N	476.270	3.697	50	40	JHGB	
CCNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O	8691644	JXKHEYBHLMNXDV-HAVVHWLPSA-N	463.541	3.944	50	40	JHGB	
COc1ccc(-c2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)c3ccccc3n2)cc1OC	8826114	QRPFJALPEOMWLS-UHFFFAOYSA-N	495.539	3.809	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2Cl)cc1	9262652	MENOIJZPAGLJCP-OBXYEHHASA-N	453.926	3.868	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	20214200	MBMYBRGMUPBZHO-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(N4CCNCC4)cc3)o2)cc1	32106965	LUHFNOVNSLKCCO-CAPFRKAQSA-N	456.502	3.688	50	40	JHGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OCc1cccc(C(=O)O)c1	33708071	BCLFLRUPGSPOTB-QFEZKATASA-N	463.446	3.573	50	40	JHGB	
O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)c(Cl)c1	408656989	TUZAXFXXZHUYEG-KYXWUPHJSA-N	498.986	3.560	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1	408867433	MGWLSDRLPJDBND-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1	408974271	YDPHCTJDLFXVLG-AUEPDCJTSA-N	486.275	3.965	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@@H]2C1	1240832	ZUXPMPJPHIJOFZ-NFBKMPQASA-N	475.549	3.754	50	40	JHGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	2190342	GONMWZYYHDQPAP-SSDVNMTOSA-N	483.897	3.726	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	2213955	IGMQZJFRWNDEGB-ZPHPHTNESA-N	457.317	3.571	50	40	JHGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	9140715	DQIDCAVDVICIJA-UHFFFAOYSA-N	482.521	3.635	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2cnc3onc(C(C)C)c3c2)cc(OCC)c1OCC	14289460	XARAFUXQGPYGBS-UHFFFAOYSA-N	456.499	3.617	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2c(OC)cc(OC)cc2OC)nnc1-c1ccc(C)cc1	19861220	GVQGQOYSBYBDQU-CFRMEGHHSA-N	469.567	3.542	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	20207391	UTQOHHFRVZPVHU-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
COc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1	26580617	PIYXUFYPKBDAEV-ILBGXUMGSA-N	495.539	3.766	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	33777649	JFJWZQDBAUQUIW-OYKKKHCWSA-N	464.434	3.783	50	40	JHGB	
COc1ccc(OC)c(/C=N\NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1	36048083	RKQNTMGDOCXDJL-QFEZKATASA-N	484.578	3.822	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408773637	WCRVRCDAWCXMLG-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)O	408813377	QHLCJHLQTSZVHQ-NTUHNPAUSA-N	463.259	3.996	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1OC	408895009	STLTWLHDOKFLEM-RHANQZHGSA-N	476.577	3.619	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408922910	HNECDVWWAWFJMW-BUVRLJJBSA-N	499.501	3.534	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	409248886	FTMOFXDKTOMAGM-LQKURTRISA-N	492.507	3.721	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888680	CHTGGYKRDLGUFE-IMGOXIFKSA-N	460.328	3.760	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3ccc(Br)cc3c2=O)cc1	1952941	PNEOPKPYDQRXAH-FOKLQQMPSA-N	456.296	3.733	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1	3221342	QLZRHVIRPUGLDA-SFQUDFHCSA-N	489.450	3.639	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1O	3659860	KCPOGUDANIWJLM-DNTJNYDQSA-N	472.679	3.644	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)c(OC)c1	20100880	UHEDHRZVCYVIMB-ZVHZXABRSA-N	454.504	3.904	50	40	JHGB	
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1OC	20259255	UVCITWDLCJKIDQ-MTCPJELPSA-N	490.535	3.957	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc(OCC)c1OCC	28701180	NASGZUYKSKAVCD-FQEVSTJZSA-N	472.538	3.515	50	40	JHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O	58853645	DGTMFBIVTIUKKW-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O	59101720	LGJHHBKFJWOADU-IFRROFPPSA-N	461.099	3.559	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	59417045	RHICBNCKJMEIAK-OEAKJJBVSA-N	466.544	3.573	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	409025898	ZUHBMOBXYYBVJJ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409159365	TVVIQRILAFOUIO-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(C)c1	409244321	BAILIOPOAFZTCY-PXNMLYILSA-N	458.312	3.837	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(OC)cc1	873423	KABNPTCIYHQIEY-RUZDIDTESA-N	489.528	3.926	50	40	JHGB	
COc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1	2628878	DADVGLLMIZRLHV-UHFFFAOYSA-N	473.460	3.668	50	40	JHGB	
O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NNC(=O)c1ccccc1Br	8755657	JVRQAGVDPTZAFW-UHFFFAOYSA-N	485.285	3.964	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	14359232	PMGOMWLLISGIKW-MKRBPYTFSA-N	497.636	3.766	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953132	ISHWPFDDVMAYHX-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
COc1ccc(NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1	59180643	ANLHWXGLTDKVGZ-UHFFFAOYSA-N	489.189	3.617	50	40	JHGB	
O=C(N/N=C\c1ccc(COc2ccccc2Cl)o1)C12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2	102572003	CMWOVPUUHFPZNF-ITEMQMIOSA-N	480.956	3.944	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(O)cc2)c(C)c1	106167267	LJFOUQNXGYOWFP-PKAZHMFMSA-N	479.602	3.701	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2OC)cc1	408820750	YKICXCYXFLQIAF-NVNXTCNLSA-N	478.286	3.540	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408851709	FJWUJZPGGLVKBV-GATIEOLUSA-N	469.881	3.673	50	40	JHGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	408959920	ALYCZUCZZUYXBH-YKQZZPSBSA-N	496.567	3.696	50	40	JHGB	
C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2	409133486	LBJDHCGICOFOOY-NRFANRHFSA-N	484.394	3.844	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1	409242956	PYIQKUQTXBWKJM-NGYBGAFCSA-N	474.178	3.566	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c(OC)c1OC	2340963	NOHJIWGHAIZMLJ-JOCHJYFZSA-N	473.529	3.643	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccccc1OC	2588737	KVLNOABDWDBENZ-YADHBBJMSA-N	493.541	3.848	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(-n2cnnn2)c1	8718464	XPJOQOFYHLHIQZ-WPWMEQJKSA-N	458.551	3.515	50	40	JHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240439	RPHGNIGDIUDLSW-OVVQPSECSA-N	457.534	3.677	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2F)ccc1OS(=O)(=O)c1cc(C)ccc1C	24037388	VDDROHPZESSQPL-VULFUBBASA-N	486.521	3.748	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408613483	ZVXZGSMMXTWPCJ-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	408874464	CCFUQOKZHTZXHE-GQBLCDNYSA-N	463.987	3.678	50	40	JHGB	
CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccncc1	408972434	TZMOJCNOUHJFRM-QIKCHGGLSA-N	451.354	3.837	50	40	JHGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1I	409022468	PGPDHRIKVOMZBB-WNFQYIGGSA-N	498.660	3.918	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OC)C2=C1CC(C)(C)CC2=O	409131372	JEEGTBOFLMCADU-IBGZPJMESA-N	460.372	3.840	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409167121	HEZOSLHAWWEKCO-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1	409168624	NDQHUMNNHOUIBL-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1	409187173	NAKZYNNKWDIXCF-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1	409257732	UPQKHKXDLWICJJ-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	1009082	FCKPOSPPBLSOSB-LTNVFZTJSA-N	450.333	3.816	50	40	JHGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	1058108	AGEHTOIMUBUVAJ-HXUWFJFHSA-N	465.307	3.878	50	40	JHGB	
O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(OCC(F)(F)F)nc1	14280741	CEKKNHIBMJDFBA-UHFFFAOYSA-N	467.407	3.708	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	20061057	IXWITFSAAHMVEE-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	28214719	SAZBSEOLWJFIHR-OCSSWDANSA-N	484.600	3.912	50	40	JHGB	
CCCCCn1nc(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)c2ccccc2c1=O	31491352	QUYCSNPHKNIWDR-UHFFFAOYSA-N	489.601	3.638	50	40	JHGB	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Cl)c1O	36235400	QVJAQQJSWJBQNW-OPCPVBEBSA-N	493.903	3.704	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCC2)cc1	59444007	CJFQSIFBVMGJCF-UHFFFAOYSA-N	457.596	3.755	50	40	JHGB	
COc1ccc(Cl)cc1NC(=S)NNC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2	103579855	JSYGGTNYFMLUSF-QQRKTFAASA-N	495.436	3.907	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Br)c1	408606111	ODULWWZALWQSTO-QGZVFWFLSA-N	476.400	3.711	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408612485	VPTGDNBBZSYAPF-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1)NCCc1ccccc1	408774138	AEZOTCIJWAUCCC-LQKURTRISA-N	465.937	3.607	50	40	JHGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)oc12	409105454	JTUAXVPYOCOKAP-YDZHTSKRSA-N	458.312	3.804	50	40	JHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1Cn1cccn1	12276051	REQFAFDRHKXCFR-NBGIEHNGSA-N	476.533	3.722	50	40	JHGB	
COc1cc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc(OC)c1OC	20348322	PCGAYGNDZUUYQV-SFHVURJKSA-N	451.548	3.927	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OCC	34690051	VNHMNMNYUJWMMU-MTJSOVHGSA-N	450.289	3.848	50	40	JHGB	
COc1ccc(N2C(=O)C(=O)N(c3ccc(OC)cc3)P2(=O)N(CCCl)CCCl)cc1	95567945	UKWPRLLVTSUVJX-UHFFFAOYSA-N	486.292	3.971	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccc(OC)cc1	408822868	MOTXUWRBCYJLMB-YVLHZVERSA-N	473.323	3.623	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408966958	OGEXCMCOUDDHFZ-ODCIPOBUSA-N	455.081	3.995	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1C	409254497	DPHGQDHYEIXGRI-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2cccnc12	2801361	LSJWHEKZWPZNDQ-PVLQNKMRSA-N	452.308	3.927	50	40	JHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)Cc3cccs3)C(C)C)o2)c1	3764538	NXPJSLIOHFBCTA-FDCKDHBTSA-N	467.547	3.628	50	40	JHGB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C1	9381938	HTVOKMAIONIXNE-GFCCVEGCSA-N	466.535	3.752	50	40	JHGB	
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)cc1	15979042	CNFDIJKVCXAUCL-UHFFFAOYSA-O	456.551	3.670	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1C#N	16267854	NYCHGFIAKUHBPU-KIBLKLHPSA-N	483.868	3.759	50	40	JHGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)CN1C[C@H](c2ccccc2)CC1=O	16575650	FTRNNRWMDXMWKK-SZMVHAFZSA-N	458.356	3.703	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764946	ZCCOIODEYXFZSA-OEAKJJBVSA-N	492.313	3.865	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccs3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70700471	HXBCXXIMAVRSRY-IKSLHTFYSA-N	479.595	3.896	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408718590	FUHVEPCIVJQXEP-MYYYXRDXSA-N	492.444	3.814	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OC(C)=O	408765417	PLYCAMXUPOWNIG-YDZHTSKRSA-N	456.296	3.938	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)ccc1OCc1ccccc1F	408977726	XGXMGHIKVCSTAU-CCVNUDIWSA-N	492.486	3.746	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1C	409155550	JCMNIGGFZWGMPD-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1	8927586	ZNVSCMBLNTWGLU-PKOBYXMFSA-N	477.344	3.565	50	40	JHGB	
O=C(N/N=C/c1ccccc1Br)c1nn(Cc2ccccc2)c(=O)c2ccccc12	13145417	DQKZIMOOSOYJNK-AFUMVMLFSA-N	461.319	3.971	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C)cc1)S(=O)(=O)c1ccccc1	19949977	SZNCYDRIJROWPR-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)Nc1cccc(Cl)c1	28215031	RKVKCWZLEBMHAW-XFBJJFJZSA-N	465.893	3.648	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c1	58915476	UFEJFKPBHDDYIA-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)cccc2[N+](=O)[O-])c1	409219934	RWRJJXXFRIOCOC-QFEZKATASA-N	476.445	3.545	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1	409261060	AQCKHBUPJAMPFF-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(O)(c1ccccc1)c1ccccc1	1083301	PVIXVVYISWTQTM-ZMOGYAJESA-N	453.292	3.564	50	40	JHGB	
N#CC1=C(SCSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)NC(=O)C[C@H]1c1ccco1	2310809	HDUDREHUDDPVCN-CHWSQXEVSA-N	452.517	3.674	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N/N=C(\C)c2ccc3c(c2)OCO3)cc1	9097015	BEKOTBCIPGVJIF-PCLIKHOPSA-N	481.530	3.769	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1ccc(Cl)cc1	12604186	HYPTXADZFQZTBJ-UHFFFAOYSA-N	451.335	3.741	50	40	JHGB	
O=C(N/N=C/c1ccc(F)cc1)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1	14922214	HLXKZEGHTCSHLV-ODVGGMSBSA-N	485.559	3.948	50	40	JHGB	
O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=S)NC1CCCCC1	15874569	BPCMPCDVRZMFTO-NTCAYCPXSA-N	493.054	3.982	50	40	JHGB	
COc1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	26607821	ARNMALZVTLQLRL-RCZVLFRGSA-N	495.539	3.766	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	32114657	AOWRPDOBGMUYMU-PMZVSURPSA-N	469.321	3.862	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1	58881065	KHDHIYNLDRRRJU-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	58918334	HRFWZAYZKROTRA-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
CC[Si](CC)(CC)O[C@@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O	198043995	BFEHWXCZKFZQCB-XRXFAXGQSA-N	469.563	3.584	50	40	JHGB	in-vitro
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1NC(=O)c1ccccc1	409215351	ZLTUDDFQNOKIQC-YDZHTSKRSA-N	486.313	3.857	50	40	JHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(O)c(I)c1	409241083	WZZBOXONYRGIJP-UWVJOHFNSA-N	477.071	3.591	50	40	JHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9088696	LVKMJLPMYHFBNP-SFHVURJKSA-N	451.548	3.977	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1I	14922644	ZFESDMRMLGRHMJ-LPYMAVHISA-N	465.291	3.743	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc(OC)c1OC	15162521	IPWRDFRULXIMQJ-JOCHJYFZSA-N	476.489	3.925	50	40	JHGB	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	24977016	WFXBBLVJIRDDRN-UHFFFAOYSA-N	488.572	3.649	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2cc(OC)c(OC)cc2OC)nnc1-c1ccc(C)cc1	32577009	RUZKEQZZXSEIJK-CFRMEGHHSA-N	469.567	3.542	50	40	JHGB	
O=C(N/N=C1/CC(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	102934023	WAPNXKDQTOKYNG-GFMRDNFCSA-N	453.907	3.861	50	40	JHGB	
COc1cc(/C=C\C(=O)OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	201229629	IACNKWPFTWDNDK-FKJILZIQSA-N	458.463	3.535	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCc1ccc(Cl)c(Cl)c1	408616104	VVDAIMASOWWRCX-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(Br)cc1	408784642	VMJBKNBVKIYVJH-FSJBWODESA-N	492.317	3.774	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1	409025063	LCGGRYSBHMGAPP-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	409025780	WKKVCKLLIXXEPC-MFKUBSTISA-N	496.545	3.642	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1OC	409366464	VEJGNCBOMOPKST-LSHDLFTRSA-N	487.725	3.914	50	40	JHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc(OC)c1OC	2020941	VPDMFTREWFDFJV-JVWAILMASA-N	476.533	3.795	50	40	JHGB	
CCCCc1ccc(OCC(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1	3669141	VOQSUBIQNYPNLT-UHFFFAOYSA-N	473.323	3.738	50	40	JHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Br)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777903	VNDCSULMOTZMNT-XVVDYKMHSA-N	477.307	3.812	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C1/C(=O)N(CN2CCCCCC2)c2ccccc21	9034208	GJWJKRWEOQPNHL-HPNDGRJYSA-N	463.563	3.621	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccc4ccccc34)nnn2-c2nonc2N)cc1	9345784	FFSLXDQGKITFID-LQKURTRISA-N	496.531	3.996	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1	19948545	YLVOUWGFJRWYFY-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20060110	KHGCQCQJPNQMSH-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@H]2c1ccccc1O	100872049	ARUMZEVBQXCFRH-CBAVKNIESA-N	477.563	3.793	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1cccc(Br)c1	408777656	DZSABXAPPJCGLK-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
Cc1c(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(Cl)nn1-c1ccccc1	408895668	VMPUECDTQVADDE-AFUMVMLFSA-N	488.013	3.874	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)c([N+](=O)[O-])c1	408900576	WFKKHQSOCWQGMS-WUXMJOGZSA-N	462.256	3.929	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC(=O)OCC)c(OC)c1)c1ccccc1	408996950	CCPDEFLYSNCAFX-LSPPGFKNSA-N	457.483	3.558	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	409118535	RBKAPSRFWIPGNG-JFLMPSFJSA-N	499.564	3.580	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1Cl	409161904	WTJIDPVBFSKHNB-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1	409219807	VDWNWGHTZSQBIB-QRVIBDJDSA-N	450.407	3.519	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409225296	KIQNZSOUEFKBOO-PDGQHHTCSA-N	457.324	3.657	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3ccccc3c2)cc1Br	22755901	PDHCXEUPQGJXIB-MZJWZYIUSA-N	496.361	3.812	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cccc(Nc4ncccn4)c3)cc2)n1	24763415	NZKFCMWJASGFCT-UHFFFAOYSA-N	485.573	3.994	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(I)c1O	105791797	MHCVRVMEAUMAFZ-UFFVCSGVSA-N	491.241	3.831	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OCC	107721767	NMNVCCQACYGBMQ-FYJGNVAPSA-N	452.292	3.781	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)NNC(=O)c1ccc(Cl)cc1	408636793	CIVDXVZZQFTJSI-UHFFFAOYSA-N	453.307	3.509	50	40	JHGB	
N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	1823397	HKDRGPXUEBTLOW-SDNWHVSQSA-N	450.501	3.540	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	8437994	LMDGOJQQDVLYSY-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
COc1ccc(-c2cc(N)c(C(=O)NNC(=S)NCCSc3ccccc3)s2)cc1	12762565	KOBVOININZFXKF-UHFFFAOYSA-N	458.634	3.907	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	16309372	JGGQTYPYBRGRFY-KOEQRZSOSA-N	455.511	3.575	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1	58925255	WESDIUOAKOATES-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)cc1	252394498	ODDDSEGRTUEPNP-DZDPUUJWSA-N	477.978	3.731	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	409164584	KOLKINSCVXFLRA-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OCC	409254521	HYAPQDJOWIXHST-WSDLNYQXSA-N	467.307	3.651	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccs1	3117942	GVJJHOCLDDNRNG-BRJLIKDPSA-N	471.922	3.509	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1	9679295	SDRCNGYWZGKDLB-KOEQRZSOSA-N	457.596	3.867	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)Nc1cccc(Cl)c1	28215028	RKVKCWZLEBMHAW-BTSCWMHGSA-N	465.893	3.648	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(C)cc2)cc1	59953576	NUQUOJZCUDJLLC-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	408856321	FMZLFZIRBUPONX-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1	409155503	IWCUUDQYDHALFF-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409259424	ZJQCCLGXBGXWDQ-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2	13138144	YBJDNFZBQVXMON-RTVFTTKQSA-N	451.523	3.738	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1	15018648	RTGSQUGCJHWLPF-BRJLIKDPSA-N	488.386	3.546	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1	16186834	JCILHLIQDSHJIU-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	408772226	FKDSVPDXXJRPAF-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Br)cc3)s2)cc1	825474	NCKHQYATHQLUBW-SRZZPIQSSA-N	458.341	3.554	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc2c(c1)OCO2	2312628	GTKFAGYILQKZRA-OAHLLOKOSA-N	486.347	3.888	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1	9507167	VSQGDWVBWIBXQQ-UHFFFAOYSA-N	494.964	3.545	50	40	JHGB	
Cc1ccc(N2N=C(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1Cl	12859650	HZNPXPVLYQUINM-UHFFFAOYSA-N	456.974	3.885	50	40	JHGB	
CCCOc1c(Cl)cc(C(=O)NNC(=S)NCCc2ccc(OC)c(OC)c2)cc1OC	15526387	XHLJMQZFIOGJES-UHFFFAOYSA-N	482.002	3.506	50	40	JHGB	
CC(=O)Nc1ccc(/C=C2\SC(=S)N(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1	17223241	OAZXGSCIYVSZHH-WPKAYKDFSA-N	483.596	3.994	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1	28351149	DEIYOTYOVCEVKY-HMAPJEAMSA-N	454.512	3.514	50	40	JHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	58881654	OMAUEYRPPNROSG-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)c1	108189060	CGLSUQKCEDLJKP-FMCGGJTJSA-N	467.507	3.934	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1O	408805312	GCZAANZFEOWMIS-LLOPKGDWSA-N	454.308	3.997	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)CC1	408999729	VOSJREHEKIFXOU-OGLMXYFKSA-N	493.995	3.555	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc1	409012939	JGWIPZJXTVPMKT-SIMFPYGHSA-N	483.568	3.572	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409117476	OSAZOLXRCZBSCB-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409207842	BDTZEULQTAPKOJ-LSFURLLWSA-N	457.335	3.796	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC	409323504	PMJURNDQRDWOEU-QRVIBDJDSA-N	461.312	3.641	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1O	2316024	RTFOISZYFJIJRA-SSDVNMTOSA-N	490.383	3.591	50	40	JHGB	
Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	3175010	VYJZYPMTUOMISJ-JFLMPSFJSA-N	455.474	3.949	50	40	JHGB	
CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4)c32)cc1OC	4165433	JJCJXHBXKPKHPW-HSZRJFAPSA-N	487.560	3.859	50	40	JHGB	
O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)NNC(=O)c1ccccc1Cl	12632969	ZMNAGQMDECHCKI-UHFFFAOYSA-N	491.404	3.728	50	40	JHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c1	15226304	BHNMGIKWNIEYML-LSHDLFTRSA-N	457.236	3.869	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2	20232670	ZEUMGZZPSUGNLI-NLRVBDNBSA-N	479.558	3.578	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	28215180	VLXYQMHDXLAVHQ-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccc(C(C)C)cc2)cc1	59401610	GSPIIROPEVGOBA-WGOQTCKBSA-N	450.564	3.859	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1ccccc1	408655531	DHWTYGWEPWDJFO-MKXGPGLRSA-N	475.328	3.596	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)N1CCOCC1	408765648	ZDRSGVFMPFGYNI-LFIBNONCSA-N	460.317	3.777	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O	408825018	CJRQHOOQZZVZCR-CVKSISIWSA-N	486.569	3.548	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	408859360	SSYPAVRXXCXNHA-YZSQISJMSA-N	469.538	3.960	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408908629	WWACNHVIXRGVBR-WSDLNYQXSA-N	458.367	3.699	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	408980860	TYEFURFZNPYBMI-GKXUUXLPSA-N	463.288	3.685	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1	409334230	WHOSAEITUIMYNJ-UHFFFAOYSA-N	490.629	3.959	50	40	JHGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	409374350	NEQJBYJYDGNWAC-QPEQYQDCSA-N	489.269	3.792	50	40	JHGB	
CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(N(CCCl)CCCl)c1)[C@H](O)c1ccccc1	6089433	MPAQGQNPHJFAHN-LEWJYISDSA-N	467.393	3.674	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1O	19948680	FIARBJXUYKVLMV-WGOQTCKBSA-N	481.574	3.870	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19949511	YHZARMBXBVOWAJ-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	20209654	FRLZCEPLIMBGJX-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20233289	ZYLQQGYJRXPUPD-PCLIKHOPSA-N	496.545	3.728	50	40	JHGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-]	32581127	VTVBPROMIOXDND-XFVPJXQESA-N	487.516	3.591	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC	58912095	HXIZWYIZNKDZPU-MUFRIFMGSA-N	476.577	3.537	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)ccc1I	408747948	WAEBHTDMAMRFKS-AWQFTUOYSA-N	474.682	3.734	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(C)cc(C)c2)cc1	408773946	UNRGPJUCFWZBAQ-VULFUBBASA-N	479.558	3.686	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408782739	YUCDKEQKVVETDO-CVKSISIWSA-N	499.976	3.784	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCC(=O)O	408802749	GVUKHGDCLCBMNU-OXKJMQHMSA-N	465.344	3.913	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409009412	FLMBZZPXCZKFLW-WPWMEQJKSA-N	481.549	3.732	50	40	JHGB	
Cc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)c(Cl)c4)c(=O)c(C#N)c3C)cc2c1	409062186	PGNBYZHVJVEHON-NVJOKUIPSA-N	486.919	3.701	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1O	409120644	RMZYTSLQICSUQB-MFKUBSTISA-N	494.013	3.918	50	40	JHGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1	409247623	DVMKPNBHKKMGQD-NTFVMDSBSA-N	451.486	3.728	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(C)cc1	12250304	YKRMXONVHLIVOA-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)C3CCN(C(=O)C(C)C)CC3)c3ccccc3n2)cc1	12742110	VAKQDMSWQFUTMQ-UHFFFAOYSA-N	458.562	3.866	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1	15018701	KFFDQXLWYKYMEJ-DHRITJCHSA-N	466.365	3.753	50	40	JHGB	
Cc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)C(C)C)cc1	33028290	MUUINMIAQPVUSO-RUZDIDTESA-N	481.556	3.821	50	40	JHGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccc(Br)c1	96585595	FERCWIBIHIKKMP-JLPGSUDCSA-N	463.807	3.761	50	40	JHGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c1	408738202	SBOJCILWKRQQCO-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(I)c1	408889747	GSNRRAIDHRJINZ-CNHKJKLMSA-N	473.064	3.546	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)c2ccccc2)cc1	408914326	WHACNKXNOLZDGK-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	409096234	JUXVGNLWLHSKCJ-SWNXQHNESA-N	463.071	3.899	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl	409139376	ACLORMBVKMIBLI-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1	409158383	OLXDGMQGVMUCTG-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	409184315	GBAMIZQLNUWGSA-KOEQRZSOSA-N	496.545	3.729	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccccc2)cc1	1277487	NRKURKWHSIWFGV-CVKSISIWSA-N	487.541	3.884	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1Cl	3116409	UGQTVCXSURWDTR-XODNFHPESA-N	483.883	3.587	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC	8812432	PENVOJDIOJKOSD-FOKLQQMPSA-N	467.291	3.693	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1	9440252	KJUGXTWLDKPJPP-CAPFRKAQSA-N	482.606	3.872	50	40	JHGB	
Cc1c(NS(=O)(=O)c2cc(NC(=O)CCCl)ccc2Cl)c(=O)n(-c2ccccc2)n1C	9613418	FJBTVLGGVSGRRA-UHFFFAOYSA-N	483.377	3.506	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	9730615	KETQYKYPUBJGAL-ZVHZXABRSA-N	477.970	3.512	50	40	JHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1	14920971	RUPJBMSLHVZYBG-OSLDRDPGSA-N	480.502	3.595	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	20210937	BYZPZIMINWVFNM-BRJLIKDPSA-N	471.501	3.657	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1	59436977	FCCQNZJMHIZTSV-WPWMEQJKSA-N	482.537	3.520	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)NCCc1c[nH]c2ccccc12	408950610	TZWJOIYDLNBEPJ-WJDWOHSUSA-N	469.339	3.626	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1O	408974151	VWFHATFLBXOOTI-MOLSVDMISA-N	475.570	3.981	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)COc1ccc(Br)cc1	409100638	RBKRAPNKHNHCGO-YDZHTSKRSA-N	462.344	3.596	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1	409118048	MUIHWKZTRDJLAJ-WGOQTCKBSA-N	453.539	3.729	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1	9861004	KEZGDRSQVMPIJQ-OAQYLSRUSA-N	487.516	3.525	50	40	JHGB	
Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccn2c1C(=O)c1ccc(F)cc1	13109157	CNWJZSIGGLYAQT-SGYITJBJSA-N	457.461	3.908	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C	14019338	VTUSKBRXDPKXAI-HYARGMPZSA-N	475.549	3.643	50	40	JHGB	
COc1cc(C2=C(C#N)[C@H](N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O	20477718	COETWHXPNNCNGN-HXUWFJFHSA-N	453.296	3.660	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1	58853874	LQNOBBJHFISETM-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)cc1	59459547	JBGMEBFWPFYYGY-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)N[C@H](C)CCc3ccccc3)cc2c1	199413200	UFHYADZMQMBRPL-GOSISDBHSA-N	464.566	3.635	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c(OCC)c1	408911802	OKRFKHKELOIIFN-QZLJHNFXSA-N	455.555	3.928	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408939142	MWXOROAKWATTGV-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408964491	CQQAHYKEEQZWGC-ATVHPVEESA-N	454.939	3.941	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	409099773	LNTIWDVUSGPXCZ-TURZUDJPSA-N	459.546	3.690	50	40	JHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc(Br)cc1	409217539	CZVHCDWCJOEHQP-NHDPSOOVSA-N	458.224	3.933	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1	409269582	KKWBNTYOCVRTMK-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nnn2-c2nonc2N)cc1	2264448	APPCQIRJTHHJPR-RWPZCVJISA-N	494.515	3.551	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	9630927	PMGOMWLLISGIKW-AYWZDVOASA-N	497.636	3.766	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc2c(cc1Br)OCO2	16525206	BGWQGPWUOGHONE-UHFFFAOYSA-N	478.302	3.796	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	20059961	YGGPVVVOPFPPJT-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	21290094	KYKCUNGPJCIJDX-UHFFFAOYSA-N	469.567	3.531	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)CC1	57315307	OHHNRXPLINBLBB-OGLMXYFKSA-N	472.545	3.510	50	40	JHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1	59959825	DDBDWNWHMQPYPD-VSWHYLHOSA-N	478.936	3.685	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(Br)cc1	408768511	GPLNUESWXDOOIF-HZHRSRAPSA-N	474.380	3.909	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)c1	408877393	VOAIAYLRJFUQBO-XQNSMLJCSA-N	473.576	3.501	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	408886865	JIVAACDZYAJDTF-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	409168201	LEHPDPSWOYHWAZ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)nnc1-c1ccc(Cl)cc1	1236809	RQHOAMRQTCEARG-WYMPLXKRSA-N	489.985	3.887	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1	2176124	KQXOSMGDLRJCLO-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1	9192298	CLXSKVPEOFXORQ-HXUWFJFHSA-N	476.489	3.636	50	40	JHGB	
COc1cc2nc(SC)n(CC(=O)N/N=C/c3cccc(Br)c3)c2cc1OC	16215110	DMWOUIASMCZDTP-UFFVCSGVSA-N	463.357	3.688	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(C)c(Cl)c2)cc1	20207127	CYZPINZBLKVRAL-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
CCc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)nc1	28631835	UGABKQZKMBNGMO-DICXZTSXSA-N	463.490	3.653	50	40	JHGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccc1O	31885640	QLCPEQPWLVUFDW-WGARJPEWSA-N	474.542	3.651	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC	33445660	VGXQXPLYBZNIGZ-WYMPLXKRSA-N	471.307	3.927	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1Br	408728264	YRDAHEBLNCKHIS-KEBDBYFISA-N	451.346	3.807	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)cc1	408729528	CEJWKUVLNLWWEV-SRZZPIQSSA-N	489.355	3.646	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409009580	GJVRHMGFYKKWTL-LQKURTRISA-N	490.560	3.616	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)c1	409161748	ZCOSAZFVYNXZGN-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1	409268249	YJZVVPUFNHXFKE-ZTAUZCEESA-N	461.493	3.917	50	40	JHGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408753157	IFUIYKZOOFUAMJ-UFWORHAWSA-N	485.088	3.809	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	408830523	SCKUUSKCVIWOIW-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1OCC(N)=O	672945	OWLYQPLHGSYPBQ-YCPBAFNGSA-N	477.304	3.593	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21	8964760	FIRNDJIRMHFYIH-SQVRLAAPSA-N	453.546	3.676	50	40	JHGB	biogenic
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)[C@@H]1COc2ccccc2O1	9046293	PNDDVDGPXBJINX-OUJYPELJSA-N	492.329	3.656	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(Cl)s1	13804951	CNWXCQPSZUIXHZ-SSDVNMTOSA-N	488.986	3.702	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19948292	DHRSSPYHWHUFLP-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	20213626	CESGHXZBZCUGMQ-LQKURTRISA-N	470.554	3.679	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc1	20763900	BIPMGBJHVVEDFH-RGVLZGJSSA-N	454.264	3.558	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1	59101684	COEWBWHLUQAZBK-JFLMPSFJSA-N	465.481	3.901	50	40	JHGB	
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(=C=N)C#N)N[C@@]2(O)C2CC2)cc1	334157681	BQBFBDKQCOAIEK-QPTUXGOLSA-N	475.370	3.548	50	40	JHGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408729989	CZTGHNVHMKUPPF-RPPGKUMJSA-N	489.513	3.704	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)ccc1I	408745763	AEGHLVKMBWQYKM-UDWIEESQSA-N	453.280	3.647	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408787073	QQGAEBDZSNTXPL-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br	409375236	HOCGPGQDEMTRCB-SDQBBNPISA-N	465.687	3.906	50	40	JHGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	711028	YMWJTFYEDKKXBN-XIEYBQDHSA-N	496.545	3.932	50	40	JHGB	
COc1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1	9849722	DJDQFGKBNRDJID-CYBMUJFWSA-N	467.444	3.539	50	40	JHGB	
C/C(=N/NC(=O)CSc1nnc([C@@H](C)Nc2ccccc2C)n1C)c1ccc([N+](=O)[O-])cc1	13882180	QQTVIBUPDUKTCR-OYJNRBEISA-N	467.555	3.837	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	16249958	QQENKTHVLLMDKJ-DHRITJCHSA-N	455.967	3.817	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O	408640698	BNDCOQFHQJJWTN-QGZVFWFLSA-N	478.288	3.635	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1	408921827	CGXKIUXUSAKVAS-GHRIWEEISA-N	478.482	3.707	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	408935651	GIZPOEJXAQYASY-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(OC)c1O	408996923	BZIGMWPMGWQLBQ-NQLRXCNRSA-N	483.565	3.690	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OCC	409310093	QFSVDWHRJVILFN-FMCGGJTJSA-N	477.311	3.640	50	40	JHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1Cl	409339960	NMUNIVBXXHWHGM-UHFFFAOYSA-N	483.421	3.528	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccc(C)cc1	1474369	GHDXPRFKAMVPKL-SSDVNMTOSA-N	474.384	3.984	50	40	JHGB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCBr	8952445	NCBNMANRGIKJRT-ATVHPVEESA-N	473.323	3.834	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	20059986	FQRZJYDQPWQBIA-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(OCC)c1O	59301919	AKFGGCIUXZPJHX-SRZZPIQSSA-N	466.275	3.594	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408828255	LIIWWKIJHPGPSZ-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	409027572	FTNAGZKGIDMACJ-CVKSISIWSA-N	470.570	3.712	50	40	JHGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409124973	CTWBZINHGPWAMF-IBGZPJMESA-N	456.340	3.590	50	40	JHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	1209132	RCKPQIKXNIZCSV-DNTJNYDQSA-N	488.123	3.630	50	40	JHGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	9553856	LHPORFYYXYUEEX-RJOLPRBJSA-N	497.301	3.951	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cccc(NS(=O)(=O)c2ccccc2)c1	17143438	CATHAJWEBZLLEL-FYJGNVAPSA-N	462.325	3.997	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C	25415465	RHPBFFLJGHUGDO-UHFFFAOYSA-N	487.965	3.841	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	408776461	OIUKGUXJVKETMQ-XIEYBQDHSA-N	480.546	3.893	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OC	408886956	NBSYCIPQQLPUPT-MDWZMJQESA-N	492.269	3.942	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1I	408904704	NHZJCUJWOMZOOH-JMIUGGIZSA-N	458.683	3.872	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1OCc1ccccc1	408906535	GTXAEKXHKHENIO-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2OC)cc1	409027934	GOZYWSZVQLJEFD-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1I	409070683	LRGKQIVLOJOFSU-UUYOSTAYSA-N	467.282	3.803	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1	1298918	QXIKRGSZXSWFFR-FSRJSHLRSA-N	482.584	3.824	50	40	JHGB	
C#CCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2cc(Br)ccc21	2322106	NZTDPGGPGVUORF-QYQHSDTDSA-N	461.319	3.515	50	40	JHGB	
CCOC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc1	8452378	JXSKTMYKRLEGOV-MFKUBSTISA-N	482.562	3.673	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OC(=O)c1ccco1	9090549	PNPGUVKEENQSOB-CAPFRKAQSA-N	497.511	3.989	50	40	JHGB	
CCCOc1ccc(C(=O)NNC(=O)CSc2ccc(Br)cc2)cc1OC	12696158	XVQSQYOXQWBHTA-UHFFFAOYSA-N	453.358	3.800	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	18254259	BETFKBBLWOLYCT-UHFFFAOYSA-N	487.535	3.716	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC(=O)O)cc2Br)cc1	30791314	WXENIGCLPSTIAD-ZSOIEALJSA-N	475.295	3.865	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cc(C)cc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	33436224	URGOGHDWQNZVFF-YSMPRRRNSA-N	482.558	3.917	50	40	JHGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1Cl	408616139	WMFIZGSHWUQYHO-SNVBAGLBSA-N	471.138	3.570	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408885947	HDLNQKQBKOYUQY-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409151777	CALBCHFGEJEQNZ-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Cl)cc1	409248496	DLEIKTAKVMHGJE-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NNC(=O)c2ccccc2)cc1	2157833	QHILWGXELVCYTP-RCCKNPSSSA-N	494.345	3.690	50	40	JHGB	
Cc1c(Cl)c(C(=O)NNC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)nn1C	2761869	JAHSWNWRUVBHES-UHFFFAOYSA-N	457.701	3.936	50	40	JHGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	4167340	DFQOQAAZMSFOKA-LJQANCHMSA-N	458.453	3.841	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC	9411354	VNXRJYPQXNGKOB-LJQANCHMSA-N	478.505	3.728	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O	9553959	IFUOXACSSXXAIN-FBCYGCLPSA-N	474.153	3.710	50	40	JHGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1	13811408	ZSYGZOBHKLQIMO-ACSPXDACSA-N	458.518	3.614	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1Cl	408896809	TUPPIKORIMJZRP-AWNIVKPZSA-N	468.678	3.924	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1OC	409318573	YRQPUZFDRINTJK-ONUIUJJFSA-N	496.541	3.800	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)cc1	946508	AWBKOPCVKASPSZ-UHFFFAOYSA-N	473.378	3.584	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc12	9381750	GUXJCLHTHOUZSD-AWEZNQCLSA-N	460.581	3.625	50	40	JHGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)cs2)cc1	13021178	MDAJUIGVUBJDNQ-UHFFFAOYSA-N	473.558	3.664	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)c1C	14186110	ZRVHSYQTANDNHX-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	19952777	WZYJLVRUSXVBEF-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	59443800	WTKJGVDEYBTLQR-OVVQPSECSA-N	477.586	3.901	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(F)cc1	408658869	JDBOEUSNNUEJEM-RDGPPVDQSA-N	493.318	3.735	50	40	JHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1	408752416	AMEMIOORKSUDED-CPNJWEJPSA-N	463.471	3.586	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	408978566	JDEOYRFSLVAHBO-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)OCc1ccccc1	408990548	NZLAPFFPBICWJB-CMRFDPCTSA-N	497.555	3.977	50	40	JHGB	
C#CCOc1c(I)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	409141506	IESDKYGTURCXIU-SFHVURJKSA-N	490.297	3.517	50	40	JHGB	
CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	597628	DMKSVUSAATWOCU-FQYCKJJOSA-N	466.958	3.917	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1	8993799	OWNYHWJZZMDVGH-ZVHZXABRSA-N	484.534	3.895	50	40	JHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	13595258	VTDPIGUMDOFKNH-LSCVHKIXSA-N	457.078	3.518	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1	13943948	UFDKRHMWLLFFSZ-NBVRZTHBSA-N	478.482	3.707	50	40	JHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19926330	QPFHGRAIYYEQOQ-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	33613292	FRBJKUNLQIZAFA-SSDVNMTOSA-N	457.464	3.524	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	408760708	DOBYKTPFIAHQCO-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	408852886	JMQVKWFXBIJQPU-RHANQZHGSA-N	483.572	3.672	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026108	GJCWUOOHFAOJAB-MXJLDLDKSA-N	482.518	3.692	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027783	HHMOKUDPIZAVQY-FIKCODCVSA-N	480.590	3.850	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409110898	AAEQGWVSJRRIJL-XIEYBQDHSA-N	451.548	3.983	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c1	409152335	KCRLWAMLJLJPTK-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1	825478	OZJJKRMFDQAVJJ-BUVRLJJBSA-N	450.568	3.638	50	40	JHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)cc3)ccc12	8823911	RQGALLZKHAOZRS-UHFFFAOYSA-N	473.441	3.663	50	40	JHGB	
Cc1ccc(-c2nc(C(=O)N(CC(=O)NNC(=O)c3ccccc3Cl)C3CC3)cs2)cc1	12940502	PSERSHCHPWMTKI-UHFFFAOYSA-N	468.966	3.838	50	40	JHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1	20209783	SFAUPQUTYDKNQH-UHFFFAOYSA-N	458.422	3.924	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c(OC)c2)cc1	97994784	NXUXUXDVSHNCQQ-JYRVWZFOSA-N	464.259	3.863	50	40	JHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1	408757864	DNJMYGBHPQWYSX-XMHGGMMESA-N	463.471	3.586	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1	408858331	RUYSOWUGBWHWOK-QINSGFPZSA-N	471.922	3.966	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OS(=O)(=O)c1ccccc1	409323659	OXMMYYZSZWSXQN-XYGWBWBKSA-N	484.530	3.634	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc(OC)c1O	1080341	AVZKQTBNRGNADG-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1	2162861	WSLPUAQCPMCUKI-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cc(C)n(CC(C)C)c3C)CC2)cc1	2630388	JUJDTXIULLBULJ-WGOQTCKBSA-N	488.654	3.711	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c1C#N	9310032	RNPHALNFEMHMCK-KIBLKLHPSA-N	483.868	3.759	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	58913684	OLTZSCGPRUDBQL-JFLMPSFJSA-N	460.534	3.976	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1	58924903	FPKUUAYTSSHEEK-HZHRSRAPSA-N	457.577	3.801	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408607177	CHHWSGNGEVRUBU-FOKLQQMPSA-N	452.736	3.658	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)cc1	408876077	MPPMGXUDPVNKTA-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1c(Br)cc(Br)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409136307	YKBXYLDSSZRHMR-OAHLLOKOSA-N	467.161	3.950	50	40	JHGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C[C@@H](C)O1	9381783	FGMWUZYGCGMLIB-CHWSQXEVSA-N	480.999	3.505	50	40	JHGB	
Cn1c(CC(=O)NNC(=O)CCN2c3ccccc3Sc3ccccc32)nc2ccccc21	9631506	DOLYKLLEBHGMSL-UHFFFAOYSA-N	457.559	3.956	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O	16688778	JXZHUDRSRNFWMB-CVKSISIWSA-N	485.537	3.584	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	20213600	PJRSEGDXFGQWLP-YZSQISJMSA-N	466.563	3.606	50	40	JHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	58980252	VQEQAGMXCSIYJA-MFKUBSTISA-N	471.966	3.750	50	40	JHGB	
Cc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1	102939379	FHWMPIRZYYVFPF-GFMRDNFCSA-N	455.356	3.682	50	40	JHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1	107563179	RBEGQUSCEFWZHC-UFWORHAWSA-N	455.106	3.640	50	40	JHGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1	107873970	PVBPEHDCSCSJHY-PKAZHMFMSA-N	495.601	3.744	50	40	JHGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N	408546149	DLJBJRRZMDVBMW-LICLKQGHSA-N	466.515	3.766	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cc(Cl)cc(Cl)c1	408784699	RXKVAXLGBCLIMO-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)OC	408798892	XEDOCCNGRTZIML-RIYZIHGNSA-N	475.295	3.651	50	40	JHGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCCC2)c(F)c1	409103104	ANFCIAPEFWDWHB-UUYOSTAYSA-N	467.282	3.560	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409218595	VXTOLXQTMAGENR-ZVBGSRNCSA-N	471.760	3.897	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409304110	QCLXVQYXEXXFFJ-LEWJYISDSA-N	499.976	3.848	50	40	JHGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1	2417692	OBMGWJGJQZVFKF-LTGZKZEYSA-N	489.601	3.757	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1	19952066	VVGPVAKCSGWDRG-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	28215722	JMWOTDOPFUKTDH-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
COc1cc(/C=N\NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	32138966	YVPHYXDWUSRGSM-KSEXSDGBSA-N	483.462	3.941	50	40	JHGB	
CC(C)c1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	85886320	UWBVOHNXIVFUQB-OPJDEBTLSA-N	467.529	3.668	50	40	JHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)cc1Cl	408721258	NRJMAJPEEIRNNB-KBKYJPHKSA-N	491.895	3.741	50	40	JHGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	408866174	GCFLAQAEBMNSDH-WYMPLXKRSA-N	463.346	3.734	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(O)c(Br)c1	408971132	MUOLIQQTUXDVGK-AMAFCZHPSA-N	476.371	3.523	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1	409023650	AMPKCHYBLCJUSJ-WPWMEQJKSA-N	495.601	3.753	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409158181	NVMLNOJXZMKFCF-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1	409164563	KHFUKRLRLXOVDU-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)O	409191543	YSRVUDQVZVATDD-ZVBGSRNCSA-N	455.692	3.729	50	40	JHGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-]	409219686	TXIBBIWIATWULB-WBSMNGCKSA-N	476.401	3.591	50	40	JHGB	
C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1	3231518	ORGZKRDQOLKWHM-UHFFFAOYSA-N	472.611	3.630	50	40	JHGB	
CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N/N=C/c3ccccc3O)nc2s1	8400213	PISMMUMRNZQXSU-ZMOGYAJESA-N	464.572	3.958	50	40	JHGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9381779	NKBPPVGGUXIKNQ-UHFFFAOYSA-N	450.973	3.881	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3F)nc3ccccc32)cc1	12525137	XHQLHLBWNNXUSL-UHFFFAOYSA-N	450.495	3.727	50	40	JHGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)Nc3cnn(Cc4ccc(Cl)cc4)c3)c12	22754377	BATYDHXAWLVJFR-UHFFFAOYSA-N	495.012	3.684	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)nnc1-c1ccccc1	32704169	JCDVPQDFEDGPKF-JJFYIABZSA-N	490.383	3.684	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(Cl)c1	58881057	VVRBWCILRPEUHR-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2	101008999	NOJCAOMULLVJPJ-OAQYLSRUSA-N	481.490	3.928	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	101150570	JAFJTLMZCVSLGT-PTEOKISQSA-N	467.079	3.988	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(O)cc2)C2CCCCC2)c(C)c1	106193972	RTDSFKLFCIVMIA-MYYYXRDXSA-N	457.596	3.791	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(C)C)cc1	408763953	GZIJGHVRJVUTSQ-HBAGGBEISA-N	498.561	3.925	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408768165	UKSVQWQJJXNMOZ-JVWAILMASA-N	493.585	3.883	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	408976392	AQUKGSGELFQENS-YZSQISJMSA-N	465.575	3.735	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccc(F)cc2)cc1OC	409130609	ILLJSIRCDWOUNR-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409310874	CIWBWCXQHOBDAB-QFEZKATASA-N	465.462	3.964	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(I)c1O	1440649	RKXGJPPZBRUHPH-UFFVCSGVSA-N	468.291	3.541	50	40	JHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567742	VLLVLSMXWBNXRO-VWLOTQADSA-N	459.937	3.806	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	19951277	IHSSPFUCYXFHGR-LFVJCYFKSA-N	487.379	3.580	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C)cc2)Cc2ccccc2)cc1C	33390013	NUYDDRXVZWJPHY-QQXSKIMKSA-N	465.575	3.653	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1	100747731	IPDCVXXNSMFTCE-BWUCGBNQSA-N	499.571	3.521	50	40	JHGB	biogenic
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	408602096	AIUXZAUAHPWMNS-NRFANRHFSA-N	462.531	3.832	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(C(F)(F)F)c2)cc1	408782335	FUUMQYDGRJIPAJ-DHRITJCHSA-N	465.453	3.952	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)OC	408795785	WGBWKUVWXGCUDW-OQLLNIDSSA-N	489.322	3.954	50	40	JHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)NC1CCCCC1	408832961	SHSGZYIFFGGKJI-PTNGSMBKSA-N	454.914	3.544	50	40	JHGB	
COc1cc(Br)c(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC	408886344	GJNXWBXEJDJYIN-AWQFTUOYSA-N	450.314	3.850	50	40	JHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)cc1OC	409006652	QODSHQXGIKGHMJ-JVWAILMASA-N	461.518	3.565	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1cc(Cl)cc(Cl)c1	409160074	PPEXOIYTXAAZPE-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(OC)cc1	873421	KABNPTCIYHQIEY-VWLOTQADSA-N	489.528	3.926	50	40	JHGB	
CCOC(=O)N1C(=O)/C(=N\NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c2ccccc21	2297083	YEUVQFITFGIYEX-HFTWOUSFSA-N	474.448	3.715	50	40	JHGB	
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)n1	8867556	FPZKZEVHTGLXGP-UXBLZVDNSA-N	482.971	3.649	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OC	28217856	UDRMLPVIGJTNCB-MFKUBSTISA-N	488.382	3.619	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332887	ZSOFWGIDBCDDFY-QZEUEOACSA-N	491.556	3.973	50	40	JHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)cc1	408711873	ONNNHIBSLWYIEO-XKZIYDEJSA-N	482.318	3.790	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)c2)cc1	408759349	COASTPDMIFTCKA-ZVHZXABRSA-N	480.571	3.881	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OC	408812259	OEQDIJGDSDAYOI-SXGWCWSVSA-N	492.313	3.930	50	40	JHGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	408970683	BXMCNFMOZSIIJO-ZXVVBBHZSA-N	477.586	3.817	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(OC)c1	408980722	SPMXVHANJMEGCJ-OINMWHHXSA-N	481.574	3.572	50	40	JHGB	
COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1	409158219	XRKFDTCYJPXASL-ZMFRSBBQSA-N	484.350	3.835	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@@H](C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)C(C)C	409167889	JUKLOSYABLANHO-OGCGYOKDSA-N	477.517	3.623	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(Br)c3)cc2c1	409186364	AYNCOZNEQRFWEC-YVNNLAQVSA-N	461.268	3.821	50	40	JHGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-]	409226091	SQUADRAOSAAMHI-DSQTZZKQSA-N	476.401	3.591	50	40	JHGB	
CCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)cc(OCC)c1OCC	12747547	BLDPODJFKVHREZ-UHFFFAOYSA-N	476.473	3.525	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567653	VUCZYLFCSNTWJQ-MUUNZHRXSA-N	466.516	3.901	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20207811	GRSSEONVNCXCLV-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	22797848	MUROJCOMGXGUDZ-JBASAIQMSA-N	486.616	3.951	50	40	JHGB	
COc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl	62715945	BXVNIHXBHNXJCM-VOTSOKGWSA-N	470.776	3.568	50	40	JHGB	
COc1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1	408685748	QFKLATHUKMFULZ-YRYYUTHUSA-N	458.308	3.997	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(I)c2)cc1	408792794	CGZSPMJGHHRFCP-XNTDXEJSSA-N	487.253	3.526	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1	408796233	XMBCNKFTGRCEEQ-OQLLNIDSSA-N	473.279	3.635	50	40	JHGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)o1	409181569	CSLNKYILVZLMKR-WYMPLXKRSA-N	470.270	3.985	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1Br	2256017	JAOSRMCAMARAPK-FQEVSTJZSA-N	479.334	3.589	50	40	JHGB	
CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	4157171	UHYUGFZZQCOSEF-QGYQQZFISA-N	499.199	3.926	50	40	JHGB	
O=C(NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1	9096981	BQUUYOPYXLLXTH-UHFFFAOYSA-N	473.433	3.547	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)c(OC)c1OC	9846856	BIRGGIQZYVHQRE-LJQANCHMSA-N	465.531	3.511	50	40	JHGB	
O=C(N/N=C\c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cn2cc(Br)cn2)o1	15985948	NTZQMVXQJKADOR-WVHIBCRRSA-N	463.160	3.746	50	40	JHGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	16430208	YSAANQKZBCKEKR-SRZZPIQSSA-N	458.224	3.933	50	40	JHGB	
CCc1c(C)sc(NC(=S)NNC(=O)COc2cccc(C(F)(F)F)c2)c1C(=O)OC	20191493	XMVYRROJDCQPRX-UHFFFAOYSA-N	475.514	3.821	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccccc1Cl)Cc1ccccc1	33572793	JFLLKESHAMVRFI-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	100558568	JAFJTLMZCVSLGT-LVTVNPDKSA-N	467.079	3.988	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCC(=O)O	408806633	ANTOIINZUIGCLC-QPEQYQDCSA-N	463.259	3.996	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	408860927	IRNJXZFCTXFZQF-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1	408941097	PPMMBWQQEZRIIX-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OC	409005202	DQLHNWQOUDOIKK-WKULSOCRSA-N	490.560	3.900	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O	2418099	UPRUEEBLDVLDPJ-JQIJEIRASA-N	452.898	3.590	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1	3193882	XTJCYKXRSBCBCA-HYARGMPZSA-N	459.321	3.981	50	40	JHGB	
O=[P@](Cl)(OCC(Br)(Br)Br)N1CCOCC1	6860423	LROSUTJPBMEPEY-OAHLLOKOSA-N	450.289	3.521	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8951374	XVTWXSQLOHLZOW-XZOQPEGZSA-N	453.477	3.888	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccc(C)cc4)n12)CC[C@@H](C)C3	13499750	ISZCAODJKABEJL-CQSZACIVSA-N	494.646	3.888	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cccc2ccccc12	13749799	LSKJWQNQJRJXRB-CVKSISIWSA-N	484.545	3.832	50	40	JHGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNc1nnc(-c2ccccc2)n1-c1ccccc1	31622339	XRVZDUIFBULGEX-UHFFFAOYSA-N	454.538	3.737	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1F	33759802	UCCHPQWAXRLPCQ-MXAYSNPKSA-N	466.425	3.524	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1C	408607863	FIFLXNPNNZJLKE-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC(=O)OC	408817504	NJUWPBXIDMMXGN-BKUYFWCQSA-N	464.518	3.598	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc2c(c1)OCCO2	409113407	ASYKQJAYMYBIDL-NLRVBDNBSA-N	479.558	3.745	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2)cc1OC	409125292	JQSZNLFWNLZESP-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409159576	RDLQHGIZZZXBMZ-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C	409163221	NUOGQEUFRLICTC-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC)cc2)cc1	409227235	UMZCUZLULIIWQD-YSMPRRRNSA-N	490.472	3.935	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409321630	UAWRVPUBBGNREL-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	663590	QDRUMSXMRKGZJR-SFHVURJKSA-N	452.923	3.942	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccc(C)cc2)cc1	1474544	RSTVTPVCSYLAKI-VULFUBBASA-N	489.557	3.905	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC	2176001	GGDWLCAJCAPVDZ-SRZZPIQSSA-N	466.129	3.996	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1	9762471	FSKGFQAJJIIHGW-JLPGSUDCSA-N	453.568	3.923	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1O	16194798	OZLBYVFSIAQDTI-ZVHZXABRSA-N	455.308	3.550	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059093	BDEIRAKALOACQG-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	20214589	WSFRDCXJTWMANA-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
CCN1c2ccccc2C2=C([C@@H](c3ccc(Br)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558381	JUQBLOMWLJIHQB-KRWDZBQOSA-N	458.337	3.795	50	40	JHGB	
O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	25388498	FIMREMCVKFBFCR-UHFFFAOYSA-N	499.892	3.785	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2ccccc21	102953660	UQQARZVHBDQNTG-DAFNUICNSA-N	482.949	3.641	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OC	408535245	YBYSECBROXPQOK-SSDVNMTOSA-N	467.307	3.569	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1	408606770	AWYRLHIXBVZTHU-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)c(OC)c1	408883814	RBKIRUQICMRSSW-VIZOYTHASA-N	461.312	3.707	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1cccc(C)c1	409006454	JJSGTIACRYSVAR-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccc(C)cc2)cc1	1474534	XGUHTJAQLWDVPC-MFKUBSTISA-N	460.563	3.832	50	40	JHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(C)cc2O)cc1OC	8683378	LIGNYXLMLKPAKC-JFLMPSFJSA-N	458.518	3.809	50	40	JHGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)cc1	9499767	IWBQNISDAGIIFG-LGJNPRDNSA-N	484.545	3.750	50	40	JHGB	
Cc1sc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C	9661993	YLOKXFUDMMDDLS-UHFFFAOYSA-N	482.562	3.756	50	40	JHGB	
CCCCCn1nc(C(=O)NNC(=O)c2ccc(Br)cc2F)c2ccccc2c1=O	12851470	AVYPBSZHNRPBKX-UHFFFAOYSA-N	475.318	3.563	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1	19937052	TUHGDKITMCUIFV-LGUFXXKBSA-N	462.575	3.898	50	40	JHGB	
CCOC(=O)[C@@H]1C(SCC(=O)c2ccc([N+](=O)[O-])cc2)=NC(N)=C(C#N)C12CCCCC2	28465161	POEWZZLKZFROLZ-SFHVURJKSA-N	456.524	3.746	50	40	JHGB	
O=C(COCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C\c1cc(Cl)cc(Cl)c1	31723763	AZTDNORIHJGXDV-GNIJEABVSA-N	476.147	3.917	50	40	JHGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c12	105829353	FFYYHXHANJBNNL-GDWJVWIDSA-N	487.523	3.901	50	40	JHGB	
COc1ccc(NC(=S)NNC(=O)c2cc3cc(Br)cc(OC)c3o2)cc1	408585403	GJIYKNZQZXYXHQ-UHFFFAOYSA-N	450.314	3.844	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)c(C)c2)cc1	408779543	YDKJTTVAMINWDL-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408784782	SQZHSRPNFSWHDC-JVWAILMASA-N	493.585	3.744	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1	408965898	JQGNVGIZMBTCCL-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OC)cc1OC)c1ccccc1	408981953	WRRRGVTVUDSZJQ-WQGFDPGOSA-N	478.343	3.794	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1	409004458	CYWPSANAKWQVDJ-JVWAILMASA-N	483.565	3.874	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc3ccccc3Cl)o2)cccc1[N+](=O)[O-]	409175387	RDSNPKSWZAPQAC-FCUAXUHVSA-N	484.896	3.850	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	4398362	DMERSPWLMYWCRX-DHIUTWEWSA-N	480.484	3.657	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1	8769735	NXJLCMHOAXCVCQ-ATVHPVEESA-N	477.970	3.922	50	40	JHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1OC	12695362	PNZYFHCPXUFBBG-UHFFFAOYSA-N	495.536	3.719	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926235	YQWMGGHGSYCPNZ-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	20061134	WYWZSFKQSSQTJK-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	33857470	JYLYZLVQPWDMMH-UUYOSTAYSA-N	473.283	3.704	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	35252429	CRWIMYCCCLMXRR-ZVBGSRNCSA-N	492.307	3.888	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1Cl	59472792	SCURFLGRALRWIB-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1OC	100887953	XMUFYKVKUNEGNO-FHWLQOOXSA-N	489.475	3.805	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	408607505	DJPGXLFZGLVOKI-WPWMEQJKSA-N	459.502	3.928	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408718591	FUNQVQPVQVKGPN-MYYYXRDXSA-N	492.444	3.814	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c1	408970529	AYLGBWKAGXNXTK-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	409155442	PXDDYZBXUGVXEF-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C)c2)cc1	409223804	ICODPRIDWBMSSH-QFEZKATASA-N	460.446	3.845	50	40	JHGB	
C#CCn1c(C)c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21	409366634	XJKNWZLUXVKUJJ-ZMOGYAJESA-N	470.314	3.750	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	9311259	YVPHYXDWUSRGSM-FOKLQQMPSA-N	483.462	3.941	50	40	JHGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc4nsnc34)cc2C1	19079003	GHPZDUAEWWQFOS-LBPRGKRZSA-N	450.611	3.527	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	58853561	SNQQJNMMILHKMO-CVKSISIWSA-N	486.569	3.548	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccccc1Cl	59247146	KNPJIRBIVFZXKY-YUMHPJSZSA-N	471.985	3.829	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccccc1	408655535	DHWTYGWEPWDJFO-RDGPPVDQSA-N	475.328	3.596	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408765344	PDRJTFUBEIIIBN-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969178	IQRIJWPZPCSPLL-BOOTZKDASA-N	467.566	3.628	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409062826	BJBZFBDBJJJWRK-QFEZKATASA-N	462.462	3.693	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1Cl	409171152	ZDBGFMKWJQUKMS-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)ccc1OCc1ccc(C(=O)OC)o1	8826063	GVPISKCNWSNEIM-VULFUBBASA-N	476.489	3.764	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1	12032384	TVQOTRMLZNSHNC-UYRXBGFRSA-N	498.586	3.600	50	40	JHGB	
COc1ccccc1[C@@H]1[C@H]2CN(C(=O)OCc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19851969	LAONXHQLDPRNSR-LADGPHEKSA-N	465.513	3.757	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1	20211067	YUPXCZNJDUHCIT-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21	20530732	GJWJKRWEOQPNHL-QYQHSDTDSA-N	463.563	3.621	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1F	58853367	UCNVRWGEWWZIDN-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	58915130	LUQLNWYRLLFVRO-RHKYMZEHSA-N	482.606	3.716	50	40	JHGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1	226334413	JGQNVBBFCZYBKY-XBXARRHUSA-N	473.108	3.636	50	40	JHGB	
Cc1ccc(C(=O)NN/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408530471	IYIROOCDHRRFAK-LFVJCYFKSA-N	498.583	3.864	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408608290	HBFNCBGHXOLXCN-FOKLQQMPSA-N	452.736	3.658	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408608713	IJDWZUSJOXUSQU-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1OC	408771576	IABGHELCPKAWPQ-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(Br)cc2)cc1	408784472	SXAVBIFAEKXXOG-LPYMAVHISA-N	476.352	3.696	50	40	JHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409000544	YQKIWEFKYQCNEQ-YDZHTSKRSA-N	463.406	3.528	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1	409006580	PNTMPNKIVLCJIP-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409124974	CTWBZINHGPWAMF-LJQANCHMSA-N	456.340	3.590	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OC)C2=C1CC(C)(C)CC2=O	409131383	JEEGTBOFLMCADU-LJQANCHMSA-N	460.372	3.840	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)c1	409163259	OMBVWRGCFJZFQX-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(I)c1	840391	QVYNIXKRBCYOPX-VIFPVBQESA-N	479.101	3.827	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)ccc1O	1270748	YTFLIXGVDQJYEJ-LGJNPRDNSA-N	494.960	3.996	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)cc1	1326666	CGXKEMNZHIBGSP-DNVCBOLYSA-N	487.438	3.655	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	3143863	JAMVKRRQMUFECY-ZMOGYAJESA-N	467.434	3.643	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	20059635	SVIRYANNNHBKPP-WSDLNYQXSA-N	452.319	3.932	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1OC	28218042	FTHSOFODBZFFMD-KEBDBYFISA-N	479.243	3.603	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC	33734322	CYPARSBZDUVFPN-RGVLZGJSSA-N	483.262	3.761	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(O)c(I)c1	96585230	LUMUOOBOBWJNOC-GXHLCREISA-N	465.074	3.833	50	40	JHGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)NNC(=O)c1ccccc1	138982662	PBCGNUFRVDNAOS-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1OC	409156074	KIYYQQNYWQTHMT-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(Cl)c1	409266290	XONMCIRQDRTWFB-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)NNC(=O)c1ccc(Cl)cc1	12494291	BQXVNXMLPKPQLN-UHFFFAOYSA-N	455.883	3.598	50	40	JHGB	
O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(COc2cccc3cccnc23)cc1	15980787	PXIGGCVSNPYCHI-UHFFFAOYSA-N	464.481	3.730	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCC(=O)O	33738254	GJLONHJGQROFLG-ODCIPOBUSA-N	463.855	3.699	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1	38683219	KMRKJWMQCMZPMS-QHCPKHFHSA-N	456.454	3.919	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	408784354	RWNDVDUHWFCXMN-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408786424	JVHFWNBSJCMDER-OVVQPSECSA-N	494.617	3.805	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408967809	XKDHYGPLDPVIEW-SSDVNMTOSA-N	472.251	3.888	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409115515	JITKDYCKRGSAEF-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1C	409262112	FGNSEQPAKKRTNC-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC1(C)[C@@]2(C(=O)N3CCOCC3)CC[C@]1(C(Br)Br)[C@@H]2Br	2570456	MGCRERZVHHMPKR-FZZIBODNSA-N	474.031	3.531	50	40	JHGB	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	9186050	ZZMLXHKTULMEEN-CPNJWEJPSA-N	498.605	3.838	50	40	JHGB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCBr	9425752	VZHZBDUZCNFOKD-ATVHPVEESA-N	473.323	3.834	50	40	JHGB	
CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)cc(OCC)c1OCC	20286340	CMBNQJJLIVAKMG-KQWNVCNZSA-N	496.564	3.822	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCc2sccc2[C@H]1c1ccccc1	24765814	USLJWKGBIHESKE-JOCHJYFZSA-N	455.967	3.819	50	40	JHGB	
CC(=O)c1cc(CN(CCCl)CCCl)c(O)c(CN(CCCl)CCCl)c1O	104085360	NEWPDZXFLXIAII-UHFFFAOYSA-N	460.229	3.860	50	40	JHGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	229858657	WTPJFJSDCQNWJK-ROHNOIKCSA-N	490.475	3.767	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408774625	CIYPEYVDRHXQOE-WGOQTCKBSA-N	481.574	3.617	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCC(=O)OC	408904399	IXRFTNMBSNRPEG-MXAYSNPKSA-N	481.461	3.784	50	40	JHGB	
CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccncc1	408972436	TZMOJCNOUHJFRM-YVNGAQOLSA-N	451.354	3.837	50	40	JHGB	
C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2	409133491	LBJDHCGICOFOOY-OAQYLSRUSA-N	484.394	3.844	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	409157591	JMCPVFKEDVMIIF-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	949512	BPIXBFINZJMHSJ-AKBIMGJMSA-N	456.502	3.792	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1CSc1ccccc1	2323216	NUDRKOBUGUHRAF-JFLMPSFJSA-N	496.556	3.956	50	40	JHGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc(-c2ccccc2)nc2ccccc12	13058878	CMYJRGOXDQCRFU-UHFFFAOYSA-N	475.526	3.686	50	40	JHGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	23410920	XOVKJSWCGURAKZ-OVRHDEQLSA-N	464.390	3.585	50	40	JHGB	
O=C(N/N=C\c1ccc(I)cc1)C(O)(c1ccccc1)c1ccccc1	34796007	XUWGUEIWMZUYTE-HAHDFKILSA-N	456.283	3.677	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1	211017075	CBFLSKHTXVCQMD-JJIBRWJFSA-N	466.519	3.715	50	40	JHGB	
Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-]	408641222	CAJOGPGPPPTDPG-DNVCBOLYSA-N	462.861	3.819	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl	408905907	ATXCLKRSIRTURI-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	408937490	JNJYUXQYZDVYBU-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
Cc1c(Br)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1Br	409045715	HIKNAVCATUZECV-DNTJNYDQSA-N	454.118	3.942	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409214312	XKBAPUBWYVRKEK-FMCGGJTJSA-N	451.395	3.853	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1	2339625	FMRMVCQFBSOXCY-IZHYLOQSSA-N	464.525	3.787	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1	9379769	NEIMBNCHOQELHE-LEWJYISDSA-N	499.976	3.848	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O	16491051	DBWXAEVFHNUFKO-OEAKJJBVSA-N	494.411	3.628	50	40	JHGB	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1	18054466	XWYDMZRRVLKYIW-QGZVFWFLSA-N	474.492	3.916	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	58915124	VQTOHWLPEMYSRO-NTRYICDMSA-N	482.606	3.716	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccccc1	408655544	DHWTYGWEPWDJFO-YRXWBPOGSA-N	475.328	3.596	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408746940	IFUAYOADZBHIBW-MFOYZWKCSA-N	473.323	3.623	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)OC)cc1	408794613	JWDMMKSWROETSH-XNTDXEJSSA-N	459.296	3.945	50	40	JHGB	
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1C	408924277	MLFUUGJKDZEZSI-UFFVCSGVSA-N	453.280	3.580	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409164058	BYPGERUHVSXVMS-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1	409259975	INUCKRJFNXTGGQ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	8406138	NQCHGIQYURLIEH-OAQYLSRUSA-N	476.558	3.996	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9067203	RGNJDPOTBZWDPG-PKTZIBPZSA-N	480.484	3.657	50	40	JHGB	
O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(C(F)(F)F)cc1	9892504	RDIDTKNPHBURQB-UHFFFAOYSA-N	471.435	3.848	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	16478959	XLRTVUARRJZZTK-TURZUDJPSA-N	487.581	3.929	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408568383	JHLPEUMQXUCHBW-YDZHTSKRSA-N	460.577	3.636	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(O)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408968690	BGBIKLALYVXUFH-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C	408979617	NJTHVIKFFDWJSE-KTCKORJGSA-N	461.946	3.909	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1	409021267	ZRWBJSGXKLBJII-WGARJPEWSA-N	467.909	3.895	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)ccc1OCc1ccccc1	409309554	IYZBWEPIJXXZDY-WKIKZPBSSA-N	467.909	3.556	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cccc(I)c2)cc1Br	670242	XKMKZEGWDMZFNQ-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1	841874	NHFSHHSQRJEXGR-GOSISDBHSA-N	452.532	3.909	50	40	JHGB	
COc1ccc(C(O)(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c2ccc(OC)cc2)cc1	2301673	NWMNKIRFQLAJBY-UHFFFAOYSA-N	468.378	3.779	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567658	ODYYIGIZKFCSJD-NDEPHWFRSA-N	466.516	3.901	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1O	20059274	IOFVUQPUMNVCEY-PCLIKHOPSA-N	467.547	3.521	50	40	JHGB	
CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCC	20286338	JADKMVUZICTBHS-JWGURIENSA-N	466.538	3.814	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccncc3)n2-c2ccccc2)cc1OC	31885747	KNEGZAOLLRJSOB-YSMPRRRNSA-N	474.546	3.589	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	33305323	PVMPJFQBMBSPFK-MYKKPKGFSA-N	484.753	3.603	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC	33929328	NBRXOAQNZFXPCU-XTFCHBONSA-N	475.545	3.653	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	59443863	DEEXENNQYBGUPJ-UHFFFAOYSA-N	489.594	3.734	50	40	JHGB	
CCN(CC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95681977	OWLWTZZQXPYSSK-UHFFFAOYSA-N	462.378	3.723	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1	408779169	BDNKQXKANHMASX-WGOQTCKBSA-N	479.558	3.601	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	409114621	KOWUEXSBJKJFBN-MFKUBSTISA-N	496.545	3.642	50	40	JHGB	
C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409233377	VKNXYJKCSDRAFR-QRVIBDJDSA-N	480.277	3.534	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1	9444215	MIENIUZQUSNSGW-OEAKJJBVSA-N	456.549	3.661	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC	20240360	BVZZWYSVNZDYEV-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1cccc(Br)c1	31870523	KWCHBZBGLGGFQF-YSMPRRRNSA-N	450.336	3.848	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Cl)cc1	408614448	CKMBDTSEVBBQGS-JFLMPSFJSA-N	475.973	3.699	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OC	408814472	POJHMOGQMOJTND-CLFNKMITSA-N	454.308	3.910	50	40	JHGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C	409010665	DDRZKIYXYGKTEF-AIHMMONASA-N	483.568	3.572	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1C	409152047	ACTFCUUDXGETSI-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OC	409164008	BEAPDZAYCYPJNL-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
O=C(CCc1ccccc1)NNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12	13957651	LAIAUGFCRUMQIG-HHHXNRCGSA-N	466.541	3.883	50	40	JHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1	58880830	FMTHUHSECVZJLX-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(=O)OC	408570601	XBMWWZYKBCMJJH-ZMOGYAJESA-N	490.603	3.645	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccccc1Cl	408647955	VSNUMBCXGZHATD-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	408664042	IULCPYGIJHPVHE-QMHWCDLVSA-N	480.561	3.922	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408827516	KBYHWPWVEVJSAN-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1	409270516	QGZLWCLWKRJVNF-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1cccc(Br)c1	409303567	NLNIFNXBNNPWAQ-QGZVFWFLSA-N	456.365	3.837	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC	409317933	SSDSOUIQVAGAAW-QRVIBDJDSA-N	461.312	3.641	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O	2176086	HMXSLDNARDXUJL-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1	9381941	FWEVLMHPVTYCPK-LBPRGKRZSA-N	466.535	3.895	50	40	JHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1	17360102	XFSPFCUFLQMZCQ-UHFFFAOYSA-N	482.002	3.624	50	40	JHGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC	20086275	YCNUFGVDKRVMMG-SFHVURJKSA-N	482.334	3.926	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	58882113	ZOXMZNGGQXHCSU-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CC/C(C)=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC	59490152	TXAQOUXTGYGMMX-KGENOOAVSA-N	468.373	3.555	50	40	JHGB	
CN(C(=O)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1)C1CCCCC1	408682513	JKCAWMNWWDYXFJ-MUJBESKKSA-N	475.383	3.601	50	40	JHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408880433	JBVIEEVUTVWZFM-CNPYVQQSSA-N	460.770	3.950	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Cl)c1O	408970772	DUHKKRVKIGICCY-JMJNUIHMSA-N	475.973	3.813	50	40	JHGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12	408977615	XMNDTLMXAQVNGD-XODNFHPESA-N	471.471	3.772	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1	408980515	RPZOQEDBHWORFW-NWJFTTBMSA-N	481.574	3.572	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)nnc2-c2ccccc2)cc1	1294565	DXTLGTDHGWGLIA-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
N#CC(C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)=C1Nc2ccccc2N1	9712188	TXAAAKPLZRUQBE-OAHLLOKOSA-N	459.531	3.509	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1	12275878	RLHAWRZOCPFHPW-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Br)o2)c2ccccc21	13555126	ATZPDILDOKFTIR-SDXDJHTJSA-N	455.312	3.629	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	16479432	NZLACVXFHXQFLE-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@H]4C(C)=O)[C@@]34C=C[C@@]2(C1)[C@H]1C(=O)OC(=O)[C@@H]14	256440459	PSLJWFDKICJBAP-FPJHVDMPSA-N	452.547	3.932	50	40	JHGB	in-vitro
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408611959	SVANYOWPSPJCKI-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(F)cc1	408658872	JDBOEUSNNUEJEM-SEXKYXSUSA-N	493.318	3.735	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2Cl)cc1	408778384	SWJBODAXRSZHQU-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1	409259262	YHPFJWLUCPKJEB-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccco2)nnc1-c1ccc(OC)c(OC)c1	9379982	BRHXRCQSTWJQCI-IVWXAOQYSA-N	455.540	3.873	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C\c2c[nH]c3ccccc23)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	12859502	DWIBABBXSRBGGR-PWFXZTPASA-N	486.450	3.701	50	40	JHGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC	16136916	JGEKLQVGEAOLRG-VULFUBBASA-N	482.364	3.631	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	20061062	YITXVSHIIMSTEI-QZCBGFPPSA-N	495.601	3.969	50	40	JHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cncc(Br)c3)cc2)cc1	44950393	LWTYQSGTGCMWEA-BHGWPJFGSA-N	454.280	3.836	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC	58914161	HSLLJGYLQHUKEW-LQNQUEJISA-N	490.604	3.927	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100191679	NDHYYZKZNVPZCE-UUYOSTAYSA-N	481.377	3.976	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408675956	CTAXYHYRYJBFQO-AFUMVMLFSA-N	459.930	3.655	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	408838692	ZMVBSKPJIBLIIE-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408855623	FFMNNFTVXGHBNH-PDGQHHTCSA-N	476.920	3.720	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1OC	409028808	TVIXADFBZOIMHN-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C	409153754	MMJDMCVPKUMSLS-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCC(=O)OC	409187157	MWCDAYMTAXVCKP-WGARJPEWSA-N	466.490	3.884	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)ccc1OC	409316315	PTSILVJKMGWSFM-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cn(CC#N)c3ccccc23)ccc1I	1106421	NNXGARUPEIEOFE-SSDVNMTOSA-N	458.259	3.542	50	40	JHGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21	2300114	CKGMEZJPSNCBKA-DAFNUICNSA-N	485.382	3.772	50	40	JHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1	2411791	OWYOCJMXHPEVHQ-KNTRCKAVSA-N	454.461	3.892	50	40	JHGB	
CCn1c(NNC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)nc2ccccc2c1=O	10680088	SVKQPFHHAXCPPX-UHFFFAOYSA-N	481.512	3.591	50	40	JHGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)Cc3cn4ccsc4n3)cc2)ccc1Cl	36892748	SZKPNYXULVOHQS-UHFFFAOYSA-N	454.939	3.940	50	40	JHGB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(SC#N)c([N+](=O)[O-])c3)C2=O)c(C)c1	408537064	YYRIIYUGBGDOMB-OQLLNIDSSA-N	451.464	3.672	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OS(=O)(=O)c1ccccc1	408879533	GUSUVKMKPLRGKZ-ZVHZXABRSA-N	497.554	3.847	50	40	JHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)CNc1ccc(I)cc1	409044528	GVHXYAUXJOESLZ-UFFVCSGVSA-N	457.699	3.906	50	40	JHGB	
Cc1oc(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C	12738703	DRVXZSKYKOQMIW-UHFFFAOYSA-N	461.927	3.734	50	40	JHGB	
Cc1ccc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)c1	15985613	BZYJCCAEIYLMDX-UHFFFAOYSA-O	456.551	3.670	50	40	JHGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	20059569	IIYZHLJAPJSVAG-WSDLNYQXSA-N	452.319	3.932	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC	58882786	HIRZYGWEEKGQJD-DICXZTSXSA-N	465.481	3.553	50	40	JHGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408608092	OLOXZGBVPYAPON-YSURURNPSA-N	468.710	3.573	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408616393	YNPSLLJJPFCZNI-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(O)c(Br)c1	408971133	MUOLIQQTUXDVGK-SZMVHAFZSA-N	476.371	3.523	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1	887884	BVGCBOJZBVFQTK-UHFFFAOYSA-N	498.568	3.580	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c([N+](=O)[O-])c1	9355226	ZUJUGUHUOMMMBJ-UBKPWBPPSA-N	461.066	3.550	50	40	JHGB	
COc1cccc(-n2c(C)nnc2SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	9376253	JFGULGPZTRGCTR-UHFFFAOYSA-N	494.602	3.570	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)Nc1ccccc1	9845942	RRHMNEJQWMQNGV-AFUMVMLFSA-N	495.333	3.555	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OC)c(OC)c1	13882104	ZSYSADVJJDFVCA-CIRUFVMISA-N	480.594	3.724	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1O	14166435	SQCPIXDWVZNIRS-CVKSISIWSA-N	481.574	3.748	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	58915132	LUQLNWYRLLFVRO-NTRYICDMSA-N	482.606	3.716	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	71335734	WWGJCCYWTFAREQ-QGMBQPNBSA-N	459.081	3.832	50	40	JHGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(=O)COc1nc(C)c(Br)c(COC)c1C#N	408601832	LMJTZCVYCSMHIO-BKUHRTFNSA-N	489.370	3.877	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cccc(Br)c2)ccc1I	408747747	SJPCYPJSDWYSHH-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1	408754278	GCFHXSSWSKHUMB-MUFRIFMGSA-N	484.512	3.790	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1	408908705	YAIJZANYOKFJDZ-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)O	409242100	LVPKRVBSSNKHPZ-KHAFMBKQSA-N	459.296	3.705	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OCC	409320560	BVIZIZBTLIIGOG-UUYOSTAYSA-N	498.317	3.957	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	2077346	QWTHCJLEDVZWJN-AFUMVMLFSA-N	488.949	3.954	50	40	JHGB	
N#CC1=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	2115180	BUFMXRUFGFUNOW-OAQYLSRUSA-N	493.407	3.676	50	40	JHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cncc(Br)c3)cc2)cc1	2633916	RJSTWUOMMYLRFD-UHFFFAOYSA-N	470.323	3.897	50	40	JHGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccc(Cn2ccc([N+](=O)[O-])n2)c1	2742612	PYFFCJYBJSQKFD-ZMOGYAJESA-N	463.885	3.751	50	40	JHGB	
CC(C)CCOc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1	8883178	BXXHMXAEXPUFEL-UHFFFAOYSA-N	458.515	3.854	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	9357765	IHNFBRJNECERKK-ZVHZXABRSA-N	459.487	3.536	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	14165678	NDSZTKUKRSRGNK-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1	15133313	PAMYODKERIJJCJ-CVLQPESISA-N	480.864	3.581	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1C	19949291	ZZEAATYBXCJVOV-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19950168	OWFFJEAOTUMFBP-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1	20207781	CVBNGBSSGHWAPL-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247304	YHSKVECKCZNMKX-PODSUIKTSA-N	459.527	3.923	50	40	JHGB	
O=C1OC(=O)c2ccc(-c3ccc4c5c(ccc(C(=O)O)c35)C(=O)OC4=O)c3c(C(=O)O)ccc1c23	100483319	NKXCPBMOSPDLLY-UHFFFAOYSA-N	482.356	3.678	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Br)cc1	408609070	JHCNXWBHKUUCAN-MMTYYTLLSA-N	476.371	3.792	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)Nc1ccccc1Cl	408880902	KIYIPNOCNHPESI-BTSCWMHGSA-N	465.893	3.648	50	40	JHGB	
CCCOc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cccc1OC	408973142	ZFSHIXBVUBZLSF-BOOTZKDASA-N	469.582	3.852	50	40	JHGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1C(C)C	408988015	GPPUMHDRHOKRGM-OMHXNGIESA-N	477.565	3.838	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O)c(I)c3)cc2c1	409186293	ABCJMXHDWDADQU-JMIUGGIZSA-N	450.232	3.906	50	40	JHGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	778296	FYEQYAULRXLKCA-GHRIWEEISA-N	481.917	3.752	50	40	JHGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	8721608	BSQXHZRBQXCFSO-COLMCNOHSA-N	473.554	3.996	50	40	JHGB	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc12	12576684	MZWOMQOBJUIDPV-IBGZPJMESA-N	482.949	3.709	50	40	JHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1	20209894	AZPPXIFRCZICPC-UHFFFAOYSA-N	458.422	3.924	50	40	JHGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20213921	XJGSZZYVABFEDR-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(=O)(=O)c1ccccc1	408773942	UKSOQKZLWFMEEB-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)c1	408794091	HRSAKIAFGOTKHI-OVCLIPMQSA-N	476.270	3.917	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	409259040	XFJTUHLMSKIHRA-STBIYBPSSA-N	472.545	3.594	50	40	JHGB	
CCCC[C@H](Cl)[C@@H]1C(Cl)=C2C(=C[C@@H]1[C@H](O)C(=O)[C@H](O)CCC)[C@](C)(C(=O)O)C[C@@H]2C(=O)O	1772592068	YVFJLAAPXXXIMK-IWSDAEJMSA-N	491.408	3.736	50	40	JHGB	
C[C@H]1CCCC[C@@H]1n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1	9128469	HCVNJUWLPJSHBX-LPHOPBHVSA-N	450.568	3.645	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)C2CCCCC2)cc1	9246758	JFKGMJDZPGSDTE-KOEQRZSOSA-N	456.612	3.535	50	40	JHGB	
CCOc1cc(/C=C/C(=O)NNC(=O)COc2ccccc2OC)ccc1OCc1ccccc1	9613413	YPOKCYIGBVRPDT-JQIJEIRASA-N	476.529	3.913	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(N2CCCC2=O)cc1	9662064	LNRVZKVMTVQGOX-UHFFFAOYSA-N	450.322	3.740	50	40	JHGB	
O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccccn1	13575089	SNUOENINCADVDR-FXBPXSCXSA-N	477.938	3.839	50	40	JHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	15223120	IXPJDUOCIRTERN-UHFFFAOYSA-N	472.611	3.908	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1	20081361	ZUXPMPJPHIJOFZ-NZQKXSOJSA-N	475.549	3.754	50	40	JHGB	
COc1ccccc1NC(=O)c1nc(NNC(=O)COc2c(C)cccc2C)ncc1Cl	27987601	KGNKJIKICCMMRB-UHFFFAOYSA-N	455.902	3.530	50	40	JHGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	28336039	RFMDJIYKCXXDKL-SECBINFHSA-N	483.846	3.580	50	40	JHGB	
O=C(N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1	28632505	LRRLAMQBIUBUOH-NDENLUEZSA-N	460.231	3.754	50	40	JHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)[C@H]1COc2ccccc2O1	100056965	PNDDVDGPXBJINX-PCOHFRABSA-N	492.329	3.656	50	40	JHGB	
C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccc(OCc2ccccc2)cc1	408682866	KCCWAUAIHQNUIM-MSNVRCRJSA-N	499.357	3.951	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	408767803	OQEDNSHMLQZXMR-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409189454	GUEDVWNZAMUSKC-DHDCSXOGSA-N	465.344	3.755	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409225581	RFEABLBOQRPGAF-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
Cc1cc(S(=O)(=O)NN(C)C(=O)[C@H]2Cc3ccccc3[C@H]2C(Cl)Cl)cc(C)c1F	2576625	NVCMURRHBHLJAB-DLBZAZTESA-N	459.370	3.854	50	40	JHGB	
Cc1csc(Sc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cc2[N+](=O)[O-])n1	18053915	RBBMPIVIJQDOAD-LBPRGKRZSA-N	476.511	3.879	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558743	XUHACHKJTDQVLK-JOCHJYFZSA-N	472.526	3.617	50	40	JHGB	
O=C(N/N=C/c1cccc(Br)c1)c1nc2ccccc2c(=O)n1Cc1ccccc1	408875525	JSFPTTRCLGJIHN-AFUMVMLFSA-N	461.319	3.971	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)cc2)cc1	408906440	BMJFKHAMEJVJJX-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	409164706	MLYRJPUWRSRULB-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1	409167912	KFPBBUSIRFVWCX-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc4c(c3)OCO4)C(C)C)o2)cc1[N+](=O)[O-]	2057392	PMMVOOLOKHQDNM-JXHYGPBUSA-N	492.488	3.797	50	40	JHGB	
O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(Br)cc1	3417097	WEDCORQZJSSIHX-UHFFFAOYSA-N	467.319	3.663	50	40	JHGB	
Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1	3476476	RDEKUTWBJUCWFV-UHFFFAOYSA-N	495.582	3.896	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccnc3)n2-c2ccc(OC)cc2)cc1	8575165	DDFPQOQRVYSARC-WPWMEQJKSA-N	488.573	3.979	50	40	JHGB	
COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc(OC)c1OC	8780751	UJQDYKNDVUXQFS-AFUMVMLFSA-N	490.398	3.837	50	40	JHGB	
Cc1ccccc1OCc1nnc(SCC(=O)NNC(=O)c2cccs2)n1-c1ccccc1	9128547	VFVGCHOZYJRZFX-UHFFFAOYSA-N	479.587	3.770	50	40	JHGB	
N#CC(C#N)=Cc1ccc(-c2cnc(-c3sc(N4CCOCC4)nc3N3CCOCC3)s2)o1	16430420	BGRUJGPNYKFMCA-UHFFFAOYSA-N	480.575	3.630	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1OCC#N	33510886	IIJFZAGNVJDQLD-JJFYIABZSA-N	475.242	3.712	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	58915135	WSVCQYDPRQDMAG-RHKYMZEHSA-N	482.606	3.716	50	40	JHGB	
CC1(C)[C@]2(C(=O)N3CCOCC3)CC[C@]1(C(Br)Br)[C@@H]2Br	169802360	MGCRERZVHHMPKR-CUOATXAZSA-N	474.031	3.531	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc(Cl)c1	408764693	MYVLVANHYOCFDS-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)cc1	408805261	FOFPRQBKBAEPRU-OQKWZONESA-N	455.514	3.979	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1	408980516	RPZOQEDBHWORFW-OINMWHHXSA-N	481.574	3.572	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nc3ccccc3c2=O)cc1	1478398	QOJHQCWOGBVBBD-VULFUBBASA-N	462.506	3.776	50	40	JHGB	
CSc1cc(Cl)c(C)cc1S(=O)(=O)NC(=O)NNc1cccc(C(F)(F)F)n1	6244646	NYLGYYKWZALEPI-UHFFFAOYSA-N	454.883	3.799	50	40	JHGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)=C\c1ccccc1	9307296	LXXKHSYUCVBGML-RCKSAOSOSA-N	474.550	3.652	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O	9846722	MHXJUTHLFPRAHZ-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O	100065307	NQBZAUJUSXROSZ-KOEQRZSOSA-N	455.511	3.575	50	40	JHGB	
CCCCCn1c(=O)c(C(=O)N/N=C(\C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	100534805	PBLCXWPMMATYBE-RWPZCVJISA-N	474.517	3.598	50	40	JHGB	
O=C1C(NNC(=O)c2ccccc2Cl)=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2	101181440	OXZOJYMCBHLLLQ-OOAXWGSJSA-N	467.934	3.518	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)c1	409161739	ARXLAAARWGDKBQ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1	409256197	KIKBUZOGZBCFGV-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(Br)cc1	409366655	UCUMMGRMPLBLPF-SSDVNMTOSA-N	465.145	3.786	50	40	JHGB	
Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1I	910219	JSRSWCNFOJDVHJ-IFRROFPPSA-N	474.682	3.502	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)cc1	1247701	JYORUDGCSAIPDZ-IWIPYMOSSA-N	469.567	3.623	50	40	JHGB	
COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	2744256	ZLDKTWLFICLWDA-YPZZKDGISA-N	471.149	3.877	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1	9028431	DWKBZBUMTUAONE-BUVRLJJBSA-N	457.483	3.566	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1	9355234	LPESJZFJLDZXFJ-AFUMVMLFSA-N	463.446	3.660	50	40	JHGB	
COc1ccc2c(C)cc(SCC(=O)NNC(=O)c3ccc(Br)cc3)nc2c1	9716308	JBOOYOJRAIDOKZ-UHFFFAOYSA-N	460.353	3.868	50	40	JHGB	
O=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	12778214	IVNIVUCIZFUCLC-UHFFFAOYSA-N	484.386	3.859	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1OC(F)F	28878272	SBRIZFLOSQVOSI-UHFFFAOYSA-N	479.443	3.619	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1	58926045	XZKFMBXTWPGSGH-ZVHZXABRSA-N	457.939	3.776	50	40	JHGB	
N#CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1	59333393	KKRQDKNRWFPGMF-JXAWBTAJSA-N	451.324	3.607	50	40	JHGB	
O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59953101	NWKFSINNQHEQEX-FSJBWODESA-N	458.342	3.684	50	40	JHGB	
COC(=O)[C@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21	95761657	CWUVRMHOLORRBM-KRWDZBQOSA-N	451.260	3.502	50	40	JHGB	
CC(C)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	100550268	SVUJUPXKXPYYLF-KBCNZALWSA-N	499.199	3.782	50	40	JHGB	
COc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1Cl	226361008	MHTHYJRYKKKCDK-UHFFFAOYSA-N	467.090	3.789	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408903831	ABETWNYMAOHSBN-YVNNLAQVSA-N	490.266	3.809	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941748	QKTSLSPDJOCEFF-LGJNPRDNSA-N	499.976	3.718	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccccc2)cc1OC	409113138	IBQSPTJJVUANGM-PCLIKHOPSA-N	499.614	3.771	50	40	JHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(I)c1O	409213878	WBLQUPOFHDJVNT-CNHKJKLMSA-N	491.694	3.801	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	9096964	XUCRCRXWEYLQPB-UHFFFAOYSA-N	475.449	3.793	50	40	JHGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	9612876	BAYSPVBPWYXXBX-UHFFFAOYSA-N	469.361	3.548	50	40	JHGB	
CC1=C(C(=O)Nc2nccs2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1	12250129	YZUGRMVVDFPXAH-INIZCTEOSA-N	484.588	3.899	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OCC	20210963	SRVZHJORFNDUND-VULFUBBASA-N	499.511	3.585	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1	20240508	VYNOPIJMZBOPQR-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915664	MAAWQWPAPNPDRV-WSDLNYQXSA-N	493.383	3.577	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Cl)Cc2ccccc2)cc1C	107668978	VYNPBCCMSLQICY-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OC	408726360	LUGWRGGMRCPPTO-YZSQISJMSA-N	481.574	3.824	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)cc2C)cc1	408775198	OSCAEBOLSHFONY-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(C)=O	409223086	GMBVZWNDPUFRCS-WGARJPEWSA-N	491.456	3.820	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NC(N)=O	409236634	SLLPTIHJIKLHEA-XGICHPGQSA-N	479.674	3.692	50	40	JHGB	
C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)COc1ccc(Br)cc1C	8856221	XRGJLDTUXSTIIG-LPYMAVHISA-N	463.288	3.565	50	40	JHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C	9119652	SPNVVRCTCNPVDJ-LSHDLFTRSA-N	466.582	3.760	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1)NCc1ccco1	28214007	PGLCWMBTNYETDE-KBKYJPHKSA-N	476.316	3.811	50	40	JHGB	
O=C(Cc1cccs1)N/N=C\c1cc(Br)cc(I)c1O	71335784	XIFSOPMVMNBCHO-APSNUPSMSA-N	465.110	3.514	50	40	JHGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@]23CCCC[C@]12[C@H](Br)[C@H]3Br	104284173	WCVOZXOSMBWBIV-XNCJAFBWSA-N	493.199	3.554	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(I)c(O)c(OC)c1	106783335	XHVJEHUYDRRCJE-SSDVNMTOSA-N	476.270	3.931	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(Br)cc2)cc1	408779632	GSSYTDUKBFKJIK-UHFFFAOYSA-N	464.385	3.999	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)Cc2ccc(F)cc2)cc1	409059409	XDFKGPZHLHUSTP-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409063499	LVJYFEYUFKHDEL-JVWAILMASA-N	495.601	3.662	50	40	JHGB	
O=C(N/N=C/c1ccccc1O)c1nn(Cc2ccc(Br)cc2)cc1Br	1089120	GKFCMSRJVVXBJF-ZVBGSRNCSA-N	478.144	3.926	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN2CCCC[C@H]2c2cccnc2)cc1COc1ccccn1	8740357	ZTBBEGXMZQANQK-DRQPSCMVSA-N	459.550	3.742	50	40	JHGB	biogenic
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@H](O)c1ccccc1	9042659	KVFNVKMRDBRJJZ-XDMDVORWSA-N	478.346	3.592	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1	16217565	AUUCKKODXBUCFW-AFUMVMLFSA-N	489.513	3.545	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	16478956	OTDPUSKPCJEVFZ-WGOQTCKBSA-N	473.957	3.863	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	20232761	HYUPCPNYYJPYHS-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	28214238	ORBGHKZJEVBJCJ-KLNCEDDVSA-N	475.998	3.645	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1F	33794879	XCQLONWTASLFLV-MXAYSNPKSA-N	466.425	3.524	50	40	JHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	39383589	SESQHQWRKYGDAS-UFFVCSGVSA-N	473.239	3.817	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3Cl)c3ccccc32)cc1	46084826	HMJVBCBVFARQIF-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccc1	408753727	BYIVDVMLHZXGJJ-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	408765121	WNQVAFYKYIKYDH-OEAKJJBVSA-N	467.528	3.838	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	408870131	VGGZWHIAXUHSMQ-TWKHWXDSSA-N	467.573	3.671	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(OC)c(OC)c1	409027532	FEBRDIMCHPNUMG-XQNSMLJCSA-N	488.393	3.707	50	40	JHGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3cc(Cl)ccc3O)o2)cc1	632159	CBZNSLFITVIOCU-FSJBWODESA-N	460.943	3.855	50	40	JHGB	
C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1	2236249	UUOIKDIGKPZKIH-GBWQBGJGSA-N	465.469	3.897	50	40	JHGB	
COc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1	9849721	DJDQFGKBNRDJID-ZDUSSCGKSA-N	467.444	3.539	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1	12032296	HJEGQHYIFCVBDZ-VBKFSLOCSA-N	490.404	3.502	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	34807001	QVQIHDBQGMWTJU-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(Cl)ccc1Oc1ccccc1	103517303	SDKCIMBBLBHMQW-UOBPLZBXSA-N	497.960	3.824	50	40	JHGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21)OCC	105017505	APTADPRHPUHLHZ-GVSBUSRASA-N	461.518	3.900	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1ccc(Cl)c(Cl)c1	408611764	SDDJXEQGETVWIU-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408663723	ONDBRTALWVLFFV-YRXWBPOGSA-N	489.355	3.905	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408856366	GFULRJLWUGBFGW-DHRITJCHSA-N	464.349	3.914	50	40	JHGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	409185247	KMLWBFGUZOETSM-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1)NCc1ccccc1	409267303	URDBRGNZXCJIIY-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1	2628144	LQPUBQBWFJLVAY-UHFFFAOYSA-N	465.485	3.766	50	40	JHGB	
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	8825839	FYMTULMUMOIIHI-UHFFFAOYSA-N	481.512	3.893	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1	9233005	NLMGLSMAGFQASW-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1	12362298	QBQNEKHEZSPTGO-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
CCn1nc(C(=O)NNC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c2ccccc2c1=O	12976264	CMDYULWQXWRAIC-UHFFFAOYSA-N	467.938	3.577	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OC	15219831	ARTWRNXQQPAFBK-JYRVWZFOSA-N	464.259	3.950	50	40	JHGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	20214476	MLDMHZAZVLJKJD-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
CC(C)C(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl	27025562	HNFSMFVPPBVEAG-SFQCIDFKSA-N	457.745	3.693	50	40	JHGB	
Cc1nc(CSCC(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)no1	84281431	RUBUJAWZFNVOMH-UHFFFAOYSA-N	467.938	3.941	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Br)c1	408606110	ODULWWZALWQSTO-KRWDZBQOSA-N	476.400	3.711	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408745379	RDSPHUJVRZHJKE-NVNXTCNLSA-N	459.296	3.864	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1	408766815	HCESKZGYOASGSN-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	408783324	MSAVAHUWMBDFQM-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCC(=O)OC	408789388	PMERVFPTRRWIOG-OQLLNIDSSA-N	459.296	3.945	50	40	JHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408863855	QOERZKLECGKLJP-JAMLUQCHSA-N	471.966	3.805	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1	409020805	UBEMBDQDZJZAMD-ZMOGYAJESA-N	484.534	3.712	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	409027314	HCUMXWWWJRLGTK-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1	811463	QNIPFKANCXOCLW-SOQIOHJVSA-N	470.117	3.510	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc(OC)c1OC	9671274	VFFXVJWZNFVIKQ-UHFFFAOYSA-N	478.530	3.701	50	40	JHGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	17155417	BMAGGBLPPBPHHP-UVTDQMKNSA-N	459.443	3.900	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)cc1	20197329	BHDJTTARYIHLSO-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58881743	VVTLOZCAVXNPPZ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C[C@H](OC(=O)CCCCCCCCC(=O)O[C@H](C)C(=O)OCCCl)C(=O)OCCCl	104257426	MXPVYLPUJSHHSE-IYBDPMFKSA-N	471.374	3.535	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cccc(Cl)c2C)cc1	408770760	CCZHPFNGKDLYBO-UHFFFAOYSA-N	496.976	3.625	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1	408785130	YVICPTLMMHZTOH-LFVJCYFKSA-N	487.379	3.580	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	408898799	NAYZCWTUCSGQPO-YDZHTSKRSA-N	489.893	3.545	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)CCc2ccccc2)cc1OC	408952116	JXTDOYGCDHDAHV-FYJGNVAPSA-N	452.292	3.781	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029004	WUSDZWLSLMKSHX-FLVDCRJSSA-N	482.518	3.692	50	40	JHGB	
O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1cccc(O)c1	2210441	YYTWOKHBIXBPGT-ZVBGSRNCSA-N	466.744	3.844	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccncc2)cc1	2698411	PUMCXNPJHXDKLF-AFUMVMLFSA-N	473.518	3.788	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1)c1ccccc1	20232483	ZQIJRMQDZSTTGD-CVKSISIWSA-N	495.626	3.911	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1	30750446	QAKIIDUZWSJTHX-WGARJPEWSA-N	489.557	3.905	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408725190	DIXHQZNAWLORLU-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408865451	CLFLEGSIVPFPSO-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1OC	408872215	BFFAVPNZLYWMRM-IFJYNSJLSA-N	456.324	3.975	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(I)o1	408949521	BHTYNEJBZMTPQC-UBKPWBPPSA-N	483.487	3.829	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC	409323447	PBOJSJCJGAJGNA-WGARJPEWSA-N	464.474	3.754	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCC(=O)Nc1ccccc1	9934873	GCODOVYMFWOZQN-NTFVMDSBSA-N	454.486	3.781	50	40	JHGB	
COc1ccc(C(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1Br	12446972	QSCRNIQSCUHGJC-UHFFFAOYSA-N	467.117	3.615	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\c2coc3ccccc3c2=O)cc1	13471292	KHMUMVIYSDIBGK-WEVVEQELSA-N	467.481	3.723	50	40	JHGB	biogenic
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCOCC1)[C@H]2Br	169802357	MGCRERZVHHMPKR-HERUPUMHSA-N	474.031	3.531	50	40	JHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C(C)C)cc1	408943719	IDFUNKMUUCEQBS-DEOSSOPVSA-N	494.617	3.695	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)c1	409143606	GMAWVKMXCWGSIB-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1	409243271	RLDNWWQXBWVXCS-WYMPLXKRSA-N	451.552	3.530	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/NC(=O)CSc2nnc(C)s2)cc1	16158181	WTHDUFCEWLDXFO-UFFVCSGVSA-N	497.023	3.818	50	40	JHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br	20086283	FNUPNJWTSLZHCB-GOSISDBHSA-N	451.324	3.585	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c1	59472785	JYKMMTSOCFAZLE-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cccc(Cl)c2)cc1	59472794	XKRJXUCVIWWPBQ-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1cccc([N+](=O)[O-])c1	109031157	BSMIYEAFARFCDG-MLPAPPSSSA-N	450.188	3.727	50	40	JHGB	
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc(OC)c1OC	408603301	FNRWHCKJQCGFKT-HXUWFJFHSA-N	477.546	3.736	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(I)c2)cc1	408745827	PKFLQRGQEJKENH-UVTDQMKNSA-N	459.243	3.748	50	40	JHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C	408758633	OFQSOSSHSZSIBV-IYHCKTHZSA-N	496.427	3.609	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	408784967	XEWIYXPSAAZLRO-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408792621	BJRUXCJCQJHKLE-RIYZIHGNSA-N	474.267	3.845	50	40	JHGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccc(Cl)cc3)o2)cc1	408850689	CLKGUNWONQPAAF-PDGQHHTCSA-N	469.950	3.943	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1Br	408974438	ZWZYAWDQDUYNCQ-RREIPUBJSA-N	499.188	3.879	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	409000238	NBDQXWDOZNHQCJ-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1	409219513	NIKIHMQVDKHHON-CFRMEGHHSA-N	464.434	3.765	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(Br)cc1	409238517	ARGXOKLJOSUHBH-YVLHZVERSA-N	470.323	3.867	50	40	JHGB	
O=C(O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409248189	GQNBITQGAIRZIU-WNFQYIGGSA-N	488.107	3.507	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@H]2C1	8441920	MHNGKVQLUWEUOZ-REWPJTCUSA-N	453.502	3.730	50	40	JHGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1	59960129	VUHVZOJMWOVGEZ-JEWIKEISSA-N	478.936	3.685	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1	408609645	KUNZWJLJNTYEJD-YTLAKBNPSA-N	494.375	3.716	50	40	JHGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2Cl)n1	408735337	NIAOJRJYQPPGKI-LSHDLFTRSA-N	477.750	3.694	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1OCc1ccccc1	408972885	HIZMLGXQFBBDDO-GRIZMQLISA-N	457.530	3.740	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1	409024657	MKTBTLYGAPOCSH-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1	409026582	SPWIVPCGZZYWJO-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409154446	OLKPTHOIMCZXAM-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)ccc1OCc1ccccc1	409252896	VFXXMMIJFSOOAV-MUXKCCDJSA-N	481.936	3.946	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Br)cc1	1435063	GDDSQPQIEBNNEW-WYMPLXKRSA-N	454.280	3.836	50	40	JHGB	biogenic
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(Cl)ccc1Oc1ccccc1	8991065	SDKCIMBBLBHMQW-VJOZSWGJSA-N	497.960	3.824	50	40	JHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(F)cc1Br	9508635	IBEUJMICUHEVQS-CYBMUJFWSA-N	461.287	3.735	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567657	ODYYIGIZKFCSJD-MUUNZHRXSA-N	466.516	3.901	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	59401603	CSJFEPYFVBOOIV-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	108983524	GUKIZVAWNUWTBB-AFUMVMLFSA-N	462.462	3.905	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869373	CLACARAEFWHFQB-CBVHTYNASA-N	460.770	3.950	50	40	JHGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(Cl)ccc3OC)c2)cc1	409222595	CKXUUDBBCKXVEK-UHFFFAOYSA-N	453.882	3.684	50	40	JHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(OC)c(OC)c1	1439574	PNQTZDLELIZYIG-JYRVWZFOSA-N	492.269	3.641	50	40	JHGB	
Cc1c(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)oc2ccc(F)cc12	12765710	JGDRYLGCSKVNRD-UHFFFAOYSA-N	470.460	3.713	50	40	JHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)CO2	16184317	RYPPYCOPMQMUEP-TYVMICBZSA-N	478.299	3.651	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	30760623	PZKXTUDHWSMWPP-ROTLSHHCSA-N	452.850	3.817	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	58926102	UOKCHSWKZBBECZ-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccccc1F	408872380	MEPKXMNZWBJTBR-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
Cc1c(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2	409368543	BGRHAGCSVDJLCU-LDADJPATSA-N	456.502	3.847	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2c(OC)cc(OC)cc2OC)nnc1-c1ccc(C)cc1	1474298	GVQGQOYSBYBDQU-ZMOGYAJESA-N	469.567	3.542	50	40	JHGB	
O=C1c2ccccc2[C@@H](NNC(=O)C23CC4CC(CC(C4)C2)C3)N1Cc1ccc2c(c1)OCO2	13896137	CJQHQBOHNGQWTJ-SPRBNPHMSA-N	459.546	3.907	50	40	JHGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC	15223214	LTIABVRONGNOSN-JYRVWZFOSA-N	464.259	3.950	50	40	JHGB	
N#CC(/C(O)=N/c1ccccc1)=C1/S[C@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1	26786566	NSAGGUGHVNFKTJ-KGGGJSFDSA-N	450.501	3.510	50	40	JHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1	408753239	FTNQIQHHLJKDDB-LQKURTRISA-N	455.470	3.992	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC#N)cc3)cc2)CC1	408858255	NXIPRUHBSXEKNJ-TWKHWXDSSA-N	483.572	3.684	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(OC)cc1	408922800	GPNMRSBRDALCRY-LFVJCYFKSA-N	454.504	3.626	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)c1	409261546	DNSFHLTZZWBAQG-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccccc1F	663605	WHKDFRGGPMEDSQ-OAQYLSRUSA-N	476.533	3.998	50	40	JHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccco1	1098611	FPNRUYHSRZWJDU-LSHDLFTRSA-N	456.252	3.787	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1O	1435433	BEZJERGVWSOPQY-UFFVCSGVSA-N	468.291	3.541	50	40	JHGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O	2411100	NDQLXHRJSRSOLQ-SDNWHVSQSA-N	453.296	3.601	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1	3088930	IYBHTPSMTPQGSD-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1	9379768	NEIMBNCHOQELHE-RTWAWAEBSA-N	499.976	3.848	50	40	JHGB	
COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1OCCC(C)C	9463313	RDJCMPNKOGGFMX-NHFJDJAPSA-N	452.599	3.783	50	40	JHGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@@H](C)CCc3ccccc3)c2c1	9762910	SYXVWDYXRYOQQP-IBGZPJMESA-N	462.594	3.701	50	40	JHGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc(OC)c1OC	10007585	HVLYJQWLZRXYGN-MRXNPFEDSA-N	467.547	3.731	50	40	JHGB	
COc1cc(/C=C/C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc(Cl)c1OC	12521579	FKTWECGCJBOTRB-MDZDMXLPSA-N	467.909	3.804	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	19951602	OLUFRPAZGKRQLO-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)c(Cl)nc2c1	20212748	IZHIFMPAOCSTPG-BHGWPJFGSA-N	495.388	3.775	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247306	YHSKVECKCZNMKX-DXPRYJPLSA-N	459.527	3.923	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	59436983	JIIDTLPSCYOLIG-HPNDGRJYSA-N	499.564	3.969	50	40	JHGB	
O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)c(Cl)c1	408656985	TUZAXFXXZHUYEG-IMSYWVGJSA-N	498.986	3.560	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(Cl)cc2)cc1	408777374	YBXWJKDLLREMCP-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	409027169	BDUVZNMBDFZBBL-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1	1251199	GYOFTPJPUBLXJV-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
O=C(CBr)Nc1nnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])s1	2387832	LUQXYNOZQSKHSM-UHFFFAOYSA-N	488.223	3.858	50	40	JHGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc1	3274577	RUEXXQVPWVYOJC-UHFFFAOYSA-N	461.334	3.500	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	9411446	AUYCNFCFZULYQF-LGJNPRDNSA-N	492.944	3.980	50	40	JHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	9714429	UHXTUQZVTGPKSZ-SFHVURJKSA-N	460.534	3.699	50	40	JHGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1	14181582	VUUPDSBPLQJPHD-UHFFFAOYSA-N	471.970	3.707	50	40	JHGB	
CC(C)(C)OC(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	16489009	JPCXORGIOMQVQF-UHFFFAOYSA-N	465.506	3.958	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	19949083	JMJRFAGTSMZLGA-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc2)cc1	19955887	GQQOVFXTODMZHK-WPWMEQJKSA-N	489.553	3.900	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccc(O)c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	35404623	NYWXFELAPRTJAK-DICXZTSXSA-N	479.602	3.967	50	40	JHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408844455	CVSPHFIKVXRQKZ-GTWHHUIQSA-N	494.511	3.698	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(Cl)c1	408874198	ZHUFTVVMDIJUQB-WLRTZDKTSA-N	468.678	3.924	50	40	JHGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3)o2)c1	409155984	SHEFQPCIZATJSL-UBXTYJAUSA-N	477.517	3.546	50	40	JHGB	
CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409231281	JNVFNNJTPWHALC-AWQFTUOYSA-N	453.362	3.506	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OCC	409330782	BHDLTLCRTBGXFC-MSXFZWOLSA-N	464.902	3.763	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)c(OC)c1	2330602	MMQHRBIQDLCMAA-KRWDZBQOSA-N	452.492	3.831	50	40	JHGB	
O=C(CN(Cc1ccccc1)Cc1ccccc1)NNC(=O)c1ccc(Br)cc1	3286288	CFZYYXRLYMWPLG-UHFFFAOYSA-N	452.352	3.913	50	40	JHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)c1	12137270	YALCWUDAGJGPNW-UHFFFAOYSA-N	467.566	3.516	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(C)(=O)=O	20212119	TZFCLGRXOUKBJP-LFVJCYFKSA-N	466.003	3.975	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	33667269	NPELHGZWRDZLIS-BHGWPJFGSA-N	487.306	3.847	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58914266	WISOQSQVHAFRAS-WKIKZPBSSA-N	458.349	3.953	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1	58915259	KLEVNDPZBXUQJR-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	70039082	JIKYEJYEDPLNTN-RDTXWAMCSA-N	462.344	3.551	50	40	JHGB	
O=P(O)(O)c1ccccc1OCCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1	100740107	JKDYOJYYDXACOA-UHFFFAOYSA-N	494.420	3.587	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1O	100946140	CLMXFWMGWQYHJU-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
O=C(CCc1ccccc1)Nc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408688638	WKEOBGBIYFXUMF-ZKXGSZBFSA-N	483.362	3.767	50	40	JHGB	
Cc1ccc(COc2ccc(N3C(=O)NC(=O)/C(=C(/C#N)C(=O)Nc4ccc(F)cc4)C3=O)cc2)cc1	408872075	KBWFEOYYPZXYNG-GHVJWSGMSA-N	498.470	3.755	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCC(=O)O	408904713	NLJVFRMYLMAAOX-MSXFZWOLSA-N	467.434	3.696	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O	2423674	NNJIJKFUEZMWGK-DTQAZKPQSA-N	497.349	3.617	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	9261659	KMTQLRSYQFGJMW-NTUHNPAUSA-N	452.248	3.515	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1OC	9360424	AAGMNKSAMCXAQZ-HSZRJFAPSA-N	488.500	3.543	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19952009	ZAEYBPIWFJWJEQ-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NC1CC1	59087239	AVLBFBJEEZOMIZ-LFIBNONCSA-N	469.383	3.992	50	40	JHGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311841	VILNIASAAXMZIX-FUJZWAAGSA-N	480.839	3.564	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	408754535	REDYVKPWSYFVLW-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408774818	CZUWAZIVLGISPC-CVKSISIWSA-N	499.976	3.784	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1	408785840	IJEVPDXBXRXXSA-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(=O)O	408905635	ZZPUOEWFZPHFEV-NKVSQWTQSA-N	497.289	3.536	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Br	409028914	TUTLHFVQBZFZGB-FBCYGCLPSA-N	483.171	3.574	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc4c(c3)CCCC4)o2)cccc1[N+](=O)[O-]	409169709	RDMLOZBVABNMFO-CCVNUDIWSA-N	490.516	3.687	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3CC)c2)cc1	409175586	SNDHUZRQHREODW-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1)c1ccccc1	409220948	IFWKMNPEUSIDGQ-LWLPBDFMSA-N	476.270	3.539	50	40	JHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Br)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777904	VNDCSULMOTZMNT-LGWHJFRWSA-N	477.307	3.812	50	40	JHGB	
O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NNC(=O)c1cccs1	9633532	NADDAPFZEFXWNZ-UHFFFAOYSA-N	453.545	3.745	50	40	JHGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	12377025	BZWHNHQVKDGHJN-UHFFFAOYSA-N	487.317	3.783	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1	20059290	PTIIIFLAWFHXKF-JJIBRWJFSA-N	466.519	3.715	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	100959311	QUNRDYCPVGRBCD-XLKWYTADSA-N	496.972	3.698	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C(=O)O)o1	108244960	CNATUDOCNWRGRH-BHGWPJFGSA-N	479.401	3.984	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1)NCc1ccccc1	108939397	WOTGHGISJNXAOX-KBVAKVRCSA-N	492.535	3.646	50	40	JHGB	
COC(=O)COc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408843991	SYHKXAGZVPQCJP-KBKYJPHKSA-N	492.479	4.150	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	408925792	PXTVKAMBKMGDJT-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)cc1	705547	FOIKVGCMSXRDBA-YDZHTSKRSA-N	454.379	3.853	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cn1	1433864	GBRNERZCUZVIPI-WYMPLXKRSA-N	485.281	3.978	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1	1477799	CMHDZOQDOWWCBJ-JFLMPSFJSA-N	486.553	3.723	50	40	JHGB	
CC1=C(C(=O)Oc2ccccc2)[C@H](c2ccccc2I)C(C#N)=C(N)O1	2300373	RODZJDIXLFVJID-GOSISDBHSA-N	458.255	3.978	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NNC(=O)c1ccccc1	9283658	WVCQHSIROSDNAO-UHFFFAOYSA-N	461.522	3.686	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)O	59333333	FQVARHLNFGPHDJ-JWGURIENSA-N	475.545	3.533	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OC	59484547	NAQUAJCMVQPGIG-CXUHLZMHSA-N	462.287	3.922	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1	408785476	GGZANXASVZBKCP-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409029200	ZJYNOWKJXAXIFJ-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccc(C)cc2)cc1	1243410	GFGCRZVXYBGREG-CVKSISIWSA-N	458.547	3.889	50	40	JHGB	
CCn1nccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)C(F)(F)F)nn2-c1ccccc1	2790200	JGQKGWCNZUJUNM-CQSZACIVSA-N	450.371	3.961	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6146867	RTJPIUOSDAJENW-RGVLZGJSSA-N	464.912	3.874	50	40	JHGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NNC(=O)c1cccs1	12752775	HXCLHESDKOEHFO-UHFFFAOYSA-N	496.639	3.941	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20209710	ZUPUFUUVFABBDJ-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
COc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCC[C@@H]1C	30551205	SWXRKEMQXLKTEL-HNNXBMFYSA-N	451.976	3.977	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1	33664051	BLVGIZDXRIVRTL-FMCGGJTJSA-N	464.507	3.875	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	59435846	YQLYEJZQQNHYGG-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	59960309	WBPGJOIYGLREFF-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(Cl)c2)cc1	408783335	NNGZVFQIIHQCBU-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408854134	YGMZMGOGSNHXSV-KSEXSDGBSA-N	460.250	3.590	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(OCC)c1O	408973307	YGHUDOZWUMNHGT-WJRZFDRGSA-N	481.593	3.888	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409023725	DGVCXWTXDWKLEW-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	409125640	AFTJZBOTIXXSDI-ZXVVBBHZSA-N	463.603	3.941	50	40	JHGB	
C#CCOc1c(I)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	409141503	IESDKYGTURCXIU-GOSISDBHSA-N	490.297	3.517	50	40	JHGB	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	2410853	KQVSGRCLFMIYTF-CURYZJDOSA-N	458.518	3.560	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C	9988598	RWLKUWQCRGVBJN-CXUHLZMHSA-N	494.426	3.767	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1	11990295	SCVLYPDSFQLPLA-XDJHFCHBSA-N	450.491	3.678	50	40	JHGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	12250315	UIHZVHVMKQXOMK-VXKWHMMOSA-N	479.558	3.503	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)c2ccccc2)cc1	16309420	QIZXWJRVUWCQPE-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816798	RRYLEFXEZLJFRS-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(I)cc1	59334230	MMMAUUSTDDULFJ-YBEGLDIGSA-N	462.287	3.874	50	40	JHGB	
O=C(NN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)c(Cl)c1	408656983	TUZAXFXXZHUYEG-FIRGSJFUSA-N	498.986	3.560	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cc(C)ccc2C)cc1	408774982	ZJXZOKICMQOMAA-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	408827835	HDYDDZBXHPGKEU-YZSQISJMSA-N	467.522	3.736	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2C)c1	408860459	WBSUMAHPUYWUBU-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409065503	SVNLVMVMRHLZMA-QFEZKATASA-N	462.462	3.693	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl	409121803	WONNFHREIQNEJW-ZVHZXABRSA-N	458.971	3.907	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(Br)cc3)sc2=O)c1	2226172	RZKXRQOWZVQPCC-LSFURLLWSA-N	494.754	3.836	50	40	JHGB	
COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccc(Br)cc3)c2c1	6193880	ZAUARMFLDMFUJR-UHFFFAOYSA-N	490.379	3.633	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(Oc1ccccc1)Oc1ccccc1	8456290	XHXSHWXZVNIVIC-YDZHTSKRSA-N	486.278	3.997	50	40	JHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1	8667012	ICLMNXASFXXTEO-UVHMKAGCSA-N	465.575	3.975	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118489	JNCUKEHUPWRIGO-FSJBWODESA-N	489.313	3.881	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(O)c(OCC)c4)CC(=O)N32)cc1	12275241	QWWLVYUSIMTMDQ-KOSHJBKYSA-N	452.532	3.833	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	16491047	HDLKKFPCVALRRJ-OEAKJJBVSA-N	478.958	3.722	50	40	JHGB	
CN(C)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21	20149757	LOOMREUSUWFFML-JWGURIENSA-N	470.154	3.756	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58881373	ZGXJDWUATBBEOG-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(NNC(=S)NCCCc1ccccc1)c1cc(Br)cc(Br)c1O	408586603	PEVYMQAEISVFKU-UHFFFAOYSA-N	487.217	3.659	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1O	9667610	SKTCQFSTYASOFE-DJKKODMXSA-N	489.107	3.922	50	40	JHGB	
Cc1ccc([C@]2(C(F)(F)F)NC(=O)N3N=C(N4CCOCC4)N(c4ccccc4)C3=C2C#N)cc1	12584309	UXGMCTCCTYNXGJ-QHCPKHFHSA-N	482.466	3.636	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1OC	19948185	MBJOHXKTFSQJPT-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	20060182	HNJXYBNZMVAKSL-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
Cc1csc(C2=C(N)NC(SCC(=O)NC(=O)NC3CCCC3)=C(C#N)C23CCCCC3)n1	21722158	CXLNHZRJVVPRDX-UHFFFAOYSA-N	486.667	3.869	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100545049	NDHYYZKZNVPZCE-WSDLNYQXSA-N	481.377	3.976	50	40	JHGB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3cc(OC)cc(OC)c3)C2=O)cc1	113467102	FIQNPVQBJZOASQ-ULJHMMPZSA-N	486.528	3.672	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2)cc1	408922729	RLXJEJFLYFPOES-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408974054	WMRQOZONZOLAFN-FSJBWODESA-N	458.342	3.684	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)c1	409252953	AGAFNJPZZLFNOU-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	9317517	WNAIALTXYRSFGL-UHFFFAOYSA-N	472.973	3.899	50	40	JHGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C[C@H](C)O1	9381836	VBAJRXFNTAUYOG-STQMWFEESA-N	480.999	3.505	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	9980985	MHTRGMKPBKJNNU-NHCUHLMSSA-N	497.960	3.652	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	20213380	ZOXQUBNARSAGJU-BRJLIKDPSA-N	489.903	3.840	50	40	JHGB	
O=C(CSc1ncccc1C(=O)Oc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2	102263870	KRYYWOFJQXNEKL-UHFFFAOYSA-N	453.432	3.669	50	40	JHGB	
COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NNC(=O)c5ccccc5)(C4)C2)C3)c(F)c1	105620414	DOQIBMLRVHTLQI-HVRNZWLGSA-N	480.536	3.677	50	40	JHGB	
COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	408655413	RTMDLQVECXUEGG-MGPUTAFESA-N	463.889	3.619	50	40	JHGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1	408666478	ZPZRPSDAURYKFP-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1	408724965	CKTAWCWDEVOQKN-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409157255	VCDHPZXEMDISIQ-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)cc1OCC	409219887	RHOQEHSUVBSWHJ-OYKKKHCWSA-N	467.434	3.968	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C	409245863	AAGIJMUPNAEVEN-FOKLQQMPSA-N	468.539	3.660	50	40	JHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(I)cc2)o1	1425106	HWFLTHILLWPPRM-SRZZPIQSSA-N	491.241	3.989	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	1825979	AVGNURPWTHMKEH-CVKSISIWSA-N	490.361	3.978	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)n1	3889805	GLVBARXBEDFALK-WYMPLXKRSA-N	450.520	3.613	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1F	58853955	FTRUOERVXRMPRA-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC	58912114	YYKWMZLUHGMDTH-RWPZCVJISA-N	482.968	3.574	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H]1Sc1c(sc(=O)n1-c1ccccc1)[C@H]2c1ccccc1O	100872045	ARUMZEVBQXCFRH-RKPHXGNDSA-N	477.563	3.793	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1OC	108975615	SDMSOUSRBAODTI-QQXSKIMKSA-N	498.557	3.943	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccccc1Cl	408646444	PFDMVLFWLJALQB-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408841982	MYRUEGDXVBMDDP-LGUFXXKBSA-N	479.558	3.502	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccccc1OC	409015168	YUURVRRLTJWSIB-PKAZHMFMSA-N	461.518	3.804	50	40	JHGB	
CCOC(=O)c1ccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccc(C)cc3)n2)cc1	1587001	JUOLYJBDEMWSAY-UHFFFAOYSA-N	484.520	3.996	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	8426834	PSBLKSBSQCMYJM-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC	58914165	XKDRBNJLZOWZMM-LQNQUEJISA-N	490.604	3.927	50	40	JHGB	
Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1	100484745	YDQJTBUVXUQXGF-BXVZCJGGSA-N	478.508	3.973	50	40	JHGB	
Cc1cc(C)n2nc(C(=O)NN=Cc3ccccc3OCc3ccc(Br)cc3)nc2n1	254383768	KYFGFYGBNPUNJB-UHFFFAOYSA-N	479.338	3.847	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(O)c1	408747987	WPGDBMCACBGVDY-CIAFOILYSA-N	467.307	3.616	50	40	JHGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	408790854	RODNANQWTCJYTJ-SSDVNMTOSA-N	452.319	3.829	50	40	JHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])cc1	409220425	ZCWNGSANMXBIOV-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1	409226648	VOYNRNHQYYMKQO-AWNIVKPZSA-N	493.155	3.930	50	40	JHGB	
C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)Cc1ccc(Br)cc1	9442671	ZXKUKMLUZQIYBA-MRXNPFEDSA-N	481.346	3.838	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	16479446	JTHTVALAJIQGGE-BUVRLJJBSA-N	486.391	3.790	50	40	JHGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1[N+](=O)[O-]	16790700	GLKIZJAJAMWCMX-RGEXLXHISA-N	475.505	3.906	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCC(=O)O	20195271	QZHWXCQEEAMAIW-FOKLQQMPSA-N	463.328	3.621	50	40	JHGB	
COc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408690109	ZRPSYQDYWZJOAO-BQLFOJHWSA-N	458.308	3.997	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1O	408749098	LHPHJBSLPZXHIM-CIAFOILYSA-N	461.259	3.560	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1C	409155617	LXMYIGDHANVRFI-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1	409263949	IUNONRXGYUVOHY-PDCPGAHVSA-N	491.519	3.925	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409266877	LNBWSWJZIXEFHA-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)ccc1OC	409324430	SUWSGXMPJHMZJA-XYGWBWBKSA-N	484.530	3.634	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	8384506	UIHKAPFPUCIIDR-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9110643	MYHALGTZUSGROS-SFHVURJKSA-N	495.557	3.591	50	40	JHGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O	19952853	HTQDIZWMYSDIEZ-VULFUBBASA-N	477.464	3.757	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	20100818	BQCJAZWWKMQMKS-CVKSISIWSA-N	493.472	3.750	50	40	JHGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc(C(C)(C)C)c1O	408753186	FASAKQYUPDQWQO-RWPZCVJISA-N	453.583	3.934	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	408859017	VCJSDZNNVKSTJI-AQTBWJFISA-N	472.501	3.706	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1I	409220902	HNHIQYCYIQLBCB-AYCSXLNKSA-N	490.297	3.627	50	40	JHGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1	14244794	OXJPKSMCGMPDEV-KRWDZBQOSA-N	469.563	3.966	50	40	JHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	14922473	ZRFYKTODMJTUEJ-MFKUBSTISA-N	462.462	3.661	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214055	VQSAFVHOQIXZGQ-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	58853269	BZHUYQWUDCZYCK-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408690114	ZRPSYQDYWZJOAO-YZEAIEHJSA-N	458.308	3.997	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OC	408762331	KCOFPZJHHHUQLG-SRZZPIQSSA-N	468.291	3.779	50	40	JHGB	
CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	1009079	FCKPOSPPBLSOSB-BFTVFPACSA-N	450.333	3.816	50	40	JHGB	
O=C(N/N=C/c1cccc(O)c1)c1nn(Cc2ccc(Br)cc2)cc1Br	1092028	KDYKZNYRKSVWHR-ZVBGSRNCSA-N	478.144	3.926	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl	2201229	GRLLJAGISFXCBR-LJQANCHMSA-N	453.951	3.955	50	40	JHGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	9203123	MAVOYZKIMUJVCU-UHFFFAOYSA-N	481.427	3.720	50	40	JHGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C[C@H](C)O1	9381782	FGMWUZYGCGMLIB-STQMWFEESA-N	480.999	3.505	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1	20198045	OZLSXRUJKWSHMK-ZMOGYAJESA-N	493.354	3.952	50	40	JHGB	
CCCn1nc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)OC)cc3)cc2)c2ccccc2c1=O	20858885	GEANUBRWGIGFBY-STBIYBPSSA-N	498.539	3.936	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Br)c1	58911748	ZDCIIIDAEQDNJX-AFUMVMLFSA-N	453.340	3.623	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1	107762338	RWXMEXVGVAYGMR-QCDXTXTGSA-N	479.670	3.810	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c(C(=O)OCC)c1C	408547119	RIGMUAWAFFXQIV-FOWTUZBSSA-N	486.546	3.558	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408614961	KELXITLUGXJKOC-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)NCc1ccccc1	408754514	KPFUWFIZYDZGQJ-XDHOZWIPSA-N	463.471	3.586	50	40	JHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408812175	CGWFUTKRMZQGPL-JMIUGGIZSA-N	481.397	3.731	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	408881659	JVXRRJCGHQOAFZ-WPWMEQJKSA-N	495.601	3.889	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)O	408951087	KYMUYABCBVZSBD-PXNMLYILSA-N	453.882	3.559	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc1	409062161	ORBAFLUHMZSAKP-QDTIIGTASA-N	469.423	3.594	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2cccc(C)c2)cc1	409066521	VUXFRGGNAKNYRF-MFKUBSTISA-N	480.546	3.553	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	409174177	LUSUXCUVTXIDKP-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409199603	IAUUFQGHXZMOTG-WVWKGNOCSA-N	463.538	3.805	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1	409313798	QWNDQPLQUFZFLB-RBUKOAKNSA-N	470.934	3.798	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Cl)cc1Cl	1920550	ALNHGPRERPBGPV-ZVBGSRNCSA-N	479.305	3.698	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@@H]2C1	8816921	MHNGKVQLUWEUOZ-OFNKIYASSA-N	453.502	3.730	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1O	10060096	GTEIZUGGYHOBOX-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19947992	JYYCOFMFJCVFBD-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(O)c(O)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	20558500	IXABWKGQABKHRI-QFIPXVFZSA-N	491.500	3.763	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(O)cc1	23410593	YKGAAXHFWOMGDN-OEAKJJBVSA-N	494.411	3.628	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1[N+](=O)[O-]	30902184	CZVQSVWTXHVCEH-ZASXCATISA-N	467.309	3.815	50	40	JHGB	
CC(=O)N(c1ccccc1)c1nc(/C=N/NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cs1	40161328	CJFIDQWAJPNAJX-DHRITJCHSA-N	474.546	3.882	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1	58926084	NHUBXBAQACBQGO-CVKSISIWSA-N	499.976	3.995	50	40	JHGB	
Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	138765087	GLZNDYUIOKAAIH-UHFFFAOYSA-N	489.528	3.819	50	40	JHGB	
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1ccccc1O	170621201	TZTCJMPXWLQKTC-UEPBBEBISA-N	491.590	3.852	50	40	JHGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409025497	VWBOJSTWQLWLJL-UHFFFAOYSA-N	489.594	3.734	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C	409268324	SFCYJJXAVZXORH-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OCC	409362273	ITHRDEYGEISUNG-QRVIBDJDSA-N	465.344	3.957	50	40	JHGB	
C=CCc1cccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])c1O	1091998	UFEXSPSVBRINTK-FOKLQQMPSA-N	484.310	3.800	50	40	JHGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl	8951664	IQYUMYKDTONWKB-GHIWRQRASA-N	467.978	3.934	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	9057670	IRWDQCYAIBPWFP-ZMOGYAJESA-N	465.466	3.607	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1)S(=O)(=O)c1ccccc1	19937037	SXCMIUNXXZOHNI-NLRVBDNBSA-N	479.558	3.849	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20208164	YUDSOUCSMPKXPF-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	35363387	HETWEGWJMBMLBJ-NVNXTCNLSA-N	455.264	3.714	50	40	JHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	59463309	FUTLTNWSBTUOMA-NUGSKGIGSA-N	487.266	3.908	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OC	408678389	YCFYHCURXWQNDZ-LPYMAVHISA-N	479.318	3.673	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1	409262643	ILTODNACZGWHTK-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(COC(=O)c1sc2ccccc2c1Cl)NNC(=O)COc1ccc(Cl)cc1	9254574	AXVLAMYFYLODKU-UHFFFAOYSA-N	453.303	3.591	50	40	JHGB	
O=C(CCn1c(S)nnc1-c1cccs1)NNC(=O)COc1ccccc1-c1ccccc1	12933988	FOJSISZWVHDQDT-UHFFFAOYSA-N	479.587	3.579	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	19948828	JMMHJUTUSCWMFM-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cc(I)c2O)cc1	408806511	BAXVZFFWEOITHH-MLPAPPSSSA-N	468.678	3.882	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	408888618	XXFKZYZVNQUTGB-XDJHFCHBSA-N	461.499	3.958	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409062643	YHAPZGYVWKTDCC-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C	409154749	OHZVWRRWMOMDHR-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	409169991	SDOVVJXAGCUYEF-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1C	1837875	CDIDQVAWDIIBHP-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@@H]1c1ccncc1	8451183	KNSJSVIQAPTULW-NRFANRHFSA-N	473.558	3.644	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNCSc1nc2ccccc2[nH]1	8819283	CXBXSWUNDKFVRF-LFIBNONCSA-N	489.673	3.976	50	40	JHGB	
O=C(CCCNC(=O)NC1CCCCC1)NNC(=O)CCCOc1ccc(Cl)cc1Cl	14167967	BNIQZHDKBLUCDN-UHFFFAOYSA-N	473.401	3.712	50	40	JHGB	
C=CCN(N=O)C(=O)N(CCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1	17212681	CYIYUUGKMBIITI-XMMPIXPASA-N	479.581	3.769	50	40	JHGB	
COc1ccc(/C=C/C(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	22789637	DUSSWFUOLKRIAR-SAPNQHFASA-N	498.627	3.653	50	40	JHGB	
Cc1cc2occ(CC(=O)NNC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c2cc1C	26907588	CNCKUVUZFMJIII-UHFFFAOYSA-N	466.515	3.620	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	34767522	GNJKVAWEDDUPEU-ZMOGYAJESA-N	496.948	3.861	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1	408785391	WXJVXLNOWXKKNW-WPWMEQJKSA-N	495.601	3.920	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OC	408871571	HJCYDDLYAGTUMC-IFJYNSJLSA-N	456.324	3.975	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409175158	QVKHSGOGLPHMRG-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCC	409244780	IPVAXRFYDAUZNO-UUYOSTAYSA-N	470.282	3.921	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c1	409257946	VBEGMLXGAGNSGO-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)ccc1OC	409324086	RBTUPKDNQSJEID-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)ccc1O	20059227	RMWHVAFICWYSEV-CVKSISIWSA-N	481.574	3.748	50	40	JHGB	
N#CCC(=O)N/N=C(\CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841712	USIXATNMRSJMNY-FSLDEXMDSA-N	472.545	3.892	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	33446303	XPIVYOXAGNISMO-KGENOOAVSA-N	471.513	3.945	50	40	JHGB	
CC(=O)OCC(=O)[C@@]1(OO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C	70698181	OUZLVNAZQRKHBA-YIEQOVFOSA-N	492.540	3.535	50	40	JHGB	biogenic
Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@H](CCCl)C(=O)c4ccc(F)cc4)cc3C2=O)s1	139043363	HZPIRKUHRKSRJG-QGZVFWFLSA-N	487.896	3.823	50	40	JHGB	
Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccccc1I	408590486	PCIKIOCUZZITBB-VMHRPQTGSA-N	473.314	3.882	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O	408640697	BNDCOQFHQJJWTN-KRWDZBQOSA-N	478.288	3.635	50	40	JHGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1	408725705	GUDQRXYCRXMAEY-ITYLOYPMSA-N	463.559	3.982	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408769702	ZRCLPVGNTJNWLJ-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	408861687	UUJNQEJYJONRAV-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	408921890	KQMRFRLITXFIRC-HAVVHWLPSA-N	488.393	3.707	50	40	JHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408972644	QFQBGLCPMLRZRM-FSJBWODESA-N	458.342	3.684	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC(=O)OCC)c(OC)c1)c1ccccc1	408996953	CCPDEFLYSNCAFX-WORIPGKHSA-N	457.483	3.558	50	40	JHGB	
COc1ccc(CCC(=O)NNC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1	1684971348	BXZGXONXTJLRFN-UHFFFAOYSA-N	457.534	3.556	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1	1055729	BLFSINIXTAHYFL-PFRKPPGBSA-N	483.318	3.861	50	40	JHGB	
COc1ccc(OC)c([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	1247125	KIJSQHNXKYTOLM-NOZRDPDXSA-N	451.530	3.629	50	40	JHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nc2ccccc2c1=O	1278786	RHSDDPVYUAMBML-VULFUBBASA-N	472.526	3.635	50	40	JHGB	
CN(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Br)cc1	16186738	QCNXLPHKIBZNOI-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	19956030	XPXFCNBZMBOYHI-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
COc1ccc(OC)c([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	26743792	DVWYJSIXLWHGSU-NOZRDPDXSA-N	495.539	3.766	50	40	JHGB	
CCN1c2ccccc2C2=C([C@@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O	57510582	VJDALYGBMNLMEM-KRWDZBQOSA-N	458.337	3.795	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	59472888	PQADHGMIAPFOEU-VULFUBBASA-N	499.589	3.666	50	40	JHGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1c[nH]c2ccccc12)C(=O)N/N=C/c1c[nH]c2ccccc12	95605091	VOZVLRIHFOWAOG-XUQNZXSMSA-N	460.563	3.760	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1	408923117	FLQMNEBZGUVQHV-ZFOBRQHDSA-N	465.575	3.879	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1	408980300	QJUMXDQEQCOGEC-UEIZDATPSA-N	461.360	3.843	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	409025337	UDOXUVZWFCMCTO-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	409120139	YEOMUJDIUKQNQX-WPWMEQJKSA-N	492.601	3.549	50	40	JHGB	
CC(C)N1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21	2348232	ZZSASJCWWPOHRG-NKFKGCMQSA-N	450.720	3.757	50	40	JHGB	
COc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c3ccccc3n2)cc1OC	2620941	PMPGJBCSUYTKSG-UHFFFAOYSA-N	485.496	3.537	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1O	19949023	WCWWIAWELUSPOU-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19949353	DMSXPVFJBPJIBM-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(I)c1OCC	408534196	VHKBTFJETYHZQJ-FSJBWODESA-N	481.334	3.959	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	408760299	WHDIMPLTHNICEM-SRZZPIQSSA-N	468.291	3.779	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409028201	IVDOFOQHNFUSKU-SSDVNMTOSA-N	458.367	3.697	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409062359	SMLIKJKDYDHYIL-JVWAILMASA-N	483.565	3.874	50	40	JHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1	409172349	CTEOURJCHLFXDL-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1	409313802	QWNDQPLQUFZFLB-RTBURBONSA-N	470.934	3.798	50	40	JHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(O)c(I)c2)c1	1433429	KDKQFSLPVUAVFD-UFFVCSGVSA-N	452.292	3.958	50	40	JHGB	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NNC(=O)c1ccccc1	3308761	KJFKSCHVKOVJRY-VAWYXSNFSA-N	487.343	3.564	50	40	JHGB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	8927553	IXQRYBCQWCIIPA-MJGOQNOKSA-N	477.344	3.565	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3O)nc3ccccc3c2=O)cc1	9411506	RYINVIUMFGFONS-JVWAILMASA-N	474.542	3.732	50	40	JHGB	
COc1ccccc1CNC(=O)COC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2	25425207	JQTNLQQEJLCITN-AIRYCRCHSA-N	450.373	3.835	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-]	28215583	AXWFDGFPRFNOAR-CMPFEXHJSA-N	460.490	3.923	50	40	JHGB	
CCN1c2ccccc2C2=C([C@H](c3ccccc3Br)C(C#N)=C(N)O2)S1(=O)=O	57510576	VJDALYGBMNLMEM-QGZVFWFLSA-N	458.337	3.795	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)ccc1I	408746453	DLWVAYBFHACNCC-SRZZPIQSSA-N	468.291	3.860	50	40	JHGB	
Cc1ccsc1/C=N/NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O	408922653	QCFKUDGAEJYHKP-ODCIPOBUSA-N	453.895	3.645	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)OC)cc2c1	409185038	QHKLXEDEZUKPKD-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	409260015	JFPXCKLRWCTFSE-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccccc1	880966	IEPKLMUEXSTZJD-VULFUBBASA-N	477.473	3.969	50	40	JHGB	
COc1ccccc1C(O)(C(=O)NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC	1757485	OJWCKHAIALSPTL-UHFFFAOYSA-N	468.378	3.779	50	40	JHGB	
CCCS(=O)(=O)/C(=C(\C(=O)c1ccc(C)cc1C)[n+]1ccccc1)[C@@H](Cl)S(=O)(=O)CCC	3668230	GDBXBZDPCHBHQK-KLIPWGEBSA-N	499.074	3.857	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)c1	9311695	LWLGWYJQLBWCBX-VGOFMYFVSA-N	475.295	3.865	50	40	JHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(F)cc1Br	9508633	IBEUJMICUHEVQS-ZDUSSCGKSA-N	461.287	3.735	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1cccc(Br)c1	12427802	JIVKXYXEWVSZAV-ZVBGSRNCSA-N	480.775	3.846	50	40	JHGB	
O=C(N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	15133999	BNYFVGDRMYXIFW-NSRYLYFRSA-N	450.336	3.941	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1)NCc1ccccc1	28215156	VJXNDCTZJQAFFP-JFLMPSFJSA-N	451.910	3.564	50	40	JHGB	
C[C@@]1(C(=O)OC(=O)[C@@]2(C)CC2(Br)Br)CC1(Br)Br	97949549	JAUDUUFMCWXOBP-OCAPTIKFSA-N	497.803	3.848	50	40	JHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccccc1I	408552421	TZRJIBRZACENRO-NVMNQCDNSA-N	459.081	3.583	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1OC	408872213	BFFAVPNZLYWMRM-BRICTROGSA-N	456.324	3.975	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc1I	408904942	QUFMKYBVRXEIBU-PMPKKLMISA-N	483.313	3.898	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	409026715	VXPBSMIMVZMGKX-XIEYBQDHSA-N	480.546	3.893	50	40	JHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409256625	MKLZHBPWLVUIJO-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409304115	QCLXVQYXEXXFFJ-NHCUHLMSSA-N	499.976	3.848	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20233293	DRCWPJCKYAFPPP-KOEQRZSOSA-N	496.545	3.729	50	40	JHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1	33364527	ASAIBMVVGYFAIQ-CHHVJCJISA-N	451.435	3.767	50	40	JHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2cc([N+](=O)[O-])ccc2s1	108305046	ORWRFMVVJUVAPP-QGMBQPNBSA-N	467.244	3.884	50	40	JHGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)Nc1ccccc1	217039407	FQOQBBMJHWDOFU-CIAFOILYSA-N	477.340	3.676	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728891	WBCITMKGFWMCPO-UHFFFAOYSA-N	494.957	3.807	50	40	JHGB	
CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	408758550	MIAYTABRUQLFHR-WYMPLXKRSA-N	458.312	3.934	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c1	408864497	WIDJLRKHRPKBJW-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408885225	XZBNBYLZYJBNRW-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409028510	OIGFBYBDHGPDGW-KOEQRZSOSA-N	491.610	3.836	50	40	JHGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	2660239	JSQRKBXDHZKOIA-AFUMVMLFSA-N	489.960	3.522	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8983990	UUUGKDLVYBHCQS-HXUWFJFHSA-N	478.421	3.944	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc12	9381742	UVEYWZVWCFSZMV-HUUCEWRRSA-N	474.608	3.728	50	40	JHGB	
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2	9540292	AKRGEPQSDXLFLV-RPPGKUMJSA-N	481.892	3.859	50	40	JHGB	
O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	12554458	FDSOTAGFHQLRFN-XMMPIXPASA-N	480.446	3.898	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(=O)O)cc3)nc3ccccc3c2=O)cc1	32577060	YKXDXNLDXGXZAN-WGARJPEWSA-N	472.526	3.635	50	40	JHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1	58873698	ICGDIDSIMCTSDO-JEWIKEISSA-N	478.936	3.685	50	40	JHGB	
COc1cc(C(=O)Oc2cccc(/C=N\NC(=O)Cc3cccs3)c2)cc(OC)c1OC	71335785	YSULBJFZCCFEDJ-OYKKKHCWSA-N	454.504	3.686	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408861463	AXFZEQMJGKQNOY-JJIBRWJFSA-N	487.603	3.809	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1	408925447	TWZMJXMHGMESHX-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c1C	409229455	PGGSCCWUYPOCJS-BRJLIKDPSA-N	465.579	3.838	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(F)c(Cl)c1	409253762	BWXRYLZUUBDCGO-KKMKTNMSSA-N	486.862	3.725	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccccc2)cc1OC	1069117	KZMANYRPHBFNRF-CVKSISIWSA-N	474.546	3.589	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1	11699291	METJOKONGMSVKU-UHFFFAOYSA-N	455.561	3.670	50	40	JHGB	
CC(C)c1c(C(=O)NNC(=O)c2cc(Br)c[nH]2)cnn1-c1ccc(C(F)(F)F)cn1	36760657	PWUTXDIMLWJGPN-UHFFFAOYSA-N	485.264	3.575	50	40	JHGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1	109032447	LBBYYWWEZDYAGR-XQNSMLJCSA-N	478.545	3.997	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(F)cc1	408606442	MADDAFGOWZXAHO-JFLMPSFJSA-N	465.481	3.901	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(F)cc1	408659941	KIIVEMBPXJMREY-YRXWBPOGSA-N	493.318	3.735	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC	408882939	RWCGQKZNKVYOLU-VCHYOVAHSA-N	454.910	3.991	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2Cl)cc1	409063773	NAHXEVMWLDISPM-LGJNPRDNSA-N	499.976	3.718	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OC	409221595	SOVQGIGAHAFXRG-NHDPSOOVSA-N	456.255	3.530	50	40	JHGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1	6163273	KDKNDYORFACIRR-XDJHFCHBSA-N	452.507	3.902	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	16157613	AVUJUZOVASWCRQ-VWLOTQADSA-N	456.527	3.547	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408608068	VAQYGAXLOLTOPI-LJQANCHMSA-N	464.503	3.681	50	40	JHGB	
CN(C(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1)C1CCCCC1	408680757	GJIZCRSTVAIDGH-YRYYUTHUSA-N	475.383	3.601	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc2ncnc(N)c12	408973928	QTNZONGQIYLGQY-NSKAYECMSA-N	462.491	3.833	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2	409028176	IGJNDXPXEUKBLA-ZXVVBBHZSA-N	493.585	3.886	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c1	409159601	OBKLWKHRPSOQND-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OCC	409334351	KZOXKTVAJYMQFB-MSXFZWOLSA-N	464.902	3.763	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	12445986	GUDCIVDRTGIETH-QFIPXVFZSA-N	475.457	3.971	50	40	JHGB	
C/C(=N/NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1O	16285113	GAECGQJAAVUTTH-PLRJNAJWSA-N	451.548	3.745	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC	19947965	JBDCQOLMSDLZHE-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(F)cc1	20211985	GKSQXHIZLAGJTB-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl	408609215	JRWUMNDENSJNPW-WSFCMVBOSA-N	494.375	3.716	50	40	JHGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCCOC)cc1Br	408820039	ZYVNAAVLJLHHMN-MDWZMJQESA-N	458.150	3.836	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1F	409252218	WTJGTDKZPGLLLB-AUWJEWJLSA-N	462.275	3.668	50	40	JHGB	
O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)NN=C(c1ccccc1)c1ccccc1	9392040	VSIRLIZXQYLKFO-UHFFFAOYSA-N	487.531	3.790	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)cc1	100392646	UELZMDOZRTURNH-UHFFFAOYSA-N	492.630	3.957	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)cc2O)cc1	408745428	SBQYWIHHRCFODB-GHXNOFRVSA-N	450.232	3.647	50	40	JHGB	
O=C(N/N=C/c1cccnc1)c1cc2cc(Br)cc(I)c2o1	409015491	ZXQIPELHCJXJHY-UFWORHAWSA-N	470.064	3.959	50	40	JHGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409030435	DJBBJBCKFARBQB-SAPNQHFASA-N	471.513	3.975	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409162799	HZSQBFQWUUZFNA-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1	2320020	CLWAVZPHEVHTET-WSDLNYQXSA-N	473.400	3.553	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc(Cl)c1O	8854871	CEWITDYKBFRCNY-KRWDZBQOSA-N	484.896	3.688	50	40	JHGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2	9210224	PJHGAFDNWNHOGH-UHFFFAOYSA-N	464.485	3.588	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc2c(c1)OCCO2	9633811	RDRORUPBFXLEFX-WGOQTCKBSA-N	471.542	3.948	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	18188383	BUEPLBGROHDBIH-SLQWDELCSA-N	487.560	3.561	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	59435890	JOCUGGYISKKIBV-HZHRSRAPSA-N	461.996	3.785	50	40	JHGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(O)c(O)c3)C(C#N)=C(N)O2)S1(=O)=O	67225347	ZIEJKWTXPPYISH-HSZRJFAPSA-N	487.537	3.933	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2C)c(C)c1	409023025	FFDJMXDZDDCUAH-AFUMVMLFSA-N	497.577	3.535	50	40	JHGB	
CCOC(=O)c1c(CBr)n(CC(=O)OC)c2cc(Br)c(OC)cc12	1103280	BZCGBQKUHIDCRP-UHFFFAOYSA-N	463.122	3.657	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12	2405448	HZGOOZYBZSNJKJ-BAILOTOSSA-N	464.909	3.651	50	40	JHGB	
C[C@H](OC(=O)CCCCCCCCC(=O)O[C@@H](C)C(=O)OCCCl)C(=O)OCCCl	5735075	MXPVYLPUJSHHSE-HOTGVXAUSA-N	471.374	3.535	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1OC	9464966	OGOJAERPBKZANA-WGOQTCKBSA-N	456.506	3.560	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	16479037	BQYQCTNGRUNWEB-KOEQRZSOSA-N	455.967	3.724	50	40	JHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NCc1ccc(Cl)cc1	408830272	LQFGHVWIBOJRMJ-ATVHPVEESA-N	455.923	3.635	50	40	JHGB	
Cn1cccc1/C=N/NC(=O)c1cc2cc(Br)cc(I)c2o1	409020242	NASSYEHIEWVUOF-QGMBQPNBSA-N	472.080	3.902	50	40	JHGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1	409057194	JBSCWSIRAFEAGD-ZRGSRPPYSA-N	470.316	3.882	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1	409163428	RGPBSWXWJBDUGC-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1	18102470	LUYUIKJNYOKUKP-UHFFFAOYSA-N	471.233	3.599	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccccc1Cl	59960059	JJUNYDHGLVHESV-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
N#CSc1ccc2nc(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)sc2c1	408533593	OLKCNXBHKBRWFM-DHZHZOJOSA-N	455.908	4.102	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1OC	408569126	YXMUFEBCRZSTNE-SRZZPIQSSA-N	452.292	3.618	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl	408776311	NMWKBNGWUITLDD-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc([N+](=O)[O-])c1	409026061	FBKUAESLNJCXSQ-MFKUBSTISA-N	476.514	3.818	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409114849	LPAIGHZICKZDGW-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	409169567	QANIDNODTBHHOT-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1	1790841	SERLIDIGIRUVCX-QUWSGOTNSA-N	456.365	3.930	50	40	JHGB	
Cc1ccccc1NC(=O)[C@H]1CC(=O)N=C(NNC(=O)c2ccc(Cl)cc2Cl)S1	2381673	ATHWBZIGMCBFGF-OAHLLOKOSA-N	451.335	3.563	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1F	9110682	LNYHGIOOGJTLAX-RTWAWAEBSA-N	481.549	3.942	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c(OC)c1	9186680	HDEAFMIAOGVSIU-DICXZTSXSA-N	488.569	3.954	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	16187193	YBYYAUALNYTHHM-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1	20060162	FRJPPIJKWKFPBY-ZVHZXABRSA-N	457.939	3.776	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC	39986635	RZCGUAOYRPDGAB-MFKUBSTISA-N	475.611	3.570	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59921922	KPMSLFCTFIISIU-LPYMAVHISA-N	484.803	3.654	50	40	JHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	101708175	RGBRNXPPRGCEBW-WSDLNYQXSA-N	481.377	3.733	50	40	JHGB	
O=C(CCCCC(=O)N/N=C\c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O	104371571	WLKAPPKBZOTPRS-CBSQCECLSA-N	451.310	3.565	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1	408764307	MAENEHLCKSWREU-XDEFOSFOSA-N	497.573	3.651	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)Nc1ccc(F)cc1	408968886	ZYCBJKLXJOJECI-XODNFHPESA-N	464.428	3.626	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	409007910	RQOFITPRTGWULG-JAIQZWGSSA-N	483.262	3.761	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409151292	AECWNVKTAYYABC-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1	409154845	KXSDNXFWARYQIM-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c(C)c1	409165578	ZSECMLRRRIVNPD-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1	409259783	FGYGCICHUPMTOR-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccc(OC)cc3)c3ccccc32)o1	409393006	OPCJZBIRWSYAGA-ZMFRSBBQSA-N	461.474	3.607	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccco3)cc2)cc1	2551595	FDHLGKVRCUIEAT-UHFFFAOYSA-N	464.547	3.779	50	40	JHGB	
O=C(CSc1nnc(SCC(=O)NN=C2CCCCC2)s1)NN=C1CCCCC1	6003888	SXPGVKFECHJASN-UHFFFAOYSA-N	454.647	3.595	50	40	JHGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	14921495	YVDFHEYDKIRCAN-LSHDLFTRSA-N	468.253	3.873	50	40	JHGB	
Cc1ccc2c(c1)/C(=N/NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C	15912780	XCJJNVGKANHJNX-SLMZUGIISA-N	499.409	3.791	50	40	JHGB	
C/C(=C(\C#N)P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1)N1CCCC1	58448586	CFAARXFTKFYSGQ-QOCHGBHMSA-N	474.502	3.773	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc(OC)c1OC	73123675	KLYSZBKELNHMBM-OYKKKHCWSA-N	454.354	3.760	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	211061920	DVKVNQQHYZVQEB-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(C)cc(C)c2)cc1	408776147	UPTNWZSQQWGMHR-MFKUBSTISA-N	451.548	3.663	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408788086	IFHRLMBVVZZHAQ-RIYZIHGNSA-N	475.295	3.651	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Br)cc1O	408874725	FVNMXIUUFYGKSG-VIZOYTHASA-N	461.312	3.794	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC#N	408997810	IQMFTIITRTYYRF-LNVYCVNDSA-N	470.529	3.999	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	409024900	IUXMKLAUDFSOKP-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2OC)cc1	409027683	DLDAKHDTDWEXEU-UHFFFAOYSA-N	459.568	3.726	50	40	JHGB	
Cc1c(Br)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1Br	409161286	MHIDLWVSGSQVBM-QPSGOUHRSA-N	469.133	3.811	50	40	JHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409167237	HZDQSVXRVAKGNN-IPBVOBEMSA-N	498.889	3.599	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1C	409369717	FFAPSMMKZNEXNI-UNOMPAQXSA-N	498.377	3.849	50	40	JHGB	
C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC	2179317	JRDZYPFNMQBOMM-QGZVFWFLSA-N	496.301	3.509	50	40	JHGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1	8819894	IKRRJLNOAMJFKC-SILNSSARSA-N	483.615	3.918	50	40	JHGB	
N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(c3ccccc3)c3ccccc3)CC2)cc1	12815808	PEUGCJVNSVHPKN-UHFFFAOYSA-N	460.559	3.828	50	40	JHGB	
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)o3)ccc12	12820308	SLXPTDMGWNLYDQ-CQSZACIVSA-N	450.422	3.729	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1	19949219	RDIJCUXFURHBBQ-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
O=C(/C=C/c1cccc(F)c1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	22939620	RQBNCCCDZCSQMD-CCEZHUSRSA-N	486.591	3.784	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1	58853787	LWVCKUKSEPORHU-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1	58913560	DSSUNLVCCROYER-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C)cc2C)cc1	408781073	REIHEMSRIRKSAP-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OC	409132164	LODDXCFAWPWIKE-QGZVFWFLSA-N	464.259	3.622	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409237070	VSIUHQSEALHXIP-FBCYGCLPSA-N	488.205	3.869	50	40	JHGB	
COc1ccc(F)c([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	1259800	RQMIJFNCXIQFAM-LADGPHEKSA-N	483.503	3.896	50	40	JHGB	
O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	1830497	QBLOWDHNSQIPNU-HNRMCSCBSA-N	472.932	3.537	50	40	JHGB	
CCCCOc1ccc(OCC(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1	2807148	PIQXCAUTCVIIMT-UHFFFAOYSA-N	489.322	3.574	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NN(C)C(=S)NCC(C)C)cc1OC	12815688	HZKUVMUKWZGKDX-UHFFFAOYSA-N	467.595	3.664	50	40	JHGB	
Cc1cc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(C(C)C)cc1Cl	15314571	AMTLFBVYAOIWCL-UHFFFAOYSA-N	473.017	3.510	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	16136882	WCXUWOAWKHPGJM-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
O=S(=O)(O)c1ccc(NC(=S)SSC(=S)Nc2ccc(S(=O)(=O)O)cc2)cc1	16428578	CFLFQHUJFRIMAB-UHFFFAOYSA-N	496.660	3.655	50	40	JHGB	
O=C(Nc1cccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1)NC1CC1	68729126	HYGYKJUWJQEKTP-UHFFFAOYSA-N	480.528	3.898	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(OC)c1	408652030	NYEQDRVQFFHDDS-BEFAXECRSA-N	463.889	3.619	50	40	JHGB	
CN(C(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1)C1CCCCC1	408680756	GJIZCRSTVAIDGH-PJBUMPDVSA-N	475.383	3.601	50	40	JHGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1Cl	408776326	YQVKDZBGLPLOOV-SSDVNMTOSA-N	452.319	3.829	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408826868	DJDRMIQHDUALBL-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1OCC	409006544	OTOPUXYIKIJQBE-OVVQPSECSA-N	467.566	3.885	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409220841	GPTDTJMBKAPERV-VYYCAZPPSA-N	453.445	3.684	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1CC	409251507	PFWBFYYJVKPRRD-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1)c1ccccc1Br	1435222	MEMWLGCGOVPYMS-RNRKLAHPSA-N	481.302	3.958	50	40	JHGB	
O=C(NNC(=O)c1cc(/C=C/c2cccc([N+](=O)[O-])c2)nc(S)n1)Nc1ccc(Cl)cc1	5722680	ZXSOAHFHWNCIFL-QPJJXVBHSA-N	470.898	3.964	50	40	JHGB	
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)Cc1ccccc1	13955609	XYRXPTZNGCQCGG-HHHXNRCGSA-N	466.541	3.802	50	40	JHGB	
C/C(=N/OCC(=O)N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccs1	16136692	IQFUBNQFEOSUFV-DWUWKYRSSA-N	456.480	3.878	50	40	JHGB	
CC(C)[C@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1	408535576	TYMGSIGBNQGIFF-FQEVSTJZSA-N	472.387	3.953	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1	408839647	BOAQWWAGKMGTKY-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1	408858745	PCJARBLLBJLWBB-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(C)(=O)=O	408863998	SFBZMNXTLALTAF-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(I)o1	408954752	UYFBATCKGZDMQU-FMQZQXMHSA-N	483.487	3.829	50	40	JHGB	
COc1ccc(C(O)(C(=O)N/N=C/c2ccc(Br)cc2)c2ccc(OC)cc2)cc1	2272444	HHOWXJHJGDEBLN-MFKUBSTISA-N	469.335	3.853	50	40	JHGB	
Cc1sc2nc(CS[C@H](C)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)[nH]c(=O)c2c1C	3428043	YFMBOMKYOANQMB-CYBMUJFWSA-N	495.586	3.608	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccccc2F)s1)N/N=C/c1cc(Cl)c(O)c(Cl)c1	8874999	UBRVPECYGJVQST-GZIVZEMBSA-N	468.297	3.635	50	40	JHGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Br)cc1	18323778	DPJPUAWHKXUMBT-IWDIQUIJSA-N	465.967	3.876	50	40	JHGB	
CN1c2ccccc2C2=C([C@H](c3ccc(F)c(Br)c3)C(C#N)=C(N)O2)S1(=O)=O	20558337	GIGPKWZUXZFDPT-MRXNPFEDSA-N	462.300	3.544	50	40	JHGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)N[C@@H]1CCS(=O)(=O)C1	27018037	WWLHVOYEBQZQKR-DLBLZJNESA-N	482.565	3.903	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(C)cc1)Cc1ccccc1	33654326	ZWMKWJANCHDJSU-QQXSKIMKSA-N	465.575	3.653	50	40	JHGB	
O=C(N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	33911401	XOVKJSWCGURAKZ-DZCITIIWSA-N	464.390	3.585	50	40	JHGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5c(sc(=O)n5-c5ccccc5)[C@H](c5ccccc5O)[C@@H]43)[C@H]12	245241343	ARUMZEVBQXCFRH-GUNPUFNOSA-N	477.563	3.793	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1	408615235	NTGSRBBCCIVDCP-JFLMPSFJSA-N	465.481	3.901	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408786779	WACYCQXTTMEKST-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409149254	ZUWSDFFYPMJMHC-UHFFFAOYSA-N	496.976	3.625	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	409168782	NOGCKKGLBWFQSY-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nnc2-c2ccc(C)cc2)cc1	1245899	GATGFUKMQMJDRE-UHFFFAOYSA-N	498.568	3.816	50	40	JHGB	
Cc1cc(C)n(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)n1	9666201	GEGFTCOZMYFHJM-MZJWZYIUSA-N	466.501	3.609	50	40	JHGB	
CCN(NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1)c1ccc(C)cc1	10024329	LNRQODHWFONCET-QFIPXVFZSA-N	493.633	3.979	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1	12276878	HCWYREWXDZNJOS-SFHVURJKSA-N	452.492	3.704	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)Cc2ccccc2)c(C)c1	15228133	DYVXPMOFHVQPOQ-MZJWZYIUSA-N	493.585	3.682	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(Br)c1OC(C)=O	18201255	CTJUNCJQWRUKFK-KRWDZBQOSA-N	495.285	3.524	50	40	JHGB	
COc1cc(OC)c([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC	20348318	CHDNRJRVIMBJRW-QGZVFWFLSA-N	451.548	3.927	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O	36235402	QNCHLTTUODIJKQ-JAGHAZBJSA-N	472.545	3.778	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	39978372	AVPRZRQAGNWYTD-GATIEOLUSA-N	495.388	3.577	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCC2)cc1	59443755	GUOMDRJDFCQIHN-UHFFFAOYSA-N	484.622	3.705	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1	408841931	MKMCIXLOCVLJQM-VKAVYKQESA-N	451.504	3.702	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1	408980298	QJUMXDQEQCOGEC-TTXZLZEXSA-N	461.360	3.843	50	40	JHGB	
COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	409028865	RUMHXINBTBRREG-WLXKGNRNSA-N	467.547	3.792	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c(C)c1	409263771	OEWFTWKTHYAPLQ-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
CCCS(=O)(=O)/C(=C(\C(=O)c1ccc(C)cc1C)[n+]1ccccc1)[C@H](Cl)S(=O)(=O)CCC	3668232	GDBXBZDPCHBHQK-VLDYRDDYSA-N	499.074	3.857	50	40	JHGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc(OC)c1OC	10007582	ZNCBAWVSFMYISM-QGZVFWFLSA-N	467.547	3.731	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250409	HJWFVZNUDHMTNU-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
O=C(CCc1ccccc1)NNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12	13957653	LAIAUGFCRUMQIG-MHZLTWQESA-N	466.541	3.883	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1	14356555	GEOQUILMCLGKLE-WPWMEQJKSA-N	453.506	3.501	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1	19950723	AVSKFSIAOLTSJA-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(I)c1O	30833229	YNIQHFZAHPAQLA-UKWGHVSLSA-N	474.682	3.578	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	33525748	OAJZAXXVNVACGM-QUPMIFSKSA-N	456.590	3.943	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	58913648	XBSDWELJZKWACN-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)cc1	100539751	ODDDSEGRTUEPNP-XALSLBCYSA-N	477.978	3.731	50	40	JHGB	
COc1cc(Cl)c(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OC	408591822	VKCMUGXARHGPOM-ZVBGSRNCSA-N	473.698	3.524	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408939973	NRXGGUDVOGHQSJ-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966824	OJZBUODQKCFJPW-BOPFTXTBSA-N	454.939	3.941	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)c1C#N	408996598	JBMZEJFOZOXVDH-LUOAPIJWSA-N	496.907	3.637	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccnc1	409016079	SEUVXBMPZJRYNL-CVKSISIWSA-N	491.400	3.772	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(Cl)c2)cc1	409139055	LVCSMYHSWGVKEM-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I	409240143	FQVTVAOGKPAAAT-RGEXLXHISA-N	470.310	3.959	50	40	JHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Br	1437587	DWEQHMPODUJIGE-DNTJNYDQSA-N	472.679	3.557	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F	2309487	KECHZCQOLHDEOO-OALUTQOASA-N	457.458	3.915	50	40	JHGB	
N#CCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21	2356890	WZVCDYABIAEZGB-PLRJNAJWSA-N	475.730	3.652	50	40	JHGB	
O=C(NNC(=S)Nc1ccc(SC(F)F)cc1)[C@@H]1CCCN1C(=O)c1cccs1	2621354	OMWFBEQLQASRQS-ZDUSSCGKSA-N	456.565	3.685	50	40	JHGB	
O=C(N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)c1cccc(Br)c1	3162214	ZYRGIFWIBNUJJY-CIAFOILYSA-N	469.324	3.933	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1	8817606	ZUHSVHUZYLIAEF-QGZVFWFLSA-N	451.504	3.525	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1	58881175	ZGEQSJZREZOBEY-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc(OC)c1OC	408603385	GHLVHQRMBWEXJD-FQEVSTJZSA-N	462.531	3.789	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-]	408711888	PAFUYYIVNORLCL-YBFXNURJSA-N	453.236	3.752	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1	408980861	TYEFURFZNPYBMI-SVZNOHIVSA-N	463.288	3.685	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1	409130117	LVHVZMXTNGIHPD-NHCUHLMSSA-N	463.559	3.722	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OC)cc1	409268690	XPDHPTCMLUUFPX-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)c(OC)c2)cc1CSc1ncccn1	9441266	VGSFYAJPHYALCT-CVKSISIWSA-N	452.536	3.949	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C	9634584	MAFOOWXAFXGGFI-UDWIEESQSA-N	494.548	3.721	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCn3nc(-c4cccs4)oc3=O)c3ccccc3n2)cc1	9799401	LVGLBXFXHPHDQW-UHFFFAOYSA-N	499.552	3.940	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	16137068	PGDYIHFGMLAWBN-XQNSMLJCSA-N	452.492	3.574	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccccc1Cl	17211318	BZPAJRJMTBCQFV-WEHFJGPMSA-N	491.891	3.694	50	40	JHGB	
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	18110954	HOHNLPSGCUPWAR-UHFFFAOYSA-N	465.531	3.519	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19947891	FEXSZLAOZSWGBQ-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	20240478	ZNXWPOCJEMAEBB-VUTHCHCSSA-N	470.573	3.555	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(I)c1	107798282	SVTOTIKBTDRGEG-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409162825	IKCRFRPQUHIFEW-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	409224801	MBJONWMVDCVQFD-MYKKPKGFSA-N	467.821	3.960	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccc(OC)cc1	409370519	SCXKEOGUIHWHPB-YUMHPJSZSA-N	477.517	3.884	50	40	JHGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1	1434343	QSJFGZOSXIUCKL-UFWORHAWSA-N	456.094	3.682	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1	1790833	WUFRRPVCCWCCEF-QUWSGOTNSA-N	456.365	3.930	50	40	JHGB	
O=C(N/N=C1/C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccc1Br	13756247	OKJSDGZIUJJCAM-HIXSDJFHSA-N	455.356	3.763	50	40	JHGB	
CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1	13759312	KLFDZDXKTPYNNO-PGMHBOJBSA-N	489.601	3.757	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(C)cc(C)c2)ccc1Cl	14804188	XZUAPUNMYVPGBV-UHFFFAOYSA-N	487.965	3.841	50	40	JHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)ccc21	15348400	ASTWZZKDHOAFNT-HNNXBMFYSA-N	464.526	3.584	50	40	JHGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1	17446452	RSCYXDKASRBAJC-UHFFFAOYSA-N	493.969	3.905	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1	19956735	LLHFKHQAXJABDA-AFUMVMLFSA-N	497.598	3.791	50	40	JHGB	
COc1cc(C2=C(C#N)[C@@H](N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1O	20477714	COETWHXPNNCNGN-FQEVSTJZSA-N	453.296	3.660	50	40	JHGB	
CCCOc1ccc(C(=O)NNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1OC	29384129	UPVZZZKLRWNIMQ-UHFFFAOYSA-N	456.568	3.795	50	40	JHGB	
CCOc1ccc([C@@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408602537	CHDDKCMHTXCGMI-HXUWFJFHSA-N	455.584	3.737	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(Br)c2)cc1	408788880	MTAVNENLUQRHFP-MHWRWJLKSA-N	487.306	3.723	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)O	409228102	ZYSBRDUQGPDVLZ-WQRHYEAKSA-N	487.350	3.967	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409251929	ALFKTNBKWRBHCI-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
O=C(CBr)Nc1cc2c(cc1C(=O)c1ccccc1Br)OCCO2	9057169	XPSJTAAFRVTJNK-UHFFFAOYSA-N	455.102	3.785	50	40	JHGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ncccc3[N+](=O)[O-])cc2Br)cc1	9323499	CAMMLLYYEIXUGA-BHGWPJFGSA-N	499.277	3.793	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1)S(C)(=O)=O	20208949	KSLZMMOTHKOFJM-TURZUDJPSA-N	492.601	3.808	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC#N	59333231	QSRZXKAMVLFPQM-RGEXLXHISA-N	450.926	3.897	50	40	JHGB	
O=C(N/N=C\c1ccc(COc2ccccc2Cl)o1)C12C[C@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2	102572008	CMWOVPUUHFPZNF-LLKWLIRFSA-N	480.956	3.944	50	40	JHGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1	408602553	DREFOVSDOICUFR-BRJLIKDPSA-N	450.322	3.723	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2Cl)cc1	408786588	SRUXXEBIQJOITI-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	935325	NIKLRKPMVBAVBB-XUMLYMLNSA-N	487.335	3.530	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc(Br)c1O	1086838	AOFSNFPHYZWWCW-LSHDLFTRSA-N	463.719	3.825	50	40	JHGB	
Cc1onc(C(=O)NNC(=O)c2ccc(Cl)nc2)c1-c1csc(COc2ccccc2)n1	2154475	ZFGKWYCLHGSKJG-UHFFFAOYSA-N	469.910	3.809	50	40	JHGB	
CCc1sc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1C	9317907	GETXZOSSAYYTFP-UHFFFAOYSA-N	457.577	3.519	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(C)c1	16267371	ORQRNUQWJJMUPW-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	20212144	HNOBNVCAUCKAER-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NNC(=O)c1cccs1	23587115	JHHQIIKLILPLAB-UHFFFAOYSA-N	482.612	3.939	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1	408659989	KMQLJKHOXPSJMB-MKXGPGLRSA-N	489.355	3.905	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1	8826188	UHMLOJHAKRBODT-UHFFFAOYSA-N	473.938	3.533	50	40	JHGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	8883171	ZXOLBZWUZJJKFU-NHFJDJAPSA-N	493.585	3.583	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2cc(Br)ccc21	9379752	ISGMUMTUWIBIPY-QLYXXIJNSA-N	451.324	3.901	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Cl	20059859	FWWYDGCVGVZMQD-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	34849539	WTPJFJSDCQNWJK-JBXUNAHCSA-N	490.475	3.767	50	40	JHGB	
CCCNC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)NCCC)cc2)cc1	253577418	XBAVLKZRPYHDPG-UHFFFAOYSA-N	456.735	3.507	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC(=O)OC)cc2Br)cc1	408745597	TXHNGXPFAWOOOV-DHDCSXOGSA-N	489.322	3.954	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1	408861478	BFHNGGIGDNIJKH-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC(C)C	408970608	JDTAADRVQWBSAO-VJWWNUEDSA-N	469.582	3.851	50	40	JHGB	
CC(=O)[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@H]1c1cc2c(C)cc(C)cc2[nH]c1=O	794670	QLVUUVHGXFTOAA-FCHUYYIVSA-N	460.921	3.828	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	918879	DTDDSWICHSRGKH-VULFUBBASA-N	462.462	3.693	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1OC	2438757	WSRHRMGFQHYBFF-SSDVNMTOSA-N	490.383	3.504	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250404	ZUFJXXHTJDHFAX-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1	19926237	MCRXPWNSBDBEBF-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1cc(OC)c([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC	20348316	CHDNRJRVIMBJRW-KRWDZBQOSA-N	451.548	3.927	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@H](c4cccc(O)c4)C(C#N)=C(N)O3)S2(=O)=O)c1	67225350	XREVMUTYZHHXGT-HSZRJFAPSA-N	487.537	3.927	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I	408543917	QRAFFBSYVOLVNQ-DHDCSXOGSA-N	472.238	3.547	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(Cl)c(C)c1	408948710	DEZZWCOGFAPDIE-RMKNXTFCSA-N	450.738	3.954	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC#N	408997811	IQMFTIITRTYYRF-TWDAMHRMSA-N	470.529	3.999	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409193033	HJRFLCDDEXLJJO-SRZZPIQSSA-N	468.678	3.729	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc(C)c1	409238126	CHBAIDLWWKNTSN-PXNMLYILSA-N	458.312	3.837	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409265680	NSMDVRNSJGNZMA-OZHCYYCFSA-N	498.889	3.741	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC#N	409375029	DKFJVWMUHGWMIG-YVNNLAQVSA-N	497.143	3.652	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3145802	RKNYGOQVQWPZDA-VULFUBBASA-N	462.462	3.693	50	40	JHGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	3311168	BFYFJKMPNVXXPA-UHFFFAOYSA-N	483.493	3.571	50	40	JHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)COc4ccccc4F)cc3)ccc12	3448198	SVDAERZXCBKZJA-UHFFFAOYSA-N	476.460	3.660	50	40	JHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1Cn1cccn1	12275842	MHRVCUYMGJYBBR-HFZDXXHNSA-N	472.570	3.892	50	40	JHGB	
CN(Cc1ccccc1NCC(=O)NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1	12609623	ZUEFUHSPRZRKQK-UHFFFAOYSA-N	458.990	3.743	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	16186904	JSFFZVAKRABKCJ-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816841	QKMKHNXDHZXSME-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1	19948246	YCKWABPVRDVPEC-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)COc2ccccc2OC)c2ccccc21	38177986	TWWPXDJGQCEMIN-FVDSYPCUSA-N	466.582	3.801	50	40	JHGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1	40020189	UYXFSXQAZDVOFE-CQSZACIVSA-N	466.519	3.887	50	40	JHGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC(F)F)cc1	96399131	WWDUYEXONNBZRC-IWIPYMOSSA-N	451.495	3.617	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	101150572	JAFJTLMZCVSLGT-GRRRKWKPSA-N	467.079	3.988	50	40	JHGB	
COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)NNC(C)=O)c1	199417699	RYDMJASSTFMNHT-SANMLTNESA-N	468.513	3.556	50	40	JHGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1cc(Br)cc(Br)c1O)OCO2	409106075	LYQHFLNJQMKIHX-SCDVKCJHSA-N	486.116	3.809	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(F)cc2)cc1OC	409137832	WRYXVGBIHQSLJK-BUVRLJJBSA-N	491.566	3.640	50	40	JHGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccn(Cc2ccc(Cl)cc2)n1	2738577	ZHZADSVDMQSSGI-SRZZPIQSSA-N	464.694	3.953	50	40	JHGB	
CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	8683288	XGHPKWUMIQSNEL-NOWCHVPASA-N	477.197	3.696	50	40	JHGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O)c1ccc2cccc(O)c2c1	101027836	XQGSDXSQVATCGC-WMMMYUQOSA-N	497.532	3.738	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(SC)cc2)cc1	408728270	YVGVWGHOCBUTIT-PCLIKHOPSA-N	484.603	3.548	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1	408745462	SNCUVTCBMSMIGX-DHDCSXOGSA-N	489.322	3.954	50	40	JHGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409047749	PIXFFZPYHBNKKN-FOKLQQMPSA-N	489.269	3.812	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1	409163747	XGLKFUKMVJZZKP-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(I)cc1	409356865	OGVUTSWIGLTJLV-DJKKODMXSA-N	458.097	3.616	50	40	JHGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	4132735	DZZOILYPILUFCL-KPSZGOFPSA-N	463.071	3.899	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	9906010	QWTKWHLFZLKQBI-GHXNOFRVSA-N	479.230	3.849	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1C	10021871	GZMMPCOUTHTSMD-WOJGMQOQSA-N	462.531	3.624	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	30734421	MFAYWSPNEPIHKC-QQKZYTCWSA-N	485.540	3.593	50	40	JHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1	245266629	KJZQVDAJUGJRCV-AJCKKNKHSA-N	451.517	3.761	50	40	JHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408609902	LZRJRHCDGSLBRU-BHGWPJFGSA-N	466.763	3.904	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(OC)c1O	408758764	QSSYZPBWPDHAFA-WUXMJOGZSA-N	450.232	3.560	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(Br)cc1	408785019	FIPPIQSNQVXPHH-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1	409117590	OCCOUSWNLLZVOY-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	409263919	IPBZBZBPDJOALJ-WPWMEQJKSA-N	474.517	3.582	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1	409268248	YJZVVPUFNHXFKE-LDWYRGJHSA-N	461.493	3.917	50	40	JHGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccncc1	695466	IELNOJKEEBOGNA-JFLMPSFJSA-N	457.563	3.867	50	40	JHGB	
O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1	695803	MYSUJFBBHDRHSX-YCPBAFNGSA-N	481.875	3.646	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(N(C)C)cc2Cl)c(Cl)c1	1691806	FJYMRGTUNGCSCR-CIOBDNPFSA-N	491.423	3.896	50	40	JHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)NCCCl)CC2	5409826	JAWNITNZPHEEQL-INIZCTEOSA-N	478.998	3.987	50	40	JHGB	
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	8427392	MWHIESLIAIBUMZ-BUVRLJJBSA-N	469.567	3.797	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1OC	19926312	WRRIFZLJLWTNGN-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	59443789	FLHOMBFQKYRSDC-DHRITJCHSA-N	465.453	3.640	50	40	JHGB	
CCOc1cc(C(=O)NN)cc(I)c1OCc1cccc(Br)c1	226326787	MPDKCUQSIQNZNF-UHFFFAOYSA-N	491.123	3.635	50	40	JHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(I)c2)cc1	408793611	PQVODJWGEAREGJ-MHWRWJLKSA-N	490.297	3.951	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409125985	KXSWODNWJTWFQH-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c(C)c1	409170248	TYYILINVAFTYDJ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1OCc1ccc(C(=O)O)cc1	409188053	WOVJONBIUKWVEA-DICXZTSXSA-N	477.517	3.568	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	409266868	RWGSAWRFQYSKLC-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccccc1I	1024407	GTTOYIRZTRBSPS-UHFFFAOYSA-N	481.677	3.983	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC	2078206	GVUIMEKQTBNHHZ-CIAFOILYSA-N	466.275	3.637	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1OC	2311000	BGUHVZJHFVQCNC-LEWJYISDSA-N	481.530	3.654	50	40	JHGB	
Cc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1	13134850	VYMVWBWRSNTLOU-UHFFFAOYSA-N	496.054	3.766	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccccc1	19926353	SORMAXQMGMNIJO-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
CC(C)C(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1)C(Cl)(Cl)Cl	27025557	HNFSMFVPPBVEAG-DAFNMPDCSA-N	457.745	3.693	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OC(C)=O	59333058	UUKUGOAFXHAGEU-PDGQHHTCSA-N	484.350	3.639	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)cc1	409156537	OEVQZKUWLJVNIX-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1	2236211	PGEXNCTZQKDCTN-GBWQBGJGSA-N	465.469	3.897	50	40	JHGB	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)N/N=C/c1ccccc1O	2264055	NFHBGDJXAZAPPW-ZVHZXABRSA-N	474.502	3.791	50	40	JHGB	
COc1cc(NC(=O)NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1	2532767	DMFICCAMGAJHON-UHFFFAOYSA-N	454.719	3.679	50	40	JHGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)cc2)C1	9367593	LYMLIPMOFSVQMS-NTWJMAJXSA-N	450.564	3.833	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)CNc2c(C)cc(C)cc2C)cc(Br)c1OC	12607816	MGEIHXKYYCRLDT-UHFFFAOYSA-N	464.360	3.655	50	40	JHGB	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	13145618	QLAMNWPAFRBOFW-OAHLLOKOSA-N	469.950	3.555	50	40	JHGB	
CCOc1cc(Br)c([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	23380907	PRUCRYGXNPMBHY-DYESRHJHSA-N	482.382	3.602	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(F)cc1	35105132	NBPPHQKCQQXOMT-MXAYSNPKSA-N	466.425	3.524	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O	408871519	GZVVJYOIMDWOER-FSJBWODESA-N	451.976	3.600	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccc(C)cc1	408968725	YGHMUHZJRNRKLQ-CCVNUDIWSA-N	460.465	3.796	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OC	408981973	WXCSBASUMQQTAI-UBCTUXONSA-N	495.601	3.962	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccccc1F	409101473	UFSQKJHAWGBMLH-CNHKJKLMSA-N	463.044	3.662	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	409134999	QOCNZBYNFNIJRO-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	2261574	UKTYLMSZNUFCBD-KRUMMXJUSA-N	495.366	3.719	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409124233	APUAOJZXHAUDPJ-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2c(c1)OCO2	59334400	RVYPAJNNMIJHGU-CHHVJCJISA-N	459.296	3.761	50	40	JHGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	3103009	RSEGYVAADUWZBC-UVHMKAGCSA-N	498.308	3.688	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N3C2)c(OC)c1	2215475	IIJDBUFMZSHEOU-QGZVFWFLSA-N	467.547	3.940	50	40	JHGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408736986	KMRRHSALZMPZAE-RLWVUDJFSA-N	474.517	3.723	50	40	JHGB	
N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)NCc1ccccc1	408741072	NRZJCMYHRQAWRE-AWNIVKPZSA-N	483.103	3.983	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OC	409336908	VKTBYKCZHQXIFZ-IWIPYMOSSA-N	454.504	3.544	50	40	JHGB	
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	9305946	PNNOQIVQGOEHKZ-WHYXJLTFSA-N	498.539	3.771	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1	409071678	KYEQFMQSGKPXLF-RGEXLXHISA-N	462.483	3.787	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1OCc1ccccc1	408972887	HIZMLGXQFBBDDO-JPJGIZCJSA-N	457.530	3.740	50	40	JHGB	
CCc1ccc2c(c1)/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)C(=O)N2	16162153	IMJNTACEJREFAB-UHFFFAOYSA-N	496.976	3.570	50	40	JHGB	
O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	13756449	PAQMUEGKLJUSJK-UZGQFBKSSA-N	484.468	3.910	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccccc2)cc1	1474438	QLQJWYOEKODLSL-CVKSISIWSA-N	489.557	3.987	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1	2663075	NFEZDVMPYXUKQQ-CCVNUDIWSA-N	471.517	3.521	50	40	JHGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4458659	OFGILAYHJGVFRE-GATIEOLUSA-N	461.869	3.732	50	40	JHGB	
COc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c(OC)c1	6166524	ZORSZAIBVAQYHT-ZRGSRPPYSA-N	462.531	3.601	50	40	JHGB	
CCOc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12	9381755	VVHOCNYXGDVBKV-UHFFFAOYSA-N	460.581	3.627	50	40	JHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1	12973639	AMWCBKAPSQDFIQ-UHFFFAOYSA-N	450.925	3.698	50	40	JHGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1	30728514	VJALWEMEEFZEPH-RGBRTJQNSA-N	482.290	3.692	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408608603	HUZGVZNLATURQP-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OC)cc2Br)C2=C1CC(C)(C)CC2=O	409146277	KKRNHDGQRSKHOC-HXUWFJFHSA-N	490.398	3.849	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c1	409161638	WSLLUWURUFOUAR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(O)cc1	695571	DMQZRJSANWSBSI-YSGZUTGPSA-N	450.568	3.721	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1Br	1434445	FYWAMNYGNJKRNN-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)n1	14514719	FIKLCUGJAPJUQQ-UHFFFAOYSA-N	459.510	3.614	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1c(Cl)cccc1Cl	17471816	ZOISPJUNPGRFLF-BHGWPJFGSA-N	450.322	3.700	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	107679675	WXVHPDNTJFRREO-CNHKJKLMSA-N	465.241	3.950	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409153219	LYMGTRPLEUIRPC-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1OC	409221901	BPNLIBFLYFWYPW-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccccn3)c2C)ccc1I	409242032	UBGZTYAQGZHSHX-FMCGGJTJSA-N	474.302	3.866	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1	651091	NQPVYBGWJGLVCE-UHFFFAOYSA-N	473.558	3.805	50	40	JHGB	
CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n12	877169	QWZGERNLWNOQGJ-UHFFFAOYSA-N	453.955	3.960	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Oc3ccccc3Cl)nc12	13777221	BCNSRFGRHCGSGT-MOKGIYGOSA-N	464.909	3.651	50	40	JHGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1Cl	138607893	MDGVFBSHJLMZNW-UHFFFAOYSA-N	486.739	3.760	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	408726397	BKBQUGRVACIGPD-DHRITJCHSA-N	463.446	3.604	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1C	408871618	ZGDYKCKUFJXJBW-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408971203	HFCADKRHJNSNPD-WTFDWONZSA-N	469.582	3.852	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)cc1C	409117609	LLFFWODLZQQRJI-MFKUBSTISA-N	452.580	3.871	50	40	JHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1	409327896	XUBDPJADTGIDAR-HNNXBMFYSA-N	455.923	3.837	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1OCC	409331527	GABZCODDQJMATN-UUYOSTAYSA-N	498.317	3.957	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1	1326161	RJHBKEAICUAXCQ-GFCCVEGCSA-N	456.593	3.686	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	58918390	QHOCBSGBNIRFBM-NLRVBDNBSA-N	469.538	3.960	50	40	JHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	110233869	CNVHETGCNYFVDM-WSVATBPTSA-N	467.326	3.915	50	40	JHGB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br	112298338	VIPUVNZNYBLWFV-BOPFTXTBSA-N	470.352	3.990	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCC(=O)O	408750316	ZVYTWCNEEFTGRG-FOKLQQMPSA-N	457.280	3.838	50	40	JHGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I	408771603	JPRHNGXLFOUUKW-WZUFQYTHSA-N	463.113	3.884	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-]	408775323	GNCFQQZKCGIGCQ-CMPFEXHJSA-N	460.490	3.923	50	40	JHGB	
COC(=O)c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)o1	8438079	MWCHWAIZFIPRAB-DHDCSXOGSA-N	455.264	3.718	50	40	JHGB	
C[C@H]1CCCC[C@H]1n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1	13129230	HCVNJUWLPJSHBX-QFBILLFUSA-N	450.568	3.645	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1Br	14922759	QSLMNXYAZAIHAD-BUVRLJJBSA-N	462.344	3.974	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cccs1	23402672	HKGFIFCWCUHUHG-GIDUJCDVSA-N	451.083	3.585	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(N2CCOCC2)cc1	59087273	VMOSIXNFNRBIIP-HZHRSRAPSA-N	484.556	3.883	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12	408673374	RPBWEPFONGOTNG-WCVJEAGWSA-N	494.183	3.700	50	40	JHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1	408744153	JIYDMTNFLUYJOM-ZSOIEALJSA-N	462.243	3.609	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408772874	NSEBOEKGWMKAKT-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cccc(Cl)c1Cl	408906561	HIMFJMSDSDNZTG-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2cccc(Cl)c2)cc1	409069405	MSTQNTBDQZTJNT-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nc2ccccc2c1=O	1315098	LEMXKPDJFFXDPQ-VULFUBBASA-N	472.526	3.635	50	40	JHGB	
C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@H](C)C(=O)OCCCl)C(=O)OCCCl	5735081	MXPVYLPUJSHHSE-HZPDHXFCSA-N	471.374	3.535	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19949069	AJUOXWWLENHOPG-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	58881617	YYACLHDZNNWCBW-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	100558571	JAFJTLMZCVSLGT-RHIYVLOFSA-N	467.079	3.988	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1	138972625	ILDOGLWTEFDDOV-UHFFFAOYSA-N	475.501	3.592	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	211032379	NPOOVAUNZFDERN-NCELDCMTSA-N	480.546	3.915	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408926505	UIQUMNLLMCXOMT-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NC(N)=O	409240338	SQYKAJFQQBYJBI-QPEQYQDCSA-N	481.677	3.625	50	40	JHGB	
CCNC(=O)/C(C#N)=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O	2201529	JJSDWKDQCUKTNY-OQKWZONESA-N	455.562	3.505	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(OC)c1	9762438	MLZPXGKGGMGIKY-JFLMPSFJSA-N	488.569	3.954	50	40	JHGB	
CCN1c2ccccc2C2=C([C@@H](c3cccc(Br)c3)C(C#N)=C(N)O2)S1(=O)=O	57510545	JOWLZKAECDPWCP-KRWDZBQOSA-N	458.337	3.795	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C	59960046	KWMDDQFUGCMLSG-HXLYRSSUSA-N	472.545	3.648	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100769698	ZSOFWGIDBCDDFY-RCMCOFAMSA-N	491.556	3.973	50	40	JHGB	biogenic
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1	408861697	FTNOIIAJDJNZMN-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409186261	ZOUKNIOFEWOJFD-UHFFFAOYSA-N	488.566	3.934	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)O)cc1OCC	409334566	TWOAGHFHRCUXBI-FMCGGJTJSA-N	479.327	3.864	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N3C2)c(OC)c1	2215473	IIJDBUFMZSHEOU-KRWDZBQOSA-N	467.547	3.940	50	40	JHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1	3170280	VETBGOJJIHHPNB-CVKSISIWSA-N	469.457	3.983	50	40	JHGB	
Cc1nn(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c(C)c1Br	13776510	OWWPELQSOVPQOR-ZVBGSRNCSA-N	460.288	3.889	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1O	19956817	BGZAPDBQCISZQY-MFKUBSTISA-N	499.614	3.777	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247175	CWJODNLIRPWGMY-IZEYGWMZSA-N	459.527	3.953	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc(OCC)c1OCC	28701181	NASGZUYKSKAVCD-HXUWFJFHSA-N	472.538	3.515	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OC	59333334	DJUMMPYUOVPDGZ-QJOMJCCJSA-N	489.572	3.621	50	40	JHGB	
Cc1ccc(C(=O)NN(C(=O)CCc2ccccc2)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1	100128619	XHENDURGMOTEHI-QHCPKHFHSA-N	473.504	3.572	50	40	JHGB	
CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(Br)cc1	226328968	TYQALBYLPFZKIH-UHFFFAOYSA-N	491.123	3.635	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1	408656652	GCWAKBSOYUKIHL-JVSBHGNQSA-N	489.355	3.905	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4cccnc34)cc2)cc1	408761638	AGRIJIGTYFGVKY-JVWAILMASA-N	475.526	3.840	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408785178	ZGLHVTIVLQVXSQ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2cccc(C)c2)cc1	409066509	VTSHNYDWVDFOGJ-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(Cl)c1	409169172	PLEXIIKQVNULMK-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Nc1nonc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	27500004	FGNSTJNCKONUDH-PGGKNCGUSA-N	456.293	3.634	50	40	JHGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc2ccccc2c1	34701279	HNGUSFFWRDOOOJ-CVKSISIWSA-N	496.361	3.604	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cc(Br)c(O)c(Br)c1	59138261	IROILRJKNIKVRJ-DJKKODMXSA-N	457.122	3.874	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCc1c(Cl)cccc1Cl	408615837	SUMOWQOOQWDYLQ-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cc(C(F)(F)F)ccc1Cl	408923221	GJPTUTBCEDLWIX-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(I)c2)cc1	408932123	UILKNFUESFVVAT-CIAFOILYSA-N	459.243	3.544	50	40	JHGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Br)s1	408999347	KLXHRZIAGNPVHH-APSNUPSMSA-N	465.110	3.644	50	40	JHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccc(I)c2)c1	409099262	PTKCZRSTTISHRT-CIAFOILYSA-N	459.243	3.544	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)Cc1cc(=O)oc2cc(O)ccc12	4822046	WCRKUBGTWMEDDH-WGARJPEWSA-N	476.360	3.784	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1I	13844410	DASRAHWELUAQSF-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC	58925291	HNRPTMXVDBQQBL-JJIBRWJFSA-N	487.603	3.809	50	40	JHGB	
CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@H]4C(C)=O)[C@@]34C=C[C@@]2(C1)[C@H]1C(=O)OC(=O)[C@H]14	256440469	PSLJWFDKICJBAP-JFKHLYEASA-N	452.547	3.932	50	40	JHGB	in-vitro
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(Br)c2)cc1	408786510	RPHCBTQDJHFVME-LPYMAVHISA-N	476.352	3.696	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1	408898843	XXPOPQHVBSIYDI-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
CCc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c2)nc1	819784	MYVPTNBKYKYMKQ-JFLMPSFJSA-N	463.490	3.653	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1	2078247	NGFWSSLLFGYAJC-HZHRSRAPSA-N	469.475	3.525	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)sc2=O)c1	2213926	CYYAWDZUCYCFII-LSFURLLWSA-N	450.303	3.727	50	40	JHGB	
O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	8405582	WVUKENZRSBIILR-SSDVNMTOSA-N	483.897	3.808	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl	19951916	ABNULJRVOJTEDU-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)ccc1Cl	34145295	XEFAAPAPMUVZRW-SFQUDFHCSA-N	468.893	3.751	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1	57315315	RPOJCVSDSJEWBK-VUTHCHCSSA-N	486.572	3.568	50	40	JHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1	58873701	ICGDIDSIMCTSDO-VSWHYLHOSA-N	478.936	3.685	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccccc1	100220625	PNDQIDIGYIVDFW-XIEYBQDHSA-N	467.547	3.527	50	40	JHGB	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](NNC(=O)c2sc(-c3ccccc3)nc2C)C1=O	102347052	HNGOLGQFZSIJLW-MRXNPFEDSA-N	484.965	3.655	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2OC)c(C#N)c1C	408547598	ZSCVFEQRQLLGFH-OQLLNIDSSA-N	454.504	3.849	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408677959	CHSJRIYXGPPLDF-QMROVXIMSA-N	473.298	3.588	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(I)c1O	408764577	XNNDRPFCGMEREA-MDWZMJQESA-N	464.259	3.950	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	408776961	SNLFIOVOPPDNBQ-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)Nc1ccc(F)cc1	409170772	XDBZJQZQBDQBNZ-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1c(/C=N\NC(=O)c2ccccc2)cccc1[N+](=O)[O-]	409223187	FQFSZKYDAWXZEJ-MWIIGANGSA-N	460.402	3.886	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)cc2)cc1	4522104	XCEBSEPJMBGZFJ-PCLIKHOPSA-N	480.546	3.608	50	40	JHGB	
CCOC(=O)[C@H](NC(=O)c1ccc(C)c(N(CCCl)CCCl)c1)[C@@H](O)c1ccccc1	6089425	MPAQGQNPHJFAHN-RTWAWAEBSA-N	467.393	3.674	50	40	JHGB	
CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccc(NS(=O)(=O)c3cccs3)cc1)C(=O)N2	9583429	ICGNUYSYDFNYGO-UHFFFAOYSA-N	468.560	3.759	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)cc1OC	12275262	CMVZPWDRXZRPHW-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12	16036432	GPGJEJUNCOOXHD-NJIDJIDGSA-N	474.529	3.521	50	40	JHGB	
COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccc(F)cc1Cl	226336873	LLTZBKLQNDXZCO-GORDUTHDSA-N	476.673	3.674	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1	408611070	PUIGSBGCJBSQHT-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1O	408726392	RGQZEXJVAILHBG-SDQBBNPISA-N	479.230	3.849	50	40	JHGB	
COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	408995981	GELNNAWBGPEQDQ-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1	409006046	HDWFOBQACDQZAK-RWPZCVJISA-N	460.534	3.892	50	40	JHGB	
CCCCOc1ccc([C@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1833598	OPNSQROIYSQIMR-REWPJTCUSA-N	475.549	3.756	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1	2251522	ZISDZTJZUQORNO-XMHGGMMESA-N	453.589	3.746	50	40	JHGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2=O)cc1	9633267	UZWFUJYZVLAADU-IBGZPJMESA-N	495.539	3.510	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19951551	BOLCXOPJBKFARP-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	20214928	NPRZATWKAKUFTN-YDZHTSKRSA-N	490.379	3.527	50	40	JHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(OC)ccc3OC)c2C)cc1	58913622	QUBHXCJJYWULMJ-CVKSISIWSA-N	464.522	3.599	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408767473	KVHFVBZWYWLHNZ-BHGWPJFGSA-N	477.892	3.674	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)c(C)c2)cc1	408779672	HFSVGNPMHHCEJZ-MFKUBSTISA-N	451.548	3.663	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408780449	YVQBREQTTMNFTN-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC#N	408821452	HODGNTIXMLKYNP-YVLHZVERSA-N	470.323	3.982	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(C)(=O)=O	408840589	HDFFYUCZSJXANR-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)ccc1OCc1ccccc1	408874758	AGJDJJLFNRQMOJ-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1O	1305228	HOUAAJKURSLCHA-VULFUBBASA-N	474.542	3.651	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(Br)c2)cc(Br)c1O	2742791	HZPONOPZYQNQIU-ZVBGSRNCSA-N	471.149	3.878	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1NS(=O)(=O)c1ccc(F)cc1	9562891	NNFUZRCRXANQJY-UHFFFAOYSA-N	485.581	3.912	50	40	JHGB	
COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC	20123715	WGCYSNZQQDRSOL-SMVBDFJKSA-N	475.545	3.812	50	40	JHGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1	36085636	TYGRRWBFUXRXCI-SGFTWCTISA-N	483.278	3.872	50	40	JHGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(F)cc2)cc(OC)c1OC	59922518	ZPDOKWUTEHVGEG-VULFUBBASA-N	451.454	3.868	50	40	JHGB	
O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)NNC(=O)c1ccccc1	95940489	YALMAYHVOIYUPM-UHFFFAOYSA-N	451.910	3.613	50	40	JHGB	
N#CCC(=O)N/N=C(/CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296301	USIXATNMRSJMNY-CLVVTTMOSA-N	472.545	3.892	50	40	JHGB	
CC/C(C)=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408728822	USCKSAKUPSEOLK-HYARGMPZSA-N	482.946	3.663	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408730096	FIFZYHVBHGFUSS-KKMKTNMSSA-N	472.526	3.819	50	40	JHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1	408732705	XQCKYLOSBKEOCV-SSDVNMTOSA-N	478.494	3.573	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1C	408847606	QQRPCTYUAIQMCY-ATVHPVEESA-N	460.465	3.836	50	40	JHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(C)C)cc1	1529544463	IDFUNKMUUCEQBS-OGCGYOKDSA-N	494.617	3.695	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1C#N	727639	KMCDYUBTRRPHJV-OPEKNORGSA-N	483.322	3.960	50	40	JHGB	
O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br	4175657	WKVHFFTUPXLELD-PDWLFKFUSA-N	451.542	3.772	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NCc1ccccc1	28215524	HBJKPMZUHMTRQQ-CVKSISIWSA-N	466.335	3.908	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-]	409219997	XECAMXACAASSRJ-MSXFZWOLSA-N	469.837	3.946	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1	1099746	ILWGLFCTVHRUSH-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C)c(Cl)c2)cc1	20207123	AZEDGHKJDMCCTQ-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(=O)(=O)c1ccccc1	20214383	ZOPBZOBVPPXVBT-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1	408833920	XAKSGWCUFRLKCU-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	409070730	LXDFFMUAZSZURE-XMHGGMMESA-N	492.509	3.795	50	40	JHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2128691	OUSQIRTYEYYEHZ-LJQANCHMSA-N	457.280	3.969	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	9113437	XVTWXSQLOHLZOW-GOTSBHOMSA-N	453.477	3.888	50	40	JHGB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccccc1	9159964	JOMVZLHSSDFMKH-XDJHFCHBSA-N	452.470	3.719	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19949817	RDNCYSSDPUTLDX-NCELDCMTSA-N	480.546	3.915	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20209358	PFFXHVXEBFBYGE-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
O=C(N[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33388011	HXTQGFHDPALTHP-OJAWRPIQSA-N	494.338	3.851	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Br)cc1	408609068	JHCNXWBHKUUCAN-GMJSKMFWSA-N	476.371	3.792	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCc1ccc(Cl)c(Cl)c1	408609194	JQAPQAYCHIGIRW-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OC(C)=O	408755441	NSTWOTFLOBEFAK-AWQFTUOYSA-N	472.666	3.642	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OCC#N)cc2Br)cc1	408817272	LBHXBHOBOZURFD-SXGWCWSVSA-N	456.296	3.592	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc12	408878679	AHKRTPARHFCHTN-MFKUBSTISA-N	492.513	3.924	50	40	JHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)O)cc1	408888090	WSNAORQDQNRPGB-SFQUDFHCSA-N	493.453	3.606	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(C)cc1	1251042	QNIOQDGAALTHRY-ZMOGYAJESA-N	469.567	3.542	50	40	JHGB	
N#CCC(=O)N/N=C(\CCN1CCCC1)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841710	USIXATNMRSJMNY-KKSLMDIGSA-N	472.545	3.892	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	58911871	BQEMBZYNZZVCQT-VULFUBBASA-N	483.366	3.632	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	58926107	GAVHDGNIYFEEMZ-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59921472	WBMFHVFTEONSPO-LPYMAVHISA-N	484.803	3.654	50	40	JHGB	
O=C(N/N=C1/CC(=O)c2ccccc21)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	103458435	XPJARKJHYYAFLI-GFMRDNFCSA-N	498.358	3.970	50	40	JHGB	
COc1ccc(SCC(=O)N/N=C\c2cc(Br)c(I)o2)cc1	408955076	VWOBTDTXDOZHGK-IDUWFGFVSA-N	495.136	3.898	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)ccc1O	409115229	KSDZTDGINGHDHR-WGOQTCKBSA-N	481.574	3.829	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1	409152038	JGWSXWAZJRNTSW-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl	409253370	FUGXLFXZTNXDOL-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OS(=O)(=O)c1ccc(C)cc1	2659079	ILQMITSJNYIKJE-LFIBNONCSA-N	455.517	3.774	50	40	JHGB	
O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cncc(Br)c1	3153866	RUQDUIOGXOPKFL-BLLMUTORSA-N	477.938	3.839	50	40	JHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1	12898563	TUMIYRZDFJBERD-UHFFFAOYSA-N	450.925	3.698	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C	14019332	JMQQVYDSLNKPIQ-BKQORJHRSA-N	480.590	3.898	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)CNc2cccc(C)c2)c1O	15930465	ZRZBWBNNTKEIET-WNFQYIGGSA-N	471.149	3.796	50	40	JHGB	
COc1ccc(OC)c([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	19852041	DVWYJSIXLWHGSU-UKILVPOCSA-N	495.539	3.766	50	40	JHGB	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(NNC(=S)N[C@H]2CCCC[C@H]2C)cc1	35587225	LXTBFSMZVZUETA-GIYDNNGJSA-N	476.716	3.744	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)Nc1ccc(F)cc1	58881128	MUDJBPQWSUVGCX-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408612005	TVXNOLWSFXEYLF-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NCc1ccccc1	408748165	ZKODDJGFVLWBTE-AWNIVKPZSA-N	483.103	3.983	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(I)c1O	408962343	HPHFTOGXIJHJCP-ODCIPOBUSA-N	464.181	3.788	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973690	OVNIIMKXGGJABR-MWMRXLLSSA-N	473.554	3.996	50	40	JHGB	
Cc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc1Br	409087849	HYWCLDGCYXOIKW-CNHKJKLMSA-N	457.078	3.898	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409162015	BZMCAKLUYGDZSD-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1	409258331	WJBWTTAFTSQXAA-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)NNC(=O)Cc1ccccc1	917155	OCZSFRMPXFKALY-UHFFFAOYSA-N	492.004	3.994	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N3C2)c(OC)c1	2346288	YLLLUOOYAYWNBV-KRWDZBQOSA-N	467.547	3.940	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br	8931943	QMMBJXKEKUAMCV-UHFFFAOYSA-N	468.735	3.599	50	40	JHGB	
Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2sc(-c3ccccc3)cc2N)C(C)C)cc1	9502680	BKDQEFRCGFTVGV-FQEVSTJZSA-N	450.564	3.521	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20061071	BOLZXDOZJDJBCS-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20213916	NSOPLQJURORLJC-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)c([N+](=O)[O-])c1	100502525	VVNZXBSRQUAWJW-UHFFFAOYSA-N	490.365	3.714	50	40	JHGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1Cl	105250104	LMZWDCKBXNZIFK-PZYGRSISSA-N	487.221	3.627	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OCC	408805863	HZNHEOCQCRDWLS-LIOBOASVSA-N	453.333	3.611	50	40	JHGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	408906554	HFNULUUSFCAXEH-RTMGKINMSA-N	478.574	3.634	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1	409171028	YODWPGHDLCYBJN-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1	409266402	YLIFYYNRYZVZAL-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1	10476089	SLJZOJLZWDNSKE-RGVLZGJSSA-N	483.103	3.830	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19951714	ARRINLFNXSAJCQ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1C	20208704	NMBBPGGSBQFZFD-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1OC	21966701	ZYXNWPLASAGKKW-QGZVFWFLSA-N	473.595	3.704	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C\c2c[nH]c3ccccc23)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	29763273	DWIBABBXSRBGGR-BQJFAHSJSA-N	486.450	3.701	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	58853203	HBKIUZXOGFBLCR-GTPWMTBTSA-N	486.569	3.547	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408763051	HAQKPCYRMIHGMF-MFKUBSTISA-N	462.462	3.775	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1	408773216	HKMVCARAXMIDIP-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC(=O)O	408791304	VVIMZDVPIJANQX-NTUHNPAUSA-N	461.268	3.562	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)OC	408792100	HVKPZDOQPGJVEH-VGOFMYFVSA-N	459.842	3.744	50	40	JHGB	
COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OS(=O)(=O)c1ccc(C)cc1	408883893	VEFMAJMLAXQHSF-AFUMVMLFSA-N	488.949	3.954	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl	409027797	RQMWWQHXZGFEQR-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409131711	YTAWOCFSHKPXCJ-GOSISDBHSA-N	491.329	3.595	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	409144321	FGHRUNLHHKNAMV-YZSQISJMSA-N	481.574	3.991	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(C)c(I)c2)cc1Br	1280983	URKHUFCQGVHYLY-UHFFFAOYSA-N	473.108	3.745	50	40	JHGB	
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	2410851	KQVSGRCLFMIYTF-CKNGIZQFSA-N	458.518	3.560	50	40	JHGB	
O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	9949987	KIXQVKIMGIFRQX-UHFFFAOYSA-N	490.523	3.983	50	40	JHGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1	12757638	BIEXSUGGSZCOCK-MRXNPFEDSA-N	469.538	3.619	50	40	JHGB	
Cn1c(CNc2ccc(Br)cc2)nnc1SCC(=O)NN=C1CCCCC1	13882177	WENQIOFCBIKRNZ-UHFFFAOYSA-N	451.394	3.718	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926231	JJLWLRDFAUOACF-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1OC	21966705	ZYXNWPLASAGKKW-KRWDZBQOSA-N	473.595	3.704	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1	59120150	HGJTXIKNJVBEBT-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
N#CCC(=O)N/N=C(/CCN1CCCC1)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296295	USIXATNMRSJMNY-DCVRHQNFSA-N	472.545	3.892	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1c(Cl)cccc1Cl	408610544	OAASKHFKFKAGFL-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409227022	XDLVZSWKVZALSC-QXXZEVIWSA-N	490.428	3.894	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc(C)c1	850100	LGJVIFDRXYCLKT-DEOSSOPVSA-N	459.502	3.836	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2OC)nnc1-c1ccccc1	2326846	WDSZYGAWHKRGBN-WSDLNYQXSA-N	474.384	3.979	50	40	JHGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766231	NWJYUQVBXQJMKW-MJGOQNOKSA-N	494.598	3.513	50	40	JHGB	
Cc1cccc(OCC(=O)N[C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	8461755	DHKFLACBAOPGMB-GDQCRLHRSA-N	464.478	3.505	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1	408771279	FGAAOPZSCGHHDD-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	408775875	VZVHCMPBZASGPN-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCC(=O)O	408802751	GVUKHGDCLCBMNU-ZTNIANCHSA-N	465.344	3.913	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1	408908654	XJOSHWXXTANKSA-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1	409064418	PKMDVNUFOVMREV-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409174151	LOSPSTWFAHGHFN-IPBVOBEMSA-N	498.889	3.599	50	40	JHGB	
O=C(NNc1ccc(Sc2nnnn2-c2ccccc2)o1)c1cccc(Br)c1	2229727	KKUJHFHTAKXWIT-UHFFFAOYSA-N	457.313	3.926	50	40	JHGB	
O=C(Cc1coc2ccc3ccccc3c12)NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	9612538	LYGXHRCVIIUTHS-UHFFFAOYSA-N	494.529	3.965	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccc([N+](=O)[O-])cc1	13749720	IZEXFGZJTOQWNC-CIAFOILYSA-N	489.355	3.785	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20212862	XNEOBOHTXRCMLU-FSJBWODESA-N	490.925	3.733	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OC(C)C	108056133	DGNDBWDFAZMLGW-NHDPSOOVSA-N	497.289	3.688	50	40	JHGB	
CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)COc1nc(C)c(Br)c(COC)c1C#N	408601835	LMJTZCVYCSMHIO-WGLQYDGWSA-N	489.370	3.877	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(F)cc1	408659938	KIIVEMBPXJMREY-SEXKYXSUSA-N	493.318	3.735	50	40	JHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc(Br)c(N2CCCC2)o1	408850318	LFXUWNRWWSLXGV-JMIUGGIZSA-N	471.149	3.934	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1OC	408907203	MKRUIOPUIHSZAL-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)O	408948319	FMKGDCPDMJRGKE-PXNMLYILSA-N	498.333	3.668	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	409024291	JIDOEPIMHRQOPC-WYZSWBMLSA-N	497.573	3.888	50	40	JHGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261295	CNJNMZCFOOYWHB-OKYTWDAHSA-N	454.246	3.971	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1	409261690	AIJNTPIYWRGTJK-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	2077342	BSHFJMJSPMPPSX-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1	16037100	ZEKPDEJQUMXFFE-NPWMTOLESA-N	490.604	3.799	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NCCc1ccccc1	28215548	LEAVLHQKKVYACG-JFLMPSFJSA-N	480.908	3.750	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(OC)c2)cc1	408794229	IJZVVHAACUMNRV-OQLLNIDSSA-N	470.279	3.692	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc([N+](=O)[O-])o1	408878124	WQIXPVLBDYRFJV-KPSZGOFPSA-N	472.266	3.699	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408922004	NVCSSTJHMNTZJD-WZGTUUFSSA-N	451.548	3.570	50	40	JHGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)s2)cc1	825504	MJJYTNKVYVOEPT-LSHDLFTRSA-N	464.334	3.799	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)o1	1862467	IWPLXVWBQIHVED-YDZHTSKRSA-N	462.491	3.986	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccn3C)n2-c2ccccc2)cc1OC	9046893	WFWQPZQCDGXCLE-MYYYXRDXSA-N	476.562	3.532	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1	16321177	OYBFNBVLVXKBEW-FSJBWODESA-N	470.279	3.984	50	40	JHGB	
COc1cc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2ccc(O)c(OC)c2)ccc1O	97466228	ISNGCHRIWJBWQD-HJTNQMAYSA-N	498.580	3.836	50	40	JHGB	
CC1=C(/C(C)=N\NC(=O)c2ccccc2O)C(C)C(/C(C)=N/NC(=O)c2ccccc2O)=C(C)N1	104286181	LJUGNDOZJHLHOI-GQGQITAGSA-N	475.549	3.797	50	40	JHGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1sc2c(c1C#N)CCCC2	209660955	VPGNBPHQHODHCA-WJDWOHSUSA-N	463.519	3.789	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408825023	CLJGBZZAWUXIJV-LGUFXXKBSA-N	479.558	3.502	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1OC	408864616	YIUVXKPKAAHYIH-PCLIKHOPSA-N	499.614	3.771	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1	409185666	OIMLJEDVAKJYDD-OVVQPSECSA-N	493.585	3.601	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1	409313913	JJJPBSDUOKAMEL-QGZVFWFLSA-N	471.966	3.745	50	40	JHGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccn1	1473985	VSBIKLPLOZCOMV-VULFUBBASA-N	475.599	3.963	50	40	JHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	2078379	JNOMJNGRXPCDAY-ZVHZXABRSA-N	483.502	3.752	50	40	JHGB	
O=C(NNC(=S)Nc1ccc(SC(F)F)cc1)[C@H]1CCCN1C(=O)c1cccs1	2621355	OMWFBEQLQASRQS-CYBMUJFWSA-N	456.565	3.685	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc(Br)c1O	8781356	OUQBXOVQJGXTGS-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)CSc1ccc(Cl)cc1	8921165	YYXLXVNRJKNVDE-UHFFFAOYSA-N	453.951	3.677	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19948288	DQNGMFIZNLLVKH-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccc(C)cc2)cc1	19956521	VCUWBCQOSMWUIR-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NCCCn1ccnc1	26966433	QEEALLQZTKAABU-XSFVSMFZSA-N	467.489	3.757	50	40	JHGB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2	95471527	WVOVIDLNJCAAMK-UNOMPAQXSA-N	457.372	3.893	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408610909	OYGDPBNJBNQSFB-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(Cl)c(C(F)(F)F)c1	408769601	WNCVQJSNBIRBTN-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1C(=O)O	408889527	DRSXPNUSVKEBHD-DTQAZKPQSA-N	493.453	3.606	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)OCc1ccccc1	408990549	NZLAPFFPBICWJB-GJDHUYHKSA-N	497.555	3.977	50	40	JHGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)cc(OC)c1OC	409218870	LQNVUVNKVPABGZ-WGARJPEWSA-N	493.472	3.912	50	40	JHGB	
CCOc1cc(OCC)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409228074	TUDGMFMPKKGDRD-UFFVCSGVSA-N	467.389	3.896	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1	409327285	RXPSSLHSWCIAEW-MOPGFXCFSA-N	487.375	3.999	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(C)cc1Cl	409351953	XZPUVCBIJDWAGR-RMKNXTFCSA-N	450.738	3.954	50	40	JHGB	
Cc1cc(Br)cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O	3144886	ZNTANWSFPHKMPM-MZJWZYIUSA-N	480.362	3.862	50	40	JHGB	
COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1	20219016	PFKGKXPDZUTGDI-DHLKQENFSA-N	451.530	3.629	50	40	JHGB	
CCCCN1C(=O)/C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	102977885	LXSVKFGDHKNANM-DARPEHSRSA-N	482.587	3.830	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(Cl)ccc1Oc1ccccc1	103517305	SDKCIMBBLBHMQW-NNIWKIFQSA-N	497.960	3.824	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1	408778183	QHVHXHFUCPXXJF-PCLIKHOPSA-N	480.546	3.811	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	408795405	VHEWLFOFXUNNDN-OVCLIPMQSA-N	458.854	3.534	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)cc1	409002369	UCTGYHAEDTWDHJ-JFLMPSFJSA-N	471.517	3.741	50	40	JHGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409224399	JYEDFTXXSPMTBG-QFEZKATASA-N	477.429	3.512	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c(C)c1	409258515	UJUNYTVPVKYBFY-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	409271745	MOIFPNVBESLSLE-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1	409327288	RXPSSLHSWCIAEW-RBUKOAKNSA-N	487.375	3.999	50	40	JHGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)c1[N+](=O)[O-]	855741	QHODBSGTFTXUIL-AFUMVMLFSA-N	463.446	3.725	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1	9311037	KJCLGWIHCDIGRL-PRWBYUBPSA-N	451.479	3.775	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	19950087	CEJJMTVGNKRJDC-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1	58880940	MXOUAVAZXQSIMZ-LQKURTRISA-N	488.544	3.925	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408659997	KMQLJKHOXPSJMB-SEXKYXSUSA-N	489.355	3.905	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	408863819	QIHQYOSVKIDJPO-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc4c(c3)OCO4)C(C)C)o2)cccc1[N+](=O)[O-]	409173695	QIUYBMRQUKXDDH-ZGCZVDSBSA-N	492.488	3.797	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(N)=O)c1	409255866	LNJCPKYAHVUESR-AWNIVKPZSA-N	493.155	3.930	50	40	JHGB	
O=C(COc1ccccc1-c1cnoc1)N/N=C/c1coc2ccc(Br)cc2c1=O	688116	UTMAGMLERZZXCR-LIMNOBDPSA-N	468.263	3.740	50	40	JHGB	
O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NNC(=O)c1ccc(F)cc1	9415232	DYQGFZGNXNIMIQ-UHFFFAOYSA-N	450.344	3.723	50	40	JHGB	
CCCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1833597	OPNSQROIYSQIMR-NFBKMPQASA-N	475.549	3.756	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1C	408858765	PIZPVWIBRVSYFP-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1C	408588624	JEBZJYAHYYRCLY-AFUMVMLFSA-N	464.478	3.952	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)C2CCCCC2)c(C)c1	33777867	YUGTZAWJCNHICE-MYYYXRDXSA-N	486.594	3.994	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1Br	1435369	IZHGMSOCJODJRN-RNRKLAHPSA-N	481.302	3.958	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C/c1c(C)c(Br)c(O)c(Br)c1O	14920467	GJNRPBCTEIDIQQ-IFRROFPPSA-N	472.133	3.769	50	40	JHGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)N=C(N)N)cc3)n2)cc1	20150239	OYLGLNBWWDLMRW-QGOAFFKASA-N	480.619	3.947	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCc1ccccc1	1784051	OQTZKUVJOUNCIN-KKMKTNMSSA-N	476.558	3.813	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1O	8781345	FNGCWASOHOCHOV-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(Cn5cccn5)c4)CC(=O)N32)cc1	12275598	YFYBQPXXVZOXKJ-HFZDXXHNSA-N	488.569	3.592	50	40	JHGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1)C(=O)O	59248533	CCBHPMDQRCKXJH-BERGCFNWSA-N	486.116	3.533	50	40	JHGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	408602098	AIUXZAUAHPWMNS-OAQYLSRUSA-N	462.531	3.832	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1	408768001	BDETZDFEYJBJPE-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2C)cc1	408769392	STBMVRWIJDOVGJ-YUMHPJSZSA-N	462.550	3.866	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408894948	SKLKQSQJBBHFQO-WYMPLXKRSA-N	494.404	3.712	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967737	UFUXGUHRHKEQIZ-MSXFZWOLSA-N	499.643	3.594	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I	409210257	FUTFAVUJPGBAFW-ZSOIEALJSA-N	464.215	3.815	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nc2ccccc21	1475129	ACMZZCAAFKBLSH-UFFVCSGVSA-N	463.357	3.775	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccc([N+](=O)[O-])cc1	2636750	NVCOJEJKVJMAIH-XDJHFCHBSA-N	465.487	3.940	50	40	JHGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1	2694779	UEHIOOSKALOWAE-NRFANRHFSA-N	463.515	3.867	50	40	JHGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	8763312	RUKYMMWOEVAVDK-HKWRFOASSA-N	499.614	3.624	50	40	JHGB	
O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	9140797	ZFQUMLLMSBGSSG-SLEBQGDGSA-N	489.940	3.929	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1	9374456	BIVFOURJDIXXBP-XZOQPEGZSA-N	477.586	3.597	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1Br	16248240	JCJKFDMJZVRGSU-ZMOGYAJESA-N	486.391	3.617	50	40	JHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C	58915230	WAJGTSBBOGKGTI-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1	58915256	BJLQJNJUCHJCEF-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)O	107808400	FFZHTERIPYWERX-ACAGNQJTSA-N	480.214	3.736	50	40	JHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408844264	CVSPHFIKVXRQKZ-GDHOOVEZSA-N	494.511	3.698	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC	1784241	IZUPKWOBEJKVMG-LGJNPRDNSA-N	462.531	3.683	50	40	JHGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(OC)c1	3316250	VMCGGCYBMHFSEW-ZRDIBKRKSA-N	462.531	3.887	50	40	JHGB	
COc1cc(C(=O)NNC(=O)CNc2ccccc2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	9379097	OVTZHQMZPYEIAP-UHFFFAOYSA-N	470.869	3.922	50	40	JHGB	
CC(=O)Nc1cccc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c1	9423058	KZTACGZJSRSQOR-HAHDFKILSA-N	453.502	3.874	50	40	JHGB	
CCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O	9849952	BLZOGJDZIYHHNX-LZYBPNLTSA-N	486.091	3.632	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	15231216	DMVXBZURCNNUFE-CMPFEXHJSA-N	486.569	3.547	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19948895	ZDMWXBWBYRAHTA-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	28213612	NYLIGVBGNNEMAF-CVKSISIWSA-N	469.607	3.906	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1OC	408606182	PAOFYFUWUCHEHH-OAQYLSRUSA-N	462.531	3.789	50	40	JHGB	
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)CSn2nnnc2-c2ccccc2)o1	408732645	TVCJHUILBWDYPC-FSJBWODESA-N	477.506	3.772	50	40	JHGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408973114	ZADOJNARNDQIRJ-MTDXEUNCSA-N	495.576	3.956	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(C)cc2)cc1	409224718	MCHHDBMSELPWRA-QFEZKATASA-N	460.446	3.845	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OC	409309610	JRFIIMVQKXDYRC-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc2c(cc1Br)OCO2	409366684	UVWQJPAREIEICV-IFRROFPPSA-N	455.106	3.503	50	40	JHGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1249161	QNYSMEQJZUKAOT-KRUMMXJUSA-N	495.366	3.719	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1cccs1	6089273	AWPCLNCUMYCSEU-IBGZPJMESA-N	464.572	3.921	50	40	JHGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1	8856227	MZSCSFLPFSNSDV-WYMPLXKRSA-N	465.735	3.870	50	40	JHGB	
COc1cc(I)ccc1C(=O)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1	9261860	DGYSOVQAOGXGCV-WSDLNYQXSA-N	489.269	3.553	50	40	JHGB	
COc1ccc(CCN2C(=O)CS/C2=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	12468877	ZGLJDYRVQJUNQA-RWEWTDSWSA-N	455.580	3.820	50	40	JHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	13898365	FPXZGLBGEWKDJB-LSHDLFTRSA-N	456.252	3.932	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	14802120	BHFLADVVEWUQGQ-UHFFFAOYSA-N	468.561	3.914	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1OC	19948756	GFIFXBNMJHZNPK-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247177	CWJODNLIRPWGMY-NGCBVDFASA-N	459.527	3.953	50	40	JHGB	
CN(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1	33683964	GAMNFAXUWANETJ-FMCGGJTJSA-N	450.347	3.917	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	58913680	XUGKCBKJRKIQTL-JFLMPSFJSA-N	460.534	3.976	50	40	JHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc(OC)c1OC	59416315	ISDISDQESLEBCJ-VULFUBBASA-N	451.454	3.868	50	40	JHGB	
BrC[C@@]12O[C@@H]3CC[C@@H]4[C@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CBr)([C@@H]3[C@H]52)[C@H]41	104294927	DXXPAKJRQFPFNI-DQJUHBMASA-N	456.218	3.855	50	40	JHGB	
O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408732438	RKDGRUQGCDBZPY-SSDVNMTOSA-N	483.897	3.808	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc2C)cc1	408768220	CYEVTNWPQUMPRF-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1	408969765	UEQDMNCWWZXOMS-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409270269	OMSVBJPYJSBQNI-MUFRIFMGSA-N	492.963	3.686	50	40	JHGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	778306	JNVXXBDMAPQLST-QGOAFFKASA-N	451.479	3.598	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1)c1cccc(Br)c1	1435335	OLDMBEPZSRCYJY-LHXREVONSA-N	481.302	3.958	50	40	JHGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(F)c2)cc(OC)c1OC	9846735	LKMRPZDKMYQGMD-VULFUBBASA-N	452.438	3.835	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	13208692	HGMOKUVCQDEFSD-LPYMAVHISA-N	474.336	3.719	50	40	JHGB	
O=C(NNc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F	16490234	IHGHKEFPUCUTSO-UHFFFAOYSA-N	472.395	3.819	50	40	JHGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O	20213425	ZZKMNZFGSXUNCS-ODCIPOBUSA-N	453.895	3.645	50	40	JHGB	
O=C(CCCC(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])N/N=C\c1cc(Cl)ccc1[N+](=O)[O-]	31670083	OSMCYAOWCFFTCX-KRPUJQTQSA-N	495.279	3.581	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1	58912584	OXKQIEFWSVBDKG-OGLMXYFKSA-N	493.995	3.555	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)cc1	59401657	QQVZHYHOZJDKNJ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1	103134073	OCTLSRUESGTHPN-VKAVYKQESA-N	454.939	3.699	50	40	JHGB	
C/C(=N/NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1O	408721606	JVWGYFSFDNSQKK-PLRJNAJWSA-N	451.548	3.745	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408756203	YBVWXUNLXACUBI-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408771699	BEGXHLNGOCSUBH-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O	408831007	UHSRPKMKZWLWDZ-CVKSISIWSA-N	470.570	3.712	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(C)c1	408981161	UZKGXZDSZDCYNR-OTZYPNAKSA-N	465.575	3.872	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409025679	YGFAZPLVCBIDER-FOKLQQMPSA-N	472.394	3.945	50	40	JHGB	
CCOc1ccccc1/C=N\NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c(C#N)c1C	409060508	WVJFBRSSBKZTJO-QDTIIGTASA-N	469.423	3.594	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(N(C)C)cc1	1001406	FRZPBARHAULIOA-PMFZIYJTSA-N	463.611	3.773	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1	9233180	SSPICQXKSBMMOW-QFEZKATASA-N	473.514	3.845	50	40	JHGB	
C=CCn1c(SCC(=O)NNC(=O)c2cccs2)nnc1C12CC3CC(CC(C3)C1)C2	14945350	UXDQQZCDTCNWPL-UHFFFAOYSA-N	457.625	3.547	50	40	JHGB	
C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NNC(=O)OC(C)(C)C	17398756	ZOPOYVBHJGPJML-GFCCVEGCSA-N	460.581	3.829	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	20207301	SVNFXCMKFNWGHM-YZSQISJMSA-N	481.574	3.581	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1	408842529	PXOIFLWYRBMLNY-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2Cl)cc1	409063091	GTJKRFGHGAMINC-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OC	409321258	SHYXMADVYSCGQR-MSXFZWOLSA-N	462.886	3.539	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC	409324672	UJWCLTHLYSKWRZ-QQXSKIMKSA-N	498.557	3.943	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1	847143	QJDHQJHSGFADLB-DEOSSOPVSA-N	475.501	3.536	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3200543	PQOJMMZLNBTFFI-FSJBWODESA-N	457.895	3.633	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1-c1ccccc1Cl	9109633	WDKZNHXJUKITAJ-LIMNOBDPSA-N	477.699	3.624	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C	9129399	VYZWTYGBCNVQJP-LDADJPATSA-N	459.462	3.795	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1cc(Cl)cc(Cl)c1	9233012	DOLPQHKILDZTBR-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccs1	9355276	VAETUGFAYFDRBV-FSJBWODESA-N	469.475	3.722	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C	19949424	VOINWOXHNUMMED-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19950092	AMIGMASUHNORHW-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
O=C(/C=C1\SC(=O)N(CC(=O)NNc2nc3ccccc3s2)C1=O)Nc1ccc(Cl)cc1	28295041	DQBVIQSVFXHTIH-DHDCSXOGSA-N	487.950	3.611	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccccc1Cl	59960074	AMWFTVCJDCBAQK-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br	408746557	FDSARTBWYYOLFJ-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(C)c1	408981159	UZKGXZDSZDCYNR-MSIOFZDNSA-N	465.575	3.872	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1	409067694	YXKXHAIXLYQGMB-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409123577	CXIHDFSFDQAISF-RBUKOAKNSA-N	473.913	3.589	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1Cl)Nc1ccccc1	409254763	FLOILJGABCIBQY-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2Cl)cc1	409272335	YEOIKSONOBJCIJ-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9635818	IZAOHYYPPGWWAY-GGAORHGYSA-N	453.477	3.888	50	40	JHGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C(=O)NCc1ccccc1)oc1ccccc12	12285291	CFVVZLRGBMCJJV-MUFRIFMGSA-N	472.501	3.732	50	40	JHGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)NNC(=O)c1ccccc1	408643563	BTKFQNSNNLUJLC-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)N(c1ccccc1)S(C)(=O)=O	408922514	BNPWBOURVLBUIZ-HLNOYYKJSA-N	451.548	3.570	50	40	JHGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c1	409105246	KEFUHTXEYDCWRY-DJKKODMXSA-N	488.123	3.589	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1	409265846	WEYCAVZISJYJQU-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccncc1	827864	FOHIXBXZDZXZEF-FBCYGCLPSA-N	491.965	3.898	50	40	JHGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl	2234662	DMZXTTWAPAHZOB-WPNIOXTASA-N	478.936	3.959	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1	3242699	FVCMOVCNIVFRDK-AWNIVKPZSA-N	468.678	3.924	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccccc1	4118817	YZCYZDDMFBKEGB-RQZCQDPDSA-N	494.349	3.744	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C3/N=C(N)c4ccccc43)nnc2-c2ccccc2)cc1	12656171	AAWDQNPIXNTRIC-UHFFFAOYSA-N	467.558	3.532	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)o1	34851703	IHKCMHOZOIIZCA-MYKKPKGFSA-N	458.854	3.748	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	58918349	BEBZWHIQJWDTAX-DHRITJCHSA-N	463.893	3.964	50	40	JHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O	59419195	JWQMVJLHTKQIEC-FBCYGCLPSA-N	462.525	3.969	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408648791	KGFKIDCWMGFKRW-RDTXWAMCSA-N	478.860	3.519	50	40	JHGB	
O=C(O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Br	408749417	OHPNRKGAAAGMBA-DNTJNYDQSA-N	480.365	3.765	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OS(=O)(=O)c1ccc(C)cc1	408888844	BSKXUKXNNAICHZ-MFKUBSTISA-N	468.531	3.852	50	40	JHGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	409061497	DKONKCNVESARNY-RPPGKUMJSA-N	495.363	3.869	50	40	JHGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	409169252	PAMJQNVMGUCDQU-CCVNUDIWSA-N	497.935	3.896	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1	409170216	UEYIFSNYMHKCRK-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1I	668290	KVETXKXYMCOTQF-UHFFFAOYSA-N	456.283	3.884	50	40	JHGB	
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1c[nH]c2ccccc12	1960435	SSIVIZGOTNFCRI-FSJBWODESA-N	474.302	3.950	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)ccc1O	6190697	TUJILHVAWBJCEA-GLYRRZRCSA-N	459.546	3.824	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20207596	JLZVAVFEWVQABE-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	20210928	MLVGHOLBIHMFDO-AFUMVMLFSA-N	471.501	3.801	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1Br	31858972	WMQIWBJHXHEDQZ-OBSVYCRBSA-N	489.395	3.819	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1O	408805313	GCZAANZFEOWMIS-MBLSOGTRSA-N	454.308	3.997	50	40	JHGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]	408811510	LOXGABCPTCTQHW-WDZFZDKYSA-N	467.194	3.893	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	409026155	HNIUTWFVMJFSJF-JVWAILMASA-N	493.585	3.883	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OC(C)C	409247553	IFIUPHNYARZGHJ-JJFYIABZSA-N	470.282	3.919	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	409257459	PBMBDSWUCNHADU-STBIYBPSSA-N	472.545	3.594	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1	409264614	LLEIKRNPPXYUIT-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1	2888738	YLTYFOIWFKIEID-MDWZMJQESA-N	476.279	3.774	50	40	JHGB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2)c1	9316164	FSZBRVNCJCLKAV-UHFFFAOYSA-N	469.950	3.796	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	9908331	KNNNENKGDNXCQR-NMFBSFOHSA-N	475.480	3.721	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1	17086131	ZVBTVKRHLSTQIB-YDZHTSKRSA-N	460.895	3.586	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	20215195	YLUJZBNSGDYJHU-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc1	59498630	UHFCPIJNFGZDIP-BUVRLJJBSA-N	450.568	3.638	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1	408938101	KRNQFWHZGQOYIG-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccco1	1437577	PSUDOORUPODVNK-YRJNPLERSA-N	471.263	3.551	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(OC)c1	13551609	PYPMYUXPOLGIFI-YDZHTSKRSA-N	459.959	3.785	50	40	JHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	15231272	IUELVXBHUGDVDV-BHGWPJFGSA-N	479.405	3.586	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(OC)c1	15945929	HJMHCQNPSFQLRK-BGMKMGARSA-N	452.338	3.915	50	40	JHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)COc1ccc(Br)cc1	16136900	BPPOWCDJZLKFOR-DHRITJCHSA-N	462.388	3.651	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OC)c(OCC)c2)cc1	20763925	SLELGWJZUMDTLO-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
CCCCCCc1cc2cc(C(N)=O)/c(=N\NC(=O)c3ccc([N+](=O)[O-])cc3)oc2cc1O	31550231	RPIDCSJTKKHVDJ-WNAAXNPUSA-N	452.467	3.514	50	40	JHGB	
Cc1ccc(OCC(=O)NN=C2CCC(=NNC(=O)COc3ccc(C)c(C)c3)CC2)cc1C	59942135	DQCLLXGBNCSGQK-UHFFFAOYSA-N	464.566	3.896	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	100145388	RYQZQTPYOPTEQD-KURKYZTESA-N	470.348	3.540	50	40	JHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	408728338	JVAKRABIHZOCKQ-SSDVNMTOSA-N	450.363	3.788	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)=O)c(OC)c2)cc1	408759960	OXOMXLIBPDQCHA-RIYZIHGNSA-N	492.269	3.779	50	40	JHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I	408788587	DSQKDBVHZXOUBR-NTEUORMPSA-N	473.226	3.757	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408873580	SIAMNHXSCXPYNO-YZSQISJMSA-N	499.976	3.847	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br	408879786	FMSMAZHFMABBLT-WUXMJOGZSA-N	462.256	3.929	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1Br	409363545	WLZWUNZBRRLXDV-VOTSOKGWSA-N	451.136	3.989	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	8984955	HSKWVUOFXRFEKB-GHRIWEEISA-N	493.361	3.808	50	40	JHGB	
C/C(=N\NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1	9390515	DNVLZJQBCXLQAR-LEBHPONQSA-N	465.522	3.538	50	40	JHGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(Br)cc1	11690301	CZKYXMKVNCSRQR-DTBMRADHSA-N	472.364	3.630	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250331	ACYJLHOQISOCEC-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	20214467	GETIGXMNBZUOOW-HZHRSRAPSA-N	484.559	3.662	50	40	JHGB	
Cc1csc([C@H]2C(=O)NC(SCC(=O)NC(=O)NCc3ccccc3)=C(C#N)C23CCCC3)n1	21468942	AVULDWXKLDMYKU-LJQANCHMSA-N	495.630	3.720	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2cc(Br)ccc2O)nnc1-c1ccc(C)cc1	30742633	GHDXPRFKAMVPKL-JJFYIABZSA-N	474.384	3.984	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1C#N	59334353	QQHJBMKBVZPMHY-IUXPMGMMSA-N	487.297	3.746	50	40	JHGB	
CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1	409010147	JTTDZEQSSMNKPV-DNTJNYDQSA-N	470.117	3.959	50	40	JHGB	
CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccccc4)c(=O)c(C#N)c3C)cc2c1	409058599	TWCGKISDDMLPGZ-MWLSYYOVSA-N	480.528	3.773	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1	409161201	ZFPDDBPDOLJLAK-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2cc(C)ccc2C)c(OC)c1	3281666	OPYXAMIUZJFVRP-CVKSISIWSA-N	498.557	3.617	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)cc1	9450917	KXRRCXAXUIWPMV-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	13959345	PLDUHJHYTCPVQD-DOTOQJQBSA-N	472.402	3.769	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1	108995946	FTYSJJACIYIXFO-MYYYXRDXSA-N	463.446	3.985	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCC(=O)O	408748406	DBGHWRKGBPPFFX-ZMOGYAJESA-N	486.322	3.866	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC	408787019	PQYVNNLZZPPSLR-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCC(=O)O	408799691	HMISUVMNNRFBLN-VUMOSAOLSA-N	451.317	3.523	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC(=O)OC	408819416	RYONHXYGZJBOQE-MFOYZWKCSA-N	458.898	3.522	50	40	JHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1C	2433635	UUWDGBMNIGOPEH-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccc(O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	108118799	FHIHXUHBEISUGT-DICXZTSXSA-N	479.602	3.967	50	40	JHGB	
Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)c1	138769160	SWLRWNMDHXEVBV-UHFFFAOYSA-N	489.528	3.901	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408967539	UAANQGBNXDPILX-UYRXBGFRSA-N	464.547	3.686	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	408970814	KQTIJWQDEOODEI-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1	409000190	XMPQZLPNBZDFPO-JFLMPSFJSA-N	452.942	3.913	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409269918	BBJMEGXWSGPASI-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(N(CCCl)CCCl)c1)[C@@H](O)c1ccccc1	6089435	MPAQGQNPHJFAHN-SFTDATJTSA-N	467.393	3.674	50	40	JHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)ccc1OC	12275142	ITHUCAZKNFSZQM-NSYGIPOTSA-N	482.558	3.754	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)N1CCCCC1	13130611	TUJMHYCVNMFOMH-UHFFFAOYSA-N	481.593	3.849	50	40	JHGB	
O=P(O)(O)c1ccccc1OCc1ccccc1P(=O)(c1ccccc1)c1ccccc1	29748450	VEUUOOWBWUZRBN-UHFFFAOYSA-N	464.394	3.708	50	40	JHGB	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F	68842500	GSMHHRLHBHFHFS-UHFFFAOYSA-N	499.902	3.742	50	40	JHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	100191423	BAAZSMIPAUWWAB-CIAFOILYSA-N	451.351	3.967	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1	408662017	MSTJFJIVXZTXGI-ZRNYENFQSA-N	489.355	3.905	50	40	JHGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	408664044	IULCPYGIJHPVHE-RFWXGWTQSA-N	480.561	3.922	50	40	JHGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3Cl)o2)c1	409161096	WJYQTFSLZATWCV-XODNFHPESA-N	497.935	3.811	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC	409314167	FGYJVZOBKLLCNG-DICXZTSXSA-N	477.517	3.802	50	40	JHGB	
CC(=O)[C@H]1C(=O)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2[nH]c1=O	794669	QLVUUVHGXFTOAA-YADHBBJMSA-N	460.921	3.828	50	40	JHGB	
O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)NNC(=O)Cc1ccccc1	882784	CGFFBGSAJOPGEA-UHFFFAOYSA-N	463.607	3.856	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC3=C2C(=O)CCC3)ccc1O	2216003	CTWBMAHKNDAPQX-LJQANCHMSA-N	468.560	3.658	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OC	12555874	CFKGQBOAQVYXPE-KPKJPENVSA-N	479.230	3.762	50	40	JHGB	
CN(CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	16187070	CVBNPENOUDBIBE-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	408680840	HBUSEEVNUZZQLB-OFVYUEIASA-N	463.553	3.920	50	40	JHGB	
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408685700	PZOSGMZWGQHKDC-SLQSZJTJSA-N	453.745	3.973	50	40	JHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)NCc1ccccc1	408760653	CLTKGUCXOBDIKK-CPNJWEJPSA-N	463.471	3.586	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCC(=O)O	408799689	HMISUVMNNRFBLN-OHNYQXTQSA-N	451.317	3.523	50	40	JHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1OC	408814824	HVCRCHGQDBTRHJ-GHXNOFRVSA-N	452.223	3.993	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC	408831738	VEJUPNXPTMFNKI-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409154463	AYRPSKVNZRELLZ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)cc(Br)c1O	1100943	APEOJPDMZAGVPZ-LSFURLLWSA-N	479.128	3.995	50	40	JHGB	
O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	9467076	SXJQMXVMTMNVHH-UHFFFAOYSA-N	468.737	3.996	50	40	JHGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1	12489976	OPEIGINPFAYYAA-CQSZACIVSA-N	456.593	3.586	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1	20212813	TXDLCNOVCZCYGE-OEAKJJBVSA-N	451.976	3.744	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	33379354	RGPKIOGFTPDJAQ-ACAGNQJTSA-N	493.697	3.898	50	40	JHGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408608582	HTCJIAMOAKVAQP-CCVFCUKESA-N	484.767	3.971	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	408881344	KYCABNOORHPOHE-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409013354	UREMOIPYNRKYNE-MFKUBSTISA-N	471.579	3.889	50	40	JHGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)c1	409218130	CXQLDZHZDLXSJC-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1cccc(F)c1	409230045	AYPACEOIQFZYEH-AUWJEWJLSA-N	462.275	3.668	50	40	JHGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)/N=C(/N)O)cc3)n2)cc1	2205276	BMLVQCXJXVUBMP-FOWTUZBSSA-N	453.549	3.910	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)cc1OC	12275264	CMVZPWDRXZRPHW-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
Cc1c(C(=O)NNS(=O)(=O)c2cc(Br)ccc2Br)oc2ccccc12	12979416	XAVWYWNRJYAFBJ-UHFFFAOYSA-N	488.157	3.890	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1O	20060173	IVHYZHODBUBONV-AFUMVMLFSA-N	487.965	3.784	50	40	JHGB	
CCCC/C(C)=N\NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59516157	UCOQMODHLYMSGN-PLRJNAJWSA-N	475.611	3.620	50	40	JHGB	
CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95676733	WLYCBZYDJYDOPF-UHFFFAOYSA-N	462.378	3.771	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(O)c(Br)c2)ccc1I	408747744	SIBAMVIFCABMQW-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408768779	JFJXCXQLOCXXTA-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1	408780505	ZYBSGNQOGHTWAS-LGUFXXKBSA-N	465.575	3.993	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	409155228	QCZTXOLHPJRHDY-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1OCC	409223718	IDSXKYSTOMRFCP-UHFFFAOYSA-N	477.517	3.820	50	40	JHGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)c1	9282359	GFIUKVKERJJBJH-MRXNPFEDSA-N	469.295	3.780	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1C	58880878	PAEJHBNKWHIWTO-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC(=O)OCC(=O)[C@@]1(O)[C@H](Cl)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922968	ZJDJNJPERVGYNY-MAEUBKMUSA-N	467.002	3.962	50	40	JHGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@@H](Br)[C@]2(O)C(C)=O)C1	118924454	DHFXZXVWFURDJS-ZTAOTPELSA-N	469.416	3.833	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	408758753	QJWHRSPLHYGFEC-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	408762066	MRSGGAHFSFWEED-WGLQLPMYSA-N	497.573	3.797	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408827806	GZNQKQVTMBYLAT-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)sc2ncnc(N)c12	408973704	PKMMNTSMHXOSEI-IPBDZQFASA-N	485.161	3.576	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccc(F)cc2)cc1	409058641	UKQYDGHCBLTXAG-JVWAILMASA-N	482.581	3.541	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2Cl)cc1	409072718	RZEUONMZXWMFDL-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1	409247901	DTVPKAUOOAJTQT-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	778290	SXEVMRRUBNYPHS-SDNWHVSQSA-N	472.320	3.902	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)c(Br)c1	1444587	KWWUEOYCSOFEBL-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1O	4150704	BMWCNJVZKJMFAV-SSDVNMTOSA-N	458.268	3.918	50	40	JHGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	9546091	KCMWZNOTFMJHKQ-UHFFFAOYSA-N	475.979	3.694	50	40	JHGB	
CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1	12898430	CHJUVKTUEUPQBS-UHFFFAOYSA-N	471.985	3.965	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	58900631	FUTQHXUFOPCYHX-FSJBWODESA-N	454.280	3.877	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332879	JOCSYNPDAMGNJA-UTGGRMKISA-N	487.593	3.877	50	40	JHGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	100391682	UQXRIUJKXFJZEE-WVDRODKKSA-N	497.338	3.783	50	40	JHGB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21	408605190	KWEPEOKFLHPEBV-MRXNPFEDSA-N	463.357	3.794	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408784228	UTJXSWHVKAMCJH-LGJNPRDNSA-N	473.316	3.534	50	40	JHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)NC1CCCCC1	408826930	LTVJAMOXWPLWJI-QINSGFPZSA-N	492.395	3.876	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1	409123842	FCJMVTLHVOCMCM-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)c1	409184803	NSBKTKJFNNSTJZ-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC	1784601	OZJSBTQWWAMEAO-KBKYJPHKSA-N	462.531	3.601	50	40	JHGB	
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCC2	2413108	FIMBICGEAWFWNI-LSFURLLWSA-N	454.335	3.809	50	40	JHGB	
N#CC(C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1)=C1Nc2ccccc2N1	3200473	SLGYFXJKEGMZOP-UHFFFAOYSA-N	465.362	3.610	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	13959347	PLDUHJHYTCPVQD-NVXWUHKLSA-N	472.402	3.769	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1	19948169	SYEJUBNNOHBSPV-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC(C)=O	408757643	BEWIBZXZMIGDDT-AWQFTUOYSA-N	470.117	3.909	50	40	JHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OS(=O)(=O)c1ccccc1	408880347	JLEHHGIUFWCOQE-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408924177	LVBRGDWLRZUSMJ-XMHGGMMESA-N	491.525	3.967	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408924564	JYQWSCXUQUHJKD-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12	408993779	FQNFTOGZXXCONG-YSMPRRRNSA-N	482.378	3.964	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C	409017886	GHYIHNPFKSUWNS-NTFVMDSBSA-N	491.544	3.949	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1	409262187	DCQBANJPNNZRBE-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1	1425007	RTKBASWKJNHKHH-MTDXEUNCSA-N	470.481	3.894	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC	1474100	YVCUJPFOVMNWHF-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	3115576	XVRRUIMFAOLWEU-UVHMKAGCSA-N	453.857	3.578	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1F	9086413	CHDSUBSQSICVMB-LJQANCHMSA-N	450.495	3.818	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12	9381744	FOFCISPAVDISAH-UHFFFAOYSA-N	494.598	3.809	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc12	9381749	GUXJCLHTHOUZSD-CQSZACIVSA-N	460.581	3.625	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)NC1CCCC1	15228985	KKHLPHPHFJQBOM-WZUFQYTHSA-N	472.133	3.641	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	16157503	KBSISOVIQMWMBU-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccccc2C)cc1	408608111	GLPYMWIIURTXLU-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1O	408726543	UBEKPYRXNKUMRP-GHXNOFRVSA-N	450.232	3.647	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408789595	KLALSLPQEJFORL-RKPWUKJMSA-N	473.451	3.925	50	40	JHGB	
C#CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	409125177	MSZMQSYLZPSJAK-LJQANCHMSA-N	488.281	3.626	50	40	JHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)ccc1Cl	409366438	VAHLNQVISUMASE-DHRITJCHSA-N	454.866	3.851	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(Br)c1O	717453	CQYQABPTXGOLRY-KRWDZBQOSA-N	497.305	3.890	50	40	JHGB	
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21	2203115	KEJIGMGKFINBNA-IBGZPJMESA-N	468.307	3.787	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	2375039	AHFPXOAMIVAYBQ-VRVUXBDFSA-N	454.246	3.971	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19947987	NAOMQYNSQRBFGB-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1	20073644	RVPNSMCXRWDOJC-XDHOZWIPSA-N	469.304	3.973	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1	96580842	LUNBIZKYDLMBSQ-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCOC(=O)/C(C#N)=C(O)\C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(NC(C)=O)cc1	104240740	AXGLAAUTYJNZDN-LCBRAKEGSA-N	453.882	3.968	50	40	JHGB	
N#CCOc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408909623	HQSAJYKEJTXCGB-WGOQTCKBSA-N	464.319	3.738	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OC	408981972	WXCSBASUMQQTAI-MORQCWLFSA-N	495.601	3.962	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1C	409017615	VIJAVFOKYVPIHP-WGARJPEWSA-N	476.489	3.758	50	40	JHGB	
COc1ccc(F)c([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	1259799	RQMIJFNCXIQFAM-UPVQGACJSA-N	483.503	3.896	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(-n4ccnc4)cc3)c2)cc1	8671275	UAUNINAKZZRXOT-OVVQPSECSA-N	489.557	3.836	50	40	JHGB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(Cl)c1	8820392	HCEJJPZYWHOTOB-BJXWFGTRSA-N	457.964	3.559	50	40	JHGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1	8825153	GPHKNYMWDXFHRY-MZJWZYIUSA-N	451.454	3.624	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl	12689820	JFOVOMMGAVONKH-UHFFFAOYSA-N	463.346	3.616	50	40	JHGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)n1	12972085	ANBANCCIVJFTLK-UHFFFAOYSA-N	451.577	3.863	50	40	JHGB	
C/C(=N/NC(=O)CSc1nnc([C@H](C)Nc2ccccc2C)n1C)c1ccc([N+](=O)[O-])cc1	13882182	QQTVIBUPDUKTCR-PHQOBFFQSA-N	467.555	3.837	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19949063	USWXPESPQBHPKZ-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1O	20247130	YTKXHEGQIZVRIF-MDQJKVKYSA-N	461.543	3.939	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc([N+](=O)[O-])ccc1O	83327008	IITUVRSWWDBCHG-UKWGHVSLSA-N	475.211	3.995	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	408784544	UMLOSNIRNJRZHB-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408789593	KLALSLPQEJFORL-KDHISYJLSA-N	473.451	3.925	50	40	JHGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408829242	FERTXWYLLNSFFR-ACAGNQJTSA-N	463.321	3.520	50	40	JHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)c(N2CCCC2)o1	408847416	VGPKSNXUAMZMNH-KEBDBYFISA-N	471.149	3.934	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409153267	HKEUJKHHGHRESO-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1)Nc1ccc(F)cc1	409170379	USXDAJZTOKIVFH-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccccc1I	409231332	BXZLEWIABAORGP-UCQKPKSFSA-N	493.345	3.819	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	9261750	QWTKWHLFZLKQBI-KPKJPENVSA-N	479.230	3.849	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	9263592	UUYOJVYTZAMQCY-AWNIVKPZSA-N	472.295	3.959	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2cn[nH]c2-c2ccccc2)nnc1-c1ccc(Br)cc1	9459466	NCZPMMPMGFPNHE-FOKLQQMPSA-N	496.394	3.877	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cc1	9516634	SWFNFCKVYAJNBH-UHFFFAOYSA-N	488.363	3.633	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC	9885457	DMIRNGGFEKMGSR-LLVKDONJSA-N	471.735	3.738	50	40	JHGB	
CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1=O	21875989	CTLXCPYJJUVPFT-UHFFFAOYSA-N	488.997	3.504	50	40	JHGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NC[C@@H]1CCCO1	32109623	OEDIZJFELFTGQU-CYEGBWLXSA-N	485.334	3.928	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59427917	HBIKEQWBXWETBC-YZSQISJMSA-N	465.575	3.735	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCC(=O)Nc1ccccc1	108285743	BYNKPCPFPYCPBO-UNOMPAQXSA-N	471.469	3.957	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408859233	NIKGPAWNONXIOJ-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409265420	IGEPCLSNZGQDLB-VYYCAZPPSA-N	471.542	4.182	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1	409337480	UIINXYAKXYQFDQ-RSFOSLOZSA-N	462.300	3.505	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1	8603478	FEWHFELWTYKHHA-GZTJUZNOSA-N	473.514	3.593	50	40	JHGB	
O=C(C[C@](O)(c1ccccc1)C(F)(F)F)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	12554456	FDSOTAGFHQLRFN-DEOSSOPVSA-N	480.446	3.898	50	40	JHGB	
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1	18097731	XFXBFLXIZVLIJJ-HXUWFJFHSA-N	456.329	3.796	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(Cl)ccc2C)cc1	20206962	BFXDPTAPULIFOR-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
O=c1nc(O)c([N+](=O)[O-])c([C@@H](Br)[C@@H](Br)c2ccc(Br)cc2)[nH]1	101459365	PLDFICKODQPQPR-YUMQZZPRSA-N	497.925	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	107824765	OSMHLFKQWVDXDR-ZMOGYAJESA-N	480.433	3.863	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1	408608394	PKBCDTPDNOHXTC-SFHVURJKSA-N	479.508	3.918	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OCC	408805865	HZNHEOCQCRDWLS-MGMWDDNKSA-N	453.333	3.611	50	40	JHGB	
CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408831537	ZTLXAHXHPKKXPQ-AQTBWJFISA-N	469.950	3.977	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1-n1cccc1	408897418	SAFWHQZGJWLIRZ-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1OS(=O)(=O)c1ccccc1	408955186	OEUNTADUYUTCHC-KOEQRZSOSA-N	467.547	3.683	50	40	JHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408994650	IIGZJVQFVVACSP-LPYMAVHISA-N	457.512	3.877	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)c1	409151665	CSVOTRSQHWSAFC-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	409194770	QYWSYQVRBYIOCW-UFFVCSGVSA-N	486.693	3.650	50	40	JHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC	409243857	VIPSTJLDGLJUEF-SSDVNMTOSA-N	477.384	3.509	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OCC	409323031	MFNMYCCATCZQII-FMCGGJTJSA-N	477.311	3.640	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nc(C)c(Br)c1C	1107279	YFHVMLTUAGOUIA-SFHVURJKSA-N	469.343	3.569	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1cccc(Cl)c1	58880983	COPKEMREKODCID-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1C=C[C@@H]3[C@H]3[C@H](Br)[C@H](Br)[C@@H]31)C2	104291232	QLKUDAZHTILURQ-SHQKFYTBSA-N	499.247	3.637	50	40	JHGB	
O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1	408648699	YLQLYVJRMITIEJ-UHFFFAOYSA-N	467.909	3.606	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OCc1ccccc1	408764677	VCGZRFZEJFTALJ-WOJGMQOQSA-N	457.324	3.802	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(I)c1O	408779299	UTTAGNVTDHMWID-WNFQYIGGSA-N	464.181	3.788	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br	408972796	VNOSRJLGCDIDQC-KTCKORJGSA-N	490.398	3.826	50	40	JHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc(Cl)c1Cl)OCc1ccccc1	408989839	MHAXTVNFNGWIAB-FVIBMMNASA-N	460.321	3.704	50	40	JHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1	409000330	XUCROFNGFAZQBS-SRZZPIQSSA-N	457.240	3.967	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1	409261757	DHILQUYIMFYNAD-BRIUQDKPSA-N	473.529	3.786	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1	3102430	KVDZFTJWIKTZTH-VULFUBBASA-N	481.436	3.881	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3OC)c2C)c1	3306412	LNUFJTFHLIJVCB-YZSQISJMSA-N	482.606	3.897	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)ccc1OC	6093549	WGEZUUCAYFBXIO-HYARGMPZSA-N	459.549	3.720	50	40	JHGB	
N#CC(C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1)=C1Nc2ccccc2N1	9883992	IADJPJNNRITZIB-UHFFFAOYSA-N	470.580	3.760	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cc(N/C=C2/C(=O)OC(=O)c3ccccc32)ccc1C	103481854	DOOCSMGOTPIOLS-XMHGGMMESA-N	464.499	3.954	50	40	JHGB	
COc1ccc(OC)c(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	408655414	RTMDLQVECXUEGG-QRWLVFNGSA-N	463.889	3.619	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br	408779114	RLELESJARQDHQQ-XGICHPGQSA-N	474.149	3.585	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccccc1	408888106	SNIYOWUZKRPYJF-ZVHZXABRSA-N	474.922	3.645	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1	409130113	LVHVZMXTNGIHPD-LEWJYISDSA-N	463.559	3.722	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(Cl)c2)cc1	409143296	LNZVTWOCFAREIB-LPYMAVHISA-N	463.968	3.756	50	40	JHGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(C)n1	2742674	GPSHRZBCFCWCTD-WYMPLXKRSA-N	455.975	3.675	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1OC	19948173	ASZHAVRFFKIJMK-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(NC(=S)NNC(=O)c2cc(Br)c(O)c(Br)c2)cc1	59144881	NOKQWXCFGGGHNI-UHFFFAOYSA-N	475.162	3.557	50	40	JHGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Oc2ccccc2)cc1	408683863	MJPVCBGXXPTJCZ-VJQWSGFBSA-N	486.318	3.532	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)ccc1OCc1ccc([N+](=O)[O-])cc1	409086579	RBNIXHFSPFHEOT-FSJBWODESA-N	466.406	3.560	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1	409155947	JJWICUHXFCVMID-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	409271014	JGZZXXWPSUQPBR-MTDXEUNCSA-N	488.544	3.972	50	40	JHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)c3ccc4c(c3)OCO4)C(C)C)o2)cc1[N+](=O)[O-]	2057394	PMMVOOLOKHQDNM-ZGCZVDSBSA-N	492.488	3.797	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	8843041	JGHMLBYGBLLCGW-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
O=C(Cn1c(=O)cnc2ccccc21)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	15497851	TXZRCFWBKSNMFS-UHFFFAOYSA-N	478.508	3.590	50	40	JHGB	
CN(C1=NS(=O)(=O)c2ccccc21)N(C(=O)c1ccccc1)C(=O)c1ccccc1Br	16186647	ZHSJAWJYBSBCAE-UHFFFAOYSA-N	498.358	3.728	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	19953117	IYLFFRGSFCNOEH-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21)OCC	105017522	LVZMGITWEYFTQO-JKVKVHMBSA-N	475.545	3.959	50	40	JHGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	408776199	NFMIXTYSNRFGPM-ATVHPVEESA-N	456.340	3.722	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cc(C)ccc2C)cc1	408861694	UWPJUZNUZNAEFM-JVWAILMASA-N	493.585	3.729	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)c1	409156741	GWOTWXRBKSWGRS-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409250741	RXQWBTBJJLFJJA-RMORIDSASA-N	471.710	3.876	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OC	409316640	LSOKSRWQHJTWAQ-UUYOSTAYSA-N	496.301	3.646	50	40	JHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	2057396	GFMOOXKWORKVPD-JXHYGPBUSA-N	492.488	3.797	50	40	JHGB	
O=C(N/N=C1/C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21)c1cccs1	2303818	OBMNRPKUTIRSCA-RELWKKBWSA-N	461.385	3.825	50	40	JHGB	
O=C(COc1ccccc1C(=O)NNC(=O)c1cccs1)Nc1ccc(Br)cc1	13134817	RAYFSIIKZDSVQM-UHFFFAOYSA-N	474.336	3.603	50	40	JHGB	
O=C(N[C@H](CSCc1ccccc1)C(=O)NN=C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	14923204	KDRAJQAEVNNWSF-OAQYLSRUSA-N	499.549	3.971	50	40	JHGB	
COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	21123540	VLUISLUQAKKTPF-UHFFFAOYSA-N	479.371	3.974	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	33709777	LNSHYQJVMWQMBI-CYVLTUHYSA-N	450.336	3.717	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c1	58915267	CGBDQTWKQLBZFS-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
N#C/C(=C/c1ccc(-c2cccc(-n3cnnn3)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	96306192	RXICFDUJPZPYBN-PTNGSMBKSA-N	485.529	3.507	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)c([N+](=O)[O-])c1	408894086	IUOLSAVNLZUMFX-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(C)c2C)cc1	409023142	ONHVFOJNFJRWNP-VULFUBBASA-N	479.558	3.686	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2cccc(C)c2)cc1	409066821	WWWKQKZSKZVCEU-WPWMEQJKSA-N	478.618	3.711	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1	409153889	NXAKGGFBNROQAM-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nc3ccccc3c2=O)cc1	1478358	OSVRVEARPGNEHF-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
Nc1ccc(C(=O)N/N=C/c2ccc(N(CCBr)CCBr)cc2)cc1	1631239	JRITUUNWUSLMOC-LPYMAVHISA-N	468.193	3.629	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	1888679	CHTGGYKRDLGUFE-XUMLYMLNSA-N	460.328	3.760	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br	2134294	UGKBOLZFVIHKPW-UHFFFAOYSA-N	489.153	3.944	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1	2324697	XCAOZCIANIBJEK-KRWDZBQOSA-N	467.547	3.940	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\C(O)=Nc3c(C)cc(C)cc32)c1	4529278	QRQOKQPOWSNZSE-UHFFFAOYSA-N	478.530	3.849	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccccc1O	9113231	LRWYEADPFAQYSY-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NCc1ccco1	14166339	UBPYCWIVLPOTKD-WYMPLXKRSA-N	456.296	3.501	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	25260354	BBRLXYISDAJBFU-UHFFFAOYSA-N	463.821	3.829	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C\c1c[nH]c2ccccc12	29763276	DWIBABBXSRBGGR-YBSQKRRTSA-N	486.450	3.701	50	40	JHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1OC	408780532	CYNIODDYLBMUEP-ATVHPVEESA-N	456.340	3.722	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(Br)cc1	408796776	PXASDCRBLTVIFG-GUOCTKQSSA-N	484.350	3.669	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1	408956249	QBWXJZVLDDEZQC-KOEQRZSOSA-N	452.532	3.854	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409065217	FCWCDSSGRRPIRR-JVWAILMASA-N	490.520	3.617	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1C	409154405	AGPVNRWCPXTXLM-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)ccc1I	727806	LWFNEYUCLWHILJ-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(Br)c1	9059244	HCTNLLYHAAXXMG-RKPWUKJMSA-N	484.350	3.669	50	40	JHGB	
COc1cc(Br)c(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC	12606407	JZJMQSBBMHSDSU-SFQUDFHCSA-N	496.365	3.948	50	40	JHGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)cc1	100539748	ODDDSEGRTUEPNP-RHIYVLOFSA-N	477.978	3.731	50	40	JHGB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br	408606241	PIKOAAHJUAXBDI-MRXNPFEDSA-N	463.357	3.794	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OCc1c(Cl)cccc1Cl	408610537	NVUZKZSKQPFOHZ-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1OC	2310999	BGUHVZJHFVQCNC-RTWAWAEBSA-N	481.530	3.654	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O	2401397	OALCBOFFBCZYKE-SAPNQHFASA-N	466.925	3.898	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	3413128	URGOGHDWQNZVFF-CVKSISIWSA-N	482.558	3.917	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(O)c([N+](=O)[O-])c1	12418084	ZFEFZUNZZXETGD-WYMPLXKRSA-N	468.853	3.979	50	40	JHGB	
CSc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2=O)cc1	25220272	ZXACSYVTVYMBIC-KRWDZBQOSA-N	497.580	3.833	50	40	JHGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	59960091	GSWKOEDDLFOGSM-VSWHYLHOSA-N	478.936	3.685	50	40	JHGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCC(=O)Nc1ccccc1C	408612855	YZMKKRADLUPFOT-LJQANCHMSA-N	488.544	3.517	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1	408873643	UJPXOVGGDPWOJI-RDRPBHBLSA-N	487.604	3.518	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc(C(=O)O)cc1	408968272	XSGABPSHFNKBNV-BRJLIKDPSA-N	480.546	3.622	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408980205	PUBCXUDYDRCRSM-PSQINSSGSA-N	465.575	3.954	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1	409165390	XPSUPZOOYZWVNN-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1O	711757	RCPBZSCBKSIOSP-ZVHZXABRSA-N	455.308	3.550	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2cccnc2)cc1	1479556	HSGZCIJVEJGBMD-CVKSISIWSA-N	474.546	3.676	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c(C)o1	13134696	SNHBZMHHJDUTMO-UHFFFAOYSA-N	465.890	3.565	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccc(F)cc1	20171801	PKDAWHOUIYQCOC-GIAQSNRWSA-N	457.509	3.886	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1Cl	20209310	CKTJKWWPPDUCSW-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
COc1cc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc(OC)c1OC	20348324	PCGAYGNDZUUYQV-GOSISDBHSA-N	451.548	3.927	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC	33929332	NBRXOAQNZFXPCU-WKTMJKCCSA-N	475.545	3.653	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1	408863358	MBNQMJSEGZALRO-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)c2ccccc2)cc1	408882879	OMFYNGVFIYYYOI-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2OC)cc1	408923466	IPXQJVOWPMJLQR-ZVHZXABRSA-N	474.922	3.889	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	409009822	IKZFRBBKSYVDDQ-AFUMVMLFSA-N	494.529	3.863	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccccc2OC)cc1	409026573	SHPMKSAKDNRLCM-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409027440	CIPJPDQIXODOKR-LPYMAVHISA-N	458.367	3.699	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc(C(=O)O)c1	409249051	JBYMAVLWBKVDEZ-BRJLIKDPSA-N	480.546	3.622	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC	1438763	UTOOIWLQRVPENM-VGOFMYFVSA-N	492.269	3.942	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC	1783703	JLKVZCATEAWWRZ-PBEVGHANSA-N	468.579	3.846	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1C	3081657	VMMUPJFNAJQKDH-CMNXJCJSSA-N	486.572	3.978	50	40	JHGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(Cl)cc2)cs1	9375628	HDBAOXJLIARLJP-JLHYYAGUSA-N	458.956	3.612	50	40	JHGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1	13778917	XFSLOXQRUMOGDX-XDJHFCHBSA-N	476.533	3.642	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc2c(c1)OCO2	33594521	WTYOOOAJTYSGND-LGJNPRDNSA-N	461.474	3.725	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	59425720	GFWOAGMFQLKMDH-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	107548812	WVUYJLKMPSKWGV-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(N)=O	408580720	RGGGWGBBBZOMPE-LZYBPNLTSA-N	462.287	3.927	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)c1	408828401	MGJHLCVCBKFRKP-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409169072	PLRLFGNJKXIINV-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	409257016	OSCCCPIBKPITBG-OKCVXOCRSA-N	490.535	3.733	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1C	2085081	UZPJFQCOSXCWSC-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)cc1	2438488	WYAHTKHFOQYSFW-SFHVURJKSA-N	467.547	3.940	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1	6250945	BEHIHXYQSHOUHU-LFVJCYFKSA-N	453.520	3.659	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(C)ccc2O)cc1OC	12446987	QUXQGHNRUFKPMX-NOGIOGCUSA-N	459.502	3.639	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C3C)o2)cc1	32654873	HLXNHYJLLWTZMP-KGENOOAVSA-N	476.485	3.669	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	408783027	MERHEIQLXPKANH-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C	409165449	YJFBZVYCGRWWRK-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2CC)cc1	409170481	VWUOSLPDEKOZHO-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	663587	NDWFNHUCYOBVEN-NRFANRHFSA-N	476.533	3.998	50	40	JHGB	
O=C(COCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1	1726727	ZMAULOBMOIYUOK-ZPNKGADNSA-N	476.147	3.917	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	2085212	SQKFYXKPPGUOED-AUEPDCJTSA-N	479.933	3.997	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1Br	8812784	HEOUSCXTDQGDPN-QGMBQPNBSA-N	457.078	3.892	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cc(C)sc3C)nnn2-c2nonc2N)cc1	9290782	ZXFSPNDZXZVEQQ-ZMOGYAJESA-N	480.554	3.521	50	40	JHGB	
O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NNC(=O)c1ccccc1Br	12869941	ZGLZYRQBVLBUDM-UHFFFAOYSA-N	450.239	3.776	50	40	JHGB	
N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	13174496	IJTPJNVKJWUFQL-DEOSSOPVSA-N	473.554	3.894	50	40	JHGB	
CCOc1cc(/C=C/C(=O)NNC(N)=S)cc(Br)c1OCc1ccccc1Cl	62715613	OWDZCAKRSPGNOY-BQYQJAHWSA-N	484.803	3.958	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1OCC(=O)Nc1ccccc1C	408606798	BBJJBDIBHYFEEH-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	408942916	RZCKWQPRVXWJCO-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(I)o1	408955470	XJAHJIOHUAKLQN-REZTVBANSA-N	463.069	3.728	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC	408981704	WDXDIMKHMHKBEW-WTFDWONZSA-N	483.565	3.820	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccncc2)nnc1-c1ccco1	409191752	MEDHNZXTQNSDMS-YDZHTSKRSA-N	463.479	3.776	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1	409255809	IXCRENXPGOEZBR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	1056139	WKIFEVYQHSOLJP-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)cc1	2709990	PYRWPVJELABVDE-DEOSSOPVSA-N	473.529	3.643	50	40	JHGB	
CCc1[nH]c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C)c1C(=O)OC	15632311	JIYSCIGCFGAHDJ-UHFFFAOYSA-N	456.326	3.599	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2	20231934	WDMQRZODDLIDQC-OVVQPSECSA-N	497.548	3.641	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1	20755296	FOEZUESUBBBSCD-LFVJCYFKSA-N	453.520	3.659	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccs1	23410667	HBOYPACPQDEAGI-FYJGNVAPSA-N	484.441	3.984	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)CC1	58912606	ZEKBWLQUSWHXET-RDRPBHBLSA-N	487.604	3.518	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br	408754916	LUAWRMDMKJDCKT-QGMBQPNBSA-N	457.078	3.892	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	409026425	OLVAXNWRLUENJJ-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1C	409255598	MHVUEOSZFCQDSD-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(C(C)(C)C)cc1	1474050	YRPPECXTGRDXBE-ZMOGYAJESA-N	453.568	3.916	50	40	JHGB	
O=C(CBr)Nc1ccc(Br)cc1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2290924	NIWMFKGDKDEQSG-UHFFFAOYSA-N	487.060	3.830	50	40	JHGB	
O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)NNC(=O)c1ccccc1	9468860	MFQWTWBKUZMFJR-UHFFFAOYSA-N	456.424	3.831	50	40	JHGB	
COc1cccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1OC	36235461	GJZASIPJQLZDLS-JRNOYVSJSA-N	472.545	3.691	50	40	JHGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3o2)c2ccccc21	38159663	JDSBOSQRQRXFII-QYQHSDTDSA-N	465.579	3.867	50	40	JHGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(I)cc1	106824785	AUMUDEBEIIOEPP-YDZHTSKRSA-N	469.282	3.945	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(Cl)c(Cl)c1	408610457	UINZYQLICQMGII-LGJNPRDNSA-N	482.364	3.574	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl	408730297	FNDOXRHGAGBBQG-DHRITJCHSA-N	466.365	3.753	50	40	JHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1	408732321	UMEFHUJWMOXROS-UDWIEESQSA-N	452.378	3.902	50	40	JHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1C	408861571	SSDFSPPSJIFRJB-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccccc1F)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027796	HMYIHTCDQGPTOX-GZPJKGAFSA-N	455.511	3.923	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2)cc1OC	409109810	LWLVTVBQZOCVQL-UHFFFAOYSA-N	459.568	3.726	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409152021	IQOWADZSFFJPPC-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409219497	NENLUQKBIIJSCU-UHFFFAOYSA-N	468.853	3.584	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409407759	HJADLSVYIMBAEV-BKOMJCAWSA-N	495.875	3.617	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)ccc1OCC(N)=O	622788	MGCGMGBPAUDFPM-QHCPKHFHSA-N	481.512	3.711	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccc(Br)cc1	1433456	KRARDTQYPNEEJK-PGLVWIQMSA-N	453.292	3.852	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1	2241705	JBSZWJIQPUYPQU-SFQUDFHCSA-N	459.980	3.701	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	13024283	FHCJURNBOLHJEQ-UHFFFAOYSA-N	494.356	3.634	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	20060220	CIGMMPIGBFOOON-AFUMVMLFSA-N	485.949	3.768	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	27519481	ZAQDZRQHJKITPU-BHGWPJFGSA-N	456.842	3.973	50	40	JHGB	
N#C/C(=C\c1cc(Br)cc(I)c1O)C(=O)NCc1ccco1	408735523	UHBRRDOCQQSJFC-ONNFQVAWSA-N	473.064	3.576	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	408780816	LHRCADURWZRTOH-UHFFFAOYSA-N	459.568	3.644	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408787355	YMBLUOOHQNLMTN-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408978826	KNAORRUSIGYONP-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	409004569	XOWRHSKHSKZFCT-VOWJQMTESA-N	495.539	3.563	50	40	JHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)cc(I)c1O	409101072	PIKJWJRXSKAWEC-LSCVHKIXSA-N	490.095	3.924	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409205610	RMBWVIQHNYTGBF-QFVBLGFASA-N	468.557	3.823	50	40	JHGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1	409219198	NXECJPBZBUWFIQ-CFRMEGHHSA-N	464.434	3.765	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O	2425954	BLEUVALZDSFUOR-DTQAZKPQSA-N	452.898	3.508	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(I)c1O	3085615	BHVOBTYWKUVOHH-IFRROFPPSA-N	495.100	3.841	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	9262002	MJTKHWOIJWXCQI-DHRITJCHSA-N	468.307	3.547	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1C	20059239	IKDYWPHMVBSAMY-MFKUBSTISA-N	480.546	3.942	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20499711	LGHQBAACBSPKEL-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(C(=C=N)C#N)N[C@@]2(O)C2CC2)cc1	334157680	BQBFBDKQCOAIEK-GMKZXUHWSA-N	475.370	3.548	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408790699	QZHHPHULHNIKGV-RIYZIHGNSA-N	456.252	3.924	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	408905880	AMXIHANXFLNOOM-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1	409169995	RTHNCKZAMQLLOH-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(COc1ccc(Cl)cc1I)N/N=C/c1cc(Cl)ccc1O	910194	RLRIESBSDIGVME-FBCYGCLPSA-N	465.074	3.833	50	40	JHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1	2077251	UMKKAWIGVASKDB-MFKUBSTISA-N	468.531	3.852	50	40	JHGB	
Cn1cccc1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	2336250	UMXSBKYAPBAWFF-CNHKJKLMSA-N	493.981	3.842	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2cn[nH]c2-c2ccccc2)nnc1-c1cccc(Br)c1	9086001	MSQRJGXJHIYHPB-FOKLQQMPSA-N	496.394	3.877	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cccc(Br)c1	12893772	JAMUTWUGAMIDBH-UHFFFAOYSA-N	452.355	3.504	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	20061296	HMGPHEQTZHSQNQ-FGAYPWGZSA-N	495.601	3.969	50	40	JHGB	
COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I	408789166	KFZAEMMXOATYPB-LGMDPLHJSA-N	473.314	3.556	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc1	409011032	DIUUVWDNXZSTGT-HGFFDCOOSA-N	489.959	3.609	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1	409165097	SIZGWOUFCULHQZ-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1	409174155	SMWBHSXHGLVQBN-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c1C	409252303	RQMGADYDGZMUJP-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1Cl)Nc1ccccc1	409273159	WAHZLSIZMMCQSO-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1	841875	NHFSHHSQRJEXGR-SFHVURJKSA-N	452.532	3.909	50	40	JHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)cc1	27339891	YBQMEJUIEYDWQJ-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	33772072	UJXNRAJSKROSAM-DNTJNYDQSA-N	478.280	3.799	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	59101481	DOAYZEPWVNTGFQ-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408690113	ZRPSYQDYWZJOAO-JNYDFHNISA-N	458.308	3.997	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1	408777787	IYYIAHPQVHYCKU-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C	409228509	AWUPBIQPYMGSTB-FOKLQQMPSA-N	468.539	3.660	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC	409315672	JPSYEJVBQRPZHJ-MYYYXRDXSA-N	484.530	3.552	50	40	JHGB	
COc1cc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc(OC)c1OC	1471861	VSNJNPYQVJKMEL-QFIPXVFZSA-N	477.492	3.588	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCC	8812114	MQOZRAOMGMBZCR-SRZZPIQSSA-N	456.255	3.992	50	40	JHGB	
O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	13112380	UOTLWVZPWVSPKP-UHFFFAOYSA-N	467.525	3.539	50	40	JHGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(C(F)(F)F)c1	15903493	HHABVUAWXMNATC-UHFFFAOYSA-N	466.419	3.538	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19950860	UHOWSXJFFJDMLJ-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	20214435	NTXQXJCGFOQQAQ-PCLIKHOPSA-N	496.545	3.728	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC#N)cc3)cc2)S(C)(=O)=O)cc1C	20232604	BQRPXUYDNZLNBN-OGLMXYFKSA-N	490.585	3.936	50	40	JHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3I)cc2)cn1	33338569	GBRNERZCUZVIPI-MSXFZWOLSA-N	485.281	3.978	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	59960184	LMTFLWALNPQWKP-UEYIPHHSSA-N	492.963	3.993	50	40	JHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(I)c2)cc1	408953350	OTUBAHXUCGUTLU-HYARGMPZSA-N	458.303	3.912	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969911	WTULMVPOBKWVFR-MMOHFDRGSA-N	499.995	3.729	50	40	JHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Br	408996880	FJAXQSWQNZIMPO-KEBDBYFISA-N	451.346	3.807	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	409224348	KYXSTMNKUMZDQT-UHFFFAOYSA-N	468.853	3.584	50	40	JHGB	
CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)N2C=C(C#N)C=C[C@@H]21	9233797	QRONPCGXIRMSDP-JHXDXHAQSA-N	483.524	3.773	50	40	JHGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc(OC)c1OC	12275229	LLDYMPFTOLPFGW-OSPHWJPCSA-N	452.532	3.664	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(F)cc1	33535506	LVRFKJCVTOGYAF-WGARJPEWSA-N	480.452	3.914	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408756694	SKHDJKXTCLIGAK-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)ccc1O	408779373	VSIOWBWNOAKOGV-YZSQISJMSA-N	481.574	3.699	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cc(C)ccc2C)cc1	408783297	MFQUYPPNZQSRKO-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccc(C)cc1	408857706	LTMPOJJVYSFGGQ-MTDXEUNCSA-N	490.585	3.805	50	40	JHGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1C#N	409003002	XZVVOSBQPHXUDS-DHRITJCHSA-N	482.566	3.549	50	40	JHGB	
COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409134834	OIIPZFMMODWNTG-UHFFFAOYSA-N	461.430	3.617	50	40	JHGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1	9127946	MXEXHFMFSOLJSZ-UHFFFAOYSA-N	450.466	3.837	50	40	JHGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2	9158253	GALRTFNKBSSLFY-JOCHJYFZSA-N	452.301	3.944	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccccc1F	12250112	WXTPTCOQXUJJDT-FCHUYYIVSA-N	481.549	3.888	50	40	JHGB	
O=C(Cc1c(F)cccc1Cl)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12799111	WXGFUWSNABQPQV-UHFFFAOYSA-N	496.347	3.937	50	40	JHGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	15134387	XNZBDXINLNPGBB-UVHMKAGCSA-N	498.308	3.688	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	20232963	VWAVSXSWRUOAES-YZSQISJMSA-N	464.547	3.624	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	59536759	KXKFYAUJJWKIGR-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OC	59676544	BMUDZTDYMPGNBC-SFQUDFHCSA-N	456.340	3.722	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c1	409159089	MMHBTZQNHKVVFT-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc(Cl)c1Cl	2085210	XRYWHDRLMTUQQQ-ODCIPOBUSA-N	452.722	3.702	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)c(O)c(Br)c1O	3127187	QIBUOAWOHWBHNJ-KPSZGOFPSA-N	478.524	3.805	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	8819824	QJZCJFUNJPUBEE-RGEXLXHISA-N	468.604	3.613	50	40	JHGB	
CCOC(=O)[C@@]1(C#N)[C@@H]2C=CC(C#N)=CN2[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1	9233799	QRONPCGXIRMSDP-CDILPITASA-N	483.524	3.773	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1	13942672	RVLGDPPFSBBPCN-GNUNSRHXSA-N	474.605	3.963	50	40	JHGB	
CN(NC(=O)/C(=C\c1c(O)ccc2ccccc12)NC(=O)c1ccccc1)c1cnnc(O)c1Cl	104302242	HGIHULDGPSXPEJ-CPNJWEJPSA-N	489.919	3.633	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(Br)c2)cc1	408761350	ISXLGKZNZHVSTG-MEGCXXLRSA-N	466.401	3.601	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1	408842447	PABBHXSXCKZTKB-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccc(C)cc1	408875987	IJGJPEKNOMJXLD-ZMOGYAJESA-N	477.355	3.948	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1	409263191	AYQUCMRVLYDLAV-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)CC(=O)N2)cc1	409319304	DGBORCBHYVGNBR-LJQANCHMSA-N	465.531	3.582	50	40	JHGB	
O=C(O)CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	409334567	HFTQAULNKXWUQN-MORQCWLFSA-N	459.502	3.552	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cncc(Br)c2)ccc1OC(=O)c1ccccc1	1435319	DMDKBPWBCKNWGD-BHGWPJFGSA-N	454.280	3.836	50	40	JHGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	2283725	JSORDFSTDZYKIL-JFLMPSFJSA-N	480.362	3.837	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1O	16688776	WIWICRCPACCHEG-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1F	33782232	IYVLHUFSSHMFDR-WGARJPEWSA-N	480.452	3.914	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(OC)cc1	34854272	GNFMKCDXGBLDOH-MYYYXRDXSA-N	463.446	3.985	50	40	JHGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCC(N)=O	408579830	KDKVCBDPXBVLIT-AWNIVKPZSA-N	468.678	3.881	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2Cl)cc1	408863975	RYAJLKMOWRHZJI-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC	408905455	YRUVCYNPDSPIMI-JJFYIABZSA-N	464.316	3.864	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1	408923041	IPMRUEMSKJVSQN-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)C(=O)NC1CCCC1	409189498	HDCPRJRXVIGYDZ-YHYXMXQVSA-N	461.097	3.725	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409265301	RZLXNYGHDVXDFZ-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21	1879002	GPGJEJUNCOOXHD-UHXBXQLZSA-N	474.529	3.521	50	40	JHGB	
CCn1nccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)C(F)(F)F)nn2-c1ccccc1	2790199	JGQKGWCNZUJUNM-AWEZNQCLSA-N	450.371	3.961	50	40	JHGB	
CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCOC)cc2OC)cc1OCC	6163294	GOSUCMBZHNDQHU-VUPRMNMUSA-N	494.544	3.781	50	40	JHGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1	8763022	DHSUMQNREQUFNV-UHFFFAOYSA-N	486.390	3.501	50	40	JHGB	
O=C(N/N=C/c1cccc(I)c1)c1ccc(I)cc1	10118443	UPGWDOWCXVATLU-RQZCQDPDSA-N	476.055	3.660	50	40	JHGB	
COc1ccccc1O[C@H](C)C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1	11915254	OXXPHFAIJILFLQ-OAHLLOKOSA-N	469.929	3.918	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1CSc1ccc(Cl)cc1	13805514	XAXWATLQBRWTDE-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)NNC(=O)c1ccc([N+](=O)[O-])cc1	15280967	NYBJSEUCGNEYKP-UHFFFAOYSA-N	483.506	3.959	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1	19951448	YQUVBTWIMTZEQO-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1OC	20059933	SMAMNXVUPLZGPP-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2cccc(O)c2)c(C)c1	33700042	CYHDJZBYNBWYBU-PKAZHMFMSA-N	479.602	3.701	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1	58919246	JOLHSHMJUAGAHG-KOEQRZSOSA-N	455.511	3.924	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	408746186	CACPHAKYPLABRU-MFKUBSTISA-N	469.335	3.853	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1OC	408776878	ZZCMMXRCRMTADL-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)c1	409130166	KNACXBOUUCYKDW-MFKUBSTISA-N	452.580	3.871	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1	409163255	OKTQSZSYMTTWCD-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(=O)N/N=C/c2ccccc2)n1C	673410	IQQIYKHVRZUCQB-LVCXCXRVSA-N	473.400	3.993	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC	2250832	UBUFWYZKZCFTQU-QHCPKHFHSA-N	488.500	3.543	50	40	JHGB	
COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21	2709976	RKEYAZIQQDKGRO-HXUWFJFHSA-N	479.334	3.589	50	40	JHGB	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1	3644280	AKWXOTWKGBPKJQ-UMSHPIDHSA-N	458.518	3.614	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1	13108064	USGNESPHTIOJSF-ZTKZIYFRSA-N	456.546	3.925	50	40	JHGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(Br)cc21	20418390	JHLBJDWHBBBPND-GFMRDNFCSA-N	455.356	3.682	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	30734412	MFAYWSPNEPIHKC-OWCPPFAOSA-N	485.540	3.593	50	40	JHGB	
CC(C)N(CC(=O)NNC(=O)c1ccccc1)S(=O)(=O)c1ccc(C2CCCCC2)cc1	40153140	XEYQVIJHISXAMR-UHFFFAOYSA-N	457.596	3.595	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3C)cc2)cc1	58880816	IDBDOQKOZHVMIM-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	108952174	ZSSMVEHUJYWDRB-NHDPSOOVSA-N	495.127	3.825	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc1I	149562988	QUFMKYBVRXEIBU-CECNCDNBSA-N	483.313	3.898	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCC#N	408743430	UBCVVZUAFMULBL-ZROIWOOFSA-N	459.243	3.748	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1OC	409063954	ODLRDIMCXKWJAB-JVWAILMASA-N	495.601	3.662	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	409119153	QZLXFTNQOBNCLG-YZSQISJMSA-N	465.575	3.599	50	40	JHGB	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	1058104	AGEHTOIMUBUVAJ-FQEVSTJZSA-N	465.307	3.878	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1OC	8710669	XBWZFQCZTVDAAO-UHFFFAOYSA-N	475.343	3.609	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	20231830	XFFGBWPVXIPADU-UHFFFAOYSA-N	486.594	3.675	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	20493157	ZQJGAEFMMMWZMZ-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1	101178650	GLFRQPKIBJEYPJ-QUWSGOTNSA-N	456.365	3.930	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408767772	NTSDTZSYFNAAEK-BRJLIKDPSA-N	459.289	3.605	50	40	JHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl	408960788	IYRWYBGLLZPCNH-QPSGOUHRSA-N	452.206	3.875	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2)cc1OC	409129606	UUVQSEMSQYRQBC-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@H]1c1ccccc1	409129609	UWNCEXXHHYVIDW-MOPGFXCFSA-N	489.475	3.815	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	409253953	WAKJBKSULPGBAY-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409269082	DUBAAGMLBXYFFQ-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1cccc(C)c1	409270975	IZERQLNGGIRNAK-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1	957979	XJEMPQQFSQXSAV-LICLKQGHSA-N	455.463	3.800	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nnc1-c1ccc(Cl)cc1	1239443	ZHEPBRCZKGGERJ-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1OC	9715133	YUTVKEPUDYBFPX-UHFFFAOYSA-N	476.558	3.876	50	40	JHGB	
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)ccc1O	9804803	GLQYSALSPPHMEZ-QGZVFWFLSA-N	453.520	3.510	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3F)nc3ccccc3c2=O)cc1C	9981903	MBVPAMIWXKOOFZ-UHFFFAOYSA-N	476.533	3.695	50	40	JHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)c3ccc(Br)cc3)cs2)c1OC	12913154	FGNXFYJVSSLKGL-UHFFFAOYSA-N	462.325	3.665	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1O	18193815	NNSIJBCLGVRWFS-UFWORHAWSA-N	487.104	3.988	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)cc1	19950807	HGIGINKKKNSLFQ-XIEYBQDHSA-N	467.547	3.527	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	20240532	QEERZSAQRMRPFP-OVVQPSECSA-N	473.533	3.690	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	59436858	KFEKNVBKIZTLKR-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)c(Br)c1O	109847974	VQRDGLYUFHQVMD-UWVJOHFNSA-N	487.104	3.527	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)c(C)c2)cc1	408772017	JRUXJRALLFDJFN-VULFUBBASA-N	479.558	3.686	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1	409018527	XDHNZWGCUMFXLV-AQTBWJFISA-N	469.925	3.522	50	40	JHGB	
COCCn1c(C)cc(/C=N/NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1C	2643900	JTXGCDFKISRWCE-WPWMEQJKSA-N	496.633	3.644	50	40	JHGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	40137558	JUTNQALHUMIYNU-COOPMVRXSA-N	479.920	3.674	50	40	JHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408607689	DYQSEGOPBWPOLX-BRJLIKDPSA-N	450.322	3.723	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	408754241	JIRLSIFAASYKNB-SAPNQHFASA-N	479.470	3.917	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408775146	ZIRXAAQYXJTSAM-JVWAILMASA-N	493.585	3.744	50	40	JHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1	408840132	BHVNEVOZMDPVLT-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)c1	408859686	OZMNLWKEYNZPKJ-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1C	408907183	MCURRSNMPBSFSO-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408923183	GBSZOGRKWRMFMS-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1	409027907	VEQLYLSEENGQDM-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409157758	QGMOWTPJTJMYJA-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Br	409352553	ZQIUBGNLJHPKLU-UFFVCSGVSA-N	454.166	3.840	50	40	JHGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3F)c2)cc(OC)c1OC	1084765	KPCGOCIDHOAVDJ-VULFUBBASA-N	452.438	3.835	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(OC)c(OC)c1	1255528	YPJLJWRCBCMSOK-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
COCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2	2794262	WLMPKUNBXQEIFS-AEFFLSMTSA-N	498.575	3.812	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1	5940042	QSSOYQKLGOJEMZ-OEAKJJBVSA-N	456.549	3.661	50	40	JHGB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	9591517	IXQRYBCQWCIIPA-PKOBYXMFSA-N	477.344	3.565	50	40	JHGB	
Cc1nn(C)cc1NC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	13960961	GHYORCOZNNPAQC-UHFFFAOYSA-N	486.605	3.849	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	59417046	VLCPIYGZFKBMDE-ZVHZXABRSA-N	480.571	3.881	50	40	JHGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c3ccccc32)c1	108276819	IZNUMGCBPBGGEE-VYYCAZPPSA-N	486.484	3.914	50	40	JHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	408532934	ROSBVROPEUNVNZ-QPJQQBGISA-N	461.194	3.644	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	408727604	FPVZTQRFHFEHCD-OEAKJJBVSA-N	450.407	3.997	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(Br)cc2)ccc1I	408746506	DWNVRDJSULUAOO-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408861655	UNHRPKBIJCNCLO-PCLIKHOPSA-N	452.580	3.573	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(CC)cc1	409254558	HZZRZTKHWNQYRG-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
CCOC(=O)C(=N/O)/C(C)=N/NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1	9170467	HKTKOEOHDYACBN-BXAHSDCESA-N	486.528	3.956	50	40	JHGB	
COC(=O)c1c(C)nc(C(C)(C)C)nc1SCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	12564082	WONUOBYIILJZJR-UHFFFAOYSA-N	465.579	3.852	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	408871085	VUWTZFAIZGFWLN-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOc1c(I)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409127128	GRTQHWPTCBNPKQ-MRXNPFEDSA-N	466.275	3.513	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(O)cc1	695573	DMQZRJSANWSBSI-NFXIUMSZSA-N	450.568	3.721	50	40	JHGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766233	NWJYUQVBXQJMKW-HKUYNNGSSA-N	494.598	3.513	50	40	JHGB	
Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)CCN3CCN(c4ccccc4)CC3)c2C)cc1	9465318	VWSXGYUHFPMCKP-TURZUDJPSA-N	458.610	3.519	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1	14186061	ZUWICODUJLKNPP-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc(OCC)c1OCC	14800236	SJKZNVFDVQKVGI-UHFFFAOYSA-N	489.956	3.738	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2cccs2)c2ccc(C)cc2)cc1OC	16292523	STHGVTQHEXYRSP-ULJHMMPZSA-N	487.603	3.809	50	40	JHGB	
O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1	103441150	XGSGLVAEDXYULB-XDOYNYLZSA-N	470.554	3.866	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1	408775429	HEIRZTDTDHPXSN-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1C	408979246	LSBPVFFEESJQRC-NWJFTTBMSA-N	465.575	3.872	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1	409067396	XYAZONLRQLZQNP-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1Cl	409172147	IMWRVORAMITDJH-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc1OC	409366164	YKNYIGQXGOSPRF-XKZIYDEJSA-N	466.319	3.954	50	40	JHGB	
Cc1sc2ncnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1C	8829253	DLSURAUEEASJAH-UHFFFAOYSA-N	452.561	3.780	50	40	JHGB	aggregator
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C(=O)NC2=S)cc1	9425336	IXGWOBSCXCBWCP-HKWRFOASSA-N	469.994	3.908	50	40	JHGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccc(Cl)cc1	12032361	OUXUBCIGNOCEGO-LFIBNONCSA-N	463.943	3.532	50	40	JHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	13784983	UWBVOHNXIVFUQB-SWOYFSSUSA-N	467.529	3.668	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1	14923679	KVUMRPXYVJRDFL-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	20059835	PKPRARYWPULQLK-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1	20493152	BUKCGOADQQDIBY-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=O)COc3ccccc3Cc3ccccc3)c12	24347228	OTFSNULTSQFVSL-UHFFFAOYSA-N	469.545	3.585	50	40	JHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	28213817	CNSZBENDVUDRCP-AFUMVMLFSA-N	484.578	3.806	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc(F)cc1	71335735	QXHLLJCUAARTGH-CNHKJKLMSA-N	463.044	3.662	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408755205	QDWWVXHQAMBVFW-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(Br)cc1	408771908	IZYSFLHULUTELV-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(I)c(O)c1	409233174	RMPURKQSZICINT-LPYMAVHISA-N	479.318	3.760	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OC)c2)ccc1OCc1ccccc1	409304153	QFUXBDMPPHCUBO-DICXZTSXSA-N	478.501	3.900	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OCC	409327248	RSEFFLUDHTVDER-GATIEOLUSA-N	466.321	3.585	50	40	JHGB	
COc1ccc(O)c(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c1	1427534	FFTUUJPWIDCFKO-ODCIPOBUSA-N	471.149	3.796	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC	2020900	JFSPJGNRZYTGHJ-JFLMPSFJSA-N	493.516	3.746	50	40	JHGB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccccc3)C2=O)cc1OC	8819489	BWPLHPKSFZXHFS-RGEXLXHISA-N	457.577	3.829	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1	10369436	TYGFDWIWKCALCA-UHFFFAOYSA-N	480.638	3.832	50	40	JHGB	
COc1cc(CC(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	12770699	FVNKPUDQSDLKTC-UHFFFAOYSA-N	470.547	3.539	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nnc1-c1ccco1	13134384	ZNIKNCJXIJFVIL-UHFFFAOYSA-N	477.546	3.544	50	40	JHGB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)c2cccnc2)cc1	20288794	RMSDNUNAXFSKAL-QNGOZBTKSA-N	484.541	3.659	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1	408786047	KKBVKKVQUBFYFA-JJIBRWJFSA-N	466.519	3.715	50	40	JHGB	
C=CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I	409021633	RCOHKAVDNZNVMD-CFRMEGHHSA-N	487.297	3.933	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(Cl)c3)CC(=O)N2)cc1	409313905	JJJPBSDUOKAMEL-KRWDZBQOSA-N	471.966	3.745	50	40	JHGB	
Cc1c(Br)cc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Br	1433508	GTWZNJJLALHCCS-DNTJNYDQSA-N	470.121	3.990	50	40	JHGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Br)c2cc(Cl)ccc21	1458077	YRQOXOZHMQYEMX-NKFKGCMQSA-N	450.720	3.758	50	40	JHGB	
CN(NC(=O)/C(=C/c1c(O)ccc2ccccc12)NC(=O)c1ccccc1)c1cnnc(O)c1Cl	8651804	HGIHULDGPSXPEJ-UYRXBGFRSA-N	489.919	3.633	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	8812720	RQGZNEUFJPLRQX-FBCYGCLPSA-N	456.090	3.713	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@H](C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	9305897	WKVXYBZXUNPGBM-ZXGJNYTGSA-N	483.908	3.640	50	40	JHGB	
Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	12859825	OAKUARVZMGNHDS-UHFFFAOYSA-N	484.372	3.572	50	40	JHGB	
Cc1c(/C=N\NC(=O)CN2CCOCC2)c2ccccc2n1Cc1ccc(Br)cc1	59246510	VCUCFOGOYIUVPL-QFEZKATASA-N	469.383	3.543	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC	408864453	VXZQSVUOYSTZLW-UVPCLOGWSA-N	494.013	3.831	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1	409327287	RXPSSLHSWCIAEW-OALUTQOASA-N	487.375	3.999	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(=O)c1C#N	4106498	VGVSPGCIBRKCDP-PNQUVVCRSA-N	499.493	3.751	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	8819727	XZACIEZYIXTFPR-CYVLTUHYSA-N	498.586	3.818	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	9088104	ZFDPWQKAXFNLQF-LEWJYISDSA-N	481.530	3.654	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1	15225327	UZVIBHDIWSZKLN-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	20061061	YITXVSHIIMSTEI-FGAYPWGZSA-N	495.601	3.969	50	40	JHGB	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1	33770408	CZQITZRKROVTOC-FQEVSTJZSA-N	475.417	3.546	50	40	JHGB	
CCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	102801571	FEUHBYAIDMTQBZ-LXTVHRRPSA-N	473.161	3.680	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(I)c1O	105674991	QFWKRDVPZXCIHE-FOKLQQMPSA-N	475.286	3.721	50	40	JHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1OC	408725579	MEIQZLWENPEVDJ-UHFFFAOYSA-N	475.611	3.967	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OC	409021728	VKGPQRAEFAMDIZ-MSXFZWOLSA-N	458.312	3.934	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	409025172	NCBIUNDGFQNYHT-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)c(C)c1	409113220	HDBQIWWNAYNDNH-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409182944	PBAQUJBNPARGQG-FOKLQQMPSA-N	489.269	3.812	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1)S(C)(=O)=O	409185031	PXFHZWAMVSCLMO-WPWMEQJKSA-N	495.601	3.753	50	40	JHGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O[C@H](C)C(=O)O	409229651	SKEWZVKZRVYOQG-FEJWEZRGSA-N	461.268	3.820	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1	409250432	LPSSILUMQIXURZ-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1I	409356092	DWFIMURIMOHRSQ-DJKKODMXSA-N	458.097	3.616	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	636782	PXADNMJJZDDAAC-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
Cc1ccc(NC(=O)NNC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)c(C#N)c2=O)cc1	642447	DQGNGNICUPBOQI-UHFFFAOYSA-N	478.512	3.610	50	40	JHGB	
O=C(CSCc1cccc(Br)c1)N/N=C1\C(=O)Nc2ccc(Br)cc21	831059	XPCAIFORZAQQTF-UHFFFAOYSA-N	483.185	3.917	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\CC)c3ccc(C)cc3)nnn2-c2nonc2N)cc1	9232539	RSLKPNDLGKNKAN-LGUFXXKBSA-N	474.525	3.541	50	40	JHGB	
O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(CC(F)(F)[C@H](F)Cl)cc2)C1=O	17877418	SRELTXQTSCWCOR-ACJLOTCBSA-N	458.845	3.916	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1	19937046	AXSPWWSWKKHTAH-KOEQRZSOSA-N	463.515	3.530	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)cc1	58915499	PWEYGVJGVCOGMY-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)o1	107857399	PIBUFSAZLMIZRE-MYKKPKGFSA-N	458.854	3.748	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccc(I)cc1	408754097	LVWMJVPBEJEVGG-WSDLNYQXSA-N	489.269	3.666	50	40	JHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I	408791151	UWUJZHSIXRRBKH-LFIBNONCSA-N	486.265	3.635	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	408871818	ZWDXDXIIEQKBJC-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1O	409006413	NQKIWQAHLVOVDZ-WYMPLXKRSA-N	450.322	3.710	50	40	JHGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1	409218807	LAAFHMITCZRHDN-USQUCKOTSA-N	460.402	3.886	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409266059	JLJPBHYZQPANST-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1OCC	409314216	RYFJMRBSGGOEST-GATIEOLUSA-N	468.337	3.809	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1Br	10476097	VVIFTVWAPRKTQS-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccccc2C)C1=O)=C\c1ccccc1	8820652	KKYYXLXXBLFSGV-JGEPBQDUSA-N	451.573	3.604	50	40	JHGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9381832	OOGJOOYMICHBNQ-UHFFFAOYSA-N	450.973	3.881	50	40	JHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)c1	994372	SKUDFILLSZPZHK-UHFFFAOYSA-N	473.323	3.827	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3Cl)nnc2-c2ccncc2)cc1	9925017	KOUKWDHIIYBQDW-UHFFFAOYSA-N	494.964	3.545	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)cc1	58915272	YHBVDBJSQBFQIL-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
O=C(CCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1)NNC(=O)Nc1ccc(Cl)cc1	59608755	OJXILMWRCIXUSR-UHFFFAOYSA-N	481.340	3.559	50	40	JHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)c1OC	12867989	UDDHPMVQZDQPOY-OAHLLOKOSA-N	455.536	3.673	50	40	JHGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)CCCC(=O)O)cc1	15934522	MQLYIYWJMHVSCH-VUTHCHCSSA-N	473.529	3.656	50	40	JHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C2/C(=O)Nc3cc(Br)c(C)cc32)c1	9805683	LTCOWUYBNBTFDE-UHFFFAOYSA-N	457.328	3.566	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccccc1	408864155	UDHPQCJGQXSVAS-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
O=C(Cc1ccc(N2CCCC2=O)cc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	21876293	GNNUXOFROLXOTJ-UHFFFAOYSA-N	479.540	3.670	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@H](C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)C(C)C	409167888	JUKLOSYABLANHO-NRDUTDNZSA-N	477.517	3.623	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1	409255789	IVPORVIZTONAKW-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	409025686	YKZQUUIESGUWLW-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
CC1=C(/C(C)=N/NC(=O)c2ccccc2O)C(C)C(/C(C)=N/NC(=O)c2ccccc2O)=C(C)N1	73355797	LJUGNDOZJHLHOI-POAOKBCDSA-N	475.549	3.797	50	40	JHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)sc(C(=O)N(C)C)c1C	20294821	VHRAMQIGUOXSDT-JXMROGBWSA-N	482.381	3.915	50	40	JHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1Cn1cccn1	12275844	MHRVCUYMGJYBBR-QFQXNSOFSA-N	472.570	3.892	50	40	JHGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(Cc2ccccc2F)c2ccccc21	12372300	JAWYNHUJEJZRNJ-VWLOTQADSA-N	475.501	3.901	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2C)cc1	20206880	UZKWVHKGPMBWMO-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(CS(=O)(=O)c2ccccc2)o1	21284756	XTTVDCMXUFVNBN-UHFFFAOYSA-N	469.397	3.937	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	59437049	WJAQDLFSRPWQHS-ZVHZXABRSA-N	487.603	3.728	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	408783644	OBFWVDSYVKJQJA-RGEXLXHISA-N	480.362	3.725	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1	409175625	TWUMQPMMHWQJBR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl	2407860	YSDORLJYHUJOFK-FXFXYLOPSA-N	464.909	3.651	50	40	JHGB	
COC[C@@H]1[C@H]2CC(=O)O[C@@H]2[C@H](I)[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1	5045569	PRABNDOFJAIZJF-CYPWRKRPSA-N	492.309	3.891	50	40	JHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)C3=NN(c4ccccc4)C(=O)CC3)cc2)cc1	9912599	ZQWGNUVHWCECOB-UHFFFAOYSA-N	486.528	3.608	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1[N+](=O)[O-]	13381943	ISSVLMVVQUBMEW-KWCFBIRBSA-N	465.510	3.828	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2cc(OC)ccc2OC)cc1)S(=O)(=O)c1ccccc1	19937038	BQOLDDQGGKEAFT-NLRVBDNBSA-N	479.558	3.849	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059766	AIUNSBVZCGFIOL-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
CCOc1cc(Br)c([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	23380909	PRUCRYGXNPMBHY-UTKZUKDTSA-N	482.382	3.602	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Br)c1	28632292	VCCNZRCNSGJFRQ-SRZZPIQSSA-N	466.129	3.753	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1OC	83314677	DOVTXBDGJTZWEK-UWVJOHFNSA-N	458.106	3.698	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(OC)c1	408652034	NYEQDRVQFFHDDS-KXBFYZLASA-N	463.889	3.619	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(Cl)cc2)cc1	408908228	WCZNFELPXHJBAZ-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC	408983044	ZZHWIKDIPHODKG-UBCTUXONSA-N	495.601	3.962	50	40	JHGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)Nc1ccccc1	409097871	NUAOIHJQJFOTEO-IUXPMGMMSA-N	460.069	3.915	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1	409148686	ZSVAWXQMCRUNPC-LEWJYISDSA-N	463.559	3.667	50	40	JHGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1Cl	2234658	DMZXTTWAPAHZOB-XYSGSMRZSA-N	478.936	3.959	50	40	JHGB	
COc1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19851826	RSKSEPAJYAKYCB-BJKOFHAPSA-N	465.513	3.757	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	105975337	QTMPRUMHCLONRT-GUDVDZBRSA-N	484.375	3.930	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1	408608388	PKBCDTPDNOHXTC-GOSISDBHSA-N	479.508	3.918	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)cc1Cl	408971703	PKRBMVZSYIPKGY-JFLMPSFJSA-N	452.942	3.565	50	40	JHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O	409113699	GALKZEOSFHUBTO-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CCl)O1	504300752	MUQNGPZZQDCDFT-YDCBSZKSSA-N	454.966	3.889	50	40	JHGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O	2222875	QXRZNVUQHWHVIK-OBGWFSINSA-N	460.534	3.762	50	40	JHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1	8385895	FTSGSPMYYVNHJT-RWPZCVJISA-N	456.502	3.958	50	40	JHGB	
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CNNC(=O)COc1ccc(C)cc1	9561792	ZFIVMQWANANRAX-UHFFFAOYSA-N	473.576	3.600	50	40	JHGB	
CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1	12977807	ZLZYGKZWRZRCOB-UHFFFAOYSA-N	473.577	3.585	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19951642	GYSMJCFUBQGHGM-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1	20211459	NRBKLCZMSMTQNW-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
O=C(CNc1ccc2ccccc2c1)NN/C=C1\C=C(Br)C(O)=C(Br)C1=O	100478920	FLGYCSPPJQJZCH-UKTHLTGXSA-N	493.155	3.782	50	40	JHGB	in-vitro
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC	408879236	CJPWPRIYGVOUNZ-RWPZCVJISA-N	482.968	3.574	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1	408883225	SAHAYJSCJJZSFW-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1cccc(Cl)c1	408887027	LJTHZWSNDRZYKD-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	409110684	XTIRCVVHKRSSLL-PCLIKHOPSA-N	467.547	3.601	50	40	JHGB	
COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1-c1ccccc1	3401792	HJDHZSRETKQBFL-UHFFFAOYSA-N	477.521	3.635	50	40	JHGB	
CC(C)OCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O	3643982	OTCPCTVXXFPNLD-SAPNQHFASA-N	466.925	3.978	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)o2)cc1	20208559	PXYBREMWGJLXQH-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
Cc1cc(S(=O)(=O)NN(C)C(=O)[C@@H]2Cc3ccccc3[C@H]2C(Cl)Cl)cc(C)c1F	95676342	NVCMURRHBHLJAB-IAGOWNOFSA-N	459.370	3.854	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F	659966	CLYPAXXKSVLRRJ-IBGZPJMESA-N	450.495	3.736	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1cccc(C)c1	850101	LGJVIFDRXYCLKT-XMMPIXPASA-N	459.502	3.836	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3F)c3ccccc32)cc1	2194684	FHMYEVSYQXTTBI-LNVKXUELSA-N	454.461	3.576	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)nc12	2206654	GWHMQEPWECWKOG-XMHGGMMESA-N	468.966	3.985	50	40	JHGB	
COc1ccc(C(=O)CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)cc1OC	3230772	CFUTTYXLYHAMIZ-XMHGGMMESA-N	450.417	3.718	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC	9202318	RBJVPPYSXKTMQP-FSJBWODESA-N	463.328	3.862	50	40	JHGB	
CC1(C)Cc2nc(-c3ccccc3)nc(NN(C(=O)c3ccco3)C(=O)[C@@H]3CCCO3)c2CO1	9307679	ZVAQOHPJYMJEGR-FQEVSTJZSA-N	462.506	3.763	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1	19949595	OYCZVGFYPINSKX-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1	20228506	PLNLBMDXEQPCOU-UHFFFAOYSA-N	452.492	3.667	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408614836	IRDMOCAPDRTZFN-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(I)c(O)c([N+](=O)[O-])c1	408741395	LQBWKZNFPROKTD-JYOAFUTRSA-N	485.241	3.914	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408781611	CIGPRTVEQHSFAR-JVWAILMASA-N	493.585	3.883	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)cc(OC)c1OCC(=O)O	408853444	SLAKQJDALVSSDU-JJFYIABZSA-N	462.300	3.805	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(Br)c2)S(C)(=O)=O)cc1	408923294	VQLHWBMVWPKVDT-QQHUYRGFSA-N	482.400	3.543	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409152456	FEUINZJIXVMHMT-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1cccnc1	1433511	IDFLWAMSGJJIRB-IFRROFPPSA-N	490.981	3.931	50	40	JHGB	
Cc1nn(Cc2ccc(C(=O)NNC(=S)NCCc3ccccc3)cc2)c(C)c1Br	2795733	RHONEJWNVNHEHI-UHFFFAOYSA-N	486.439	3.662	50	40	JHGB	
COc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC	16806502	KCWHYTHHFXERNI-UNOMPAQXSA-N	462.502	3.556	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OC(C)=O)cc3)cc2)CC1	20240538	ZJTVRZPMWJCOTH-VUTHCHCSSA-N	486.572	3.707	50	40	JHGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OCC(=O)O	408540756	BNXIFHVEAAXBPY-NSIKDUERSA-N	479.226	3.526	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1OCC(=O)O	408543250	OKMLZXCHBJLMLE-NSIKDUERSA-N	489.278	3.555	50	40	JHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1c(Cl)cccc1Cl	408609034	JDPNPFDHSTXABP-NUGSKGIGSA-N	473.154	3.921	50	40	JHGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408733265	WSVLRBOTXWXNBU-ZRGSRPPYSA-N	489.513	3.704	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408765084	KCRFVUCOTGSGAC-DHDCSXOGSA-N	459.296	3.945	50	40	JHGB	
Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1C	408983744	HKRPDSVBRSAOFU-IKFRKZOMSA-N	466.950	3.718	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OC(C)=O	867458	ZPICOYCIWOICNY-LFYBBSHMSA-N	478.230	3.976	50	40	JHGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(I)cc1	1431107	LFWBZQNIXLYBCH-GIJQJNRQSA-N	459.081	3.583	50	40	JHGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766232	NWJYUQVBXQJMKW-IEBWSBKVSA-N	494.598	3.513	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	8452149	ADDCDUIJVWPWGF-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
C/C(=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)c1ccc([N+](=O)[O-])cc1	8780794	ZXRHSQKIWINIBA-MTJSOVHGSA-N	487.270	3.664	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(F)cc1	8820537	FEOBGEAEVCQRQZ-DURWOYGOSA-N	469.563	3.825	50	40	JHGB	
O=C(N/N=C/c1ccc(F)cc1)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1	14922223	HLXKZEGHTCSHLV-GHJREWKFSA-N	485.559	3.948	50	40	JHGB	
CC(=O)Nc1ccc(/C=C2/SC(=S)N(/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1	17223238	OAZXGSCIYVSZHH-JUDHUSSCSA-N	483.596	3.994	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1Cl	58918534	FFVXXAOAEJPCOK-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408615745	RQZQPACFKGGDEB-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1	408771113	CMSLTXPUQKPKKS-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1C	408837275	BKARBDSWSOBWGR-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1	408926664	VURPRMFZQVBNFQ-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1	409258246	XGXZNALVSGIZLA-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1	409329196	BXVMQELTUQWIQE-UHFFFAOYSA-N	490.629	3.959	50	40	JHGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	3154639	VLGDPFMNIWUTPI-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCCCC3)OC(N)=C(C#N)[C@H]1c1ccncc1	8451184	KNSJSVIQAPTULW-OAQYLSRUSA-N	473.558	3.644	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1	9804800	QAFFXDJWMFDLRK-SFTDATJTSA-N	499.976	3.767	50	40	JHGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1nn(CCO)c(N)c1C#N	12376543	OHQZGUJSIYYOSQ-LICLKQGHSA-N	464.323	3.735	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCc1ccccc1Cl	408607982	GGKUQYKRAYIFJR-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1OC	409017186	FEMFWVOMLBLWCE-VULFUBBASA-N	451.454	3.624	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	409028901	SWNQOLJZCZAUFT-NLRVBDNBSA-N	464.591	3.661	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(Br)c(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140661	HLYQSAHMRNVBTK-LJQANCHMSA-N	490.398	3.849	50	40	JHGB	
COc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	660081	ARNMALZVTLQLRL-DHLKQENFSA-N	495.539	3.766	50	40	JHGB	
C=CCc1cccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)c1O	1088956	BHOMLJUVUHFSBG-FOKLQQMPSA-N	484.310	3.800	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1	1479412	ABWQWGZEBPMIOE-CVKSISIWSA-N	458.547	3.889	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(C(F)(F)F)c1	9097088	XOBSNCOQXZGHCW-UHFFFAOYSA-N	475.449	3.793	50	40	JHGB	
CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)NCc4ccccc4)cc3)nc2s1	20331912	RUPJFEDPWCHRPB-DEDYPNTBSA-N	485.569	3.906	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	59334398	CHIHEVYJCLDYRW-NVNXTCNLSA-N	460.284	3.940	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409066189	MDTJSYADKMPXGR-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1	409173532	JKCSJOJTIXJQNB-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1	409250483	MGHPVECPTCTSPM-OKCVXOCRSA-N	486.572	3.704	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1	409378749	RCTZQOXQNCQFHO-PDGQHHTCSA-N	484.350	3.541	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1091970	MEWURAHFVGKVFZ-ODCIPOBUSA-N	478.690	3.725	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1	9355245	QJZOBRVGYJIEIX-ZMOGYAJESA-N	478.417	3.560	50	40	JHGB	
CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NNC(=O)c4cccs4)n3C)cc2C1	10440133	APUZSTCMJLSFSB-GFCCVEGCSA-N	461.638	3.673	50	40	JHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc(Cl)c1	15525346	HYPYAPLSCSGYSF-UHFFFAOYSA-N	464.330	3.869	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	59246558	LELVOBSTDWLVMN-MYKKPKGFSA-N	484.753	3.603	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59435849	JRZQTLMITOWLGU-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1	100386399	YHVBMYHADOHTSU-UHFFFAOYSA-N	484.607	3.641	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)O	408796309	OPWFYRWEGVTVBJ-AWNIVKPZSA-N	490.266	3.765	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	408849657	XYSJKXSGHKMQQG-HJHGFDQJSA-N	456.502	3.627	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1	408865518	CRTIXFYDYWMDPG-VIZOYTHASA-N	461.312	3.707	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408923881	HRIOUDGARGSIFJ-BHGWPJFGSA-N	477.892	3.674	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409221421	PZAFGBBCRUICSI-MSXFZWOLSA-N	481.318	3.622	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	8452156	QROYMNUBFWDANQ-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)=C\c1ccco1	9496879	QHYWZBJPBFZRAA-UOCWKBQCSA-N	484.929	3.590	50	40	JHGB	
C/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C#N)cc1	96399196	NSULEDVKXMQBHV-DIBXZPPDSA-N	460.559	3.841	50	40	JHGB	
COc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)c(Cl)c1	226326914	OMDIFLKLGUITFQ-UHFFFAOYSA-N	467.090	3.789	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCC(=O)O	408798917	GJWSKXCLFWPHBG-LICLKQGHSA-N	473.323	3.577	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1	408847631	NUSQQHZKHFKECY-NUGSKGIGSA-N	495.344	3.984	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408897283	RFENWGBDXVKEQX-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccc(Cl)cc2)cc1	408907533	QGGPRXFXAYOZQC-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)O	408982058	XLGHWLFJEYVPIV-LWKXQZBCSA-N	489.528	3.560	50	40	JHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1	409268050	YZKMQGKQQCTPCV-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21	2222609	RPNSJPWKAZQBMJ-UHFFFAOYSA-N	489.944	3.604	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1O	10476110	FFMVEPDEETXLTK-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1	409190902	BADXQRGDEJPZRX-QPSGOUHRSA-N	467.294	3.700	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1	409261625	CCHNUMMCHUNTEH-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)Nc1ccc(Cl)cc1	409270421	FTRXSVNHRXVKJB-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OC	409318085	WWAJJVZKZLUDAS-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	9404158	JOOBFKZEGJHNNQ-UHFFFAOYSA-N	476.407	3.694	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21	13567675	ZRSMGBPLUHXMAO-AREMUKBSSA-N	454.917	3.779	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19948899	LFJCZPSGFDQZMN-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)Nc1ccc(Br)cc1Cl	20312181	BRADPWFUPUMUHE-SECBINFHSA-N	472.748	3.616	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C#N	27497302	QVMUFSQAUSRJBF-KIBLKLHPSA-N	483.868	3.759	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	35225725	HUIIHTZCYXTJID-SJUCLPJRSA-N	454.486	3.838	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Br)c3)c2C)cc1	58913095	QRNDNMMNTYRJTD-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1	408657779	HPMRZLKCJFUVLU-JVSBHGNQSA-N	489.355	3.905	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccco3)cc2Br)cc1	408752098	BSRJAWRYEWWLGV-CIAFOILYSA-N	463.309	3.882	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	408980533	RUFQCKIVFSGUPL-ZVHZXABRSA-N	486.937	3.589	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(C)ccc1O	1434966	UDHVLCDNOWTXJR-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(SCC(N)=O)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	9329087	WUUKEDLBCJVMFY-IBGZPJMESA-N	457.552	3.836	50	40	JHGB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	9591323	WCLIWWZCYOASFQ-LPHOPBHVSA-N	477.344	3.565	50	40	JHGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	58872721	JSDVDCNQWFQTSI-NLTKLDOMSA-N	455.518	3.663	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	70692128	JOCSYNPDAMGNJA-ICBBOFBMSA-N	487.593	3.877	50	40	JHGB	
COC(=O)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F	111401914	JOMJXRTUQWIHQD-PHDIDXHHSA-N	488.099	3.966	50	40	JHGB	
O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1ccc(Br)cc1	409227762	WKGZXHMLLZWOOL-NHDPSOOVSA-N	458.224	3.933	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OCC	954748	LDRIRJDPRWRRJA-PZIWGWIQSA-N	468.579	3.531	50	40	JHGB	
COc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c3ccccc3n2)cc1	2631746	MKEGFEAYURSYNH-UHFFFAOYSA-N	455.470	3.528	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccc1Cl	9057273	IHFBKIHOKQKFDC-NKFKGCMQSA-N	461.747	3.637	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	12575013	POEJVWJRPJGACF-MKYUKRCKSA-N	464.614	3.760	50	40	JHGB	
O=C(CCCc1nc2ccccc2s1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	17633212	GVIKSDTYJHDWAY-UHFFFAOYSA-N	497.584	3.782	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	20060548	XCWJOUPOYIZTQU-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
O=C(CC(=O)NC1CCCCC1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	59960506	MREKGDCEPAPFRT-YSMPRRRNSA-N	470.957	3.647	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	211031125	ATYCPCOFBRTJKB-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)cc1)OCc1ccccc1	408738610	SPTLUNDVOWAEAG-GCFUEJLLSA-N	456.502	3.861	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1	408770805	ABOWSEPCGSKBQZ-WPWMEQJKSA-N	495.601	3.920	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408934814	DBOULIUPYUDSDQ-ROTLSHHCSA-N	455.898	3.983	50	40	JHGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409005142	ZIWVHPCVPPQGPP-SFQCIDFKSA-N	457.874	3.537	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccccc1	409166766	FPWBZJDGHSZUHH-CCVNUDIWSA-N	484.434	3.812	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1	409184408	KZJPSRFTUWRNAM-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1	409186101	WOXHSHWRVMFKES-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409355788	LHEWFXVDLAGLBC-WYMPLXKRSA-N	453.386	3.997	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1444801	BUXWZCFIFIAVDR-VULFUBBASA-N	462.462	3.693	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1OC(C)C	1783714	XDRIUWLBQJGBDP-PZIWGWIQSA-N	468.579	3.844	50	40	JHGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	20214233	WWQFEZASLKEHSR-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
COc1cc(C(=O)NNC(=O)CCc2nc(-c3ccsc3)no2)ccc1OCCC(C)C	21968733	LLQNQJNKBRWPQO-UHFFFAOYSA-N	458.540	3.625	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OS(=O)(=O)c1cc(C)ccc1C	33783959	OIOZWMJGHXDIGC-DHRITJCHSA-N	482.514	3.572	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1	408656659	GCWAKBSOYUKIHL-ZRNYENFQSA-N	489.355	3.905	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(=O)O	408745177	PVHQXWOJCWJMNL-AUWJEWJLSA-N	492.269	3.617	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)c1C	408787691	DXNIOKDGEFRPOT-OVCLIPMQSA-N	476.270	3.917	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OCC(=O)O	409246610	JMZLDFDOWJPWTI-YVLHZVERSA-N	473.323	3.577	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1OC	409318649	ZHOQDCQVEBIZRO-MSXFZWOLSA-N	464.902	3.763	50	40	JHGB	
Cc1sc2ncnc(S[C@@H](C)C(=O)NNC(=O)COc3ccc(Br)cc3)c2c1C	2074586	GMUHVSHHTJCBKN-LBPRGKRZSA-N	495.424	3.778	50	40	JHGB	
C=CCn1c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1	9589143	HWVGPSYCOYMPAF-UHFFFAOYSA-N	492.388	4.000	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195188	PJLOQJAXIHQNBP-YDZHTSKRSA-N	476.314	3.621	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(Cl)c3)C(=O)C3=C2CC=CC3)cc1	101181533	KNTVIARCNMKONL-HFTWOUSFSA-N	481.961	3.826	50	40	JHGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	408737340	NRWPFLUOOVBGSH-AXDLBROPSA-N	451.483	3.520	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1	408789415	PYUIBOPWVURSFM-WUXMJOGZSA-N	482.661	3.954	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409055860	JVKJEVTZEKTJBV-LSFURLLWSA-N	469.719	3.735	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1	409257136	QXFSVALJSULCJJ-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(Br)c(OCC(=O)N/N=C/c2cc(C)ccc2O)c(Br)c1	1435596	ZVYZAUIXRYXYRZ-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O	1474028	POFOJBLBABASBQ-AFUMVMLFSA-N	473.514	3.845	50	40	JHGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1	33779400	YWLPSSAHRHGJMC-MSXFZWOLSA-N	470.503	3.816	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1	100386347	OWJKVDDQCSNKEM-UHFFFAOYSA-N	468.608	3.941	50	40	JHGB	
BrCCC[Sn](Br)(Br)Br	195778030	VPKMVBUHAOSIAV-UHFFFAOYSA-K	480.408	3.895	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Br)cc1	408918560	LYDWSZLALPVTQP-YDZHTSKRSA-N	463.328	3.640	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409025306	SXGYHGUDEVJWHL-WLXKGNRNSA-N	467.547	3.792	50	40	JHGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(SC#N)c1O	409044979	FAUKIVBCLFNYAD-WCIBSUBMSA-N	464.286	3.947	50	40	JHGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409160428	WZOSBBXSYAGNCG-LUOAPIJWSA-N	483.908	3.560	50	40	JHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl	2135171	FCHNOQMUHNXOPQ-UHFFFAOYSA-N	462.127	3.670	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O	2194263	IEADANHQDPIVLP-SAPNQHFASA-N	466.925	3.898	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC	9437261	VNXRJYPQXNGKOB-IBGZPJMESA-N	478.505	3.728	50	40	JHGB	
CCN1c2ccccc2C2=C([C@@H](c3cc(Br)ccc3F)C(C#N)=C(N)O2)S1(=O)=O	20558393	DRLXAIWDKOUVBJ-KRWDZBQOSA-N	476.327	3.934	50	40	JHGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)cc1	22715095	FSFXOOBJCGFFNH-UHFFFAOYSA-N	478.578	3.531	50	40	JHGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409089716	JWBKQSSMUJQJNV-FOKLQQMPSA-N	489.269	3.812	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409267708	VYOJMQCYWPOFRX-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(C=C(C#N)C#N)cc(I)c1OCC(=O)NCc1ccccc1	2747311	VLWMXKWWIDRGIT-UHFFFAOYSA-N	487.297	3.816	50	40	JHGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1	6166236	MNEXANQHOZHRSZ-JZUIVORYSA-N	489.395	3.762	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(-n2ccnc2)cc1	9097086	RUEHNQKEESKNRO-LFVJCYFKSA-N	465.560	3.889	50	40	JHGB	
Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1	9453543	SQOROVMGQZUUIJ-UHFFFAOYSA-N	495.626	3.690	50	40	JHGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)o3)sc2c1	41074207	XVZWIHDAWWJXAF-RMKNXTFCSA-N	452.311	3.601	50	40	JHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408609839	LRZFPVHHHHGPDO-NUGSKGIGSA-N	473.154	3.921	50	40	JHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	408732477	VMFUZIOFMUISNK-AUEPDCJTSA-N	497.924	3.835	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cl)c1	408741837	SGIPFQAEQUZNIQ-JMJNUIHMSA-N	493.976	3.527	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408769234	PPHIZOCHTXOKIG-LGUFXXKBSA-N	465.575	3.999	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408772657	DXOGJSIKXXYOCQ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1	408780504	ZXVHKZSZBDXNDG-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1	408862042	HSAIQEQRRBHLHM-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408883295	QOFRAGGHSXFMNV-RQZCQDPDSA-N	485.334	3.710	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC	408981193	VEYHBUQAQDLXFA-ADIMLFFHSA-N	461.518	3.724	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1	408982764	YZTWQVKABKMLJL-SYOQMXFQSA-N	453.539	3.812	50	40	JHGB	
O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NNC(=O)c1ccc(Br)cc1	2626790	DTSZXNCSDUFUON-UHFFFAOYSA-N	496.361	3.884	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)cc1	12275431	PLIPRBRVVJZJEZ-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1[N+](=O)[O-]	13381942	ISSVLMVVQUBMEW-YGFNIOOWSA-N	465.510	3.828	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OC	19956975	KZHFPUBHDIYINR-NLRVBDNBSA-N	481.574	3.824	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1	58918172	MWHBTYCXOFHDSR-WPWMEQJKSA-N	493.585	3.927	50	40	JHGB	
O=C(N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1Cl)c1ccncc1	104295287	PKKCFTNWUYFDDB-VFGJUVTHSA-N	468.300	3.905	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1OC	216041995	ZJPDHJFPHDEZNJ-NHDPSOOVSA-N	452.292	3.618	50	40	JHGB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1	408532191	MBVFBUORHCPLDJ-XQNSMLJCSA-N	484.556	3.556	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC(=O)OCC	408791249	XSDJQPDMUZKUSN-NKFKGCMQSA-N	459.546	3.613	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2cccc(Cl)c2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409071111	OQJAJYNSKXFGDO-BCHBDCPOSA-N	459.815	3.849	50	40	JHGB	
C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409132937	YPOUDSVXCRSDJP-GOSISDBHSA-N	476.270	3.788	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)c1	409152835	GHXMWXLVVMEQID-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c1	409163372	QNOREUKPOSIVNN-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	409264854	GMFMBXBBCFOOJM-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1	1421645	ONRLZMDVGRSPOK-AUEPDCJTSA-N	458.234	3.955	50	40	JHGB	
COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)sc2=O)c1	2235006	QJLMIYDRZPBERE-AUEPDCJTSA-N	464.330	3.815	50	40	JHGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	3116221	XSNFYQXDWRXQNA-UVHMKAGCSA-N	453.857	3.578	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)ccc1OS(=O)(=O)c1cc(C)ccc1C	5983549	YJCHTWPDHWLJNT-CVKSISIWSA-N	492.557	3.800	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(OC)c1	408652031	NYEQDRVQFFHDDS-DNVCBOLYSA-N	463.889	3.619	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408776618	XIUPRYWWBBQUNX-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408964166	QTOAYLXPLNWYKW-FSJBWODESA-N	458.342	3.684	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409169876	SOZRVVVQBIKTQZ-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	409185279	VQKCKDKMLZCIRX-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1	409265843	UNQVGIUSLNXWFB-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	9908330	KYATVCPIZKQCNL-VDWFRPMFSA-N	475.480	3.721	50	40	JHGB	
C[C@@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1nc(-c2ccccc2)oc1O	16322127	JHFOMCZUWVXXHO-NJOZIDHTSA-N	457.284	3.699	50	40	JHGB	
C[C@H](O/N=C\c1ccc(Br)cc1)C(=O)N/N=C/c1nc(-c2ccccc2)oc1O	16322129	JHFOMCZUWVXXHO-BMMWJFNVSA-N	457.284	3.699	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59678636	LTOQLPGTGZKQCO-BHGWPJFGSA-N	496.501	3.641	50	40	JHGB	
O=C(c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)N1CCCCC1	408672954	PPBYUZLCCHOAKH-ZYGGUILKSA-N	498.215	3.739	50	40	JHGB	
Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(=O)Nc3cccnc3)cc2Br)n1	409105682	KCDIQHYNNCPBPM-IZZDOVSWSA-N	458.297	3.938	50	40	JHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	409311828	BNYODSFCNKQVHL-KRWDZBQOSA-N	455.923	3.837	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cn3ccc(C(F)(F)F)n3)c2C)cc1	3290673	GVTMZMKFJQYAPI-RPPGKUMJSA-N	461.444	3.636	50	40	JHGB	
CC1(C)[C@]2(C(=O)N3CCOCC3)CC[C@@]1(C(Br)Br)[C@H]2Br	4285578	MGCRERZVHHMPKR-BIGNPOOSSA-N	474.031	3.531	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC	6166377	VCDSGHWGXFRBNE-ZDSZYGSISA-N	468.579	3.701	50	40	JHGB	
Cc1cc(Br)c(OCC(=O)N/N=C2/C(=O)Nc3ccc(C)cc32)c(Br)c1	8386518	LKOGDUIIWNZOQK-UHFFFAOYSA-N	481.144	3.680	50	40	JHGB	
Cc1ccc(SCC(=O)NN/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1	33014852	WVMRXEFJZFCRGC-DEDYPNTBSA-N	478.961	3.984	50	40	JHGB	
O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C/c1ccccc1C(=O)O	44965642	MZOCOQSMLMTMQG-ZVHZXABRSA-N	460.328	3.588	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCc1cccc(C(=O)O)c1	59249245	ORJLRIJFEOWLFU-DICXZTSXSA-N	477.517	3.568	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408748923	JBTOXYILULXKON-BUVRLJJBSA-N	499.501	3.534	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1-n1cccc1	408756087	QUBCFBRWJINRHW-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1	408772374	LANYEARAEMGNNI-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)OC	409220928	HWBHQQAYBGRAQA-UNOMPAQXSA-N	456.926	3.946	50	40	JHGB	
N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)C(=O)Nc1ccccc1	409227107	XOAUDFDBEGBFTI-WUXMJOGZSA-N	479.128	3.621	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	409257146	RAPWTZCNSJHPRR-WPWMEQJKSA-N	474.517	3.582	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc([N+](=O)[O-])cc1	12363932	SXHYKXLQBWHTRC-CIAFOILYSA-N	489.355	3.785	50	40	JHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC	951104	OYZJWHKWRXFESL-XOBNHNQQSA-N	462.458	3.695	50	40	JHGB	
O=C(COC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)NNC(=O)c1ccccc1F	22419357	LWCWQCODPPKTJF-XSFVSMFZSA-N	484.430	3.972	50	40	JHGB	
CCCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1OC	12538083	YFTJUZXRLWLMTO-UXBLZVDNSA-N	450.438	3.568	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cc(C)cc(C)c2)cc1	408860696	CDOXNHFFNWPZFO-OGLMXYFKSA-N	490.585	3.860	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1	408774460	OJXZSPZOXSWLOE-NLRVBDNBSA-N	464.591	3.661	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O	408648805	KHMFSESQTUIEFB-SFHVURJKSA-N	475.860	3.511	50	40	JHGB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21	409192779	AXMPLXQQMQCIRA-IOVUBPJKSA-N	484.556	3.994	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1O	9846784	GRHQQVHSXPSGQI-DAFNUICNSA-N	464.319	3.878	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC	408971076	HFCADKRHJNSNPD-BOOTZKDASA-N	469.582	3.852	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1c(Cl)cccc1Cl	408616416	YXFCJDACVIWZJR-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)o1	409150486	CACKOXVRYDWHHQ-CCVNUDIWSA-N	490.516	3.687	50	40	JHGB	
Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)C(=O)NC2=S)cc1C	408746470	ZLRLYXPHUHWJMO-MDNBWPLSSA-N	497.374	3.519	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(Br)o1	408951869	KIHBDMJNVXIARR-DNTJNYDQSA-N	453.090	3.882	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1	1479390	DMAUAFVNTYMDAB-CVKSISIWSA-N	458.547	3.889	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	100887926	QTMPRUMHCLONRT-QYZOEREBSA-N	484.375	3.930	50	40	JHGB	
CCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2	101008994	NOJCAOMULLVJPJ-NRFANRHFSA-N	481.490	3.928	50	40	JHGB	
Cc1cc(NCC(=O)N/N=C/c2cccc(Br)c2)ccc1I	1081765	IJKCMWHURYUPQV-AWQFTUOYSA-N	472.124	3.924	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)c1	3200294	AXRFVXAOUGYKGH-XBVXLEFASA-N	454.596	3.744	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)COc3cccc(Br)c3)cc2)cc1	9994348	MMNWZRUZOCMPDF-UHFFFAOYSA-N	480.318	3.593	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1	12859464	BSWWHGFDLXIWBC-AJDZEDNZSA-N	481.858	3.873	50	40	JHGB	
Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c(=O)c2c1C	14239808	QRTQFDXXMKCIPC-HDDXYUSQSA-N	474.652	3.587	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1	30742990	JZSFFSKKXWASKH-WGARJPEWSA-N	489.557	3.905	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1cccc(Br)c1)N/N=C\c1cccc(Br)c1	31670103	VKUKPQFINXMOGP-SEKXJNOLSA-N	494.187	3.982	50	40	JHGB	
O=c1nc(O)c([N+](=O)[O-])c([C@H](Br)[C@@H](Br)c2ccc(Br)cc2)[nH]1	101459369	PLDFICKODQPQPR-JGVFFNPUSA-N	497.925	3.718	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409165242	VEAVULAKKLTLID-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	2057398	GFMOOXKWORKVPD-ZGCZVDSBSA-N	492.488	3.797	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	8451020	ZBUFAAQAEQPADV-FQEVSTJZSA-N	462.531	3.606	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Cl)s3)nnn2-c2nonc2N)cc1	9291963	ZHAQPIHIBHVBDI-FOKLQQMPSA-N	486.945	3.557	50	40	JHGB	
COc1c(I)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	32194063	MKIULIDOXMFTHU-ODCIPOBUSA-N	493.179	3.991	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1	38683223	JOAGOPWLWHACDS-HSZRJFAPSA-N	456.454	3.919	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408615816	SMHYRIYPQJJUSY-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1	408781186	BHCQNQATLWKBSE-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(C)(=O)=O	409109590	HUCMMWJRCLYEBW-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc([N+](=O)[O-])c1	409124372	BLYKTKURNZLVNQ-JJIBRWJFSA-N	466.519	3.882	50	40	JHGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409227429	YNPJZGKLXLNZHN-LBUFORBSSA-N	460.402	3.886	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC	409336327	NPXGGFPPWHYPAQ-WNFNFYEPSA-N	471.554	3.654	50	40	JHGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O	3663303	LLXLVPWKGLOCSW-OEAKJJBVSA-N	488.363	3.500	50	40	JHGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766238	XDIUZTCVXNCJQJ-PKOBYXMFSA-N	494.598	3.513	50	40	JHGB	
O=C(CCCCCCCC(=O)NNC(=O)c1cccc(Cl)c1)NNC(=O)c1cccc(Cl)c1	8398223	TZOXRWADKUYJPN-UHFFFAOYSA-N	493.391	3.946	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1	8825072	WIQDUKHBTVMTHU-KNTRCKAVSA-N	493.541	3.522	50	40	JHGB	
O=C(NNC(=O)c1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1	14805320	SPMVWHNUYZZDAO-UHFFFAOYSA-N	451.529	3.777	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)c2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	40486390	YHOLQSIBFIHUPX-LEWJYISDSA-N	482.945	3.896	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCCc1ccccc1	58882003	KLTANFXERRHVAF-ZCTHSVRISA-N	494.551	3.666	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC	59488437	TZKUBXCNTNFYJU-MUFRIFMGSA-N	495.963	3.745	50	40	JHGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	100773803	PFLQITSBRCRCLW-DHRITJCHSA-N	452.338	3.865	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1	409027207	CDOJLQKAFJBPBC-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409259704	CVZFASFHZVGCLT-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)N(CCc2ccccc2)C(=O)C(C#N)=C1C	8437838	JXTIKGBIQMKDCF-ZHZULCJRSA-N	487.541	3.725	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1	19948715	JIANOKUQQGQBSY-WGOQTCKBSA-N	479.558	3.854	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1	19949152	UFGMGOCGJZADGC-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1Cl	19951907	BALOWKRPUSFVKF-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1	59417051	ZDMBMCVNIJPFTI-ZVHZXABRSA-N	480.571	3.881	50	40	JHGB	
CCOC(=O)NN(C(=O)OCC)c1cc(C)c(N(NC(=O)OCC)C(=O)OCC)cc1C	100341585	XNDAPSZFNLSPRZ-UHFFFAOYSA-N	454.480	3.551	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408860078	YAKRJQBTSJTSFZ-YVNNLAQVSA-N	461.268	3.520	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408860703	CGVJLKPSYKMNJY-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1	409123849	FCJMVTLHVOCMCM-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](NC(=O)c3ccc4c(c3)OCO4)C(C)C)o2)cccc1[N+](=O)[O-]	409173694	QIUYBMRQUKXDDH-JXHYGPBUSA-N	492.488	3.797	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409254041	CYCMKXUFFAHBAE-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c1C	409262725	JRJQCPYTLVPADK-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	918959	OZRDLQKJIPLHBT-JVWAILMASA-N	478.501	3.633	50	40	JHGB	
O=C(COc1ccccc1C(=O)NNC(=O)c1ccoc1)Nc1ccc(SC(F)F)cc1	12822556	LRLAMNZMHFMSRI-UHFFFAOYSA-N	461.446	3.687	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccco1	13839139	LTIADTSNQOLAGA-MFKUBSTISA-N	452.463	3.608	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)c1	14200386	OMKLYAOHXNWSHE-UHFFFAOYSA-N	457.939	3.832	50	40	JHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1	16044127	VZXZMFDHNSSWOM-UHFFFAOYSA-N	473.529	3.866	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	19926316	JIFDIBJPFVZKBF-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1	20170633	PUZCUIWBHAVIIV-JOCHJYFZSA-N	467.547	3.846	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1	20214815	ACKYTUCCWXMZJM-AYQSFACRSA-N	495.601	3.887	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100768511	JOCSYNPDAMGNJA-DPGADTHOSA-N	487.593	3.877	50	40	JHGB	biogenic
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408771079	CVNPGELZZRFODT-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(Cl)cc1	409112929	CSPWKOBPVDHACE-OEAKJJBVSA-N	461.927	3.677	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(I)c1O	875014	OSEOLPUNWBBOEU-ZVBGSRNCSA-N	488.709	3.886	50	40	JHGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(Br)o1	1093593	SFDODLOCYVKOSO-OMCISZLKSA-N	463.107	3.955	50	40	JHGB	
O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1cc(Br)cc(Br)c1O	1632080	KOVHPMAQLHPRSJ-GJZGRUSLSA-N	488.563	3.682	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c(OC)c1OC	3089591	WMBQJQRKJDPTLA-CVKSISIWSA-N	450.491	3.821	50	40	JHGB	
CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567601	MWHAXMANBNDYQD-HHHXNRCGSA-N	453.546	3.933	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1	28214904	ARVXXCNBNDHHKA-RAQUAXEKSA-N	475.998	3.647	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	32119775	LKUHCNMKQPFRKN-CFRMEGHHSA-N	453.838	3.997	50	40	JHGB	
CN(CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1	34688017	PYGDAOCMQCKEOH-FMCGGJTJSA-N	450.347	3.917	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	408606735	ANXXPHIQJMBAHV-MUFRIFMGSA-N	492.963	3.686	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408818870	PGUCJDGVBBFOMG-ZROIWOOFSA-N	494.260	3.918	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccncc1	409009582	GKIUCIROJWOGHQ-CVKSISIWSA-N	491.400	3.772	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	409335324	VHJOOJZQQXSIMR-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1	2267169	ILRLVRYQMFZRGF-DHRITJCHSA-N	454.324	3.881	50	40	JHGB	
O=C(NNc1c(F)c(F)cc(F)c1F)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	2665184	SXGJDADIYHAVRT-UHFFFAOYSA-N	499.408	3.806	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1O	3035356	MTYYCCCSCFJRMI-AWQFTUOYSA-N	474.682	3.578	50	40	JHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)CC(=O)N1	3321531	KODCWSSBXINEEA-KRWDZBQOSA-N	451.548	3.977	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(C)cc2)cc1OC	19955662	NWVKPSSHGNABON-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc2c(cc1Br)OCO2	33154832	BGWQGPWUOGHONE-GATIEOLUSA-N	478.302	3.796	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1	36290038	AWJUDGYPTUCYGG-NGYBGAFCSA-N	474.178	3.566	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100394147	HURKDGJKHYMIHD-JKFTZAAJSA-N	463.553	3.631	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408768875	KSUWSYVPXXYUHW-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)cc1OC	409005731	KLTGYCACTLLNAO-MZJWZYIUSA-N	463.456	3.725	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NC(N)=O	409238464	DKHXKAMOUFMKFC-RZNTYIFUSA-N	459.687	3.655	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccc(F)cc1	409239586	ZKOTVVCABZEXCO-RPPGKUMJSA-N	497.552	3.501	50	40	JHGB	
CCCC[C@H](Cl)[C@@H]1C(Cl)=C2C(=C[C@@H]1[C@H](O)C(=O)[C@H](O)CCC)[C@](C)(C(=O)O)C[C@H]2C(=O)O	1772592067	YVFJLAAPXXXIMK-BDDUKWSJSA-N	491.408	3.736	50	40	JHGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccccc1OCC	4078192	JITGLFMBEDAXOO-MSOLQXFVSA-N	486.575	3.882	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)[C@H](C)Sc2ccccc2)cc1OC	12866950	UPKRDBHNURNASY-LBPRGKRZSA-N	453.358	3.798	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	58911846	JBLMCYGMVZRUQW-VULFUBBASA-N	483.366	3.632	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	408774176	BRZJCSXBFUSVHQ-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	408838888	JTMDWEWNSUSERK-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1	408906283	FKFZREUFBYJZHQ-AEOXGOBCSA-N	458.367	3.697	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(C)c1	409144130	JQCUAOPSCMAJHO-CVKSISIWSA-N	465.575	3.619	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	409156285	RRRMRGUPWKIAJK-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1)NCc1ccccc1	409248728	FQOPLTVCDBGJQI-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	2253963	RLWRSVZIAAMAGG-QHCPKHFHSA-N	488.500	3.543	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	2310372	IKAFJXVDIILFRV-SFTDATJTSA-N	465.531	3.954	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccccc1OC	2588736	KVLNOABDWDBENZ-FGZHOGPDSA-N	493.541	3.848	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8820454	JZXGIYFGHRKVQF-DFBITEFZSA-N	499.530	3.794	50	40	JHGB	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NNC(=O)c1ccc2c(c1)OCO2	9129290	PCLZBUXXPYDGJP-WYMLVPIESA-N	452.470	3.742	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1OC	13552438	NPACDYJVJINSSN-LTBFUDJGSA-N	484.530	3.690	50	40	JHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	28214233	ORBGHKZJEVBJCJ-VTBLIGMHSA-N	475.998	3.645	50	40	JHGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	28336045	RFMDJIYKCXXDKL-VIFPVBQESA-N	483.846	3.580	50	40	JHGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1	33575037	XQPUOALNEHTUBC-UNOMPAQXSA-N	498.377	3.849	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408786825	OHMDFYFGWLRYIM-JVWAILMASA-N	493.585	3.744	50	40	JHGB	
COCCNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1	408822552	CEKFNIJYWLGYBK-JWGURIENSA-N	493.585	3.649	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1C	408878270	ZHQZPLPVODLIJF-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029156	YFHPIXLYHQENTR-FLVDCRJSSA-N	482.518	3.692	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)CSCc1ccc(F)cc1	409342734	HEVOKEIWLSPBQJ-RMKNXTFCSA-N	450.351	3.986	50	40	JHGB	
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1ccc([N+](=O)[O-])cc1	3358972	ORYACUFYRADZNI-UHFFFAOYSA-N	465.516	3.820	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1	19926372	RRBUFMSRSSVARZ-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C	21120828	APXZDUSBTCHUKI-INKLHFNDSA-N	489.576	3.790	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc(OC)cc3)c2)cc1	40161283	LZXDEQWYTXZTHF-JLPGSUDCSA-N	453.520	3.659	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1	408718620	KHYQJHAHXGBGRE-QQXSKIMKSA-N	477.473	3.914	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccccc1I	408756432	RUUBRSHOHQNQGL-WSDLNYQXSA-N	489.269	3.666	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	408844192	VISHJPCGOPPWRP-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)cc2)cc1OC	409005598	FLHQJCFDRLNZQP-MTJSOVHGSA-N	468.291	3.861	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8951381	IZAOHYYPPGWWAY-JTHBVZDNSA-N	453.477	3.888	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1	38683215	KMRKJWMQCMZPMS-HSZRJFAPSA-N	456.454	3.919	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br	107540776	PTWCFFVUSXNMDF-AWQFTUOYSA-N	469.133	3.943	50	40	JHGB	
CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@H]4C(C)=O)[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14	256440466	PSLJWFDKICJBAP-GJQSSUGFSA-N	452.547	3.932	50	40	JHGB	in-vitro
O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408677955	CHSJRIYXGPPLDF-KSCVBYKOSA-N	473.298	3.588	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I	408960541	GRRNXIKJIQLZTA-DJKKODMXSA-N	465.203	3.718	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	409186248	ZKNFPASODJNBAZ-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc1	409259750	DTHWZTXGIKKVCU-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1	409270599	RBLVTFMBOUHNNW-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
COc1ccc([C@@H](C)N(C)NC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1	670045	MOBGPNCIBIDTJC-GOSISDBHSA-N	450.535	3.673	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	19798674	PVMPJFQBMBSPFK-BHGWPJFGSA-N	484.753	3.603	50	40	JHGB	
O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)NNC(=O)c1ccccc1Cl	32945567	JXAKTNXRMOYHLB-UHFFFAOYSA-N	470.963	3.654	50	40	JHGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	35128458	OWVQYQZJCQQMTF-PKAZHMFMSA-N	479.602	3.907	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)c1	58915328	XXQFKXITEAQARE-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	72332918	HXBCXXIMAVRSRY-KCBICPTNSA-N	479.595	3.896	50	40	JHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3cc(Br)ccc3O)cc12	85955763	QWXWEXWPITYHLI-MYKKPKGFSA-N	488.338	3.661	50	40	JHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccccc3I)oc12	408553381	YLFXFHPROSCILI-DJKKODMXSA-N	465.203	3.718	50	40	JHGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408609392	REYDAYZQADYXMR-OPEKNORGSA-N	472.756	3.829	50	40	JHGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1Cl	408616138	WMFIZGSHWUQYHO-JTQLQIEISA-N	471.138	3.570	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408773542	RJIKAJQQVMMMOI-JVWAILMASA-N	493.585	3.883	50	40	JHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccco1	409029406	AOECMUXBWXIJIA-FMIVXFBMSA-N	455.264	3.736	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc1	409258833	WDMOVPMGIHJZIE-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1	409266261	PQCYLVIYDYXVRV-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc(OC)c1OC	1434154	SHQBWYWGSMHYCB-VULFUBBASA-N	451.454	3.868	50	40	JHGB	
Cc1c(Br)cc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1Br	1444774	WEFNZRYCSAJDJD-DNTJNYDQSA-N	470.121	3.990	50	40	JHGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccccc1OCC	4078195	JITGLFMBEDAXOO-ZWKOTPCHSA-N	486.575	3.882	50	40	JHGB	
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)[C@@H](O)c1ccccc1	9042664	KVFNVKMRDBRJJZ-BZMGOTJRSA-N	478.346	3.592	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1F	9086412	CHDSUBSQSICVMB-IBGZPJMESA-N	450.495	3.818	50	40	JHGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCCc1ccccc1	9762898	ZEMZIYNMLBKQDE-UHFFFAOYSA-N	470.529	3.860	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-]	28215592	QILGFMXHMCNXEG-DHRITJCHSA-N	450.426	3.824	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1OCC(=O)Nc1ccccc1C	408606741	APQXBPMMMJMNGW-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1C	844034	CXZOIDQMXPKXIM-XMMPIXPASA-N	459.502	3.836	50	40	JHGB	
C=CCc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])c1O	1092067	MNUIDLWRSUAYJJ-FOKLQQMPSA-N	484.310	3.800	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccnc3)n2-c2ccc(OC)cc2)cc1	1244239	DDFPQOQRVYSARC-PKAZHMFMSA-N	488.573	3.979	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19949986	CUELEELNAQAYET-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
COc1ccc(CC(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1	28223002	PSFZRTNZVLSYPR-HHHXNRCGSA-N	482.540	3.502	50	40	JHGB	
COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)/C(C#N)=C(/C)N)cc1Cl	34689724	FOCGLRMFTHDQLB-RLMUQCGHSA-N	456.911	3.744	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1cc(Cl)ccc1O	71335749	CHIXGSDIAVHNPS-NGYBGAFCSA-N	495.498	3.882	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(=O)O	408969985	YFOBTUSQAYTPRM-AUEPDCJTSA-N	491.294	3.830	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1	409160927	YBEMKUPSSVBHLU-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409363404	VWQDTJIDCVJQEZ-LGJNPRDNSA-N	452.442	3.884	50	40	JHGB	
CCC(=O)NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	15913560	QAFLDUHFPAKOFM-UHFFFAOYSA-N	485.993	3.902	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	20210466	ATTGFKSEGJYCMJ-YZSQISJMSA-N	481.574	3.581	50	40	JHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1	59435390	WZZPJBFEIAOLAY-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2O)C2CCCCC2)c(C)c1	109410726	GVQAFJIKSLTDGL-MYYYXRDXSA-N	457.596	3.791	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	408772704	FFUQGLMLQDCXQS-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408862169	FYKHTYVIFVRNLM-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
Cc1c(Br)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Br	409043424	QSJIDMKWCHQGTM-CNHKJKLMSA-N	457.078	3.898	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1	694862	KLQLXGSXURMJSL-WGOQTCKBSA-N	458.547	3.970	50	40	JHGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1cccc([N+](=O)[O-])c1	1054750	DSSUMQLECISSKH-UFWORHAWSA-N	456.094	3.682	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	13940588	PELIRZUZEGILKV-ZVHZXABRSA-N	477.970	3.512	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1OC	19949228	NFWLNEFVDQFYJW-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1	20212386	FVHNTFVTJOFDDO-OEAKJJBVSA-N	451.976	3.744	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC#N	33714939	KYUNUINARRYSCH-ZVBGSRNCSA-N	483.116	3.592	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	35078276	QYRQEAQPWRWMDH-WYMPLXKRSA-N	471.307	3.927	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)S(C)(=O)=O	408868082	MISDTAIJYXSOHL-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	408908750	YNGGLNPJORDVSF-FGAYPWGZSA-N	495.601	3.969	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccccc1C	409010866	FTYVMBALJLFIIY-JVWAILMASA-N	460.534	3.851	50	40	JHGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1	409019069	VQFQCPDYFJYWGH-ODDBZWQPSA-N	473.957	3.577	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)c1	409150706	DEPKMYYELYTLNN-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1OCC	409226825	WACQVXIUOBLROA-UHFFFAOYSA-N	491.500	3.540	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2C[C@H](CI)[n+]3cccc4cccc2c43)cc1	710744	ZVUCOYWNZGRFEK-INIZCTEOSA-N	465.336	3.621	50	40	JHGB	
COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)c2ccc(C)cc2)cc1	906852	SKCWXLDWUIVGEF-UHFFFAOYSA-N	487.585	3.728	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1691802	UJXZRBSIOHELMY-CZGKVYIXSA-N	495.279	3.581	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)o1	2057422	VBQHVAXUGGOHMS-YGPNGPECSA-N	484.534	3.759	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	2100558	QRGZLYRCKYLXJV-NFXIUMSZSA-N	479.566	3.924	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21	2318629	HFGVBKBUJXADAE-UHFFFAOYSA-N	487.535	3.716	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(N3CCCC3)c(C)c2)ccc1I	9763790	DEOJIGJIKWUAJC-LPYMAVHISA-N	463.319	3.972	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)cc1	12411018	KONOKQYJYPOHQV-MFKUBSTISA-N	490.354	3.834	50	40	JHGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Br)c(Br)s1	12698643	OWRZATRHVFJXNF-SSDOTTSWSA-N	466.126	3.641	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	19948691	IPYWDROMRKPDEV-WPWMEQJKSA-N	493.585	3.942	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	19950303	WWLOPLOSXXEHRO-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20207989	NTOMSKNQPMELER-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1	408662986	ONDBRTALWVLFFV-MKXGPGLRSA-N	489.355	3.905	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(I)c1OC	408887146	MIURJBFLJOCVKU-AWQFTUOYSA-N	497.314	3.692	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCC	408965133	GJPOSXLHJAVTQE-FOKLQQMPSA-N	481.265	3.863	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2cccc(Cl)c2)cc1	409113522	GPQCAPPIKZFJIG-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1	409264353	DVWGJYXBGHPWMG-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c1	2091276	CMUOYWLFYKWGQN-DEOSSOPVSA-N	473.529	3.643	50	40	JHGB	biogenic
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250403	ZUFJXXHTJDHFAX-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)c(Cl)c1	408615867	UAJMIUFALDXPQX-LLVKDONJSA-N	471.138	3.570	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(I)c1OCC	408752327	HUMAOLGGPQSCMW-RGVLZGJSSA-N	483.262	3.761	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408785137	XZSJRDAREPRXCA-KOEQRZSOSA-N	455.511	3.575	50	40	JHGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1	408844541	DNKIKMVQWDAGSW-WKIKZPBSSA-N	477.517	3.890	50	40	JHGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1\C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408868665	APGUVYQSYGYBBC-QINSGFPZSA-N	480.761	3.540	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408922510	ORQVBTBHMCRULT-FOKLQQMPSA-N	472.394	3.945	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1O	409110446	CDXYGXPVPUOSCE-PCLIKHOPSA-N	473.595	3.573	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(O)c1	409391774	LGSYXESXESDSNS-WSDLNYQXSA-N	452.379	3.773	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cc(Cl)ccc2C)cc1	16309523	JKAWDWOMBKLUIK-UHFFFAOYSA-N	496.976	3.625	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	19949309	SIKJBWRTIGTEQE-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)O	33351950	BRJFHCMHBUMIPA-AUWJEWJLSA-N	492.269	3.617	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1Br	408866274	GZYYBSYGFIEFMJ-FSJBWODESA-N	494.342	3.835	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)n1	409223912	GPJFQMGBFOQMML-WYMPLXKRSA-N	450.520	3.613	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	8780758	OJXXBIIWHKTNED-YDZHTSKRSA-N	475.343	3.728	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1OC	9088329	XRDDJDQOOWJPIK-SFHVURJKSA-N	467.547	3.813	50	40	JHGB	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc1C	9440410	ZQOFKUSYOYIUDE-UHFFFAOYSA-N	493.010	3.660	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NNC(=O)c1ccccc1	9665554	VVKSEJXONQRLJT-UHFFFAOYSA-N	467.938	3.793	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NN[C@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1	13148100	VFXDYUQZVMYOIV-HSZRJFAPSA-N	451.592	3.938	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C	15229251	INVDNQLHMPKFAZ-NRFANRHFSA-N	499.483	3.790	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C	33367337	GPOQKKKJWYONLY-QRVIBDJDSA-N	451.439	3.612	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)cc3O)n2-c2ccccc2)cc1	55389421	OTJTXKYARWIFFP-QFEZKATASA-N	475.530	3.597	50	40	JHGB	
COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)c([N+](=O)[O-])cc1OCc1ccccc1	253481767	IEEVPGYEIPMFHL-UHFFFAOYSA-N	465.491	3.770	50	40	JHGB	
Cc1cc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOCC3)[nH]c2cc1C	408604453	JJBMKEZJXJFPFP-DEDYPNTBSA-N	488.548	3.825	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408750152	XTDNTNHKTOUFPQ-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)OC	408793107	DBBNNICZWOFNJC-CXUHLZMHSA-N	472.881	3.623	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	408882495	OKWQUZZNBHGKKU-PCLIKHOPSA-N	496.545	3.728	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc(Br)c1OC	409366570	WHSXEJGOPKRYQY-UUYOSTAYSA-N	451.317	3.566	50	40	JHGB	
N#CC(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)=C1Nc2ccccc2N1	3286710	HTXJZPUDKCBRMF-UHFFFAOYSA-N	453.531	3.670	50	40	JHGB	
COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766237	XDIUZTCVXNCJQJ-HKUYNNGSSA-N	494.598	3.513	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCC(=O)OC	33668339	FICCNIFWHVJYQT-SSDVNMTOSA-N	457.464	3.524	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC	59333230	FAJMFRFRFRBTKR-ZHZULCJRSA-N	497.979	3.936	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Cl	408588188	IFXAXULONGLXRQ-ZVBGSRNCSA-N	473.698	3.524	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCC#N)c(OC)c2)ccc1I	408747155	JRQPCUZUGNGMJX-LSHDLFTRSA-N	499.692	3.628	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OC	408764676	MXJOGBCKPZYPHJ-UFFVCSGVSA-N	463.357	3.975	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409163731	XAIQPQUZTBVRML-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	409184527	LRSQPYTYACDBIB-UFFVCSGVSA-N	453.358	3.858	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1	409255012	GROKZDSVWPKKCT-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Br)cc3)s2)c1	1501932	NKUNBTQMSSWZTQ-SRZZPIQSSA-N	458.341	3.554	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	2648291	FBRFVZDUFFRFST-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(Cl)ccc1Oc1ccccc1	8991066	SDKCIMBBLBHMQW-IZQLPPHKSA-N	497.960	3.824	50	40	JHGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(OCC(N)=O)cc1	9293005	DJAXURQSDMZQFZ-DEOSSOPVSA-N	493.523	3.738	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1Cl)NNC(=O)c1cccs1	14945375	MBCMWACIVSCYFX-UHFFFAOYSA-N	470.967	3.598	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1	19956564	SSHXTHYDTAIUFX-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccnc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	20558459	CZOGMMZOAZBEAN-OAQYLSRUSA-N	460.490	3.747	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12	33957432	GPGJEJUNCOOXHD-ZPFHUIEHSA-N	474.529	3.521	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)c2C)cc1	58915333	XEKLWOZDUOJBHR-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC(=O)O	408566968	BYCDJETYBHERSH-AUEPDCJTSA-N	496.994	3.820	50	40	JHGB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1	409132880	KNLZZXAHPRDBOG-UHFFFAOYSA-N	497.358	3.533	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409189801	IVMMHAPROUPADJ-SDQBBNPISA-N	486.160	3.729	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1cccc(Cl)c1	409252289	ROGSVXLRJZVORU-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(F)cc1	409253127	YSVJETQNMTZQOA-AUWJEWJLSA-N	462.275	3.668	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1	2283967	TYGRRWBFUXRXCI-CZACTKFKSA-N	483.278	3.872	50	40	JHGB	
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	2658148	RHXUBOVXAAQFSW-UHFFFAOYSA-N	451.548	3.757	50	40	JHGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)cc(OC)c1OC	9187186	DFMAFHKILLZFLQ-ATJXCDBQSA-N	482.496	3.776	50	40	JHGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(OCC(N)=O)cc1	9293006	DJAXURQSDMZQFZ-XMMPIXPASA-N	493.523	3.738	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	20060104	DNZIBZMVHARAKK-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1	108054234	LHYQSNFLGSNOHP-UYRXBGFRSA-N	498.377	3.795	50	40	JHGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O	195509086	BJZZQJFYKQPUGO-OKZBNKHCSA-N	469.618	3.749	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@@H]12	245241501	GPGJEJUNCOOXHD-IMNXNFFNSA-N	474.529	3.521	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O	408650324	MIPBDBOTFGBQPW-QGZVFWFLSA-N	451.281	3.866	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408860558	YEZWLOXZSUDFJN-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1C	409005970	GRUSIBPUVNFHDC-QFEZKATASA-N	462.462	3.693	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccccc2)cc1	1275614	HJBKFOPPKKPBGZ-MFKUBSTISA-N	459.531	3.891	50	40	JHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	8686424	DENLZIAJQZBMBG-NEOOYVHHSA-N	451.548	3.747	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1OC	12275311	ORSOZSWNMIROIY-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	15900609	ZMESQFIOBNXMGU-UHFFFAOYSA-N	487.666	3.548	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(Nc2ccccc2)cc1	16136800	FPAFSUZJZVNHQM-STBIYBPSSA-N	459.506	3.898	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	58918328	CWEGDWLTPZFWED-BUVRLJJBSA-N	457.552	3.893	50	40	JHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)c1	108258825	XMAYTGHSVQOCOG-FMCGGJTJSA-N	464.507	3.875	50	40	JHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	409006512	OJDGHVBZJXPRTD-MTDXEUNCSA-N	495.576	3.956	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1Cl	409160849	XLYAKMMIEOKDBZ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	409164725	MVEYYIPYRVDHMY-JFLMPSFJSA-N	478.505	3.761	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409175645	UDLWPYIGPGKMHP-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	409218290	HPXZCQANGXPEDW-XGAOGLQDSA-N	490.428	3.894	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c(C)c1	409269242	HONHYUDVXMQXLK-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21	409358094	KEVKUGQPUSWGDB-BRJLIKDPSA-N	471.355	3.838	50	40	JHGB	
CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)c(Br)c1	2551800	IWULIRACHGSWGQ-UHFFFAOYSA-N	456.406	3.554	50	40	JHGB	
CCCCCn1nc(C(=O)NNC(=O)c2cc3ccc(OC)cc3nc2C)c2ccccc2c1=O	17398174	LYEDZTVKYBGZLM-UHFFFAOYSA-N	473.533	3.527	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	19951543	OXEYSUDFMFJLFV-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58881753	HMDGXPVTKIFQFC-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1	59382980	GVLVGIRHYOMSKZ-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	100959313	QUNRDYCPVGRBCD-CNSRZQHFSA-N	496.972	3.698	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OCC	408972396	SWBUOWWCCRFOLR-YZSQISJMSA-N	491.585	3.564	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCC#N	409011205	FHMFDYFTVASEIK-IIPRTONHSA-N	494.592	3.665	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1	900162	ZHGMVKQRVBSTAA-UHFFFAOYSA-N	494.964	3.545	50	40	JHGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC	2163783	JQFXMYUGYCRDIV-GOSISDBHSA-N	457.324	3.921	50	40	JHGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3085448	LGNGCKJSADNPBU-ZMOGYAJESA-N	461.390	3.696	50	40	JHGB	
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	9546007	OGEXDQMKGCWLGR-JXMROGBWSA-N	485.650	3.628	50	40	JHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)CC1	12598678	WLDPWQWGCZIYRQ-UHFFFAOYSA-N	462.575	3.740	50	40	JHGB	
C[C@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)cc1	16185860	LXTBFSMZVZUETA-LNKGRISISA-N	476.716	3.744	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC	89424204	RZTPNVOMFYDTTK-MLPAPPSSSA-N	478.242	3.552	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1	408776239	XJNJNPGOOIVNTP-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	408934954	DTWDJEMOWYRRQO-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2)cc1	408974164	CXZGAXHUZRZNEW-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc(Cl)ccc2O)c2ccccc2)cc1	408982410	XVCSPPBDTLIFLK-XAOCGEIJSA-N	471.966	3.914	50	40	JHGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409001997	LLGLYRDKNNADEB-OQJVKWLYSA-N	459.418	3.919	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2cccc(Cl)c2)cc1	409070821	NICZCCADBMESRW-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1Br	1435120	QRMREMAZLNXYEQ-ZMOGYAJESA-N	454.280	3.836	50	40	JHGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3081149	OBEKCZCIPHHIMU-BRJLIKDPSA-N	497.851	3.829	50	40	JHGB	
CC1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)CC1	9381937	PCKZAJWYJXXZPD-UHFFFAOYSA-N	466.535	3.752	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(SC)cc1)S(=O)(=O)c1ccccc1	20214359	QFVPGSJIXPWBCT-LFVJCYFKSA-N	469.588	3.763	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	38162232	SEDBVLNUWYKSOO-ZVHZXABRSA-N	474.502	3.791	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	58926093	SGLGABIAYHJGQY-AFUMVMLFSA-N	485.949	3.768	50	40	JHGB	
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	70039084	JIKYEJYEDPLNTN-KBXCAEBGSA-N	462.344	3.551	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C#N)c1C	408546103	DCYDMSSTPAIBNM-LICLKQGHSA-N	494.529	3.568	50	40	JHGB	
CN(C(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1)C1CCCCC1	408682515	JKCAWMNWWDYXFJ-YRYYUTHUSA-N	475.383	3.601	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1	409264202	PSGJFAMVCHXZCP-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1	409265699	OAEJCYSQGMJIIF-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
O=C(O)CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	409334569	HFTQAULNKXWUQN-UBCTUXONSA-N	459.502	3.552	50	40	JHGB	
C[C@H]([C@H](Br)C(=O)OC(=O)[C@@H](Br)[C@H](C)C(F)(F)F)C(F)(F)F	885164010	AQSVLWTYQRVDST-FSIIMWSLSA-N	451.983	3.980	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9113436	XVTWXSQLOHLZOW-PKTZIBPZSA-N	453.477	3.888	50	40	JHGB	
COc1ccccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccs1	9224253	GBWCPNHYVUONSR-UHFFFAOYSA-N	465.560	3.558	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(Br)cc1	12994590	PCLRBGLVYNSZFF-UHFFFAOYSA-N	452.355	3.504	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3cccnc3)c2)cc1Cl	14201580	PGLSENFSVAESBI-UHFFFAOYSA-N	479.345	3.572	50	40	JHGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3Cl)c3ccccc32)cc1	46084802	YIQWCLPAMKLJRE-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	59443695	LVDXMGNWKWKRDG-XIEYBQDHSA-N	458.584	3.518	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)C4CCCCC4)n12)CCCC3	100386132	MXIMZVYCNCXSPG-UHFFFAOYSA-N	472.640	3.600	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccco2)c(C)c1	108149212	PJIJACNSVDISQY-XYGWBWBKSA-N	453.564	3.589	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(Cl)cc2)cc1	408909818	IJNKYTYGNIKGSK-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	409028004	XTGYERJJYIKHAV-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(C)cc2)cc1	409219508	RHLRHBAXJMAPJP-QFEZKATASA-N	460.446	3.845	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccccc1Cl	409259758	DWNGLANBIOPUAT-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc(OC)c1OC	15162524	IPWRDFRULXIMQJ-QFIPXVFZSA-N	476.489	3.925	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	19926336	TZHCRHLCUOTNHI-PCLIKHOPSA-N	470.982	3.752	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	20060547	YJPQYCAMSZMASC-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1	20213373	TUQDJWZWPDKEBP-BRJLIKDPSA-N	489.903	3.840	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccccc2)cc1	20231818	CLLBXUCJDXWORY-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21	101559530	LIRRFDUKFCJTIG-WCTVFOPTSA-N	456.546	3.919	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1	408609719	RRHXCYDKEAKCPZ-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc4c3OCCO4)cc2)CC1	408862043	HTDVZEABFYOSTP-VUTHCHCSSA-N	486.572	3.553	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)C2=C1CC(C)(C)CC2=O	409134007	OGVGMBICNXQMKI-LJQANCHMSA-N	460.372	3.840	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl	409154361	GYLJYBNJSWKMSW-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)ccc1OCc1ccccc1	409325681	ZOQGFZVPQNDEJJ-WKIKZPBSSA-N	467.909	3.556	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cc(Cl)cc(Cl)c1	2176163	XVOGIYVHGAHQMP-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)/C=C/c1ccc(F)cc1	12284792	FIHWYQWRDJXOHF-QPJJXVBHSA-N	486.135	3.899	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1	13777533	IVHFQYCPEITTKP-HKWRFOASSA-N	483.615	3.700	50	40	JHGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1	19682741	LOHULWFXHVGOAZ-LFVJCYFKSA-N	463.807	3.761	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	58918257	GZHQYBUMBWLUQQ-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2Br)cc1	59437415	XVIRHCCKKPQFHW-WYMPLXKRSA-N	454.280	3.885	50	40	JHGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1	3427767	GQWYZUWBUFUYJR-UHFFFAOYSA-N	483.615	3.917	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	19953083	FBLVFZVZFSYQGR-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59435631	RNPUNUUDSBQGBU-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Cl)c2)cc1	59443958	NTMIOHLSLZEYJO-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NNC(=O)c1cccc(Cl)c1)CC2	96402262	VGENUGHTDVAJEF-RUZDIDTESA-N	479.964	3.766	50	40	JHGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1C=C[C@@H]3[C@H]3[C@H](Br)[C@H](Br)[C@@H]31)C2	104291217	QLKUDAZHTILURQ-HHTZJKQLSA-N	499.247	3.637	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1	108308580	JRWAASGCUCVPPA-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)c1	408742868	CHMANSBMKHVLCS-ZSOIEALJSA-N	462.243	3.609	50	40	JHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC	408764581	UTXGUHUKCXCREA-UFFVCSGVSA-N	463.357	3.975	50	40	JHGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2C)ccc1I	408773871	MSFLNPAKMSTSNH-PDGQHHTCSA-N	475.330	3.773	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1O	3144890	LHVMRODYVSVWMN-MZJWZYIUSA-N	496.361	3.562	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)cc1	6073825	DHPYDJKGKRNSSI-CVKSISIWSA-N	498.992	3.640	50	40	JHGB	
CCOC(=O)[C@H](NC(=O)c1ccc(C)c(N(CCCl)CCCl)c1)[C@H](O)c1ccccc1	6089423	MPAQGQNPHJFAHN-NHCUHLMSSA-N	467.393	3.674	50	40	JHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3ccc(Br)cc3)cc12	8741168	YAPFBHJDXWUWSP-WYMPLXKRSA-N	472.339	3.955	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	8812567	DVSIYGPMDOCHBJ-SRZZPIQSSA-N	466.129	3.996	50	40	JHGB	
C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1	9128468	HCVNJUWLPJSHBX-APWZRJJASA-N	450.568	3.645	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1ccc(Br)cc1	9217755	QWEBTPHCZNTPCO-UHFFFAOYSA-N	495.786	3.850	50	40	JHGB	
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	9730123	KPZWFPQXDINDCO-UHFFFAOYSA-N	484.468	3.736	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)NNC(=O)c1cccs1	9882238	IEEHEQNTPIZEPX-UHFFFAOYSA-N	488.953	3.793	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1C	20214243	DHYXDZONQVBDJU-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1ccc(NC(=S)NNC(=O)c2cc(Br)cc(Br)c2O)cc1	39630139	CDFIOGFLDVNQRH-UHFFFAOYSA-N	475.162	3.557	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1	211032072	LQGIHDLZENAFQF-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1ccccc1Cl	408609879	LWSQLQDPWOKEGS-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	408684764	NZDHVPDYIQKWQO-KSCVBYKOSA-N	473.298	3.588	50	40	JHGB	
O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408732579	SBGNDZVRKLSWPU-SSDVNMTOSA-N	483.897	3.808	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409125989	KXSWODNWJTWFQH-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	2163119	ZNXKIDWHUQARAZ-KIBLKLHPSA-N	491.287	3.807	50	40	JHGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br	12039632	YQIRJWGMYHXZSA-UHFFFAOYSA-N	470.323	3.547	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20208171	CWRGWOKMXZIEHO-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
C[C@@H]1CCc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)nc2C1	97961174	JXTDOPMGIPAMGK-CYBMUJFWSA-N	476.451	3.989	50	40	JHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC	408565746	ABNYOTMSCURLKE-KEBDBYFISA-N	452.261	3.537	50	40	JHGB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br	408606238	PIKOAAHJUAXBDI-INIZCTEOSA-N	463.357	3.794	50	40	JHGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1	408728201	WMGAGLVUTPZLNV-ITYLOYPMSA-N	463.559	3.982	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2C)cc1	408779457	FBYLZVOQFRBIDQ-MFKUBSTISA-N	451.548	3.663	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408877504	WITKLCRLSAFPSU-LGUFXXKBSA-N	479.558	3.502	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc12	408991311	QDKWZTAPCHSWLE-MIXYLYFISA-N	471.517	3.559	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409261563	DAFTXKAPRIGQAI-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1C	409264223	PVKWVNYNLUXWIW-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1	409272331	PRDYJOWIYBFEHJ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCCCCCc1cc2cc(C(=N)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O	1881662	TYXZYEKNPHAKQN-UHFFFAOYSA-N	452.467	3.790	50	40	JHGB	biogenic
O=C(CCCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccc(F)cc1	3661996	QNNXNZYNVZNBLC-CIAFOILYSA-N	453.255	3.689	50	40	JHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc3cccs3)C(C)C)o2)c1	3764536	NXPJSLIOHFBCTA-PWYGXMRTSA-N	467.547	3.628	50	40	JHGB	
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)n21	6232592	PNOVWVLGAQWXLX-UHFFFAOYSA-N	487.585	3.708	50	40	JHGB	
O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9381924	GJAMJQJRJFTKSD-UHFFFAOYSA-N	452.508	3.506	50	40	JHGB	
CCn1c(NNC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)nc2ccccc2c1=O	11163198	GMUGCRBIFDEILX-UHFFFAOYSA-N	498.465	3.564	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)o1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	13305700	GSBBGGDYOKKZFT-WVVFEJFTSA-N	483.278	3.872	50	40	JHGB	
Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1	13758597	GYXUCZYLMIFVSB-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1	33880926	GPCTTYHVBJBFNE-STZFKDTASA-N	452.507	3.511	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC	37020480	BPRXEEPGRVPNNP-JMIUGGIZSA-N	456.134	3.922	50	40	JHGB	
COc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O	58984134	OEEPXGBTZJJBEM-MYYYXRDXSA-N	459.531	3.891	50	40	JHGB	
CCn1c(NNC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)nc2ccccc2c1=O	104717430	IEVHGGAHCYQYQD-ZNAOMFPMSA-N	459.388	3.984	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	408725732	HBKKZYXYLZGJNN-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1	408907502	PMGMBPOXESVWJK-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1	409011946	ICRXNQRXXCNQLQ-NTFVMDSBSA-N	491.544	3.949	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1cccc(Cl)c1	409266013	JCACVQVCBANTTM-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1)c1cccc(Br)c1	1435337	OLDMBEPZSRCYJY-RNRKLAHPSA-N	481.302	3.958	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1	9232898	JZZUSFTZMNPKNK-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)cc1	14921908	TYWATFVRDZUMFC-AFUMVMLFSA-N	475.343	3.616	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	15226138	AFZOAYUGMUSADN-ZXVVBBHZSA-N	479.602	3.777	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(Cl)cc2C)cc1	20206873	FXORIDKSZPFUSW-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl	59332985	HJTYKSQGMNUSEA-BOPFTXTBSA-N	474.344	3.801	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/CC(=O)CC(C)(C)C3)cc2)cc1	100557548	LYGNZPQZCDHCIZ-QQTULTPQSA-N	455.580	3.681	50	40	JHGB	
COc1ccc(/C=C/C(O)=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC	101924509	FVVJWYSZZNNKCQ-HHYHAGCXSA-N	459.506	3.627	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)ccc1OC	408603221	FDJWUCBMIBTBKG-OAQYLSRUSA-N	462.531	3.789	50	40	JHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408613019	YIICCZHCGVPDOR-LSHDLFTRSA-N	452.736	3.656	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408780980	PCNWRSAKYIJXGV-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	408855280	BQHNBDAGTIJCRA-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408856543	KGOUQAJYQNJOBY-JJFYIABZSA-N	492.269	3.743	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccccc1	408880496	KFHQEJKYTVJGKG-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1	408907493	PGOMZWMBMSSPMT-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C	409160785	XDTMCJRHKXYULD-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1	2262267	OOXQTSAMERAJPL-UHFFFAOYSA-N	468.652	3.839	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	2310370	IKAFJXVDIILFRV-LEWJYISDSA-N	465.531	3.954	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1OC	3144254	BTLFIZWHBKXZAN-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCCc3cccs3)cc2)cc1	9442462	SCVLLLUNIMWKIM-UHFFFAOYSA-N	487.603	3.732	50	40	JHGB	
C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1	12137333	POZXPNMTQIRSIV-UHFFFAOYSA-N	491.569	3.659	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	16478978	KRYMLOCOVNFNCV-KOEQRZSOSA-N	455.967	3.724	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1	19955723	QAWRLGQVGBSXIS-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	58913632	BKWQZAAXYPKHTP-DHRITJCHSA-N	499.365	3.963	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	59435874	MMSDNFSYMXVCOU-WGOQTCKBSA-N	473.957	3.863	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)cc1	101178646	GLFRQPKIBJEYPJ-HGBKYHTQSA-N	456.365	3.930	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)ccc1OCc1ccccc1	409183654	FIIDFGIMEJNDQT-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1	409410409	WONDTSJQQVJAGY-WZBLMQSHSA-N	465.849	3.608	50	40	JHGB	
COc1ccc(OC)c([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	662454	KIJSQHNXKYTOLM-ZCYQVOJMSA-N	451.530	3.629	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Br)cc1	1790830	WUFRRPVCCWCCEF-HGBKYHTQSA-N	456.365	3.930	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1OC	2360503	LJUKXJGGQPXJBX-QFIPXVFZSA-N	473.529	3.757	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)CNc2cccc(C)c2)c1O	2743057	ZRZBWBNNTKEIET-ODCIPOBUSA-N	471.149	3.796	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1[N+](=O)[O-]	6134808	MVAVAXNVUZMDCJ-HTHFWCIQSA-N	481.509	3.528	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)c2)c(C)c1	6165946	URIZHYJQDBKZTH-ZVHZXABRSA-N	451.504	3.566	50	40	JHGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)[C@@H](NC(=O)Cc3ccccc3)C(C)C)cc12	12685744	STXZSHYASCPDQS-QHCPKHFHSA-N	489.601	3.540	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	16309492	BKICVFHMIFHHIJ-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1	408907529	QEZOYQARZQEWEI-ODCIPOBUSA-N	452.722	3.702	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409269961	MRPFTUSIEFZRQU-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
O=C(Cc1ccc(N(CCCl)CCCl)cc1)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O	799089	XJRKDTNXNNSYTM-IBGZPJMESA-N	457.785	3.979	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2)cc1	2078440	FGXSBNRJCUFXEX-ZVHZXABRSA-N	458.923	3.945	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1	3376827	LWLBOLYRXRZSRT-UHFFFAOYSA-N	488.363	3.633	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(OC)c1	9311392	WSRLCKDSRUKUTC-LPYMAVHISA-N	481.334	3.919	50	40	JHGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1	9345868	MSBWQPGDXBIXSQ-ORTNRGLGSA-N	489.601	3.613	50	40	JHGB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)C(C)C)c1	9532320	OMLBNDNOXJRSBA-QFIPXVFZSA-N	499.564	3.787	50	40	JHGB	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(Cl)c(NC(=O)c2cccs2)c1	23914199	WYAQAPQVBWOXPH-UHFFFAOYSA-N	467.732	3.819	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59500506	HLQCQMWQHCTCAL-YSMPRRRNSA-N	490.472	3.935	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCC	408725122	FLXJWFVIZRQFHS-AUEPDCJTSA-N	464.316	3.537	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	408726203	JUHKSIXCRUVZDU-OVVQPSECSA-N	478.574	3.765	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	408783828	NLURYFOVSGRMOC-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2C)c1	408968819	ZNYRALJJKZHHRL-YUMHPJSZSA-N	462.550	3.866	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409110994	AMRSWDKWMBJIIG-OVVQPSECSA-N	478.574	3.933	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409258608	YHAIJDASTPIMPC-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2)cc1	409268980	CHXHDDLKJNFDET-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OC(C)C	954754	LDNDPMBWRUCGFI-JALYYJSPSA-N	468.579	3.529	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl	2201231	GRLLJAGISFXCBR-IBGZPJMESA-N	453.951	3.955	50	40	JHGB	
CCOC(=O)C1=C(O)NC(SCC(=O)C2CC2)=C(C#N)[C@@H]1c1ccc(Br)cc1	2354212	QFDZGZOUISFIQJ-INIZCTEOSA-N	463.353	3.916	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1F	9109728	YWQRGRVHELYBSO-PMACEKPBSA-N	487.940	3.979	50	40	JHGB	
O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	9970100	GEHDHIYQHNLAJD-BRJLIKDPSA-N	452.850	3.817	50	40	JHGB	
COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC	100301833	BWCLAZDZPKTQIT-SAXPKGLRSA-N	499.571	3.764	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(C(=O)O)o1	107962076	FQQLXYASOOFTJD-UVHMKAGCSA-N	475.457	3.643	50	40	JHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3OC)c2C)cc1	408868931	QRGBJXTTWYYGHY-CVKSISIWSA-N	464.522	3.599	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2OC)nnc1-c1ccc(Cl)cc1	1259604	LLZRKIZAZIACSH-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c2ccccc21	1783989	LOKAJDGPVOGJOF-FAJYDZGRSA-N	485.569	3.711	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(O)c(OCC)c4)CC(=O)N32)cc1	12275243	QWWLVYUSIMTMDQ-HOYKHHGWSA-N	452.532	3.833	50	40	JHGB	
COc1cc(CC(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)cc(OC)c1OC	12670749	VIEVQLRFVBPNJG-UHFFFAOYSA-N	459.351	3.501	50	40	JHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)c1OC	12867998	UDDHPMVQZDQPOY-HNNXBMFYSA-N	455.536	3.673	50	40	JHGB	
Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)sc2nc3n(c(=O)c12)CCCCC3	16174952	XAFOAFXUNLHYSU-UHFFFAOYSA-N	470.620	3.898	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20209568	UHUGCSZRHKBNAD-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OC	33959159	RZGAXGMPDJYFEJ-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	408613295	YSBRZFCMIOBHKM-RWPZCVJISA-N	481.936	3.703	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	409184954	IRMCXMOFHVDTHA-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccncc2)nnc1-c1ccncc1	409189287	OSLSVWFNYOVWAD-AFUMVMLFSA-N	474.506	3.578	50	40	JHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)c1ccncc1	3361081	VPDOKRTVDVTEOE-UHFFFAOYSA-N	498.870	3.629	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8820539	FPYWHBDNWFFNDM-LWZSUBOQSA-N	496.570	3.594	50	40	JHGB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)CC1	9075785	QQCLROIOVNXHCM-OBGWFSINSA-N	456.575	3.819	50	40	JHGB	
C/C(=N/NC(=O)CO/N=C/c1ccccc1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1	16136593	PXZFFUSDPBIXJN-FKYSUKIDSA-N	455.729	3.886	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	20214098	AZERZYRESKWUIZ-HYARGMPZSA-N	482.400	3.544	50	40	JHGB	
CCCOc1ccc([C@@H](C)NC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1OCCC	40024119	QWKSELBZRZWKGX-MRXNPFEDSA-N	453.543	3.926	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)cc1	58853386	HVDUNQFKBXIHJQ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	408765165	WXQDHPJNCPFLOF-MFKUBSTISA-N	462.462	3.775	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)c(OC)c1	408784235	ADDCBWIQVVCFBK-JVWAILMASA-N	491.569	3.927	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	409027360	CUWRVMFQUKJEFM-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1	409176267	ZNOBYVGQYQROHH-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	3286437	RVCVZKWYGUCYKU-FOKLQQMPSA-N	480.329	3.969	50	40	JHGB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	9591327	WCLIWWZCYOASFQ-VQIMIIECSA-N	477.344	3.565	50	40	JHGB	
O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)NNC(=O)C1CCCCC1	13502567	KLQCBRSNHMOJIP-UHFFFAOYSA-N	484.651	3.915	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)COc2cccc(C)c2)cc1OC	14841800	UTVFXBXHYSQHAZ-UHFFFAOYSA-N	486.528	3.705	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cc(C)cc(C)c2)cc1	408778241	CJGBHMSXEMWMPC-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(Br)cc1	408852697	VRPKIBVAKDZPBI-GRSHGNNSSA-N	472.137	3.797	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)c1	409127211	CPPYDGGDNBGTCA-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2)cc1	409157989	WRNQHXWMWRRMEI-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409268379	ZJJINICFSRRULE-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1	892234	OQQHQYKNLRONOY-UHFFFAOYSA-N	489.557	3.505	50	40	JHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	1474014	UAKXSVOFTGDMSL-AFUMVMLFSA-N	473.514	3.845	50	40	JHGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccco1	2234578	IVXSNVIHTTVZLF-GHRIWEEISA-N	456.458	3.620	50	40	JHGB	
O=C(NNC(=O)c1ccc(Br)o1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	2634940	WHMAVXYUTCNMNZ-UHFFFAOYSA-N	498.742	3.571	50	40	JHGB	
CCCCC(=O)NNC=C1C(=O)N(c2ccccc2C)C(=S)N(c2ccccc2C)C1=O	9066482	CLUMQXVNPPAMLW-UHFFFAOYSA-N	450.564	3.663	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1	19950719	ROWOMCNKWCREIW-YZSQISJMSA-N	497.573	3.535	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cccc1[N+](=O)[O-]	28215580	AXWFDGFPRFNOAR-GTPWMTBTSA-N	460.490	3.923	50	40	JHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	59334192	UKHXVWNUEKIRME-SXGWCWSVSA-N	476.270	3.564	50	40	JHGB	
O=C(N/N=C/c1ccccc1I)c1cccc(I)c1	408551142	LJKWVJHVGKTJTG-RQZCQDPDSA-N	476.055	3.660	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC	409006658	QQKCODJVUCJUHW-WGOQTCKBSA-N	455.942	3.916	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C	409153528	LPJDQSVSEDBGCU-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	409316193	XYUCQXHWTZPLEB-QGZVFWFLSA-N	455.923	3.837	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(Br)cc1	726384	MOOWSEPWCNOHOO-UFFVCSGVSA-N	478.759	3.899	50	40	JHGB	
O=C(COc1ccc2cc(Br)ccc2c1)NNC(=S)NCCc1ccccc1	2794002	MHQRZKQMJJRWOV-UHFFFAOYSA-N	458.381	3.719	50	40	JHGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	3449081	BSQOFEVOCNNGOR-WGOQTCKBSA-N	482.558	3.863	50	40	JHGB	
O=C(NN/C=C1\OC(=O)c2ccccc21)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	8781603	VCQXXSMSFPKRQL-PXNMLYILSA-N	476.329	3.972	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	9289462	CCUVHZVRZXCOKB-CVKSISIWSA-N	493.472	3.533	50	40	JHGB	
O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1	9305986	BUQJXEQICLYOIF-MZJWZYIUSA-N	496.361	3.673	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9350200	KUBSSJAJUVHOGS-FQEVSTJZSA-N	478.505	3.728	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC)cc1	9380123	JUKMWTVWMSQKNU-HMAPJEAMSA-N	454.512	3.514	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1	12250307	YKRMXONVHLIVOA-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	15231218	DMVXBZURCNNUFE-GTPWMTBTSA-N	486.569	3.547	50	40	JHGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3cc(OC)ccc3OC)o2)c(C)c1	22741900	AILSNXHRTMDVRR-AFUMVMLFSA-N	484.578	3.822	50	40	JHGB	
CCOC(=O)[C@H]1C(SCC(=O)c2ccc([N+](=O)[O-])cc2)=NC(N)=C(C#N)C12CCCCC2	28465166	POEWZZLKZFROLZ-GOSISDBHSA-N	456.524	3.746	50	40	JHGB	
O=C(COCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1)N/N=C\c1ccc(Cl)cc1Cl	31723765	AZTDNORIHJGXDV-CSIFFYRKSA-N	476.147	3.917	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	408870679	WKCAVLRBPFMQIZ-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408971247	HTNCZPCECIJNBA-WTFDWONZSA-N	469.582	3.852	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1	409220352	XPINYXYPOLHCOX-QRVIBDJDSA-N	450.407	3.519	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccccc2)cc1	409226686	RBDXPGDYSQXQOO-QPFJXIFFSA-N	472.457	3.936	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)cc2)cc(OC)c1OC	1197680	UYDFHHFYSTVSKV-RWPZCVJISA-N	477.517	3.802	50	40	JHGB	
CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)sc(C)c1CC	9464010	SUONQCCDKCHMHE-SFQUDFHCSA-N	469.563	3.951	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCCC2)cc1OC	9846978	BTRWHULOWLINHF-UHFFFAOYSA-N	487.622	3.764	50	40	JHGB	
O=C(CCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccccc1	9851396	ZLOXFEMAZUZBGC-UHFFFAOYSA-N	461.362	3.582	50	40	JHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2c(C)cc(Br)cc2C)c1O	16102532	PEROORVBMMWETI-NKVSQWTQSA-N	466.288	3.608	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(I)c1O	30843491	IOKXJFLEXJZDBA-FBHDLOMBSA-N	468.291	3.541	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(I)cc1	33572876	SQODOJNGICHMHD-BKUYFWCQSA-N	474.258	3.683	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21	33957433	GPGJEJUNCOOXHD-FWSAUUMWSA-N	474.529	3.521	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1	59444614	FUNOBAFEOPYYPI-UHFFFAOYSA-N	464.385	3.686	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2	408726622	NAHDUMRKGCNJTI-NLRVBDNBSA-N	479.558	3.578	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cc(C)ccc2C)cc1	408860616	AEKAUZCCVPCQDM-OGLMXYFKSA-N	490.585	3.860	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	409154460	AYKGOOUYTPTHKS-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1OC	1083103523	MNTSIKKEFLCZBA-FDDCHVKYSA-N	456.926	3.830	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc(I)c1O	682804	NSYVQZSLBQUIBA-UFFVCSGVSA-N	477.258	3.733	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1	12276063	JDVHMQUIHKWVMH-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)OC3)c2ccccc21	12412007	FRSNZFNKYXUUCK-QHCPKHFHSA-N	467.312	3.623	50	40	JHGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	13401026	SINFKHOUYHFBFM-FMIVXFBMSA-N	472.866	3.701	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816742	KDVSZYYCKHIUCY-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	19949755	TWJXHBAMCPVGRY-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1	59436964	MPZQYWFIBWCFLA-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	221649256	FLUOXYYHOLUFCD-UHFFFAOYSA-N	452.308	3.705	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	408761381	JGITXTCKBDTSIS-JFLMPSFJSA-N	470.441	3.891	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(C)cc2)cc1	408908946	ZENHJYQDBJZOMT-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408943482	SUTHPTLSQUTSPS-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C	409138324	ZXGDABMCPNYBSK-MFKUBSTISA-N	452.580	3.871	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)c1	409169396	QDYVVMBEKILWCU-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1	1392574	BSWWHGFDLXIWBC-FUSXGNCQSA-N	481.858	3.873	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)cc1OCC(=O)O	16688176	ASHUFFRNIJUUGG-QFIPXVFZSA-N	480.908	3.914	50	40	JHGB	
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1(c2ccc(Br)cc2)CCCC1	62626023	XJTTUEQRPUZBKW-UHFFFAOYSA-N	478.412	3.845	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408613485	ZVXZGSMMXTWPCJ-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)c1	408657782	HPMRZLKCJFUVLU-WTGUMLROSA-N	489.355	3.905	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C	409006222	IDMLIYUNGWNDGW-QFEZKATASA-N	462.462	3.693	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409159550	NKIHNUHQOURKSR-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1	409260311	OKMBFPLKJRXASW-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c1C	409270913	IQOBVCUHPIVIGC-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Br)cc1	3170333	KVSLANRGBKGWHE-CVKSISIWSA-N	450.336	3.848	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	9540268	FSXNYBYXLFCXMK-MFKUBSTISA-N	495.517	3.508	50	40	JHGB	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)Cc1nc(-c2ccccc2)cs1	10600561	ZTOOTHWKVJYJNA-UHFFFAOYSA-N	467.938	3.836	50	40	JHGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1	12250187	GZGWCDFSPMPXIZ-HXUWFJFHSA-N	472.563	3.684	50	40	JHGB	
O=C(CCCC(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	31670069	UJXZRBSIOHELMY-KRPUJQTQSA-N	495.279	3.581	50	40	JHGB	
CCOc1c(I)cc(/C=N\NC(=O)CC2(C)SCCS2)cc1OC	32116896	FTRBTMADYHVJFP-ZDLGFXPLSA-N	480.393	3.735	50	40	JHGB	
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc12	39976155	QIWMTNPNPXNBGD-OAHLLOKOSA-N	477.521	3.694	50	40	JHGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	58872727	JSDVDCNQWFQTSI-AXNZHVIBSA-N	455.518	3.663	50	40	JHGB	
O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	408663288	NAPUXVDUBUQZBR-UHFFFAOYSA-N	479.920	3.789	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cl)c1	408741840	SGIPFQAEQUZNIQ-KXQYEYADSA-N	493.976	3.527	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408923270	VJSQFSGJEIJORO-AEOXGOBCSA-N	458.367	3.697	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409184475	LKCUUXVTAKYFEM-JVWAILMASA-N	481.618	3.776	50	40	JHGB	
O=C(COc1ccccc1Cn1cnc(Cl)c1Cl)NNC(=O)c1ccc(Cl)cc1	2155627	GZTYRKWDIQJFCO-UHFFFAOYSA-N	453.713	3.732	50	40	JHGB	
O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1	2629215	ADCPJJVCLYHRJT-UHFFFAOYSA-N	467.938	3.793	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(N(C)C)cc1	2743255	RNFUGXIWDYAQPO-CVKSISIWSA-N	463.611	3.693	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1	8439813	KGOUZIJDMOADIE-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OC(C)C	8812381	KJEBIDPRTFTXOM-UFFVCSGVSA-N	456.255	3.990	50	40	JHGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccco2)c1	9910959	RGHOYFVZCCCICL-UHFFFAOYSA-N	455.536	3.761	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC	14186208	RKXDAVMSFALMPV-KOEQRZSOSA-N	467.547	3.683	50	40	JHGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nc3ccccc32)cc1	16712347	LWXSIMKCMRQGHX-UHFFFAOYSA-N	455.543	3.958	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1	20211898	AHAAIZACBNGKEE-CVKSISIWSA-N	469.538	3.629	50	40	JHGB	
N#CC1=C(N)OC2=C([C@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558224	OJRGJQLWJQUYRM-QFIPXVFZSA-N	457.511	3.919	50	40	JHGB	
COC(=O)[C@H](CCI)NC(=O)OCC1c2ccccc2-c2ccccc21	230828406	RAPINIFWJKOFMR-SFHVURJKSA-N	465.287	3.892	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1	408664949	QAWCLRBCWNFRGB-YRPNKDGESA-N	489.355	3.905	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)c1	408861519	BOACHPRXVQTPDF-JJIBRWJFSA-N	487.603	3.809	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)c2C)c1	408862598	HSPUYWFSLKFBCW-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc(OC)c1O	409014585	NDGXMHPQIOBZGY-WSSSDRMFSA-N	487.984	3.843	50	40	JHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccc(I)cc1	3083855	MXLQOJYSHGSGJW-RGVLZGJSSA-N	455.683	3.814	50	40	JHGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	3269236	PAAMURWQHGLORI-FOKLQQMPSA-N	480.329	3.969	50	40	JHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1	13981225	PLKVBFATMHIPJR-CMNXJCJSSA-N	486.572	3.978	50	40	JHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)c1	34767628	XNUFAKLMJSPYAX-FMCGGJTJSA-N	464.507	3.875	50	40	JHGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCCCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	95681971	WPMBQBQHGISREI-UHFFFAOYSA-N	474.389	3.867	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1cccc(Br)c1	408778900	ZJYUHWDCEAQVOH-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(I)c1O	408973164	ZKGACCHXTUPTNF-AWQFTUOYSA-N	466.231	3.524	50	40	JHGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccccc1C#N	409011493	GSHFTPRWMXXYAE-SSDVNMTOSA-N	463.275	3.611	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)c2)cc1	409162637	GNRPAAUXNPORIQ-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	409252516	CCSHHOUEVZHWBR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	663592	QDRUMSXMRKGZJR-GOSISDBHSA-N	452.923	3.942	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	2765447	VRXBGMCSZZCCPL-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
N#CC1=C[C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	9312868	WTPJFJSDCQNWJK-LIONHTAISA-N	490.475	3.767	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc(OC)c1OC	9671275	FEBNISDBQVADRT-UHFFFAOYSA-N	472.501	3.640	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)o1	9908587	IQZOQGGEYNESSA-UHFFFAOYSA-N	492.351	3.535	50	40	JHGB	
COC(=O)[C@@H]1CN(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c2ccccc2O1	11505402	FOTQGJLBOWRJBY-GXPYYPFNSA-N	493.560	3.568	50	40	JHGB	
N#C/C(C(=O)CN1C(=O)c2ccccc2[C@@H]1O)=C1\NC(c2ccc(Br)cc2)=CS1	12575710	IGVXKXJBIYECFX-IZBXUMLASA-N	468.332	3.535	50	40	JHGB	
Cc1cccc(C)c1-n1c(S[C@H](C)C(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	12811304	RTTBEUPGVZGNDA-GOSISDBHSA-N	472.570	3.944	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1	58913385	RELGXXODKCDYDN-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(Cl)cc2)cc1	408790006	PSUXVQLVWPTYKE-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccccc1	408826714	IXMQKIQKFSMKMW-ZVHZXABRSA-N	458.971	3.664	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)cc(OCC)c1O	408846395	NEMBFNJLJZFQGY-UUYOSTAYSA-N	480.302	3.897	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC	408983043	ZZHWIKDIPHODKG-MORQCWLFSA-N	495.601	3.962	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1	409028347	LOQYPLXYQPCASO-YZSQISJMSA-N	479.558	3.520	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)OC	409196668	XMWRDNHNUJMKCB-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	409266898	SATWOWWGMLLINC-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(c1ccccc1)c1ccccc1	857173	BWWQBRZNKBUNIP-HXUWFJFHSA-N	478.346	3.534	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O	2380981	CBPLAXMWKCZBJN-SDNWHVSQSA-N	473.316	3.853	50	40	JHGB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccccc3)C2=O)cc1	8819577	WWYUEDWMLCHONK-JXAWBTAJSA-N	455.561	3.598	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OCC	16689007	PAHLJJLHEXOZBQ-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	30734408	MFAYWSPNEPIHKC-PJCFSUAFSA-N	485.540	3.593	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O	59483276	GEIVAAOWZHWOFO-NUGSKGIGSA-N	474.233	3.661	50	40	JHGB	
CCCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	102065950	FEUHBYAIDMTQBZ-TUVASFSCSA-N	473.161	3.680	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)=O)c(Br)c2)cc1	408755373	UKLVHYCZDCIZOO-AWQFTUOYSA-N	470.117	3.909	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccncc3)n2-c2ccc(OC)cc2)cc1	1300881	ROLSDOHIVWNZQR-PKAZHMFMSA-N	488.573	3.979	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O	2405309	XMVQURCTGOVJQS-HMMYKYKNSA-N	460.534	3.862	50	40	JHGB	
COc1cc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)cc(OC)c1OC	9267178	AGEXOFVVVAQBOD-ATJXCDBQSA-N	488.544	3.586	50	40	JHGB	
CSCc1ccc(C(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	9545679	OCNOVULNHVMJKN-UHFFFAOYSA-N	497.642	3.754	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1O	10847209	UCYNMVBCEPLCKK-WSDLNYQXSA-N	460.271	3.851	50	40	JHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C	21120825	APXZDUSBTCHUKI-QCBCRBAMSA-N	489.576	3.790	50	40	JHGB	
Cc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)C(C)C)cc1	21776383	MUUINMIAQPVUSO-VWLOTQADSA-N	481.556	3.821	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC#N	59333338	XWVNSBZYMUVITN-NKFKGCMQSA-N	456.546	3.972	50	40	JHGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1cccc(I)c1	103748236	ZCJDGHFJFDDFKP-WSDLNYQXSA-N	469.710	3.757	50	40	JHGB	
BrC[C@@]12O[C@@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CBr)([C@@H]3[C@H]52)[C@H]41	104294916	DXXPAKJRQFPFNI-MQDRPGGISA-N	456.218	3.855	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)o1	109034364	OXENPOZESBIYOX-FOKLQQMPSA-N	485.474	3.716	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408778575	HQDAJYSPMLYHNI-PCLIKHOPSA-N	451.548	3.609	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1	408879137	BTAFWJJFXACFPV-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OS(=O)(=O)c1ccccc1	408891096	LJXGYDMQRBFDCR-GHRIWEEISA-N	478.482	3.707	50	40	JHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1cccc(Br)c1	408961660	DBFWGYZTCRDMMO-IUXPMGMMSA-N	460.069	3.915	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)O	408963143	AGZLJBYCBIWHEV-LSFURLLWSA-N	461.814	3.620	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1	409123844	FCJMVTLHVOCMCM-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc2ccccc2oc1=O	649824	RUQUOLXFMLEIJM-QGZVFWFLSA-N	458.470	3.601	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)nnc1-c1ccc(Cl)cc1	1242931	TVPZOPQEEKWBAH-WYMPLXKRSA-N	487.969	3.795	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(O)c1	8819718	WEFNEQGIYCGQSX-RGEXLXHISA-N	469.588	3.615	50	40	JHGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc31)C(C#N)=C(N)O2	9158251	GALRTFNKBSSLFY-QFIPXVFZSA-N	452.301	3.944	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc(OC)c3OC)cc2)CC1	20240509	LKAVRIUGBNRJSQ-VUTHCHCSSA-N	488.588	3.799	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)cc1	58915255	MQLIIBDCTWCBBA-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CCC(=O)N(NC(=O)Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O	100128084	OSXIOWBALMTBKN-HSZRJFAPSA-N	471.513	3.623	50	40	JHGB	
N#C/C(=N/NC(=O)c1cccc(C(=O)N/N=C(/C#N)c2ccccc2Cl)n1)c1ccccc1Cl	104227999	LMBJVTUGUTVXGY-KIMZHOAUSA-N	490.310	3.704	50	40	JHGB	
COC(=O)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F	111401909	JOMJXRTUQWIHQD-NTSWFWBYSA-N	488.099	3.966	50	40	JHGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1	3201151	LOJIHWXUMYFYSH-OVVQPSECSA-N	473.554	3.778	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@@H](C)C3)nc12	9291233	YDIJORGUJIVUFH-FNPLVTCOSA-N	498.992	3.608	50	40	JHGB	
CCOc1c(I)cc(C=C(C#N)C#N)cc1I	9805474	SPHLXGVLNWSWLG-UHFFFAOYSA-N	450.017	3.725	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1cccnc1	16712195	KONIIZHLBWFVRE-DHRITJCHSA-N	494.378	3.729	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccnc1	17440282	BCYSDRBLLFDUKH-QFIPXVFZSA-N	496.552	3.827	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cc(Cl)cc(Cl)c1	20211578	VOXDXACUXBEQMV-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	20213859	OAYQEDXMRCOJJI-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1ccccc1	33044097	QZIBZLQOMMTHCU-QYQHSDTDSA-N	474.517	3.990	50	40	JHGB	
Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(C(=C=N)C#N)N[C@]2(O)C2CC2)cc1	34868938	BQBFBDKQCOAIEK-JRFVFWCSSA-N	475.370	3.548	50	40	JHGB	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(NNC(=S)N[C@@H]2CCCC[C@H]2C)cc1	35587227	LXTBFSMZVZUETA-WOUAJJJCSA-N	476.716	3.744	50	40	JHGB	
COc1cc(/C=C/C(=O)OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	103649728	IACNKWPFTWDNDK-FIFLTTCUSA-N	458.463	3.535	50	40	JHGB	in-vitro
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(Br)c2)cc1	408743886	HXCLEJNZGDIGEO-GDNBJRDFSA-N	459.296	3.945	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	408825510	ASZKOISCIKZNFG-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1	409158010	JPUNMJIJQXTAAJ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	20083570	SKNWJFDMGZXHHQ-HXUWFJFHSA-N	498.586	3.654	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OCC	20212440	HXGRZAYSSVWBHD-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1OCCC(C)C	22610617	RFERDRQDIKRCHT-OAQYLSRUSA-N	456.539	3.753	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	28217924	QOEHPWPZEZYKNA-UFFVCSGVSA-N	465.373	3.672	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	33571283	QUGDIHNCBRJUHT-FOKLQQMPSA-N	457.280	3.838	50	40	JHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1Cl	59444248	IDCOKZQOMWSWCH-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59472796	BCKYJSZNNQODAV-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	102066083	UHYUGFZZQCOSEF-KBCNZALWSA-N	499.199	3.926	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)c2C)cc1	408585981	ABDJEATUMVDRHO-AFUMVMLFSA-N	464.478	3.952	50	40	JHGB	
COc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1	408685743	QFKLATHUKMFULZ-MUJBESKKSA-N	458.308	3.997	50	40	JHGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cccc(I)c1	408925689	SVVGRIKPCATHJP-NTUHNPAUSA-N	464.259	3.863	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1Cl)OCc1ccccc1	408991331	QEAGLAQSSUBKQH-CZLKLAILSA-N	460.321	3.704	50	40	JHGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccccc3I)c2c1	409016053	UFWVWRRYVPQHOR-FMCGGJTJSA-N	490.297	3.991	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1O	409122253	ZOIWGJXBTLMUAO-JVWAILMASA-N	495.601	3.749	50	40	JHGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	720614	DFQOQAAZMSFOKA-IBGZPJMESA-N	458.453	3.841	50	40	JHGB	
Cc1nn(Cc2cccc(C(=O)NNC(=S)NC3CCCCC3)c2)c(C)c1Br	2795542	KOBUZPBUYHKFCD-UHFFFAOYSA-N	464.433	3.752	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762048	BSWWHGFDLXIWBC-AHSCSYMBSA-N	481.858	3.873	50	40	JHGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1OCc1ccc(Cl)cc1	12990095	GGIOXNJGYRDGOQ-UHFFFAOYSA-N	452.866	3.821	50	40	JHGB	
CN(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl	16186746	UPBBLBSVAHMBBJ-ODCIPOBUSA-N	452.722	3.557	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59435878	KWLVETQCXROVGS-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl	408774150	AHTLFJAUFUOWEB-CVKSISIWSA-N	499.976	3.784	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1[N+](=O)[O-]	408775326	GNCFQQZKCGIGCQ-GTPWMTBTSA-N	460.490	3.923	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccccc2)cc1	408923016	DOPJQTNEIKJVFE-NCELDCMTSA-N	451.548	3.821	50	40	JHGB	
COCc1cc(C)nc(SCC(=O)N/N=C\c2c(OC)ccc3ccc(OC)cc23)c1C#N	409005172	CZBOJMRCLWCBEA-ZRGSRPPYSA-N	464.547	3.821	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(I)c1OCC	409124040	GLVMRKFNIFLVLG-SFHVURJKSA-N	493.345	3.819	50	40	JHGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O	409222158	ALGBCKJVKIQICK-WGARJPEWSA-N	491.456	3.820	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1	409255525	LRNSBZLWNSSAOV-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccc(C)cc1	842713	FLCQDCHRKMSEEY-XMMPIXPASA-N	459.502	3.836	50	40	JHGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2F)c2ccccc21	12372299	JAWYNHUJEJZRNJ-RUZDIDTESA-N	475.501	3.901	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)n1C[C@H]1CCCO1	96129927	QFEXNZZPDGGAFZ-INJUALFYSA-N	479.556	3.706	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C)S(C)(=O)=O	408875476	FWMLBEQOSWALPS-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969796	UTVJEGGGQHGHFM-IYAOEYEUSA-N	499.564	3.599	50	40	JHGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc(OC)c1OC	409003796	UYOMVFZUJLACHJ-JFLMPSFJSA-N	490.516	3.687	50	40	JHGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	409162712	HESDUIIRWMWESY-JFLMPSFJSA-N	478.505	3.761	50	40	JHGB	
CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	3669885	UDVPYKJZOLAYSD-QFIPXVFZSA-N	494.642	3.997	50	40	JHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)NNC(=O)c2cccs2)o1	9582821	ZDNADCJUASASBE-ZRDIBKRKSA-N	476.514	3.520	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	9805368	QYEFBLGZLNKXDF-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1Cl	12766440	ULROKGCWORHJGW-UHFFFAOYSA-N	492.384	3.646	50	40	JHGB	
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	14359961	OPBLTOHDAKJVJD-AVSIYSEJSA-N	466.519	3.871	50	40	JHGB	
COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc2c1	32909638	XBIOIJDSIBDVDT-UHFFFAOYSA-N	450.470	3.807	50	40	JHGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCOCC1)[C@@H]2Br	100015360	MGCRERZVHHMPKR-IIMNLJJBSA-N	474.031	3.531	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100394145	HURKDGJKHYMIHD-OODJYTJKSA-N	463.553	3.631	50	40	JHGB	
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21)OCC	105017510	SWVZCSNIXJPVNG-WDPRENJMSA-N	461.518	3.900	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1	408609127	JLCJEAIWLOJLJW-MUFRIFMGSA-N	479.508	3.579	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	408780636	GUWFLQPHMCZRTQ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408807360	CATNWORLAKTCFI-QPEQYQDCSA-N	463.259	3.694	50	40	JHGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	408913906	VDIMFQQAJJTAPL-RTMGKINMSA-N	478.574	3.634	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)cc1	409122554	ZLRMDBFRWMKCDI-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1F	409377556	IJNDUVUDSMISIH-WGARJPEWSA-N	480.452	3.914	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	982361	LSAGJZRLXJSXGS-VULFUBBASA-N	462.458	3.562	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1	1096119	ZNQCCRZGCFIUSJ-IMRQLAEWSA-N	478.574	3.765	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1O	1315342	LYJSJBMGTSZLLQ-DHRITJCHSA-N	464.934	3.987	50	40	JHGB	
CCNc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1[N+](=O)[O-]	8687943	YYEBAWNWKVJNSQ-WGOQTCKBSA-N	461.526	3.885	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59500477	QQKXNZSGURTRMN-MYYYXRDXSA-N	463.446	3.985	50	40	JHGB	
CC(=O)OCC(=O)[C@]1(O)[C@@H](Cl)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922969	ZJDJNJPERVGYNY-VUTHEHSISA-N	467.002	3.962	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	408598662	HTMQKGAVAMRKPB-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)cc1	408774952	DRFBATKSBSCQBA-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1	408778912	ZOZADZBPYZDLLJ-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408831314	PWQMVCKQHXSPII-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1	408924713	NTAVYPYIOPJAJL-XMHGGMMESA-N	461.499	3.958	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(C)c2C)cc1	409024354	KGXPQCUBUIRGGR-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1	409163925	ZRJVOINWWPIKBQ-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccccc1	409174852	PJDWBWVJZJLOAY-CCVNUDIWSA-N	484.434	3.812	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Cn1cc(Cl)cn1	2227349	QCAGTQLEIZURSH-GZIVZEMBSA-N	463.719	3.825	50	40	JHGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	3349204	SZVKMKXONJXQLB-UHFFFAOYSA-N	450.502	3.809	50	40	JHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccc(C)c(C)c1	4207649	DANSHYAHQLMUEK-FSJBWODESA-N	450.333	3.925	50	40	JHGB	
CCCn1c(SCC(=O)NNC(=O)c2ccccc2Br)nnc1-c1cccc(C)c1	12776976	XOCQJJYMJBQTKG-UHFFFAOYSA-N	488.411	3.979	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc(Br)c1	20060515	KXCQMQIOAIAMDA-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	169879750	CBYTUKLQTWNCSF-QGMBQPNBSA-N	457.078	3.892	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408684766	NZDHVPDYIQKWQO-QMROVXIMSA-N	473.298	3.588	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(OC)c(OC)c1	408861380	RESREDOAIZKJQA-LKUDQCMESA-N	469.563	3.554	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc(Cl)c1OC	9954547	YDNGMBVDULWHPA-UHFFFAOYSA-N	477.908	3.680	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)c(OC)c1	12251118	PWAQZVGZUVFPNU-MRXNPFEDSA-N	452.492	3.831	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12275522	BNWSIQTVAVNJCP-BVZFJXPGSA-N	482.558	3.754	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I	408543508	RMVZHCSSMZXSHE-ZSOIEALJSA-N	462.243	3.934	50	40	JHGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1	408609667	LACFYBCOMZPNIZ-LIMNOBDPSA-N	489.153	3.540	50	40	JHGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408732611	SLXCAAWLVXMMAL-ZMFRSBBQSA-N	473.514	3.998	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(I)c1O	408758656	OPUIVTGPZUCKAK-QPEQYQDCSA-N	462.243	3.754	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408797252	QYAGKXACCRUBQF-CXUHLZMHSA-N	472.881	3.623	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1O	408844737	CYKCKKPKQYDUAX-GZIVZEMBSA-N	483.333	3.912	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)c1	408852288	RVEJWHOKSHNYOS-PTNGSMBKSA-N	471.922	3.966	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc1I	408904941	QUFMKYBVRXEIBU-NESUPFIGSA-N	483.313	3.898	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)Cc2ccccc2Cl)cc1	409062991	FAEMVFHSCFCGBC-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(N)=O	409218156	DDHGCSMBGKHCBY-LFYBBSHMSA-N	453.804	3.777	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)ccc1OCc1ccccc1	409258835	XWGNKGMCVBVYHO-MUXKCCDJSA-N	481.936	3.946	50	40	JHGB	
C/C(=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	8780789	JPDPLNVWJPSPPV-MTJSOVHGSA-N	487.270	3.664	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	12250332	ACYJLHOQISOCEC-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	19950131	CQWMQKRXQGPSIF-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccccc1	20493170	WWGPSCMNEZYGHR-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)ccc1OC	30968156	QZVWBTPZNVZUFI-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
O=C(CCCCC(=O)NNC(=O)Nc1cccc(Cl)c1)NNC(=O)Nc1cccc(Cl)c1	104863118	NGYJTTVGPKKRHY-UHFFFAOYSA-N	481.340	3.559	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Br)ccc1OC	408605514	LTRIACRQCRCLPI-KRWDZBQOSA-N	476.400	3.711	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1	408609644	KUNZWJLJNTYEJD-IDUTXGBLSA-N	494.375	3.716	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(I)c1O	408748345	CDRDUSUKIGYPFE-UFWORHAWSA-N	499.355	3.858	50	40	JHGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCCC2)o1	408851142	IYICCLJAOMEBHK-JMIUGGIZSA-N	471.149	3.934	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869374	CLACARAEFWHFQB-ZTBJCTOSSA-N	460.770	3.950	50	40	JHGB	
O=C(N/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccccc1	408891137	MDLKVGQPQJCGGO-HYARGMPZSA-N	459.321	3.981	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967503	STOLCADBLMEAFV-BHGWPJFGSA-N	465.362	3.812	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	409252050	BLCROJWIFOGXBA-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)O	409319556	IGAULYWRFVZEEJ-DICXZTSXSA-N	478.501	3.900	50	40	JHGB	
COc1cc(CCC(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1OC	3335245	ZFHJOGJGQSQFRY-UHFFFAOYSA-N	475.501	3.914	50	40	JHGB	
CC(C)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	4157176	SVUJUPXKXPYYLF-FHULIHMCSA-N	499.199	3.782	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nc(C(F)(F)F)nc2ccccc12	8724015	NITUXJMXJJRFCR-UHFFFAOYSA-N	470.860	3.864	50	40	JHGB	
N#CC(=C\c1cc2ccccc2[nH]c1=O)/C(O)=N/c1cccc(S(=O)(=O)N2CCCCC2)c1	13005990	LRPYHZJYEWIKKW-XMHGGMMESA-N	462.531	3.898	50	40	JHGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C1	17244463	JNIKLPSNJFOSCO-BETUJISGSA-N	480.562	3.998	50	40	JHGB	
O=C(N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1Cl)c1ccncc1	17953528	PKKCFTNWUYFDDB-CLCAUBNZSA-N	468.300	3.905	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1	28215600	IMDJFRVZFVVSFL-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc([N+](=O)[O-])c1	35419649	DPPVCKMJUCDRKI-WYMPLXKRSA-N	481.534	3.832	50	40	JHGB	
Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc(Br)c1Cl	408688283	VWBFEYWUCLIXEM-KOMLAQJASA-N	463.553	3.920	50	40	JHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCCOc3cccc(Br)c3)ccc21	2628353	OBMZNFJPMKGCHR-UHFFFAOYSA-N	459.344	3.747	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)S(C)(=O)=O	8450487	CYUDRIWSAIORBB-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1	9185584	IXGABBVFZXRKPB-QNGOZBTKSA-N	489.601	3.613	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1	19950072	IJCSUFJRPMFWMP-ZXVVBBHZSA-N	494.617	3.887	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(Cl)c3)C(=O)c3ccccc32)cc1	101027874	OELMACWXFBAOQU-HFTWOUSFSA-N	479.945	3.841	50	40	JHGB	
O=C(c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)N1CCCCC1	408672953	PPBYUZLCCHOAKH-YVSFHVDLSA-N	498.215	3.739	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccccc2)cc1	408783400	KZLOYYXOUPWXGK-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)cc1	408790599	XFBZYVSDTDXSRG-RIYZIHGNSA-N	492.269	3.641	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408850354	LYIGFYYUMDKYNS-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccccc2Cl)cc1	408863789	QBIINIZYJGWTPL-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(OC)c1	408884653	VFKZDMDPIKOFFE-LHHJGKSTSA-N	465.289	3.697	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1OC	409365734	RRPWQOSFJYBFPF-AWQFTUOYSA-N	472.133	3.627	50	40	JHGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1	6146825	DTMMASYCQIVMOF-ZVHZXABRSA-N	483.347	3.885	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)cc2)c2ccc(C)cc2)cc1OC	19955522	ZBBWVJNQGCXJSZ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(O)c(O)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12	20558499	IXABWKGQABKHRI-JOCHJYFZSA-N	491.500	3.763	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	20987090	NDACMQCRXHWJCP-KGENOOAVSA-N	462.527	3.995	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1	30826587	IDZHWUQZPDDZLN-ZMFRSBBQSA-N	481.436	3.799	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)c1	58915233	HHLWSPHHZJUGLZ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	59105189	PFZOWAVOXBEIQI-SXGWCWSVSA-N	468.307	3.660	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	59417042	HUBXFQVKJUTMBN-ZMOGYAJESA-N	475.486	3.933	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(Br)c1	408606201	PEVAJNVBXZFBRW-MRXNPFEDSA-N	463.357	3.796	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)c1	408608427	PNEJAYFDXRFTRF-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408608712	IJDWZUSJOXUSQU-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1	409013074	SNGCNVVSGBNFQY-YUMHPJSZSA-N	461.518	3.723	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409025021	PKJHVGMEZUSYTR-UPMNJHNBSA-N	467.547	3.792	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1	409123846	FCJMVTLHVOCMCM-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1	409139923	CLUATMAYHMQICK-ZVHZXABRSA-N	458.971	3.907	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1	409158439	RFMXUHGPUWHXRH-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409235229	OFVQYZUWIYMTJG-AWQFTUOYSA-N	453.362	3.506	50	40	JHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)c1	2091278	CMUOYWLFYKWGQN-XMMPIXPASA-N	473.529	3.643	50	40	JHGB	biogenic
COC[C@H]1[C@H]2CC(=O)O[C@@H]2[C@H](I)[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1	5045571	PRABNDOFJAIZJF-GZSKETOLSA-N	492.309	3.891	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1cccs1	6089270	AWPCLNCUMYCSEU-LJQANCHMSA-N	464.572	3.921	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OC	9440665	FQLCQTUAIGWOGT-KPKJPENVSA-N	479.230	3.762	50	40	JHGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1)C(=O)O	59248535	CCBHPMDQRCKXJH-GCYXGZDWSA-N	486.116	3.533	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccc(C)cc4)n12)CCCC3	100386059	UOGBXAFLNWMLGN-UHFFFAOYSA-N	480.619	3.642	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	408767646	ZIKBSVASQZORLU-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409161498	YDUNWNKVUYEUEC-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2Cl)o1	409162121	CUZFPQASVJYKPM-HURLIOHXSA-N	484.896	3.850	50	40	JHGB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O	9346384	TVSCLSBDBBZZHV-RRDOOKONSA-N	454.310	3.949	50	40	JHGB	
CCc1sc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1C	12761430	AXOILYYSBQECFU-UHFFFAOYSA-N	450.516	3.696	50	40	JHGB	
COC(=O)N/N=C(/C)[C@@H](CN1CCOCC1)[C@@H](c1ccccc1)c1cc2ccccc2oc1=O	17215450	PGQGAVVWIXPQMZ-PDMJEMICSA-N	463.534	3.605	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1O	20247260	OSNNFAVEELKZDX-JRCVBZDQSA-N	461.543	3.939	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1OC	22802785	LPRAOZPVVGQHHM-VUTHCHCSSA-N	472.589	3.786	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1	58913600	ZHGHJRWOKWCGJI-DHRITJCHSA-N	499.365	3.963	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408783176	KXISJPPZQZQZSZ-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)c([N+](=O)[O-])c1	408879414	DHEONLRLDHSYRM-WUXMJOGZSA-N	462.256	3.929	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2cccc(Cl)c2)cc1	409062408	UEIDVIGZERRHDS-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409067724	ZDIWCKOFOWGEMO-JVWAILMASA-N	490.520	3.617	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1Cl	409156271	NOZODEIZYIYMHS-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)OC)c(Br)c3)cc2c1	409183552	CZVZNFOYNXHUML-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cc(Cl)ccc3OC)c2)c1	409224144	KWJKWFFBGHIEQJ-UHFFFAOYSA-N	453.882	3.684	50	40	JHGB	
CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1	2327555	IRKLMSRYIRNECG-UHFFFAOYSA-N	461.016	3.503	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1	3201075	SWEUKFQMZLSQHS-YZSQISJMSA-N	496.589	3.812	50	40	JHGB	
CC[C@@H](c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1)N(C)C	3551805	ZJFPXYXPJZBXQV-IBGZPJMESA-N	487.029	3.546	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc4c(c3)OCCO4)c2)c(C)c1	6093138	GIOVHMILHNMTMK-MFKUBSTISA-N	465.531	3.639	50	40	JHGB	
O=C(Cc1cccc(F)c1)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	9884219	QOEZPZVSKLUYBN-UHFFFAOYSA-N	466.900	3.798	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	13811041	QUNRDYCPVGRBCD-YOYPMJMESA-N	496.972	3.698	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC	20232913	KQCJWPSVKBAIEU-NLRVBDNBSA-N	479.558	3.849	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	23410648	MMQRKZGOCRYRLS-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
COc1ccc(/C=N\NC(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1Br	31723499	MSYZQQIRQSOMSS-UPVMUGGESA-N	484.148	3.896	50	40	JHGB	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C	58689923	YNNURTVKPVJVEI-WXLIAARGSA-N	455.378	3.736	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1O	58926072	DCXUYUYYVXAANS-AFUMVMLFSA-N	487.965	3.784	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cc(C(F)(F)F)ccc1Cl	408914307	WFBZYGSRCAWDTF-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	409125660	AIXFQJONXTZKAL-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1089046	CJQCXTBEYYYTKQ-AUEPDCJTSA-N	467.283	3.847	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1	20059930	IIESDDSTJNQXSA-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(I)c1O	408529204	IQDOHZWJDMRDAY-LIMNOBDPSA-N	493.223	3.586	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccccc1	408666706	RNXPFXONXBNLSH-RDGPPVDQSA-N	475.328	3.596	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OC	408814491	POJHMOGQMOJTND-MBLSOGTRSA-N	454.308	3.910	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OS(=O)(=O)c1ccccc1	408879870	FVGVIFOCWWORQK-QGOAFFKASA-N	478.482	3.707	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Br	408906012	CCDHDQQNZPSUDP-FBCYGCLPSA-N	483.171	3.574	50	40	JHGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409015390	RXECLOIKVAAQQF-ONUIUJJFSA-N	460.490	3.628	50	40	JHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	409043065	ZFOJWTAZSYJRMI-NTEUORMPSA-N	465.849	3.942	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1cccc(Br)c1	1433870	FTZGQPJFBNHYLX-PGLVWIQMSA-N	453.292	3.852	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)c(OC)c1	2221571	LNBOQIZILHCAIF-MRXNPFEDSA-N	497.573	3.949	50	40	JHGB	
CCOC(=O)C1=C(C)N2C(=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1)SC[C@@]2(O)C(C)(C)C	6498649	LBIQUSKUSUEYSU-YADARESESA-N	456.564	3.926	50	40	JHGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1	8683406	QFKJSQQSGRZHAG-RCCKNPSSSA-N	452.518	3.858	50	40	JHGB	
COc1ccccc1/C=N\NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	8721869	WQBQYLWDTKJJIB-MYYYXRDXSA-N	471.966	3.690	50	40	JHGB	
Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)c1C	9057206	YYZGHFIIQZAQCY-UHFFFAOYSA-N	481.144	3.680	50	40	JHGB	
CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)ccc1O	9427699	GLQYSALSPPHMEZ-KRWDZBQOSA-N	453.520	3.510	50	40	JHGB	
O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	13070962	ILXOZHYZNHBSCN-UHFFFAOYSA-N	473.573	3.970	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC	20232746	MQYMMHVLFDPKEB-OVVQPSECSA-N	493.585	3.990	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	408608295	HBMQJTSIUPYRTA-CCVNUDIWSA-N	469.900	3.833	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O	408648801	KHMFSESQTUIEFB-GOSISDBHSA-N	475.860	3.511	50	40	JHGB	
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(Br)cc1	408666372	HPYULTJVAFJIMJ-UHFFFAOYSA-N	469.291	3.859	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2C)cc1	408772033	MNBGVPAHMFXPFH-QFEZKATASA-N	464.478	3.708	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I	408791235	XQBQQKHPVVIISW-JXAWBTAJSA-N	487.341	3.946	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2c(F)cccc2Cl)cc1	409062275	RDILAAROJYNVPD-WYMPLXKRSA-N	463.918	3.722	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(Cl)cc1	409238988	YCEBCDJYPGCTAD-MLPAPPSSSA-N	464.703	3.792	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409258395	UUYPFMDCTLQOBG-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1	8964753	IPDCVXXNSMFTCE-CAJWKFQMSA-N	499.571	3.521	50	40	JHGB	biogenic
Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccn2c1C(=O)c1ccc(F)cc1	9670514	CNWJZSIGGLYAQT-RYIRVSIUSA-N	457.461	3.908	50	40	JHGB	
CCOC(=O)/C(C#N)=C\c1cc(I)cc(I)c1OCC	9762398	IRJVDKKSKJGLIK-YHYXMXQVSA-N	497.070	3.765	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1	409159776	ULYHHZGYZJLRKQ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1cc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc(OC)c1OC	8991513	ZRBMTOLFIPIWCG-QNGOZBTKSA-N	486.528	3.941	50	40	JHGB	
N#CC1=C(SCC(=O)NCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	13174498	IJTPJNVKJWUFQL-XMMPIXPASA-N	473.554	3.894	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	19948360	RTWAQMYAIURGSI-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccc(Br)cc1	408639910	GPYODMQHWFDEJI-LLVKDONJSA-N	471.138	3.570	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	408785846	ILRMLZWMXRYMRC-YDZHTSKRSA-N	471.410	3.756	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCC(=O)O	408787708	FEZMHABMDNNJCO-RIYZIHGNSA-N	492.269	3.699	50	40	JHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408961589	NNXQVDPKTWAWFR-SSDVNMTOSA-N	472.251	3.888	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc(OC)c1OC	3050094	XXFNFNFCJAEQLP-ZVBGSRNCSA-N	457.708	3.657	50	40	JHGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766235	XDIUZTCVXNCJQJ-MJGOQNOKSA-N	494.598	3.513	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(I)cc1	10118597	RHRVHBGQADWLNA-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
CC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(OCCN2CCOCC2)cc1	13554814	CRBYLIIRDNTBFF-DARPEHSRSA-N	460.372	3.704	50	40	JHGB	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1	14922990	LZWDVVJOVUNRGT-RULVSXHUSA-N	495.583	3.801	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1	19949528	TXOZTYVZLRIETC-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc(OC)c1OC	33333558	JOHSIMWQSZWYTL-WHXCVRPHSA-N	476.577	3.819	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc(Cl)cc1Cl	408732365	VFSITYMWVMWERC-LSFURLLWSA-N	468.753	4.443	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl	408903889	AXIRRDPANJPABF-UYOCIXKTSA-N	466.233	3.964	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C	409171094	YBFJAZAGFODUIR-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1	958033	DBQGCNDRLKBBJR-HKRNCWMRSA-N	490.512	3.782	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1	1326159	RJHBKEAICUAXCQ-LBPRGKRZSA-N	456.593	3.686	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Br)c1OC(=O)c1ccc(C)cc1	9730648	NIWAXTQDOAOPJS-FOKLQQMPSA-N	471.311	3.781	50	40	JHGB	
COc1cc2c(cc1NC(=O)C(=O)NNC(=O)COc1cccc3ccccc13)oc1ccccc12	13942038	AAIKBNLYIDNLFZ-UHFFFAOYSA-N	483.480	3.913	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1C	20059236	QDAKBBMPWPOTDL-VULFUBBASA-N	479.558	3.762	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)cc1	20764902	GOFBNLMEBXDIMC-FSJBWODESA-N	479.327	3.562	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1	58913645	YCXLRODLZWUUIR-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1	408893135	FRUCLFHRISLYCN-WUXMJOGZSA-N	462.256	3.929	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409151805	DDGZNGFMKJGIKY-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1C	409259080	XFYZNDWGKALMNG-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	409333259	NYDWVWODNCKJNC-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
O=C(O)CCC(=O)OCCN(Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)C(Cl)Cl	4963971	MXKPTJUNVZBJIP-UHFFFAOYSA-N	499.303	3.927	50	40	JHGB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)c1	12274867	RXFXBIMJMGQFHE-QGOAFFKASA-N	490.006	3.791	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956296	JZCJYIVGMQBIFU-WGOQTCKBSA-N	468.554	3.546	50	40	JHGB	
O=C(NNC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F)Nc1cccc(Cl)c1	97944985	OWBMJFJDKZYQSG-GFCCVEGCSA-N	459.652	3.687	50	40	JHGB	
CC(C)[C@@H](Br)C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1	408535580	TYMGSIGBNQGIFF-HXUWFJFHSA-N	472.387	3.953	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1	408611351	QRNKVIJYCLHNLS-JFLMPSFJSA-N	496.361	3.803	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	408838619	YIEAWFJMAUGTCT-PCLIKHOPSA-N	496.545	3.511	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1ccccc1Cl	408877674	SVKXKCGHYDAXMY-AWNIVKPZSA-N	452.679	3.936	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	408892739	CCUTXHDMLBZITN-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408923273	VJSQFSGJEIJORO-UMYHVIPVSA-N	458.367	3.697	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1OC	409021278	ZVZWHJRNHWLKJT-YSMPRRRNSA-N	463.490	3.581	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C	409168556	MNJDFFXJXPNADC-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3080514	RACNLPBAEYHXHJ-UFWORHAWSA-N	487.104	3.658	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1cccs1	8721870	HBOYPACPQDEAGI-BKUYFWCQSA-N	484.441	3.984	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	9630928	PMGOMWLLISGIKW-SJLNRSQASA-N	497.636	3.766	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	20100770	BVVLJNQDXWGTFR-AWQFTUOYSA-N	472.133	3.845	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	58918567	USBSUJRTWUZGFE-HZHRSRAPSA-N	484.559	3.662	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	59435876	OKJRDLYSOJQSOI-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC(C)=O	408752611	ISVJAZYDCXRDIY-AWQFTUOYSA-N	472.666	3.642	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408958407	YOUAUOXEDJENBH-PCLIKHOPSA-N	452.532	3.773	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C#N	409002428	UPHDLZCLGTXVDK-NSKAYECMSA-N	482.880	3.549	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1C	409252006	BBPPPDWEDJCKAY-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccccc1	409260605	SRTXFNXHIKLUOO-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409261160	BLBKYEBTJRCTAC-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1OC	409388846	WPTRYWMYQXLRLE-VGOFMYFVSA-N	451.264	3.759	50	40	JHGB	
CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	3669886	UDVPYKJZOLAYSD-JOCHJYFZSA-N	494.642	3.997	50	40	JHGB	
Cc1cc2nnc(SCC(=O)NNC(=O)c3ccc(Br)cc3)n2c2ccccc12	6195124	LDICDSYPUXHYBN-UHFFFAOYSA-N	470.352	3.507	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc(OC)c1OC	33893858	JOHSIMWQSZWYTL-HSMHNTNPSA-N	476.577	3.819	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444723	SIRYHELNDZCQIR-BRJLIKDPSA-N	496.317	3.846	50	40	JHGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966098	LHCSJUWUAYBDHE-FMCGGJTJSA-N	490.383	3.660	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OC	409302232	IFIPIOJLXQXDMT-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
CCOc1c(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cccc1OC	637259	VRYRINKBFAOKDL-PCLIKHOPSA-N	467.547	3.967	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Br)cc1	1790836	SERLIDIGIRUVCX-HGBKYHTQSA-N	456.365	3.930	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1	13923698	SMNRNUXPOQEOPM-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	19951555	YLYKVFCOBIUXJA-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	23410664	MVZZLWSWXPLVRR-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
Cc1csc(SCc2ccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2)n1	24122220	HZBCWZBOKZCGFX-UHFFFAOYSA-N	451.371	3.909	50	40	JHGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1Cl	33672463	DGVFFXRAMAASQZ-MYYYXRDXSA-N	487.965	3.912	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	58915052	BKVXPUGKFUFTJC-MTDXEUNCSA-N	487.585	3.835	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c(OC)c1	59416301	UZRYSRFNYUOSST-JFLMPSFJSA-N	493.516	3.746	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OCc1ccccc1Cl	408610344	TUVUOMFDXMUWRR-LQKURTRISA-N	465.937	3.737	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)cc1	409028771	SALPUDNBJDSVEA-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1C	409259442	ZOBBGYUEEQMAGF-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	19951209	JOPDOIUKTYWCDV-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(OC)c3O)n2-c2ccccc2)cc1	31870181	OFIRZZLKPPQCFM-YSMPRRRNSA-N	489.557	3.900	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21	245241502	GPGJEJUNCOOXHD-XDZDRYMMSA-N	474.529	3.521	50	40	JHGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408772548	MXSUYJPARDARMU-QQCPHKAJSA-N	451.446	3.990	50	40	JHGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	408906555	HFNULUUSFCAXEH-WRGIWNTCSA-N	478.574	3.634	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1	409155293	QRVJZRDNAXHQCL-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(N[C@@H](C(=O)N/N=C/c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	9065087	FWUWEAZKNWCZME-QRGARVHWSA-N	475.508	3.698	50	40	JHGB	
C/C(=N\NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(OCC(=O)N(C)C)cc1	21188367	DAGBDKVMNNJCST-VUTHCHCSSA-N	482.544	3.555	50	40	JHGB	
O=C(O)COc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	83328328	XIQMSYCOGAHNGT-ZMFRSBBQSA-N	473.312	3.843	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1O	408805314	GCZAANZFEOWMIS-XVDJGBJWSA-N	454.308	3.997	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2)cc1OC	409006062	HGYTWRXOCMZVKR-BKUYFWCQSA-N	452.292	3.781	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl	409163355	QHCKQPLYITZAOP-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1	409227758	WJNSMWKPGXWZKN-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1	409260825	XEIXHHJUGWZJPZ-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	409311829	BNYODSFCNKQVHL-QGZVFWFLSA-N	455.923	3.837	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1O	3112601	IVAXHHKHQYMAAQ-LPYMAVHISA-N	475.320	3.686	50	40	JHGB	
COc1cc(-c2cc(C(=O)N/N=C3/N=C(N)c4ccccc43)c3ccccc3n2)cc(OC)c1OC	9597203	WFKXZQJSZPANFE-UHFFFAOYSA-N	481.512	3.738	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NC(N)=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	9988582	LAIQAMKJYXJKOZ-FUEWVNAISA-N	482.846	3.800	50	40	JHGB	
O=C(CCCC(=O)N/N=C\c1cccc(Br)c1)N/N=C\c1cccc(Br)c1	31670102	VKUKPQFINXMOGP-YFBGDSSHSA-N	494.187	3.982	50	40	JHGB	
COc1ccc(/C=C(/C#N)C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)cc1	33397638	FWOWVAOMZJRIHU-CYVLTUHYSA-N	467.481	3.898	50	40	JHGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1	33693696	WEBYSPRMSMOMQY-PKAZHMFMSA-N	495.601	3.607	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408605076	KMFQBQBBMZASFU-OAQYLSRUSA-N	491.573	3.986	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408608246	GWWBGPIHQIKDMN-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccc(C)cc1	13788047	NGUJUCTWGOTLFN-ZMOGYAJESA-N	482.957	3.641	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	13922698	VHWUITPBRAZOQX-JFLMPSFJSA-N	465.481	3.901	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1	20468098	BAHGJBCXYNXQKQ-LEWJYISDSA-N	465.550	3.888	50	40	JHGB	
O=C(/C=C(\O)c1ccccc1)C(=O)NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	102537956	OZPOUBRJKWOPTO-ZHZULCJRSA-N	485.323	3.545	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1	409161337	TUNSOTJJCHCJMP-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OS(=O)(=O)c1ccccc1	2727008	IHCOEJMILXHTFZ-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)COc1ccc(Cl)cc1Br	12635106	CIBCGGDXIJMBTA-UHFFFAOYSA-N	481.652	3.727	50	40	JHGB	
COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1	20219013	PFKGKXPDZUTGDI-RCZVLFRGSA-N	451.530	3.629	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2cccc3cccnc23)cc1	408761893	MFNXDMYWGNTZCV-JVWAILMASA-N	475.526	3.840	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccc(C)cc1	408786105	MEARAUHKNMHWLS-WGOQTCKBSA-N	481.574	3.617	50	40	JHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccc(Br)cc1	408836476	RPXXLDIWYCKQPH-QINSGFPZSA-N	493.317	3.843	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2ccc(Cl)cc2)cc1	408906863	JMPZENQCJLMYLE-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	409024434	LCZCDTNFERLMLG-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC(C)CC2)c1	27021899	IXGABBVFZXRKPB-RCCKNPSSSA-N	489.601	3.613	50	40	JHGB	
CN(C)C1CCN(C(=S)N=P(c2ccccc2)(c2ccccc2)c2cccn2C)CC1	102155594	AZTPUKHEVOLNLK-UHFFFAOYSA-N	450.592	3.814	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OC)c([N+](=O)[O-])c2)cc1	408746677	VJGLODKVZHTARQ-GHXNOFRVSA-N	479.230	3.762	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967129	PYFZELHXJSLYFK-BHGWPJFGSA-N	465.362	3.812	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)c1	409257362	QHTFFIHEGKABRB-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccc(OCC(=O)NNc2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)cc1	1331291	GMCSMDFRMKNHEF-UHFFFAOYSA-N	463.929	3.631	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccccc1OC	2588738	KVLNOABDWDBENZ-FCHUYYIVSA-N	493.541	3.848	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1	2889840	WOSQYHWHACHYAT-DAQNXSASSA-N	488.496	3.692	50	40	JHGB	
CCc1ccc2[nH]c3nc(SCC(=O)NNC(=O)c4ccc(C(C)(C)C)cc4)nnc3c2c1	8654090	BDOZTKVXPMMHHJ-UHFFFAOYSA-N	462.579	3.919	50	40	JHGB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(Cl)cc1	8820393	YITKJYWUUVXJBY-GUSDSWBTSA-N	457.964	3.559	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccccc2Cl)C1=O)=C\c1ccccc1	8820658	YYBBGKINNJKSOG-UJUKKVGJSA-N	471.991	3.949	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	8951773	JYEPPAIYFPFJTM-RGEXLXHISA-N	498.586	3.600	50	40	JHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	9289349	ZFLOMIKFRCHHSX-QGMBQPNBSA-N	457.078	3.518	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)n1CC(C)C	9633276	NTWWRAJLFBKJIC-UDWIEESQSA-N	462.550	3.742	50	40	JHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)c1O	13477170	PEROORVBMMWETI-ZVBGSRNCSA-N	466.288	3.608	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	16137044	BBELJNJTFZRLJP-OVVQPSECSA-N	478.574	3.765	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1	16323057	CJBOZKNEFZUELP-LPYMAVHISA-N	466.401	3.517	50	40	JHGB	
CCOc1cc(C=NNC(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O	16688256	QVFIHMZEMDSMEY-XGBQYHFKSA-N	455.298	3.869	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)cc(Br)c1O	39724888	LUNVRENGKAWBEE-UWVJOHFNSA-N	458.106	3.785	50	40	JHGB	
O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	138613934	BGXUXPJMNAVDCQ-UHFFFAOYSA-N	459.713	3.810	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)c(C#N)c1C	408546278	FVJDJQLXSGCRGB-CFINBHSISA-N	460.515	3.705	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408790175	UPBOSLRXPGWCSM-LFYBBSHMSA-N	450.234	3.999	50	40	JHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12	408974209	DIZCAOOTNIQWSP-MZJWZYIUSA-N	453.481	3.633	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1	933093	OTCNUMSWMRAMKQ-UHFFFAOYSA-N	450.545	3.920	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1F	1434945	VOKUISVRBOBBQJ-DNTJNYDQSA-N	460.097	3.888	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN2CCCC[C@@H]2c2cccnc2)cc1COc1ccccn1	8740356	ZTBBEGXMZQANQK-MSHUQIKOSA-N	459.550	3.742	50	40	JHGB	biogenic
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C(O)[C@@H]2C(=O)OC)cc1	16994690	UUPWDGQHMOEESI-FGZHOGPDSA-N	479.558	3.713	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	20240495	KBYHDPPJEOGZFU-ZTKZIYFRSA-N	455.606	3.834	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccccc1	58881265	CVTKOHXAXLFJLT-AFUMVMLFSA-N	495.333	3.555	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(=O)OC)cc2)c(C(=O)OCC)c1C	408546737	OHSFENUSNDNNGY-GZTJUZNOSA-N	469.515	3.915	50	40	JHGB	
O=C(CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12	408673372	RPBWEPFONGOTNG-SYMSYNOKSA-N	494.183	3.700	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)OC	408676603	LHNLVWGOWOHVJP-AFUMVMLFSA-N	459.930	3.655	50	40	JHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1)OCc1ccccc1	408992974	VICUKIBHNXAIAD-HDNNTFNPSA-N	475.480	3.797	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C	409258471	UEEJAGYTBGPKSF-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)cc2OC)nnc1-c1ccc(Cl)cc1	1250148	PTTQHUXNOTVKQB-WYMPLXKRSA-N	489.985	3.887	50	40	JHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@@H](C(=O)OC)CC3)cc1OC	1770753	NPACDYJVJINSSN-IPJDOKCGSA-N	484.530	3.690	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1[N+](=O)[O-]	6134843	MVAVAXNVUZMDCJ-KSRKCLLLSA-N	481.509	3.528	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1	6245035	DLLRICMYSSQXLE-UHFFFAOYSA-N	488.529	3.704	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820457	SGOHFRZYCYZGSW-VNVABUEJSA-N	451.573	3.604	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1cc(I)cc(I)c1OCC	9233733	IRJVDKKSKJGLIK-BJMVGYQFSA-N	497.070	3.765	50	40	JHGB	
O=C(N/N=C/c1cc(Br)ccc1O)C1=NNC(c2ccccc2)(c2ccccc2)C1	15162813	ZJYORSHBHDWOHU-MFKUBSTISA-N	463.335	3.898	50	40	JHGB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)c3ccoc3C)c3ccccc3C2=O)c(Cl)c1	32709449	KZGPQTSPPUQXGK-UYRXBGFRSA-N	493.903	3.881	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1	36235315	ACMIXYWRFKPPBZ-ACVHBWFCSA-N	457.486	3.735	50	40	JHGB	
O=C(CC(=O)NC1CCCCC1)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58873134	BDLBORHRLLVTTM-YSMPRRRNSA-N	470.957	3.647	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58884671	MUTKMHMCDQWKKJ-TXNBCWFRSA-N	492.635	3.939	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1	408863482	MYODCAROIWAVAK-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)c1	409169448	PQYDTQLLXRLFRB-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409199600	IAUUFQGHXZMOTG-IMEWXKHHSA-N	463.538	3.805	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409244241	ZYBHZDJAFGNHAM-PDGQHHTCSA-N	457.324	3.657	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)cc1Cl	409254361	DMXJLOWGAZGICX-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2)c1	409266838	LHZZEJRXWHOGIQ-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)cc1	2421656	VZOJUSXKYMVQRS-FBMGVBCBSA-N	458.518	3.550	50	40	JHGB	
CCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	4156959	FEUHBYAIDMTQBZ-BYNSBNAKSA-N	473.161	3.680	50	40	JHGB	
CC(C)(C)c1cc(NC(=O)CSC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)n(-c2ccccc2)n1	14014021	PSRJGXKNZVGYLF-INIZCTEOSA-N	462.579	3.872	50	40	JHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(Cl)cc1Br	16136912	UJYQZAZCQYTQJT-FOKLQQMPSA-N	482.718	3.731	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2F)cc1	19816734	ATFDDTFRICBXAM-WGOQTCKBSA-N	468.554	3.546	50	40	JHGB	
COc1ccc(NC(=O)NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1	33568655	LXMRPVDCPYJLDG-UHFFFAOYSA-N	469.690	3.579	50	40	JHGB	
CC1CCN(c2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)n2C2CC2)CC1	40034447	YKDYXWMLKXEAQZ-UHFFFAOYSA-N	463.611	3.832	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21	100747837	FIRNDJIRMHFYIH-PCKLGSBKSA-N	453.546	3.676	50	40	JHGB	biogenic
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O	409025101	LLZLWUUUZDITAK-LFVJCYFKSA-N	457.939	3.781	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409166121	CQHJATBSZAMMFA-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)cc(OC)c1OC	409219316	PLENQJWHHZCQTJ-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	8819825	FNTWDAGIONUVBP-CYVLTUHYSA-N	468.604	3.613	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	23410575	SLHJVBZESCSASU-ZVHZXABRSA-N	486.937	3.589	50	40	JHGB	
O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	71788205	HJTHSJRWEXIILP-QFIPXVFZSA-N	478.457	3.929	50	40	JHGB	in-vitro
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	100191426	MDTJLNZFEWFFSO-CIAFOILYSA-N	451.351	3.967	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408818366	NYCXCFUGVOANPZ-MFOYZWKCSA-N	458.898	3.522	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1	408908638	XBSVNDVUYDQMCK-KHCKMINHSA-N	461.584	3.569	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409027282	FNIMUUYWXXPNCM-WNIQNGNASA-N	495.557	3.709	50	40	JHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC	409201572	WKSIDZRMGOXBHG-PWIYWSIBSA-N	459.502	3.919	50	40	JHGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)c1	409225250	NRXASBDSZIEAKC-QFEZKATASA-N	476.445	3.545	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1OC	409244439	CQUJLYGRSYQRPI-WSDLNYQXSA-N	468.266	3.697	50	40	JHGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3ccccc32)c1	40137486	ARZCPSKMSLVZGH-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1	58881354	NNBXUGHVCBCPOZ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1	96022464	CWPBRMMRXOLNRP-SLEBQGDGSA-N	499.409	3.701	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408802610	ZJLOZLKONYGUIH-YBFXNURJSA-N	454.324	3.959	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409166611	FQCHBCYQIKDSCT-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)CC1	17898313	FIMFXMQPNYQZOJ-UHFFFAOYSA-N	465.550	3.746	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59678849	MCIWMJUSADTZKY-OPEKNORGSA-N	469.881	3.673	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1OC	408602386	DHGATWPGWRMSSB-MUFRIFMGSA-N	495.963	3.745	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408663720	ONDBRTALWVLFFV-RDGPPVDQSA-N	489.355	3.905	50	40	JHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	408839154	NXKFSUCIPBCQNT-YDZHTSKRSA-N	463.406	3.528	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	408861286	BMQLNVUDNDVXTK-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccc(C)cc1	408906942	KVMCPWZRKNDJQJ-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	409026831	ZGJOFUPERKYNLL-WSDLNYQXSA-N	452.319	3.932	50	40	JHGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc(Cl)cc3)o2)c1	409158736	LKMBTGGNWBDEJF-XODNFHPESA-N	497.935	3.811	50	40	JHGB	
CCc1ccc(CC(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1	409365709	WFKSEWWWVMZEAW-MTJSOVHGSA-N	452.292	3.564	50	40	JHGB	
N#C/C(C(=O)N1CCOCC1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	2273030	XNJOOTSUTMAJAO-SEDGDDRASA-N	453.951	3.625	50	40	JHGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1	8685391	LOIWYVUTTLYBCL-RUZDIDTESA-N	490.496	3.880	50	40	JHGB	
COc1ccc(OC)c(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1	9018975	DHLWRYRLLTWRCQ-DICXZTSXSA-N	488.569	3.954	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(C)cc1	12250305	YKRMXONVHLIVOA-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
COC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	13856781	VZXCMAVXNYAMOB-APWZRJJASA-N	478.328	3.903	50	40	JHGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)c1	15225709	PPEDGNRHDSKUJB-MZJWZYIUSA-N	463.456	3.725	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1	19948615	MPWHYLILROVKGY-CVKSISIWSA-N	479.558	3.884	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccco1	20170651	UFHJIYQIMIZQRL-OAQYLSRUSA-N	480.502	3.985	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Cl	20213317	LEECJSJIKISPFE-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)cc2)Cc2ccccc2)cc1C	35352896	BXPTWUGGUPMCJI-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCC(=O)OC	408540770	BOQCXJAVUZQJJS-CHHVJCJISA-N	458.854	3.534	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCC(=O)Nc1ccccc1OC	409009156	XVEGQBXCLYHVHD-OGLMXYFKSA-N	490.560	3.941	50	40	JHGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2ccc(Br)cc2)o1	1868483	JBUCFVPEOKOBCL-UHFFFAOYSA-N	450.339	3.720	50	40	JHGB	
N#CC1=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	2115178	BUFMXRUFGFUNOW-NRFANRHFSA-N	493.407	3.676	50	40	JHGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)C[C@@H](C)O1	17247147	FGMWUZYGCGMLIB-BETUJISGSA-N	480.999	3.505	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(N3CCCC3)c(C)c2)ccc1I	32117161	DEOJIGJIKWUAJC-XKZIYDEJSA-N	463.319	3.972	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1	408606026	LAJIASYSCUTEHQ-SFHVURJKSA-N	479.508	3.918	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)CC(=O)N2)cc1	409319303	DGBORCBHYVGNBR-IBGZPJMESA-N	465.531	3.582	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(I)c1OC	979600	MBNULUNLEQHEMH-UFFVCSGVSA-N	488.709	3.881	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O	2403770	INTATJBXVRAIQK-NTCAYCPXSA-N	465.307	3.767	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1	8686288	MAQXVTMREDDJPB-JVWAILMASA-N	458.518	3.803	50	40	JHGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc4ccccc4c3)nnn2-c2nonc2N)c1	9291763	VJLHHXGUPFRWJB-JFLMPSFJSA-N	482.504	3.605	50	40	JHGB	
COc1ccc(OCCN2CCN(CC(=O)NN(c3ccccc3)c3ccccc3)CC2)cc1	23247973	AATGURLBRHCWFF-UHFFFAOYSA-N	460.578	3.561	50	40	JHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408750552	ORQFNVDHJPZXDG-WPWMEQJKSA-N	493.357	3.856	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OC(C)=O	408756041	QQFYFRONFWAIEY-ZVBGSRNCSA-N	477.340	3.502	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC	408809812	JLWCAGUJNIGZOV-ZDLGFXPLSA-N	472.925	3.913	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)cc2C)cc1	408828042	INOHAPGNSXYCGG-OGLMXYFKSA-N	490.585	3.860	50	40	JHGB	
Cc1sc2nc(CS[C@@H](C)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)[nH]c(=O)c2c1C	3428041	YFMBOMKYOANQMB-ZDUSSCGKSA-N	495.586	3.608	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1OC	8780714	LFVYHJZMKRSSBB-ZVHZXABRSA-N	460.372	3.829	50	40	JHGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2ccc(OC)c(OC)c2)NC(=O)c2ccccc2)c(OC)c1	13305690	INLMVGMRUCTSLK-MBWATOCJSA-N	489.528	3.642	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1ccccc1	15223155	QONJDAFZGJYCRQ-OGLMXYFKSA-N	466.497	3.946	50	40	JHGB	
CN1c2ccccc2C2=C([C@H](c3cc(Br)ccc3F)C(C#N)=C(N)O2)S1(=O)=O	20558317	FWIBVQBKOIKVJL-MRXNPFEDSA-N	462.300	3.544	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3O)n2-c2ccccc2)cc1	54367813	PGEJCMQJLKWQTP-MYYYXRDXSA-N	459.531	3.891	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C(=O)O)cc1	59334401	YRYHXBPFTICCKN-PXNMLYILSA-N	459.296	3.730	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	59435863	MREDBJIALIVKFW-WGOQTCKBSA-N	485.009	3.747	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2C)c1	408862822	MOTGCZVKUQKSLU-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1OC	408958219	XXCKKQZWGASPNB-FYJGNVAPSA-N	452.292	3.781	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc3c(cc2C)OCO3)c2ccccc2)cc1	409003298	RSWBIWZJJNODPM-QVGKIPNLSA-N	479.558	3.592	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1C	409170488	UZVPIFVCNOVUFO-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc2c(c1)OCCO2	409184138	IZTKZAMPFXFCGV-JBASAIQMSA-N	484.600	3.930	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1Cl	409253397	FYHFMPBDHZHMBT-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1	409273223	WEXDSHYYNUXPAK-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O	2395201	OYEPMBQLRPBJOC-DTQAZKPQSA-N	452.898	3.508	50	40	JHGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58872822	MVIOBPXNHXSFSJ-CCVNUDIWSA-N	475.936	3.755	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1OC	408606179	PAOFYFUWUCHEHH-NRFANRHFSA-N	462.531	3.789	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1	408610906	VBLCLCBYESCQNB-LQKURTRISA-N	465.937	3.737	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCC(=O)Nc1ccc(C)cc1	408966653	MUPHNFMYADUEKZ-CCVNUDIWSA-N	460.465	3.796	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1	409174552	NKIRPUMYYIQULW-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3Cl)sc2=O)c1	2222717	PMDXGEQVRGTTOG-LSFURLLWSA-N	450.303	3.727	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccccc2)cc1	8384317	ZGMIONWTQFXNBI-NLRVBDNBSA-N	469.538	3.960	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1	8398753	QAWIUJFNPDZBKY-CQSZACIVSA-N	452.338	3.944	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1OC	13550045	RMKXYXHYIFUAJS-OSLDRDPGSA-N	480.502	3.595	50	40	JHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc([N+](=O)[O-])cc1	15911768	BDNBNKURWBASPU-SGWCAAJKSA-N	471.561	3.842	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	19949059	LSHMUJBFZGMWSG-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1	19949908	AUAWBFIWGAKQFO-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1	19956744	QFJQEKXRSKMJSX-BUVRLJJBSA-N	498.586	3.971	50	40	JHGB	
CCOc1cc(OCC)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33613191	DRWGBQCXYUQAPX-MTJSOVHGSA-N	450.289	3.848	50	40	JHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1cccc(Br)c1	226336891	PIOYZTOXDHLMPT-AATRIKPKSA-N	456.134	3.802	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2OC)cc1	408744216	DLTNGGMGLJPWNI-JYRVWZFOSA-N	464.259	3.863	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)NCc1ccccc1	408746514	DYOVVDHIZNNUBB-NSIKDUERSA-N	494.139	3.898	50	40	JHGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	408751593	AFFHWAYBXODSGR-LGJNPRDNSA-N	492.329	3.993	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	408777484	AKUHIJFZRGTTEG-PCLIKHOPSA-N	480.546	3.811	50	40	JHGB	
COc1cccc(OC)c1/C=N/NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	408972511	UTJKAIRAMMPEJY-MFKUBSTISA-N	494.013	3.831	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1OC	409015104	AMDIYQGHYWEGDG-VYYCAZPPSA-N	497.935	3.904	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2cc#cc3ccccc23)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409051597	DFVAOZHGHSSPDA-CPDSRJINSA-N	473.414	3.949	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1	409310201	SBHISZPYJGRLJR-MOPGFXCFSA-N	470.934	3.798	50	40	JHGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccccc1I	1307006	JBQWFZAPCIXPAQ-UHFFFAOYSA-N	487.341	3.976	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)NNC(=O)c1ccc(F)cc1	2619480	NUOUSXYDDGAXKK-UHFFFAOYSA-N	483.475	3.905	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	19951395	YPHRWKNITISUHW-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1OC	105975369	XMUFYKVKUNEGNO-GUDVDZBRSA-N	489.475	3.805	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	408615255	OBEHERMWMGDNGH-OAHLLOKOSA-N	458.356	3.561	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC(=O)O	408811678	MTGMMOILHZIQNE-PXNMLYILSA-N	489.322	3.543	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(C(F)(F)F)c1	409185800	QGLXZHMEEAPEMF-UVHMKAGCSA-N	475.492	3.874	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)ccc1OC(C)=O	409220165	VBECWXYNGJTYQG-UHFFFAOYSA-N	481.892	3.601	50	40	JHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)c1	3366245	DRFRYRHYIBJDFK-UHFFFAOYSA-N	467.547	3.584	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccncc3)n2-c2ccc(OC)cc2)cc1	8575160	ROLSDOHIVWNZQR-WPWMEQJKSA-N	488.573	3.979	50	40	JHGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(CC(C)C)cc3)nnn2-c2nonc2N)cc1	9108977	CUAFRNAHYHJEDR-JVWAILMASA-N	488.552	3.651	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	9891937	DSQIILZDAJQERR-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(C)cc3)C2=O)cc1	13800397	ZISDZTJZUQORNO-RGEXLXHISA-N	453.589	3.746	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1	17517782	NXVVKGCBCKLUTF-UHFFFAOYSA-N	452.580	3.555	50	40	JHGB	
CCCC/C(C)=N/NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59443856	DOYIFEYIFPGZIJ-JJIBRWJFSA-N	477.583	3.590	50	40	JHGB	
C/C(=N/NC(N)=O)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296077	UZPOAUYHYVBDIG-ZORDJFOASA-N	462.550	3.777	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1ccccc1	408666704	RNXPFXONXBNLSH-MKXGPGLRSA-N	475.328	3.596	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1	408730131	FQUITRJAYXOSNP-SRZZPIQSSA-N	489.355	3.646	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1	408786718	VBHIBQLQEUHAKD-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cc(Cl)ccc1Cl	409025675	YDNRPFJBHUEXBO-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)cc2)cc1	409248951	GBZFBIFVRQJQDT-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccnc1	695604	VPPLYVWMUIAZBS-VSRRSJTHSA-N	455.975	3.756	50	40	JHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccnc1	1431065	WKFWNGLUMVIAJM-FOKLQQMPSA-N	469.251	3.735	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)nnc1-c1ccc(Cl)cc1	1473836	IUGAHMNXARDJHZ-FOKLQQMPSA-N	475.958	3.584	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c1C	13006105	YTYRWAOJVFOOLT-LICLKQGHSA-N	479.587	3.929	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1	15231304	ZMMCEEIKKLENKL-VULFUBBASA-N	499.589	3.666	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	19799248	ZHOBKJNMSNOEDT-LGJNPRDNSA-N	496.442	3.587	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)cc1	59436881	LAMFVRHFJIPKEF-HZHRSRAPSA-N	457.577	3.801	50	40	JHGB	
CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	59443747	ZLTHZNAXQKQSFL-UHFFFAOYSA-N	486.638	3.951	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(I)o1	98087093	ZCZCVEINFDVMFT-SSDVNMTOSA-N	471.254	3.503	50	40	JHGB	
Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)cc1	138899147	FIJYTRJVFXMBQV-UHFFFAOYSA-N	489.528	3.901	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1OCC(=O)Nc1ccccc1C	408606716	AJGYMQWXBHJLFZ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408609503	JZLZRNCFMYBTBF-MSPZFRCVSA-N	484.767	3.971	50	40	JHGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408791222	XJNCDMHHAXUOGK-MFOYZWKCSA-N	490.297	4.000	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	408927349	ZRZAWUDULKKUPW-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)S(C)(=O)=O)cc1	409027247	BXRWZKMSAIWFJG-YZSQISJMSA-N	464.591	3.791	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1F	409233338	VAYNNXXBEUHNPC-AUWJEWJLSA-N	462.275	3.668	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C	409272243	YAKOTSQAJOHYPB-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1	9140721	BEZDNRHIEPOHPV-UHFFFAOYSA-N	467.441	3.808	50	40	JHGB	
CN1/C(=C(\C#N)C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21	13098408	XYPBJDFMWGALMK-KQRQPNSISA-N	470.938	3.529	50	40	JHGB	
C/C(=N\NC(=O)C[n+]1ccccc1)[C@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C	17214984	QPEQWEAYMQPTFG-WACOGBTOSA-O	480.677	3.952	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(O)cc1	35409507	YKGAAXHFWOMGDN-UCQKPKSFSA-N	494.411	3.628	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(O)c1	36235479	VKLRVMYGIFVEIT-GOPJWACSSA-N	472.545	3.778	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408783823	NLJBKDWQSJGMED-NCELDCMTSA-N	451.548	3.821	50	40	JHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408785471	GEYNILOHURQTAB-RPPGKUMJSA-N	473.316	3.914	50	40	JHGB	
COc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(I)c(OC)c2)cc1	408950514	FWMOCANGEQIGGS-XKZIYDEJSA-N	475.286	3.863	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c(OC)c1	408980721	SPMXVHANJMEGCJ-NWJFTTBMSA-N	481.574	3.572	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)c2ccccc21	408998745	OARHLCLMHKAZRN-YABPMDJWSA-N	478.549	3.840	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1	409163039	KZVNLTFQUZBIKD-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1	409183310	ASCRORXMKAHVLA-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c1	409258949	YKKPGYNUBQEFJS-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1ccc(S(=O)(=O)O[C@H]2CSSC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	1617546	NHKHBQRGOSNFMR-ROUUACIJSA-N	460.620	3.546	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1OCc1c(C)noc1C	3364255	GSRPLIICKHEMMR-UHFFFAOYSA-N	474.311	3.716	50	40	JHGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	8911489	RNUPMQKYFHWFMK-QGOAFFKASA-N	490.006	3.791	50	40	JHGB	
O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	10728600	OUZSUXWEIHAWMX-UHFFFAOYSA-N	459.713	3.810	50	40	JHGB	
O=C(NNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(Br)cc1	13011374	QJTOGZPYHQBUPA-UHFFFAOYSA-N	450.289	3.699	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-]	28215715	NUVJCFCWAZSZOT-DHRITJCHSA-N	450.426	3.824	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	89781033	ZUOPYZWDLQBDND-RGVLZGJSSA-N	493.295	3.515	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	408809001	GQROZWNPXDPICT-OQKWZONESA-N	455.514	3.979	50	40	JHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc4c(c3)OCO4)o2)c(Br)c1	409162488	FLFXSWXXXXSZFB-KIBLKLHPSA-N	484.306	3.626	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	409185904	SIULNFCSKCMUTR-MFKUBSTISA-N	453.564	3.791	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1O	1242787	IBNDMDKKLBGLOG-DHRITJCHSA-N	464.938	3.931	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccc(C)cc2)cc1	1308297	RLUMAOPSVZKFAD-CVKSISIWSA-N	458.547	3.889	50	40	JHGB	
CC(=O)Oc1ccc(/C=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)c(OC(C)=O)c1	16321810	APIQBIGRYJPTTD-DICXZTSXSA-N	476.485	3.645	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1ccc(F)cc1	59101815	XLWBQVPITIOJPF-JFLMPSFJSA-N	465.481	3.901	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1	408763897	PSBPNEKAKOUUDQ-VULFUBBASA-N	489.557	3.831	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br	408972795	VNOSRJLGCDIDQC-HUHXJTTESA-N	490.398	3.826	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc(Cl)ccc2O)c2ccccc2)cc1	408982408	XVCSPPBDTLIFLK-JAMLUQCHSA-N	471.966	3.914	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	409051638	DLFSTRYRBWXUKG-JVWAILMASA-N	483.565	3.874	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	409062780	ARKSSJQFAQJCDM-WGOQTCKBSA-N	465.575	3.653	50	40	JHGB	
CCN(CC)c1ccc(/C=N\NC(N)=O)c(OCc2ccc(I)cc2)c1	409067800	ZPLYZQIUZQRADG-UUYOSTAYSA-N	466.323	3.719	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(I)c(O)c([N+](=O)[O-])c3)cc2c1	409186722	GZTOTCMLDWHOBY-UKWGHVSLSA-N	495.229	3.814	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409250448	LYCJQOXEZDZRDW-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1	409263563	HROBWIBATKNHAT-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1	9281742	DNAFWUGUGKNYJF-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	12250312	UIHZVHVMKQXOMK-FGZHOGPDSA-N	479.558	3.503	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19926398	JKGVARKJPUOTAA-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408812053	AZHZCENFVFIOHR-LICUMROXSA-N	451.328	3.850	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)c1	409164967	QGNSRSKKSGPDQF-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2CC)c1	409254578	FCVLJZWRUBHYIU-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1	409272132	OUNSANCIITWVJA-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccc(Br)cc3)n2C)cc1	667683	LRIPKGVEAWSZPU-FOKLQQMPSA-N	473.400	3.741	50	40	JHGB	
COc1ccccc1N[C@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	2744258	ZLDKTWLFICLWDA-KTMXNEEYSA-N	471.149	3.877	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3O)n2-c2ccccc2)cc1OC	4459776	PVKSYDWGBKFLAQ-YSMPRRRNSA-N	489.557	3.900	50	40	JHGB	
O=C(N/N=C/c1ccccc1I)c1ccc(I)cc1	10118442	MSMJWQHLKGDROR-RQZCQDPDSA-N	476.055	3.660	50	40	JHGB	
C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCc1c[nH]c2ccccc12	13134034	DYRLIEYEZBVGCN-SFHVURJKSA-N	455.514	3.946	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	14408702	YSFJYFVBFBZJEI-FOKLQQMPSA-N	458.312	3.745	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	16479439	JFPWUQRLQFHRQS-ZVHZXABRSA-N	486.937	3.589	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	58919263	DIAOAPWLFVYTKS-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408570215	SUAJERGNKHAWTP-YDZHTSKRSA-N	460.577	3.636	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408612663	WOZHCZMBGRJZQP-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)S(C)(=O)=O)cc1	408725368	FPIGISHRBGOVSO-KOEQRZSOSA-N	467.547	3.794	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br	408752218	GSMDHXMXIQQCAG-LGJNPRDNSA-N	492.329	3.993	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1O	409116263	PADIHVJUYMYTEJ-JFLMPSFJSA-N	499.564	3.580	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1O	409120116	YCTKAIAZDQJGDH-JVWAILMASA-N	495.601	3.749	50	40	JHGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Br)c2)o1	15938668	XOBHFJZUDLGKJV-NSPHSRALSA-N	452.308	3.689	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950539	JKZRMVWCISEMJQ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	20233284	JVUQMLOYXOKPGP-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	22234516	GNFPBGHTVDZENW-UHFFFAOYSA-N	471.970	3.885	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	28215732	KTROMZUSRRCHTM-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	408784133	SEGHVVCKMVYJIK-FOKLQQMPSA-N	492.863	3.573	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC	408910822	LMVRTWFPHXAWGW-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccccc2OC)cc1	409023438	XGXFROHNAKPUHH-PCLIKHOPSA-N	499.614	3.771	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C	409255841	JCIMCUDSHAQLLX-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1ccccc1Br	1445273	GJPUXHAQMMKDCT-PGLVWIQMSA-N	453.292	3.852	50	40	JHGB	
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccc(Br)cc1	9295840	CUCBUYSOOKVWBQ-DNTJNYDQSA-N	457.122	3.801	50	40	JHGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC	10059596	IVNWZLSNQBFOCE-VULFUBBASA-N	452.438	3.835	50	40	JHGB	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	10159921	FYQKDCQNENWCJN-UHFFFAOYSA-N	483.406	3.859	50	40	JHGB	
COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1	12292246	PFKGKXPDZUTGDI-WIOPSUGQSA-N	451.530	3.629	50	40	JHGB	
O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1csc(N2CCOCC2)n1	12803465	AYZCCRADBWNNKU-UHFFFAOYSA-N	493.976	3.923	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c(N3C[C@H](C)O[C@H](C)C3)nc12	13810768	YDIJORGUJIVUFH-WCMJNFEQSA-N	498.992	3.608	50	40	JHGB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C[C@@H](C)O1	17247155	VBAJRXFNTAUYOG-BETUJISGSA-N	480.999	3.505	50	40	JHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2	21899532	NWCHZWITSZXZQZ-UHFFFAOYSA-N	474.941	3.779	50	40	JHGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)F	33784847	GNWMRECWIBPFPH-IWIPYMOSSA-N	451.495	3.617	50	40	JHGB	
Cc1c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)ccc(Br)c1Cl	408688286	VWBFEYWUCLIXEM-OSXUWYOWSA-N	463.553	3.920	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(OCC)c1	408747550	PLILSBNLZBZMLS-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1	408844430	IPXMYPQUCMVJOX-PTNGSMBKSA-N	478.892	3.742	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)c1	409259724	DHIIWSYCYFCQDM-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OCc1ccccc1	17644023	LCSCSIKZGQUANF-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	23410916	XOVKJSWCGURAKZ-IIHIVLJSSA-N	464.390	3.585	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NC1CCCCC1	59960390	GGWQBRDVGQTEFZ-OGLMXYFKSA-N	472.545	3.756	50	40	JHGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccc(Br)cc1	408639911	GPYODMQHWFDEJI-NSHDSACASA-N	471.138	3.570	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	408677544	RNRHLEMLLFMDSM-ZVHZXABRSA-N	474.355	3.755	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	408791461	XVCRCLCSYRNFGY-LPYMAVHISA-N	458.367	3.699	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)c1C	409175824	VJHPOHLIRSMGCV-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	3146658	AZADRXWIVWCCFG-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21	6177650	RCEVYLRYGQIRTA-SFQUDFHCSA-N	450.926	3.911	50	40	JHGB	
O=C(NNC(=O)c1cc(Cl)sc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1	12548616	PRKKQDRIMMXEOW-UHFFFAOYSA-N	476.388	3.992	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2C)cc1	20060008	YTKSTGFRMGKBRN-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
CC(C)c1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	33345249	UWBVOHNXIVFUQB-YFKXRKALSA-N	467.529	3.668	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1	58882588	HGCNVBOHGYRRAI-WGARJPEWSA-N	451.454	3.624	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C(\c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccccc1Cl	104291181	BZPAJRJMTBCQFV-ZPDUGWTNSA-N	491.891	3.694	50	40	JHGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OC(=O)OCC)c(OC)c1	408999851	SKSJDBOONLAAFS-RXJBCPCZSA-N	496.520	3.519	50	40	JHGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	409071820	PUHUJXZXPHKIEN-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)cc(I)c1O	3091180	YNIQHFZAHPAQLA-AWQFTUOYSA-N	474.682	3.578	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(O)cc1	8763457	KHBSZCZPIOPQQS-GHRIWEEISA-N	475.617	3.677	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OCC(=O)OC	8812926	PQBPKXHYMPPIPE-AUEPDCJTSA-N	499.745	3.826	50	40	JHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Nc1ccc([N+](=O)[O-])cc1	12584052	VCMAGUDJCUDYBT-UHFFFAOYSA-N	489.897	3.516	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)cc1	14921783	QNPJHNQXZBIYIP-MFKUBSTISA-N	490.354	3.834	50	40	JHGB	
CN(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl	16186754	YFUQUYBUTSKQIJ-FOKLQQMPSA-N	466.346	3.623	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1Cl	26963878	PJXBSVFDWVMCOW-XMHGGMMESA-N	461.953	3.882	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	30803220	DRXQUTYQNUQRCD-KSEXSDGBSA-N	451.395	3.771	50	40	JHGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311842	VILNIASAAXMZIX-YFJBEONHSA-N	480.839	3.564	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2Cl)o1	409162119	CUZFPQASVJYKPM-FCUAXUHVSA-N	484.896	3.850	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)c2)cc1	409255684	IJNQTVHUGQBSBF-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1	1479444	WSQCYFDTOCDZNR-CVKSISIWSA-N	458.547	3.889	50	40	JHGB	
CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2)c(Br)c1	2551799	DSGSJBGIJLUUSA-UHFFFAOYSA-N	478.412	3.606	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)c2)cc1	9403066	HVIOMKARFFDRRU-WGOQTCKBSA-N	480.546	3.608	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	13401067	GCEJMCJJZKZYPC-FMIVXFBMSA-N	472.866	3.701	50	40	JHGB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)CS/C1=N\NC(=O)COc1ccc2ccccc2c1	13992197	VLEWKORSCYIIBT-GYHWCHFESA-N	450.476	3.602	50	40	JHGB	
CC(C)N(C(=O)CNNC(=O)c1ccccc1)S(=O)(=O)c1ccc(C2CCCCC2)cc1	48149735	MTZPRIALFWSIDE-UHFFFAOYSA-N	457.596	3.595	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58882054	GFXWNPMJSZNYAG-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	59516194	RTMNGVWDLKOZRY-CGOBSMCZSA-N	480.116	3.660	50	40	JHGB	
Cc1cc(Br)cc2c1N(C)C(=O)/C2=N/NC(=O)c1ccc(Br)cc1	100029647	VLEALNODTHGCIV-XSFVSMFZSA-N	451.118	3.631	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1I	3139845	HDPMLIWPTSWQGC-AWQFTUOYSA-N	458.683	3.791	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)cc1	3329871	YURKOWATSRLPIU-UHFFFAOYSA-N	471.966	3.544	50	40	JHGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)c1	9345061	ZAQAYZQVUKABOL-LQKURTRISA-N	494.515	3.729	50	40	JHGB	
O=C(NNC(=O)c1cc(Br)c(Br)s1)c1cc(-c2ccccc2)n[nH]1	9511906	IOKYPWPJJPPCOF-UHFFFAOYSA-N	470.146	3.738	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1Cl	17967991	RXFAHDIVTYLKTD-ZDEQEGDKSA-N	464.585	3.940	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	20210941	NBHIAILKXMJMQI-KIBLKLHPSA-N	467.391	3.641	50	40	JHGB	
COc1cc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	22532327	KKPFDKHLONZVSI-UHFFFAOYSA-N	451.548	3.862	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	34890816	JJKKEBVLLMTFGK-ONUIUJJFSA-N	465.575	3.735	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	59500461	HHEUPUMCAAMCMH-OYKKKHCWSA-N	478.417	3.885	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OCC(=O)O	408676663	LXUJXWSJNVBHOC-ZMOGYAJESA-N	490.354	3.675	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OC	408725399	FUWPYWJXVDJADM-YZSQISJMSA-N	481.574	3.824	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	408780660	HHQSFZUPHZNVOI-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(Cl)cc2)cc1	408784972	WLBJNWZYRFPSLE-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1C	408908660	XNUHUDOPCURBBX-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	409061922	KBDVQBPHHYDDMJ-RPPGKUMJSA-N	495.363	3.869	50	40	JHGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)NC2CCCC2)cc1OC	409190294	RQCLWWONMWDIPU-NTEUORMPSA-N	452.292	3.830	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1O	1061956	NEFWENFVZSFEGX-UFWORHAWSA-N	458.106	3.785	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCC[C@H](C)C3)nc12	2238432	SIZQWQLEUZKCTJ-QZMYASAMSA-N	455.562	3.505	50	40	JHGB	
COc1cc(OC)cc(C(=O)NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	2323088	VNFZXPFCGWDEFX-UHFFFAOYSA-N	486.553	3.868	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1O	4179000	RLHFCBRPMUQNLT-GOSISDBHSA-N	453.296	3.876	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC	6166380	VCDSGHWGXFRBNE-OQXNGVQHSA-N	468.579	3.701	50	40	JHGB	
CNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccn2c1=O	8682496	AGWIFZLTLNLBNL-XQNSMLJCSA-N	463.541	3.863	50	40	JHGB	
CCN(NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1)c1ccc(C)cc1	10024320	LNRQODHWFONCET-JOCHJYFZSA-N	493.633	3.979	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1	20207962	FNCUARQYAHQGBM-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	20213471	YCPSSPNPPFEDCO-OGLMXYFKSA-N	470.554	3.679	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408608996	IVPJVKFNJFNALW-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408951969	JKDKCMIHGFWCDJ-PCLIKHOPSA-N	467.547	3.601	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	409013554	BHEBCJNKHMDJFE-MZJWZYIUSA-N	497.935	3.904	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(OC)cc2)cc1	409223704	HWAHPCHTKNXFTH-KZEFCZHLSA-N	475.457	3.995	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1	2162929	FMNNLSKSBCXUBN-OEAKJJBVSA-N	461.927	3.677	50	40	JHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCC)cc2)sc2c1CCCCC2	2234737	BPPOZWNTDRVDPS-ZVHZXABRSA-N	457.552	3.681	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)n2-c2ccccc2)cc1	2235362	DHGVYUZEUILZOX-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250330	ACYJLHOQISOCEC-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2cccs2)cc1	20288757	OUGGYPCQIUDFTK-ZHZULCJRSA-N	450.495	3.855	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc(OC)c1OC(C)=O	20549843	ZDFAZSIZCHIGQN-OVCLIPMQSA-N	458.492	3.801	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c(OC)c1	58913612	ZLNCJUNWRMGJCR-DHRITJCHSA-N	499.365	3.963	50	40	JHGB	
Cc1c(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)sc(N)c1C#N	254485052	AOCVCLARJCQEEY-UHFFFAOYSA-N	458.135	3.505	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1O	408773743	XAPFFPYKUVUPDO-ATVHPVEESA-N	456.340	3.809	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	408779230	SLJSYCSMKYDCHJ-RPPGKUMJSA-N	473.316	3.914	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)OC	408788051	AKHVWKMMXRPXID-OQLLNIDSSA-N	459.296	3.945	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccccc1Cl	409334053	RFCHTWXLAYYLIR-ZVBGSRNCSA-N	479.305	3.698	50	40	JHGB	
Cc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820529	FBLMIIVZIOGVIR-AYSCHJFGSA-N	465.600	3.994	50	40	JHGB	
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(C(=C=N)C#N)N[C@]2(O)C2CC2)cc1	34868940	BQBFBDKQCOAIEK-QTJGBDASSA-N	475.370	3.548	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(=O)Nc1ccccc1	35145619	OFPQRMWTELQWGG-WGARJPEWSA-N	496.907	3.967	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c1	408842531	PZCNTQPRZYSCSR-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3Cl)o2)c1	409165165	UDPJNALOYIJNDS-NKZWWHGNSA-N	497.935	3.811	50	40	JHGB	
CCCCOc1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1OC	12695643	PCOPIQPBHANDNP-UHFFFAOYSA-N	472.929	3.971	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)c1	14186141	VZTMGZWOARBDCA-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1	20209831	FNPZJXIDWBAVAM-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
O=C(N/N=C/c1ccc(O[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1)c1ccncc1	26967149	ZWKCSNUQAWFDRL-BPDXMKQKSA-N	481.723	3.944	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1cccc(C(=O)O)c1	33445281	OMYKJNWSSCZOLK-VULFUBBASA-N	461.474	3.695	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I	409221312	OIXBFCAWBBTPRA-KEBDBYFISA-N	482.347	3.505	50	40	JHGB	
C=CCn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21	409361306	GWHMQLNYJVLTCP-FSJBWODESA-N	458.303	3.994	50	40	JHGB	
CC[C@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1cccc(OC)c1O	2743181	SZBCUZIWYYBZFC-FPQGOQEYSA-N	467.307	3.655	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC	2887944	VCDSGHWGXFRBNE-UJGSYMHQSA-N	468.579	3.701	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1	9290879	XWMVFTRZBFYBJF-VFAFIFLJSA-N	496.972	3.698	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)cc1C	20059238	SYBKJMAAXQWHGD-MFKUBSTISA-N	480.546	3.942	50	40	JHGB	
C[Si](C)(C)O[C@@H]1C=C(C(F)(F)F)CN(C(=O)NC(F)(F)F)N1C(=O)NC(F)(F)F	219792794	DADNRMXPFDMMQP-SSDOTTSWSA-N	462.345	3.644	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)c1	408745322	LNJDHTIRIOUECV-QPEQYQDCSA-N	464.259	3.950	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cc(C)cc(C)c2)cc1	408769619	XLCWDXADTOEQHG-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408844459	CVSPHFIKVXRQKZ-KPACTLERSA-N	494.511	3.698	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1	409115255	LCBDRKCJEAZOHS-WGOQTCKBSA-N	479.558	3.650	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@H]1c1ccco1	409146623	UYWRASNKPVABIN-LLVKDONJSA-N	450.289	3.892	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	409161126	WSBGKCJDQJBXQQ-ZGCZVDSBSA-N	492.488	3.797	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)sc2ncnc(N)c12	409331244	DKONZCOAMHBELQ-JRXWSOMVSA-N	455.883	3.957	50	40	JHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1Cl	409410392	WIGKYSKBLGIFGI-USEHDAJUSA-N	465.849	3.608	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc(Br)c1O	678273	VHXMCOVJVVQBIY-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C/c1ccccc1[N+](=O)[O-]	2676003	CNZPICSLNILZGS-OEAKJJBVSA-N	461.316	3.798	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	3025054	WYWLLDUVXLWAEE-WRHQLWEMSA-N	463.519	3.644	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2cn3ccsc3n2)ccc1OCC(=O)Nc1ccccc1Cl	9635269	FRSHVGTZLGJSDE-BRJLIKDPSA-N	497.964	3.768	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1	9768138	CCDWHDILYLMCBU-UHFFFAOYSA-N	484.651	3.665	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	15225331	NWHPXHAUCWGHCR-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
O=C(COc1cccc(NC(=O)c2ccco2)c1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	40086637	JDSHSQMZDIOXEW-UHFFFAOYSA-N	464.356	3.981	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)S(C)(=O)=O	58853469	VVSUCCMHHQYLMY-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	58925319	MAWGIGGAYMMPJG-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100191685	WZJJIHXJHYGVHR-UUYOSTAYSA-N	481.377	3.976	50	40	JHGB	
COCCOCOC(C)(C)[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195781617	IABCDGQGRMGLKB-XMMPIXPASA-N	460.687	3.730	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1F	408883839	RFQPYRNGWCRUBX-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	409159453	ZXSKEZPWEDRDBS-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1	409259484	ZWTBFHFDHJMCSL-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)C1	8771350	VACBKVNOWBZPAU-XWALVKJWSA-N	482.544	3.723	50	40	JHGB	
Cc1occc1-c1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1-c1ccccc1	9336351	OVMSKBXKTXMGTR-UHFFFAOYSA-N	497.964	3.808	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br	12040161	PAKFMPPZSXMTMP-UHFFFAOYSA-N	452.736	3.899	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(O)c(OCC)c4)CC(=O)N32)cc1	12275245	QWWLVYUSIMTMDQ-UUOWRZLLSA-N	452.532	3.833	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1	20461320	RPNYQVNKCALBDI-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(I)c1O	32561688	AWJRHTGIXACAMG-ODCIPOBUSA-N	488.709	3.805	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c(OC)c1	34688565	JGIFLXHHQQJYER-ZMOGYAJESA-N	452.467	3.792	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	102003890	RYQZQTPYOPTEQD-KZNAEPCWSA-N	470.348	3.540	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	408769645	YFHUJICVSUVJIO-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	409056428	RGQMPPYRBITSTB-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409254959	GMEXQSUTYYJXNJ-VYYCAZPPSA-N	471.542	4.182	50	40	JHGB	
N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NCCc1ccccc1	3644038	GOGUNNOXLIRGNX-KNTRCKAVSA-N	454.461	3.892	50	40	JHGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1	9088493	NHSOAHFHOMQMMR-BUVRLJJBSA-N	471.308	3.750	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(OC)cc1	9804801	QAFFXDJWMFDLRK-RTWAWAEBSA-N	499.976	3.767	50	40	JHGB	
N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2cccc(Br)c2)c2ccccc21	11692104	PBIBQLKGINWYNS-VXPUYCOJSA-N	475.302	3.783	50	40	JHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2	13074669	NEEVEPRUGGWHHJ-MZJWZYIUSA-N	468.469	3.803	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc2c(c1)OCO2	13138146	YBJDNFZBQVXMON-CRLKXESRSA-N	451.523	3.738	50	40	JHGB	
Cc1ccccc1Nc1nc(Cl)c(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)s1	23096918	KZNBSLBHBTXTPX-FOKLQQMPSA-N	452.927	3.859	50	40	JHGB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	408664046	IULCPYGIJHPVHE-XQFWAAQXSA-N	480.561	3.922	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1[N+](=O)[O-]	408692000	BBIAUHDRYXOLPJ-UVHMKAGCSA-N	481.484	3.880	50	40	JHGB	
N#C/C(=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(N)=O	408851422	ZBGWCRBNSSSOEU-ATVHPVEESA-N	455.923	3.716	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1OCc1ccccc1)OCc1ccccc1	408991343	QFOUNNYXJANSPY-DTWZTBRYSA-N	497.555	3.977	50	40	JHGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1	36635931	UUXZWCDMNROHEF-DTBMRADHSA-N	461.465	3.886	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	408725123	CWBFCSIGRXXBTF-OVVQPSECSA-N	478.574	3.765	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1	408761170	CPBXYZLKQFWLPH-KPKJPENVSA-N	450.232	3.560	50	40	JHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNC(=O)OCc2ccccc2)c2ccccc21	408813869	FSWIWMPODMGSCW-FJEPWZHXSA-N	465.513	3.938	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408871923	ZQHFUBVRRTUTQN-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409265681	NSMDVRNSJGNZMA-VHAYKOJPSA-N	498.889	3.741	50	40	JHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)c1	2551639	HFCBUXMDTOYQBP-VGOFMYFVSA-N	476.533	3.735	50	40	JHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(I)cc1	13573643	RCUATVBMELBCGT-ZMOGYAJESA-N	479.362	3.872	50	40	JHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	16440822	SKXGNFOJESOCSA-XDJHFCHBSA-N	469.526	3.732	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	19926324	UHFIUJKCQHKJFL-MFKUBSTISA-N	485.949	3.611	50	40	JHGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	20214541	ZZKUJOYMFLJEPQ-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408612993	YEPLYSVIVSCGAJ-NUGSKGIGSA-N	470.726	3.795	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OC)c1O	409010111	ABVASZKDZQRFIE-SQEMJAKJSA-N	481.593	3.806	50	40	JHGB	
O=C(Cc1ccc(F)cc1)N/N=C/c1cc(Br)cc(I)c1O	409238978	XYOAJQLWFJIRKV-UFWORHAWSA-N	477.071	3.591	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC	409248043	FRQJAVKFTIQTCL-SSDVNMTOSA-N	477.384	3.509	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409304119	QCLXVQYXEXXFFJ-SFTDATJTSA-N	499.976	3.848	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1C	1440630	RDQRFRFZMRKCHD-IFRROFPPSA-N	472.133	3.769	50	40	JHGB	
COCCNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O	2201389	KMVKPVISUOCPRB-HKOYGPOVSA-N	493.567	3.571	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4OC)c(=O)c32)cc1OC	2359921	RWVKVDCVIWTZJN-XMMPIXPASA-N	473.529	3.839	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1	8768056	GUDCIVDRTGIETH-JOCHJYFZSA-N	475.457	3.971	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@H]2C1	8816920	MHNGKVQLUWEUOZ-NZQKXSOJSA-N	453.502	3.730	50	40	JHGB	
CCOC(=O)N1CCC(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1	9403857	XCHBRYHIXBKFMR-UHFFFAOYSA-N	478.578	3.751	50	40	JHGB	
C/C(CC(=O)Nc1cccc(Br)c1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C	16249995	WMAQCOMFWWQEBR-BHGWPJFGSA-N	465.735	3.870	50	40	JHGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	20573172	LOABJOHZCNHVQJ-MBSDFSHPSA-N	472.545	3.545	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(=O)O	408793736	GCSIFDQSYGLFFH-VGOFMYFVSA-N	492.269	3.617	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1	408974546	ZPKXVUQCLUEXOY-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409112966	MTLFPPMXMNIJKA-WGOQTCKBSA-N	473.957	3.863	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OC)cc2Br)C2=C1CC(C)(C)CC2=O	409146274	KKRNHDGQRSKHOC-FQEVSTJZSA-N	490.398	3.849	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1054830	WGOGJUXOBWXUBB-AFUMVMLFSA-N	463.446	3.660	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1	2077054	BPSGBVABJTVWIC-ZVHZXABRSA-N	474.922	3.889	50	40	JHGB	
COC(=O)c1c(C)cc(C)nc1SCC1=C(C#N)[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O1	8768327	HWPZNKMYONYRDR-OAQYLSRUSA-N	462.531	3.871	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2Cl)cc1	9262654	MENOIJZPAGLJCP-BUDOKORBSA-N	453.926	3.868	50	40	JHGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O	20558693	SDMHQQJYKAZHFH-QFIPXVFZSA-N	456.527	3.917	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(C)n1C[C@@H]1CCCO1	96129926	QFEXNZZPDGGAFZ-VOZFUJEASA-N	479.556	3.706	50	40	JHGB	
CCC(Cc1ccccc1)=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12	254737055	WVJQTMDJTRUZPB-DEOSSOPVSA-N	467.529	3.519	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1	408603324	GIGAADYABAHXEQ-LQKURTRISA-N	465.937	3.737	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1	1474526	QAKIIDUZWSJTHX-VULFUBBASA-N	489.557	3.905	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1O	9662527	ZQBOGTFSUQPLJY-OQLLNIDSSA-N	483.322	3.507	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1	19926594	NYGVRZPTXGZFIJ-CVKSISIWSA-N	499.976	3.857	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1	33482504	XLNZJDNCNCKVHP-CFRMEGHHSA-N	480.433	3.950	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1	34759518	QJPHJJIDPUZXAA-VULFUBBASA-N	464.474	3.754	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl	408609213	JRWUMNDENSJNPW-QNWFPCQTSA-N	494.375	3.716	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1	408855292	BYMXROQYXGQKIW-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	408922535	OVKBIFZPTJQZEL-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(F)cc1	409013914	OLVRMNOCRCRRMT-UFFVCSGVSA-N	456.255	3.878	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1ccc(Cl)cc1	409062983	DXKGDLNQOOZHJY-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
N#C/C(=C\c1cc(Br)cc(Br)c1OCC(N)=O)C(=O)Nc1ccc(F)cc1	409254476	DNKSPVXGNKXYFJ-VZUCSPMQSA-N	497.118	3.760	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)cc1OC	409320363	ANUFENOIZLYRQR-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc(OC)c1OC	713545	DKUXYLZPWIBEEP-JOCHJYFZSA-N	476.489	3.925	50	40	JHGB	
O=C(NNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1	1622797	WQOFKOQXKBPZJP-XSFVSMFZSA-N	479.880	3.872	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(I)cc2)cc1Br	10118459	XETUCNHYRIEYOT-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1	26966473	QFXWHGSOTKFVEP-HMMYKYKNSA-N	467.489	3.757	50	40	JHGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	28213600	DXJVYLJUBHGIFL-LGJNPRDNSA-N	451.548	3.667	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	90506808	RWUGHSAOGYAZIS-SECBINFHSA-N	490.173	3.552	50	40	JHGB	
O=C(COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl	408663199	MCYYSVIQKPCJDP-UHFFFAOYSA-N	479.920	3.789	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2O)c1	408745338	LVYXOLCXSSRTLP-QPEQYQDCSA-N	464.259	3.950	50	40	JHGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408809132	IEINJRINGHUYDA-OPEKNORGSA-N	455.854	3.675	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)ccc1O	409025212	RVIZQBVIBKEBSU-WGOQTCKBSA-N	481.574	3.829	50	40	JHGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O	409070694	OONWXEQRJZMBJF-SSDVNMTOSA-N	497.187	3.826	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(I)c1O	409202616	SEYDQLYHKSSLBW-UFWORHAWSA-N	476.723	3.901	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	409409687	QBFPBGJXEVXQKO-GYPNLSDOSA-N	485.452	3.684	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(OC)c1O	863810	ABTQTQXQEMJDAM-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cc(Br)c(Br)o1	3764540	IQUBPWSWYDWIQQ-YUYIWDJPSA-N	491.205	3.700	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	19951539	WHACAYVMNOLWHX-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	20060186	OXXMVRPURFOWFO-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	20214427	UFBLDVLLVNJFPN-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1	20934122	RYTNHOKMODNUCY-LGJNPRDNSA-N	476.558	3.882	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1Cl	59401698	UZVCGBSWCRANLJ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
O=C(CNc1ccc(I)cc1Br)N/N=C/c1ccc(F)cc1	1424090	NESJVQQMVWPYPI-DNTJNYDQSA-N	476.087	3.755	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/C(C)=C/c3ccccc3)nnn2-c2nonc2N)cc1	2201228	XZKLZBLLJJNVIU-PSBACRCVSA-N	472.509	3.507	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC	8427142	NVUVHHLMCAEFRX-MBWATOCJSA-N	488.500	3.923	50	40	JHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1ccccc1	9096134	IHQGOLCNGUEJLB-YDZHTSKRSA-N	463.328	3.640	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)cc1	20240506	JBPDQPAMQWAUQP-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)cc1Cl	409061954	KLEVNQGRVMDHSU-MUXKCCDJSA-N	453.889	3.892	50	40	JHGB	
C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409131721	YTAWOCFSHKPXCJ-SFHVURJKSA-N	491.329	3.595	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)ccc2C)c1	409258174	WUMZVESSKHYGOL-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1OC	1434325	HTCZGXGAGBHXKK-AWQFTUOYSA-N	472.133	3.758	50	40	JHGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1O	2318944	PYIIOGVSFMDLMU-FSJBWODESA-N	486.395	3.921	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CCSc3ccccc3)cc2)cc1	9130257	YPGHWKVIMCDNPH-UHFFFAOYSA-N	499.614	3.830	50	40	JHGB	
COc1cc(/C=C/C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1O	13148163	JLUQIKDIMNPHQY-FYWRMAATSA-N	454.486	3.728	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	20214443	INNZYDREXKHKJQ-KOEQRZSOSA-N	496.545	3.729	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59303023	VXTHHYOCYGYNPN-XODNFHPESA-N	486.484	3.568	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1	408546939	PDGMQKUVRHMIBO-LICLKQGHSA-N	466.515	3.766	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408773418	RAPBPZQJOHETLU-NLRVBDNBSA-N	469.538	3.960	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409034785	RAPZMTGPSLTLFI-SAPNQHFASA-N	457.486	3.729	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])cc1	409222659	CYEXYODECUSVHT-OXWYTDJFSA-N	461.430	3.692	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC	1783643	XVEGNCMHBLUZMN-WEPAEKJRSA-N	468.579	3.846	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1O	19956711	KOJBDTBEQCGNRV-MFKUBSTISA-N	499.614	3.777	50	40	JHGB	
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1	27027001	SQHNMXXHDOCJJW-RELWKKBWSA-N	453.546	3.785	50	40	JHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)[C@H]3CCC1	57061290	LVVFEYYABXQTNM-SFHVURJKSA-N	474.458	3.660	50	40	JHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58881761	DNSNFJDRAASPMX-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
COc1cc(/C=C2/SC(NNC(=O)c3ccncc3)=NC2=O)ccc1OCc1ccc(F)cc1	96905114	GJFBOUGXMQMNNS-FYJGNVAPSA-N	478.505	3.713	50	40	JHGB	
CCOC(=O)Cc1cs/c(=N\C(=O)/C(C#N)=C/c2ccccc2)n1C(=O)/C(C#N)=C\c1ccccc1	102932435	MZMZULLIFGTMEV-LEWCDEIASA-N	496.548	3.937	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC(=O)OCC	408788008	CCBBLQLQUDLFMS-QJOMJCCJSA-N	489.572	3.621	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1	409028102	HGUGUKFGXMJWFX-NLRVBDNBSA-N	465.575	3.993	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OC	409249725	ODPFFBSOGXNQBA-AWQFTUOYSA-N	453.362	3.506	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1O	2304650	UOJUYNWHVRFLQJ-SFQUDFHCSA-N	456.340	3.809	50	40	JHGB	
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2620716	LWOVKLUJJAIRCJ-UHFFFAOYSA-N	494.558	3.516	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(I)ccc1O	3149970	UZSHIIWJEAWBMO-FBCYGCLPSA-N	465.074	3.833	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N32)cc1	12275917	IKHRDDTTZIHHPP-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20212661	BLVACRAQMLVEHY-FSJBWODESA-N	490.925	3.733	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cccc(C)c2)cc1	408778777	KKKSHWFJIZDCQC-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1OC	408804976	HZTOJAJWRDTNDC-CJLVFECKSA-N	491.588	3.797	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(Cl)cc2)cc1	408864682	YECQSXUCXLOJAF-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1	409025594	UFABMJGXXATZJK-WGOQTCKBSA-N	479.558	3.512	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	19949183	WYFYTHZEMINISW-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1Cl	20213027	WYSCLYZERSTFAL-FSJBWODESA-N	490.925	3.733	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1	30968150	GYXGAIRKJMLYGF-YUMHPJSZSA-N	477.517	3.884	50	40	JHGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1Br	100097062	YWVAVBOGPOXJFB-HXUWFJFHSA-N	480.318	3.808	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc32)cc1	101027873	OEWIJFUWNWXLRL-HFTWOUSFSA-N	479.945	3.841	50	40	JHGB	
CCN1C(=O)/C(=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21	102976858	KYBSMWULOVBGLG-WEMUOSSPSA-N	482.569	3.913	50	40	JHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl	408611626	RFNSBDRFCFPRBW-LSHDLFTRSA-N	452.736	3.656	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	408772170	BXBYLEBAUMFMLL-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1C	408878830	CEAGBPNGHHZXCP-LGJNPRDNSA-N	452.898	3.569	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(OC)c(OC)c1	408907742	QLJAODVFGLUCGE-HZHRSRAPSA-N	488.393	3.707	50	40	JHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408967778	UTWQJBWNFBMCDT-LQKURTRISA-N	489.601	3.913	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1C	409123698	IFBJTIRUDYZWJA-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC	409316841	REGJDXSTFGUBNI-DICXZTSXSA-N	477.517	3.802	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nnc2-c2ccccc2)cc1	1477651	AVBINCDOONVVTI-UHFFFAOYSA-N	498.568	3.898	50	40	JHGB	
O=C(CCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1	8398002	RDMDWKOEULXDOQ-UHFFFAOYSA-N	493.391	3.946	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1OCc1ccccc1	20213795	OFFLUBSAYHUOPS-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
O=C(O)[C@H]1[C@@H]2C[C@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)Nc1cccc(Cl)c1	102066633	WKVHFFTUPXLELD-RJRAAQABSA-N	451.542	3.772	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1	408892702	BXSRAUBUSHDUMF-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1OCC	409007617	YHXOYQBGWWNDOT-MTDXEUNCSA-N	497.592	3.894	50	40	JHGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)cccc2[N+](=O)[O-])cc1	409225227	NNZDZJHCBBJSAC-QFEZKATASA-N	476.445	3.545	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br	8768467	OLFPBIDPVRVOBW-FSJBWODESA-N	462.344	3.952	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC	10476034	JNDUSRDGYNZSQM-AFUMVMLFSA-N	462.930	3.772	50	40	JHGB	
O=C(COc1cccc(Cl)c1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12768057	KSRWSHVTOAVUGL-UHFFFAOYSA-N	494.356	3.634	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1O	19956940	GTJWCBMXGZZRKH-PCLIKHOPSA-N	467.547	3.521	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1	20228504	JVFFQBXVZUNLGR-UHFFFAOYSA-N	495.964	3.626	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21	40137615	TVGKVGSLOPFVRS-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C)cc1	59490191	OPNYVTCWASDUDI-OVVQPSECSA-N	497.548	3.641	50	40	JHGB	
O=C(NNC(=O)c1cccn1Cc1cccs1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	59853431	IKAZEJFNTLQHQI-UHFFFAOYSA-N	468.542	3.920	50	40	JHGB	
O=C(NN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)c(Cl)c1	408656988	TUZAXFXXZHUYEG-JXUBOQSCSA-N	498.986	3.560	50	40	JHGB	
C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1)c1ccccc1	408688312	VYOYBMIEPQMAQL-DXQMDTFSSA-N	483.362	3.687	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(C)(=O)=O	408855250	AUXSVUQZOYTZDH-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(Cl)c1	409167338	IKEUEKGWCAXTDD-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(I)c1O	409362186	IBCZFOLUXVPRHN-ZVBGSRNCSA-N	473.698	3.611	50	40	JHGB	
O=C(N/N=C/c1cccnc1)c1nn(Cc2ccc(Br)cc2)cc1Br	1091883	AXCXSFIBNVMLKX-ZVBGSRNCSA-N	463.133	3.615	50	40	JHGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)sc2c1CCCC2	1410543	XDAWHCZGSTWAKE-XMHGGMMESA-N	467.591	3.977	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12	8834022	GPGJEJUNCOOXHD-HVXMHETLSA-N	474.529	3.521	50	40	JHGB	biogenic
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1c2ccccc2cc2ccccc12	9913727	RDAHPAZOQFEOKU-HQYUJTHISA-N	460.497	3.669	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@@H](C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	13940941	WKVXYBZXUNPGBM-PZIWGWIQSA-N	483.908	3.640	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)cc1	20197950	JZCQFLJNAQOLPH-FSJBWODESA-N	479.327	3.562	50	40	JHGB	
O=C(N/N=C/c1ccc(O[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1)c1ccncc1	26967158	ZWKCSNUQAWFDRL-QZUPYORJSA-N	481.723	3.944	50	40	JHGB	
CC[Si](CC)(CC)O[C@@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O	253488611	BFEHWXCZKFZQCB-PLACYPQZSA-N	469.563	3.584	50	40	JHGB	in-vitro
O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408677966	CHSJRIYXGPPLDF-VWQYPGANSA-N	473.298	3.588	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	408758912	UPZJFIRKZDWJSF-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC#N	408807135	CDIFSIMTACOMQT-JYRVWZFOSA-N	477.233	3.887	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C)S(C)(=O)=O	408865736	DUGSELUGSFYREN-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	409017141	FBTRHMZQEJAPND-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc(C(C)C)cc1	409268627	WUDFVYFJUQLOIF-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OC)c1	2774453	GJVGTDDLPAFOOB-OQLLNIDSSA-N	459.296	3.945	50	40	JHGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3)C2=O)c1	8819211	VXQWOGRIBTYLMU-AQTBWJFISA-N	472.548	3.728	50	40	JHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(OC)cc2)sc2c1CCCCC2	8829899	HWDHSWJZBUGTCI-AFUMVMLFSA-N	457.552	3.681	50	40	JHGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	9460929	LKINIYIINJWXBB-PHJXOXRPSA-N	492.626	3.862	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	19953066	ZKVKSLJRVZJNGD-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)c(Br)c(Br)c1O	30952395	BCSMSVAJNOHZOU-ZBKNUEDVSA-N	457.122	3.783	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])C2CCCCC2)c(C)c1	33510875	PFOKEAVHOUXLEZ-MYYYXRDXSA-N	486.594	3.994	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(OC)cc1	109042559	IQIYIQPRSZBBNJ-YSMPRRRNSA-N	492.488	3.784	50	40	JHGB	
COC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408570783	YMKYQYZSRNPSND-WYMPLXKRSA-N	469.588	3.822	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	408769604	WSIVIAOKAJBWES-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)ccc1C	409261897	FSPPPETWTPDURW-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1	9345865	MSBWQPGDXBIXSQ-KNGGAZFVSA-N	489.601	3.613	50	40	JHGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C	12801844	NNBLULOYNWEXMM-UHFFFAOYSA-N	453.314	3.526	50	40	JHGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	19952325	DHECJXKKUZLVIR-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1	23411016	WQTGNLSPBRQVKK-UFFVCSGVSA-N	450.289	3.890	50	40	JHGB	
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1cc(Br)c[nH]1	23914059	UTACETRDORHILG-UHFFFAOYSA-N	456.325	3.766	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	59246540	LCRBVFOLYIUCLF-YSMPRRRNSA-N	482.378	3.964	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C)S(C)(=O)=O	59401646	WPQZPESDXNZMBP-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21	103041220	TVGKVGSLOPFVRS-ZZIIXHQDSA-N	463.921	3.973	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	408586378	BOWUALDNJBOABW-FSJBWODESA-N	467.438	3.692	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)ccc1OC	408603217	FDJWUCBMIBTBKG-NRFANRHFSA-N	462.531	3.789	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409051042	HDZFAVZWFNMNSE-LSFURLLWSA-N	469.719	3.735	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2Cl)cc1	409156915	PJLQGQZRJXNCDS-MUFRIFMGSA-N	492.963	3.686	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1	409185712	OXSOUNLDYINZGE-ZXVVBBHZSA-N	493.585	3.756	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1	409263871	NBGUTUWXELUQEW-LDWYRGJHSA-N	461.493	3.917	50	40	JHGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(I)o1	8842952	ITCARADWOADLIW-FBCYGCLPSA-N	467.141	3.504	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816796	KSDKTWVJPLBKTB-UHFFFAOYSA-N	459.568	3.644	50	40	JHGB	
Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558638	KOBKRPCAUXDZCS-QFIPXVFZSA-N	456.527	3.917	50	40	JHGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Br)cc1	102649882	DPJPUAWHKXUMBT-USZNOCQGSA-N	465.967	3.876	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccc(F)cc1	408737908	JTITWWMKWTVVLQ-CNHKJKLMSA-N	463.044	3.662	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC(C)=O	408758399	JQIDCODCRGNCGE-AWQFTUOYSA-N	470.117	3.909	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1	408908640	XBSVNDVUYDQMCK-ZDSQJECRSA-N	461.584	3.569	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1	409063436	KTNWLSUTQGUIPF-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1OCc1ccc(C(=O)OC)o1	2657091	IERHGEAORHORGS-UVHMKAGCSA-N	476.489	3.544	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1OC	4647427	AAGMNKSAMCXAQZ-QHCPKHFHSA-N	488.500	3.543	50	40	JHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1	13425208	OJVTXHDWHDOSFP-ATVHPVEESA-N	455.923	3.635	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	19926279	BTKNVBDXGATDGT-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	19956966	SOBGJCTXTUEGLX-XIEYBQDHSA-N	451.548	3.815	50	40	JHGB	
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)c2)cc1	408681677	IDXPLXDJFDINGC-CPPNMTBBSA-N	469.335	3.757	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c(OC)c2)cc1	408762076	CLRABMCQYQNOJW-RIYZIHGNSA-N	492.269	3.728	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408841719	JZDXPZDSSWMTPD-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1	408910646	HHWZBSDZZCTPMD-JFLMPSFJSA-N	461.518	3.859	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	409009125	BOLADNDLSPLXKH-VULFUBBASA-N	451.454	3.624	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1OCc1ccccc1	409127148	QFZSPBOGXLXRDS-JVWAILMASA-N	499.564	3.720	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccccc1Cl	409261957	GGZMQHOCRJCDMB-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	4090286	KJUHOEBGLKGCLM-UVHMKAGCSA-N	492.488	3.863	50	40	JHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	8843005	YDDZIUYXJZEPLQ-AFUMVMLFSA-N	491.349	3.832	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	9075701	BUEPLBGROHDBIH-ZWWAOTTBSA-N	487.560	3.561	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1	9589405	VCBVUFVYJQWBPS-UHFFFAOYSA-N	470.624	3.741	50	40	JHGB	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	13145619	QLAMNWPAFRBOFW-HNNXBMFYSA-N	469.950	3.555	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	32114659	AOWRPDOBGMUYMU-ADUFUACUSA-N	469.321	3.862	50	40	JHGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	100959307	XWMVFTRZBFYBJF-MRUVXERFSA-N	496.972	3.698	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1c(F)cccc1Cl	408611983	SYOHXRHCTPMVAB-CCVNUDIWSA-N	469.900	3.833	50	40	JHGB	
COc1cc(Cl)c(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC	408981573	VUHGQGAPZPNGQE-JMJNUIHMSA-N	491.972	3.917	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cccc2C)c1	409161577	VXTVOKMPLYGYOD-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-n2ccnc2)cc1	9097123	AZCFMMWOUHMBNM-LFVJCYFKSA-N	465.560	3.889	50	40	JHGB	
COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	13856782	VZXCMAVXNYAMOB-QFBILLFUSA-N	478.328	3.903	50	40	JHGB	
O=C(CCn1cnc([N+](=O)[O-])c1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	24745595	HWMWEMVQBMLFAR-UHFFFAOYSA-N	459.915	3.588	50	40	JHGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1	40020187	UYXFSXQAZDVOFE-AWEZNQCLSA-N	466.519	3.887	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1	102647481	ZEKPDEJQUMXFFE-FVASPNIRSA-N	490.604	3.799	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(C)ccc2C)cc1	408778510	VRHYZIYTKCVWJK-MFKUBSTISA-N	451.548	3.663	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCC(=O)OCC	408814527	FXZSMBSKVZUZRO-BKUYFWCQSA-N	464.518	3.598	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)cc1	2218051	VCCGQFJXGMRRHV-XDOYNYLZSA-N	456.527	3.540	50	40	JHGB	aggregator
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	8426215	JAFJTLMZCVSLGT-XALSLBCYSA-N	467.079	3.988	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1	8753682	XZAAXEATNITAMV-UHFFFAOYSA-N	463.563	3.824	50	40	JHGB	
CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	16186969	CVWKLRONPLOLBG-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408727123	DLFXKIMHNJJRRM-FSJBWODESA-N	464.390	3.717	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccc(Cl)c1	408749640	RPRYYKNAFOUQPX-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)c1cccc(C(F)(F)F)c1	408963088	MKSHEYXKFWQZLM-IFRROFPPSA-N	479.152	3.688	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	409027063	VWZWGJSNPZDTKX-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029005	WUSDZWLSLMKSHX-MXJLDLDKSA-N	482.518	3.692	50	40	JHGB	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccn(-c2ncccc2C(F)(F)F)n1	1562493111	ZZKYXGGLZCPQKW-UHFFFAOYSA-N	456.384	3.611	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1	847144	QJDHQJHSGFADLB-XMMPIXPASA-N	475.501	3.536	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1	19950531	IUBPRTOGBSLCEH-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1	31892873	LBRHLIISWKNOBX-QFEZKATASA-N	473.514	3.845	50	40	JHGB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Br)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	104319066	VNDCSULMOTZMNT-XCXWGBRNSA-N	477.307	3.812	50	40	JHGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCOCC1	408544207	UBUKALNBOYWERU-MOSHPQCFSA-N	460.534	3.880	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1	408924648	NJJFVKHTNQLCID-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	408944954	WCQNMRAJZBOTPD-LPYMAVHISA-N	492.420	3.852	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1C	409060733	UOEVYULUUKISMI-ROTLSHHCSA-N	464.323	3.556	50	40	JHGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1-c1cccc(Cl)c1	6444313	BKVOGAKYDRQOBW-UHFFFAOYSA-N	480.775	3.545	50	40	JHGB	
COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12	9381893	IGNKRKSIJWDPLW-UHFFFAOYSA-N	460.581	3.545	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)S(C)(=O)=O)cc1	16268652	VMYBRPKUXRHMHL-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1	59416298	CJHRXZQUDADWEE-CVKSISIWSA-N	463.490	3.737	50	40	JHGB	
COc1c(Br)cc(Br)cc1C(=O)n1c(C)c(C(=O)NN)c2ccccc21	226367293	RYDMGWQQOFCYPP-UHFFFAOYSA-N	481.144	3.775	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408915261	YVTNGZZIVUZNHB-FBTHGLLTSA-N	450.451	3.662	50	40	JHGB	
CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1	12682132	UCBIHOHUEDUAQI-UHFFFAOYSA-N	489.598	3.865	50	40	JHGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)CN1C[C@@H](c2ccccc2)CC1=O	16575648	FTRNNRWMDXMWKK-AMAFCZHPSA-N	458.356	3.703	50	40	JHGB	
CN(c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1)S(=O)(=O)c1ccccc1	20232943	FRKUFUSZDACUTJ-OEAKJJBVSA-N	472.910	3.837	50	40	JHGB	
COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1	27563410	JLPFGLDAIJFOBY-XMHGGMMESA-N	452.507	3.900	50	40	JHGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1	408658245	IHZQKCVFIHNIPG-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408818649	YGGOACICLMRCBK-CXUHLZMHSA-N	492.313	3.930	50	40	JHGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1	409014619	NJBKEYBMLVTNSC-BULNNFJJSA-N	489.959	3.609	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2OC)cc1	409024819	HRVASUGNJVIRDC-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCC(=O)O	409064745	FBDMQBQPRPYVAU-XDHOZWIPSA-N	464.474	3.609	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	409168663	NYJFXFSCKPZXJD-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Br)c1	409331316	ALSLKCLMZYMWDS-AMAFCZHPSA-N	492.370	3.715	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1OC	409365669	VQIBUVQEWFXKTB-XKZIYDEJSA-N	466.319	3.954	50	40	JHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccccc3OC)c3ccccc32)o1	409394138	WFXYZWJWTDAXEY-ZMFRSBBQSA-N	461.474	3.607	50	40	JHGB	
C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	1099844	HWHLCOYTSLJLLG-HURAESQDSA-N	459.163	3.943	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1	1474400	NXCRKJBQQLYNCW-JFLMPSFJSA-N	488.573	3.897	50	40	JHGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(-c4ccccc4)cc3)nnn2-c2nonc2N)cc1	2265148	VFPADVWTHAOGEK-JFLMPSFJSA-N	464.489	3.639	50	40	JHGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1	12633416	VDFKDGUPKOYQDY-KAXQCBAPSA-N	484.622	3.517	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	32189115	GGDWLCAJCAPVDZ-NHDPSOOVSA-N	466.129	3.996	50	40	JHGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3cccc(C(F)(F)F)c3)c2c1	199413824	IERFGMWGPDXVRF-UHFFFAOYSA-N	460.456	3.912	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OC	408568664	VWWOYCBVWKCHGE-KEBDBYFISA-N	452.261	3.537	50	40	JHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)c2C)c1	408591474	UGGFUSOHMJRZCE-AFUMVMLFSA-N	464.478	3.952	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029157	YFHPIXLYHQENTR-MXJLDLDKSA-N	482.518	3.692	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2Cl)cc1	409065792	UEOIABYBOKISDY-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1C	409073882	UHGANXWRJUVTFH-ROTLSHHCSA-N	464.323	3.556	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1	409154639	PKJNGUPELQPDLM-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
N#C/C(C(=O)N1CCOCC1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1	2273032	XNJOOTSUTMAJAO-IRJMIRDBSA-N	453.951	3.625	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1	8398760	QAWIUJFNPDZBKY-AWEZNQCLSA-N	452.338	3.944	50	40	JHGB	
C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)CCc1c[nH]c2ccccc12	13134033	DYRLIEYEZBVGCN-GOSISDBHSA-N	455.514	3.946	50	40	JHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccc(F)cc1	20171803	PKDAWHOUIYQCOC-HTUBYUKXSA-N	457.509	3.886	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)C(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	102413831	GAQADEBEDCGXDI-WOJBJXKFSA-N	451.504	3.998	50	40	JHGB	
COc1ccc(Cl)cc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1	408636833	DBSKIPKASATHOI-UHFFFAOYSA-N	453.307	3.605	50	40	JHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I	408771125	FLQGUTFLQNWVEC-CYVLTUHYSA-N	497.336	3.559	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1OC	409020795	TYTSMBQVFQHPRU-JVWAILMASA-N	477.517	3.884	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1Br	2212316	KCGVPEZDFGSQIU-IBGZPJMESA-N	468.307	3.787	50	40	JHGB	
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1Cl	2407862	YSDORLJYHUJOFK-QIPRVMPFSA-N	464.909	3.651	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)OCCc1ccccc1	12137171	ZEKHHKAGFGAWHF-UHFFFAOYSA-N	467.349	3.866	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1O	16184069	NIELEWQPUXZUGZ-LFVJCYFKSA-N	457.939	3.781	50	40	JHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	16477622	XIQMSYCOGAHNGT-LGJNPRDNSA-N	473.312	3.843	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1	20214812	ACKYTUCCWXMZJM-KKMLCIJBSA-N	495.601	3.887	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	59427821	IPEQZHIKIPAUEH-BHGWPJFGSA-N	495.289	3.681	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	408783223	LGGKDTSHMDQYSA-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1C	408860392	ZYFXMVFKJNOZLR-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408862330	IRVMOTISZJMVDN-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
COc1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2I)cc1	408952798	MXXIFKLZECNJQC-XKZIYDEJSA-N	475.286	3.620	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)Cc2ccccc2)c(C)c1	409145311	NNWXVMMMPZGMES-JFLMPSFJSA-N	493.585	3.651	50	40	JHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1	409327897	XUBDPJADTGIDAR-OAHLLOKOSA-N	455.923	3.837	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	3146677	OUBSEGJVVNBNAZ-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccccc1OCC	4078198	JITGLFMBEDAXOO-QZTJIDSGSA-N	486.575	3.882	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1	8400289	BAHGJBCXYNXQKQ-RTWAWAEBSA-N	465.550	3.888	50	40	JHGB	
O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	12530458	SICKWVOBYPTJPC-UHFFFAOYSA-N	487.390	3.899	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	19949055	AXDDLFYRHKKECH-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(C)cc2)cc1	19956572	IEGCQGOVFFHJTF-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OC	408746262	DEZMYNBGWQGLRH-CIAFOILYSA-N	450.276	3.801	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc2c(c1)OCO2	408877876	XQLDZQDWNJDGKL-QPJQQBGISA-N	481.317	3.927	50	40	JHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3ccccc3c2)o1	409152008	JCAAAMXDWWUPHW-CCVNUDIWSA-N	486.484	3.962	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCC	409248569	LGVLFDATFZSAPN-UFFVCSGVSA-N	467.389	3.896	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=c3/c(=O)c4cccc5cccc3c54)cc2)cc1	6146227	ZQFPWXBPRSSGGC-AZPGRJICSA-N	499.548	3.674	50	40	JHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	9289421	VTDPIGUMDOFKNH-QGMBQPNBSA-N	457.078	3.518	50	40	JHGB	
COc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1S(=O)(=O)N1CCCC[C@H]1C	30551208	SWXRKEMQXLKTEL-OAHLLOKOSA-N	451.976	3.977	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC	33525744	IHDMRGWFGQXZKT-JBASAIQMSA-N	486.616	3.951	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1-c1cccc(Cl)c1	96935542	MDAMWXNLHFVEAC-LJZSXMKHSA-N	489.923	3.891	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cc(C)cc(C)c2)cc1	408779131	ACGBNTBORBXKTC-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408866744	IMWJHSLRILFHGY-YZSQISJMSA-N	469.538	3.960	50	40	JHGB	
C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	409131418	XXCZACXQSKAZAK-INIZCTEOSA-N	478.290	3.504	50	40	JHGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1	673234	HMKDKDAECKMLFJ-FSJBWODESA-N	457.943	3.645	50	40	JHGB	
Cn1ncc(Br)c1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1	673313	DVTPSGNXRGMOSZ-LSHDLFTRSA-N	461.703	3.819	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	20208895	YXSKNICQROGTBJ-YZSQISJMSA-N	465.575	3.744	50	40	JHGB	
C/C(NNC(=O)c1ccncc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288100	SVPJCVYSDAGXFE-HKWRFOASSA-N	454.515	3.651	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC	28218106	BQWAJVOMPZRCFX-YDZHTSKRSA-N	463.328	3.733	50	40	JHGB	
CN1/C(=C(\C#N)C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)Sc2ccccc21	103195770	GAKNWZDKGUCXBH-PLRJNAJWSA-N	479.602	3.799	50	40	JHGB	
O=C(N/N=C\C=C/c1ccccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1cccs1	108793691	KEXLMHGTQOUFML-YMVMRIGHSA-N	456.505	3.886	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br	408747394	NFUFOHMQPHUFDE-CHHVJCJISA-N	463.715	3.878	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)S(C)(=O)=O	408828012	KRIPZTBPBMZAFO-JFLMPSFJSA-N	496.633	3.944	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408924679	LGTFJVWYUMRKCU-WYMPLXKRSA-N	477.892	3.674	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OC(C)C	408970607	JDTAADRVQWBSAO-NQLRXCNRSA-N	469.582	3.851	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccccc2)cc1OC	409140417	FDBWGJMACVHDAI-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
O=C(CCCCC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1	2352830	NQBCWYKPRZAEKY-LQGKIZFRSA-N	488.136	3.558	50	40	JHGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6141598	WQLFBMXATDXIJJ-WSDLNYQXSA-N	451.476	3.914	50	40	JHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCC[C@H](C)C3)nc3c(C)cccn3c2=O)cc1	9344395	YIPPELVACFSUGT-SXZORUHJSA-N	462.575	3.886	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(OC)c1	10041581	HJMHCQNPSFQLRK-AZCDICLMSA-N	452.338	3.915	50	40	JHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	15635068	BIYUUEDWVTUJFS-DMDJSGQRSA-N	485.584	3.648	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	16310022	TUHANJJNFRWCEU-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	28213576	RMOGXPIDQCKCKL-LGJNPRDNSA-N	451.548	3.667	50	40	JHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1	96477598	FVNQOUAFTMZPIX-UNOMPAQXSA-N	454.438	3.735	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	102413838	GAQADEBEDCGXDI-PMACEKPBSA-N	451.504	3.998	50	40	JHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408996033	GPLCWKPJBUKKLN-WSDLNYQXSA-N	476.352	3.593	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(F)c1	409110678	FVWZMVIAIIXDMR-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1	409143180	NOKAEJUUNUSBCD-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	935332	RHBXVOBDDBAZEJ-IMGOXIFKSA-N	460.328	3.760	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1Br	1435371	IZHGMSOCJODJRN-LHXREVONSA-N	481.302	3.958	50	40	JHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(NC(=O)CC(C)C)cc1	8658213	VDFKHPGIQANYPJ-UHFFFAOYSA-N	457.328	3.828	50	40	JHGB	
C/C(=N\NC(=O)CCC(=O)O)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O	9438944	ZVZGSHSUYGOVDU-WYMPLXKRSA-N	456.296	3.663	50	40	JHGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	12250313	UIHZVHVMKQXOMK-FCHUYYIVSA-N	479.558	3.503	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC	58882631	VKUMVSMFOXXOGW-WGARJPEWSA-N	451.454	3.624	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC	58914870	GGUKYGBAIFGGIZ-JFLMPSFJSA-N	469.925	3.816	50	40	JHGB	
Cn1cccc1CC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br	71335828	JVDLLKOMBBGECO-WSVATBPTSA-N	493.981	3.711	50	40	JHGB	
CCCCOc1ccc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc1	408604601	VQYZKRJIUNNCJM-ROTLSHHCSA-N	489.370	3.879	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(OC)c2)cc1	408807372	CFCOORBVAIDSAX-SXGWCWSVSA-N	456.296	3.592	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	408864716	YNQHTFLQPGHRPM-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408890167	PABFPWCYRWCKDF-GHRIWEEISA-N	493.453	3.606	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409183981	HMFPPYDHCSYJSI-WGOQTCKBSA-N	469.538	3.959	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1OC	1857719	DLTQLSCAJISXFI-JVWAILMASA-N	491.569	3.927	50	40	JHGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2cccs2)cc1	12569774	HBKMBQATFFHYLH-WSDLNYQXSA-N	451.476	3.914	50	40	JHGB	
O=C(NNC(=O)c1cccnc1N1CCCC1)c1ccc(COc2ccc(Cl)cc2)cc1	13098597	BMIHYSJYAOFRIR-UHFFFAOYSA-N	450.926	3.989	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1OCC	20213630	NUDJRGZZTIHNHR-WPWMEQJKSA-N	496.589	3.615	50	40	JHGB	
CCOC(=O)/C(C#N)=C(O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(NC(C)=O)cc1	31772125	AXGLAAUTYJNZDN-NLQYBVAESA-N	453.882	3.968	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl	102066047	RXFAHDIVTYLKTD-NDBYEHHHSA-N	464.585	3.940	50	40	JHGB	
Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1	408637150	GBINMAIWTGTWAW-UHFFFAOYSA-N	467.334	3.817	50	40	JHGB	
C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1)c1ccccc1	408688318	VYOYBMIEPQMAQL-WNUGEORGSA-N	483.362	3.687	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	408906244	BEDMHNFKVPNWSM-FXZATJRASA-N	462.550	3.910	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cccc(Cl)c1Cl	408907150	LNCTXQSNTIILIC-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccccc1OCc1ccccc1)OCc1ccccc1	408991341	QFOUNNYXJANSPY-CCWCOGDNSA-N	497.555	3.977	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c1C#N	409006962	LSUOQELYLQTASW-OPEKNORGSA-N	483.322	3.960	50	40	JHGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1	6166234	MNEXANQHOZHRSZ-MUHUTPIKSA-N	489.395	3.762	50	40	JHGB	
O=C(N/N=C/c1cc(Br)cc(/C=N/NC(=O)c2ccccc2)c1O)c1ccccc1	8399414	BCKFZDDTWWBNEU-GUJRAXHGSA-N	465.307	3.683	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1	8691459	VCGAKNVBSYIHOV-LGMDPLHJSA-N	459.980	3.783	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(OC)c1	19948177	CJOYGLVYBSWNMS-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(I)c1O	23410984	HPFIDPMTSNYWQC-SSDVNMTOSA-N	482.318	3.832	50	40	JHGB	
CCc1ccc(-c2noc(CCC(=O)NNC(=O)Cc3nc(-c4ccccc4)cs3)n2)cc1	40040021	DXZQYRMSEPYTDJ-UHFFFAOYSA-N	461.547	3.745	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC	58914137	CJPHKVZXIZUMHW-MWLSYYOVSA-N	496.995	3.964	50	40	JHGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1c[nH]c2ccccc12)C(=O)N/N=C\c1c[nH]c2ccccc12	95605089	VOZVLRIHFOWAOG-KSFPGZNDSA-N	460.563	3.760	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1	408855277	BJYIDOSQSMEKLM-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c(OCC)c1	408911799	OKRFKHKELOIIFN-AUEUWSLNSA-N	455.555	3.928	50	40	JHGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1	409018753	ZACLRIJXNNMQNL-YSMPRRRNSA-N	479.558	3.964	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	409122175	YGANOFSFQXEGPT-NLRVBDNBSA-N	481.574	3.991	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)c1	409157309	IJHFRZJUMHOTNJ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1	712251	CBDATKILVFMVJZ-INIZCTEOSA-N	456.252	3.689	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1	1790845	YERYFJWUOUYCCD-HGBKYHTQSA-N	456.365	3.930	50	40	JHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12	9283781	UYAVQJJAJRGYIS-UHFFFAOYSA-N	484.622	3.535	50	40	JHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)c1C	9467091	NWEVHAHZJAOFFG-DEDYPNTBSA-N	497.621	3.785	50	40	JHGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	9737595	XQMLFRMJRDZAQS-BRJLIKDPSA-N	479.436	3.681	50	40	JHGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c1	9738981	SEZGPIJYAQRXOT-UHFFFAOYSA-N	488.363	3.633	50	40	JHGB	
O=C(N[C@H](C(=O)N/N=C/c1ccc2ccccc2c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	12375908	LYEOQLJNWYQGGL-BUSZIJHZSA-N	475.508	3.698	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C	33490702	XGZMHHSWDQIDGJ-QRVIBDJDSA-N	451.439	3.612	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1OC	408777573	CITWWMXDXMYVQA-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408786487	QZJJMPXJWPFSFJ-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)O	408791763	CBJKYNCLOGDCCY-NTUHNPAUSA-N	461.268	3.562	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1	408925913	RWFSGVWEWJUBRL-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409187641	AHDPYCJAVXBHNA-GDNBJRDFSA-N	464.303	3.668	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=c3/c(=O)c4cccc5cccc3c54)c2)c(C)c1	6144508	XPWCPJZXAZSBCZ-AZPGRJICSA-N	483.549	3.892	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1	8603474	CKVOHAKJWRVKFB-VCHYOVAHSA-N	487.541	3.901	50	40	JHGB	
COc1ccc(/C=N/NC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC	8683426	DWBNMUXKKSNVTN-LQKURTRISA-N	488.544	3.812	50	40	JHGB	
C[C@@H]1CCCC[C@H]1n1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccnc1	9128470	HCVNJUWLPJSHBX-VQIMIIECSA-N	450.568	3.645	50	40	JHGB	
Cc1sc2nc(CS[C@H](C)C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c(=O)c2c1C	14239805	QRTQFDXXMKCIPC-TWLOVUBOSA-N	474.652	3.587	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1)S(=O)(=O)c1ccccc1	19937048	XYXHLZIERQBYEA-NLRVBDNBSA-N	477.542	3.618	50	40	JHGB	
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3cccnc3)C(C#N)=C(N)O2)S1(=O)=O	20558695	SDMHQQJYKAZHFH-JOCHJYFZSA-N	456.527	3.917	50	40	JHGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1C	27019894	GQSIWMVONIRHAW-CLCOLTQESA-N	499.615	3.992	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc(OC)c1OC	408603386	GHLVHQRMBWEXJD-HXUWFJFHSA-N	462.531	3.789	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1	408769372	SFHQVZKFOXTZOH-WPWMEQJKSA-N	493.585	3.690	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1I	409220903	HNHIQYCYIQLBCB-XGHPXPSOSA-N	490.297	3.627	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c1C#N	650260	XPUQJOABZYGLNN-LUOAPIJWSA-N	496.907	3.637	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OCC	20214977	RWTYUDAPPOJKQM-YZSQISJMSA-N	481.574	3.720	50	40	JHGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(N2CCCC2)o1	59679125	CMMWAVFMCFFTAT-VXLYETTFSA-N	453.318	3.793	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)c1	408830613	NWSORGQSTPUNSS-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	408874465	CCFUQOKZHTZXHE-JHXRPTDYSA-N	463.987	3.678	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1	409153604	DMXXGOQJCSMLMB-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC(N)=O	409227945	XWPYQFJJDGBTQD-LFYBBSHMSA-N	464.703	3.521	50	40	JHGB	
CCOc1c(I)cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1OC	409359500	JUECJKUDNPGHHA-MTJSOVHGSA-N	452.292	3.700	50	40	JHGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1cccnc1	1478222	MAPLOFMZKNORSE-VULFUBBASA-N	475.599	3.963	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	3100713	WUSYVNVFYYBGIW-FUEWNREZSA-N	482.290	3.692	50	40	JHGB	
CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC(F)F)cc1	9438483	WGTWRDQNISDFJX-LYBHJNIJSA-N	451.495	3.617	50	40	JHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)CCC(=O)Nc1ccccc1Cl	12039984	SZCYPRQPUDOLKO-UHFFFAOYSA-N	463.719	3.602	50	40	JHGB	
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2nccnc12	16033468	BPVRKVIAPJQCAW-CLQLBINOSA-N	458.522	3.697	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21	101066923	AVZPCFIGNUGHRM-FVASPNIRSA-N	490.604	3.799	50	40	JHGB	
CN(C(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1)C1CCCCC1	408680754	GJIZCRSTVAIDGH-CPPNMTBBSA-N	475.383	3.601	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)c2C)cc1	408872930	LLRFQUAZCXYZQX-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408969910	WTULMVPOBKWVFR-KZJCWCHPSA-N	499.995	3.729	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)cc1Cl	409185828	QWYPBIPMQZZZDI-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C\c2c[nH]c3ccccc23)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	12859486	DWIBABBXSRBGGR-SGNDPKJVSA-N	486.450	3.701	50	40	JHGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3c(C)cc(C)cc3C)nnn2-c2nonc2N)cc1	13803683	XGIQBJISYXOANM-OPEKNORGSA-N	476.566	3.522	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	58925168	NAUQTZCLMAYBDG-OVVQPSECSA-N	497.548	3.641	50	40	JHGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1Br	408734559	HZPDIRHDUOJMEV-GUNGLEHYSA-N	470.161	3.979	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	408789520	JVEWKCYDUIYHKA-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC(=O)OC	408850686	QVJXYBHFTKRXLG-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408877265	UASZAOBKURJTRR-KBKYJPHKSA-N	477.279	3.744	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408890134	OKFCPVAFEVOOIK-RGVLZGJSSA-N	481.246	3.537	50	40	JHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	408996402	ICVRXFFJNJVCHM-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc(Br)c(O)c(Br)c1	409099808	LTIUESXJZYZYFZ-SRZZPIQSSA-N	483.160	3.518	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409161467	XQHOYGYQWUPXOV-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nc(-c2ccc(F)cc2)cs1	3444468	KEGYXLLUEHSGIE-UHFFFAOYSA-N	451.932	3.921	50	40	JHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	8686425	DENLZIAJQZBMBG-WGFYCLKKSA-N	451.548	3.747	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1	9233113	KUQTWVJFOCKWQU-MEAKTTDOSA-N	472.545	3.648	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1O	20060206	UKUBBXOBDAOXNE-AFUMVMLFSA-N	487.965	3.784	50	40	JHGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	20573170	LOABJOHZCNHVQJ-JPYJTQIMSA-N	472.545	3.545	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	59334328	LNEATGIYKPDIIR-NVNXTCNLSA-N	460.284	3.940	50	40	JHGB	
CN1CCN(c2nc3ccccc3cc2/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)CC1	108223340	NKMMLKANEIQRIZ-LTGZKZEYSA-N	460.545	3.690	50	40	JHGB	
COCCOCOC(C)(C)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195481617	IABCDGQGRMGLKB-DEOSSOPVSA-N	460.687	3.730	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl	409028027	ZPKDVPUGGPSOHR-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1O	409116162	LWYMWAIVEJGCAQ-PCLIKHOPSA-N	467.547	3.688	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(C)cc1	409242192	VGEIJUIFGARBIE-PXNMLYILSA-N	458.312	3.837	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1	1087017	CQYQLQUQIILSTN-XKZIYDEJSA-N	472.299	3.765	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2621429	QHVBSLZROWNZRR-UHFFFAOYSA-N	492.492	3.535	50	40	JHGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)cc1	3423381	ISZAESFDXBTYES-BWAHOGKJSA-N	496.567	3.687	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C/c2ccccc2)c1	9636223	SVHRSAGJAGNRLP-CAPFRKAQSA-N	452.580	3.863	50	40	JHGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1	11995048	WZKPEQIXLIHYFC-XDJHFCHBSA-N	453.589	3.692	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	19640355	WUKVKVATWZPZND-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	20060079	CDMQRUJHKISBMH-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc2ccccc12	34719845	PCQSLTWSAWUNCS-CVKSISIWSA-N	496.361	3.604	50	40	JHGB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2cc(Br)ccc21	59087240	HSVLVYZMKQCPAM-VGVSSDJJSA-N	469.383	3.990	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br	408761220	DAOVCUIYCMPXQW-QNDYCBLQSA-N	496.427	3.609	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	408766645	DQMJFFSIPWIKQL-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)cc1	409166782	FRDPEWOLGHZLJE-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1	1474121	WZIPRMPYYUPOQG-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
C/C(=N/NC(=O)C[n+]1ccccc1)[C@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C	5824146	QPEQWEAYMQPTFG-ZOFQJYITSA-O	480.677	3.952	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	9071049	GXKPABQGNQGGHK-UHFFFAOYSA-N	480.377	3.590	50	40	JHGB	
O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NNC(=O)c1ccccc1	9583416	OWCJDKVRXSCYJQ-UHFFFAOYSA-N	455.609	3.989	50	40	JHGB	
N#Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1	12464102	YMRRPVPOPNJBQV-UHFFFAOYSA-N	483.528	3.569	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC	33160887	MJTKHWOIJWXCQI-MXAYSNPKSA-N	468.307	3.547	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	58913356	MFMCABSISBVZNX-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	58918271	QUBKYZFFORBRFV-HZHRSRAPSA-N	484.559	3.662	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1Br)c1ccccc1	408978258	HKQWDRZUPGKGRT-WQGFDPGOSA-N	478.343	3.794	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2)cc1	409152235	IPJNEDKOVRJSIE-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c(Br)c1	1021470	NNGXPYGCXZKQIW-IFRROFPPSA-N	472.133	3.769	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3F)nc12	3644271	LJIAGJBEMVGFMA-NBVRZTHBSA-N	464.497	3.773	50	40	JHGB	
O=C(COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)Nc1ccc(Br)cc1	9540291	RQUIJTYNHNMETD-BRJLIKDPSA-N	496.317	3.959	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(-c2ccccc2)cc1	12362422	HEVNDTFAZBLIQI-JVWAILMASA-N	464.489	3.721	50	40	JHGB	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	17521224	JRZOSFQPTHMPEU-UHFFFAOYSA-N	499.592	3.758	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	23410660	WQBQYLWDTKJJIB-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1Cl	138934126	HFQWMYDJUGXFGY-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408718614	JIQAGXCKOGJJJP-OYKKKHCWSA-N	478.417	3.885	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408786322	PLEYBXZJPCUNPK-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1OCC#N	408814767	HPMNJCDIMDAYTK-SQEMJAKJSA-N	461.522	3.514	50	40	JHGB	
COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc([N+](=O)[O-])cc1	409084258	AUUZTMBLAWSCJE-QRVIBDJDSA-N	450.407	3.855	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1	409159517	QTKDXEVKGNZMTJ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3CC)cc2)cc1	409170912	XZXBNQWRPREMDJ-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)oc12	409200112	GZUPKKJYCPNVBG-DHRITJCHSA-N	475.461	3.916	50	40	JHGB	
C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1	2236253	UUOIKDIGKPZKIH-KJXVGZKYSA-N	465.469	3.897	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2OCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1	9019617	OFGVNNMRAIRIDQ-WGARJPEWSA-N	495.605	3.968	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2ccccc21	9461520	NOVVKTIZDJMDRD-FAJYDZGRSA-N	462.513	3.994	50	40	JHGB	
COc1ccc(NC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)cc1OC	15934313	WAHRXJHRNQYLBW-UHFFFAOYSA-N	474.311	3.851	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1O	19949576	GHAKRILXZNQNLL-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1	20059080	FGQOUAJWFCGTRD-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	20232430	ZPTPZHNNFYTJDJ-NLRVBDNBSA-N	463.559	3.982	50	40	JHGB	
COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1	27497227	SGCAQBNTBIXTAB-UHFFFAOYSA-N	465.491	3.770	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(C)c2)Cc2ccccc2)cc1C	34837588	AWPRIZUZVAGSIB-QQXSKIMKSA-N	465.575	3.653	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408767581	MUYLMKFCKHZPNF-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408796696	YWGCCRDPTXCLSI-XNTDXEJSSA-N	459.296	3.945	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408810341	KIBALPSIYAWWGN-QPEQYQDCSA-N	463.259	3.694	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(Cl)cc2)cc1	408908742	YKOJOCFJBVGTLS-PCLIKHOPSA-N	487.965	3.790	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1O	409026311	LPUIWWFUOBCLEO-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1	409152688	JSPBHEQFQMZITF-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1	409268594	WHXUVFAWZRGKNJ-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cc2ccccc2o1	941175	IUGZPILEZCGFOM-UHFFFAOYSA-N	468.101	3.798	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nc3ccccc3c2=O)cc1	1278906	AHVRUEVMBNOZRL-VULFUBBASA-N	472.526	3.635	50	40	JHGB	
Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1	1296463	MYWQRCZMTDRMDM-ZMOGYAJESA-N	496.390	3.729	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1	2870095	LRVZCCXYKCXXIP-WPWMEQJKSA-N	489.553	3.900	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)[C@H](C(=O)OC)C(=O)N2)cc1	9123261	CIRWYFGRXWSLRQ-SFTDATJTSA-N	499.976	3.848	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccccc3C(F)(F)F)CC2)cc1	12760870	KWLGKHVWXXIQDE-UHFFFAOYSA-N	471.501	3.648	50	40	JHGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	12848053	HAQYDXCPYLHCPM-UHFFFAOYSA-N	496.408	3.903	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3Cl)[C@H]2C1	16682920	RHAWBNRCFTZNAN-FPOVZHCZSA-N	487.951	3.716	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O	20212430	KKNHWJPAUZTRLV-FSJBWODESA-N	490.925	3.733	50	40	JHGB	
CN(C(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1)C1CCCCC1	408682514	JKCAWMNWWDYXFJ-PJBUMPDVSA-N	475.383	3.601	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408765218	XIZJTMRERWAONW-CPNJWEJPSA-N	493.497	3.594	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I	408806891	BNHIMSXXRDWENB-YBEGLDIGSA-N	462.287	3.922	50	40	JHGB	
COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc(OC)c1OC	409042078	BHHULKZVQPRXLQ-BUHFOSPRSA-N	490.512	3.714	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409123575	CXIHDFSFDQAISF-MOPGFXCFSA-N	473.913	3.589	50	40	JHGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1	409157127	UHSPJWNDENZRHF-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1	948239	SDNFTJFWVKYQHG-UHFFFAOYSA-N	470.323	3.791	50	40	JHGB	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)sc2n1	1383860	MRQUXWPPXIRUFZ-UHFFFAOYSA-N	460.968	3.981	50	40	JHGB	
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NNC(=O)c1ccc(Br)cc1	2651454	VUCKFPSWSYIGGN-UHFFFAOYSA-N	498.362	3.843	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1Cl	9884914	GXUUJDUGMLTEAO-RPPGKUMJSA-N	481.892	3.859	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC	12752955	PAMREKWCSZTGQO-UHFFFAOYSA-N	450.491	3.513	50	40	JHGB	
O=C(NNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccc(COc2ccc(Cl)cc2)cc1	12914226	KDXRKIFGLAELAK-UHFFFAOYSA-N	492.963	3.627	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195170	XDFSLGVASASEOT-WYMPLXKRSA-N	477.355	3.709	50	40	JHGB	
COC(=O)[C@]12C(=O)[C@H]3[C@@H]4[C@H]([C@@H]5[C@@H]1[C@@H]1CC[C@H](Br)[C@@H]1[C@@H]35)[C@@H]2[C@H]1[C@@H](Br)CC[C@H]41	104287271	BOWBYLVCHPOQNM-VOMXCOLUSA-N	484.228	3.676	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)C(C)C)cc1	408755920	SJONFJYLBWZQIU-FXZATJRASA-N	493.585	3.667	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCC(=O)O	408815141	IMNCCJJCUFUAIP-PXNMLYILSA-N	489.322	3.543	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC#N	409002072	LXYPXRNPGMFYPM-UUXIJQDSSA-N	456.502	3.609	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1	409164933	PWYYBGVXROKDGN-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1occc1C(=O)NNC(=O)c1cccc(COc2ccc(I)cc2)c1	2755302	MIWROAVZMDLPLC-UHFFFAOYSA-N	476.270	3.846	50	40	JHGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	59960054	VYYQFBZTCQFICZ-JVWAILMASA-N	464.566	3.727	50	40	JHGB	
CC1(C)[C@]2(C(=O)N3CCOCC3)CC[C@]1(C(Br)Br)[C@H]2Br	100015354	MGCRERZVHHMPKR-OWYVNGRQSA-N	474.031	3.531	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408771393	GJHLFTHXKUVXFR-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408781380	CCAHTWBXWUEFGV-JJIBRWJFSA-N	461.584	3.746	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408784427	BVFODLZCXFBMQP-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2)cc1C	409018788	ZFFQFAVPQQJVJN-NTFVMDSBSA-N	474.561	3.916	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1	409254375	YZXDXHCBDGEUKK-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
COc1ccc(F)c([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	1259798	RQMIJFNCXIQFAM-ISKFKSNPSA-N	483.503	3.896	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)NNC(=S)Nc3ccccc3)nc3ccccc3c2=O)cc1	8691768	NDBRSHDUCUKQBY-UHFFFAOYSA-N	475.599	3.804	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N32)cc1	12275922	IKHRDDTTZIHHPP-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1OCc1ccccc1	20208638	NKURYUCLLWRDOG-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
CCOc1cc(Br)c([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	23380910	PRUCRYGXNPMBHY-LAUBAEHRSA-N	482.382	3.602	50	40	JHGB	
CCOc1cc(Br)c([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	23380912	PRUCRYGXNPMBHY-UWJYYQICSA-N	482.382	3.602	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NCc1ccccc1	28215545	QSBVEAHLLWMUIH-VULFUBBASA-N	466.881	3.707	50	40	JHGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Br	59475342	LHFLUVHYJQBBQX-ZVBGSRNCSA-N	471.149	3.791	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408659994	KMQLJKHOXPSJMB-RDGPPVDQSA-N	489.355	3.905	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)ccc1OCc1ccc([N+](=O)[O-])cc1	409090256	LSHOMJSFEZOLFT-ZMOGYAJESA-N	480.433	3.950	50	40	JHGB	
COc1ccc(OC)c([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	660084	DVWYJSIXLWHGSU-ZCYQVOJMSA-N	495.539	3.766	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccn3)n2-c2ccc(OC)cc2)cc1	1251909	ODYZZGXVAOTQOG-CVKSISIWSA-N	474.546	3.589	50	40	JHGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Br)c2ccccc21	2248520	VEFMHSRWFUHWFX-NKFKGCMQSA-N	450.720	3.758	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1	8875120	GCODOVYMFWOZQN-LQKURTRISA-N	454.486	3.781	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)c1O[C@H](C)C(=O)O	9324039	XPFPOXWIDFQCTR-QQUGTJAQSA-N	491.294	3.828	50	40	JHGB	
O=C(CCc1nc(-c2cccs2)no1)NNC(=O)COc1ccc(OCc2ccccc2)cc1	12885604	PHDBLKHWLUEJMO-UHFFFAOYSA-N	478.530	3.536	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	20212616	UOYUKCLMIRQJJA-OEAKJJBVSA-N	451.976	3.744	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	20214518	DZOHSJRQCLLQNQ-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)c2C)n1	24677043	RVQKQWAVGDJUKX-UHFFFAOYSA-N	478.553	3.767	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408613352	ZGGHYKCZHOBYBZ-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cc(Cl)ccc1OC	408638877	UMNGAGLJHNVPQQ-UHFFFAOYSA-N	480.377	3.834	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)OC	408849900	ALEHYLGAIKLPLG-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OC	408897821	ZRTORTOZGICYLV-RIYZIHGNSA-N	492.269	3.942	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O	409183628	CQMKLCYUOLTVIA-JFLMPSFJSA-N	496.633	3.944	50	40	JHGB	
C[C@H](OCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2060999692	ICVDIYVIBQTCKT-ZDUSSCGKSA-N	492.400	3.516	50	40	JHGB	
COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(O)ccc2Cl)c1	2104469	ZVIXQRVUODKNCI-PNSDLSCPSA-N	479.920	3.984	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCC(=O)O	9204743	VGVZBKRIYLWHQG-LSHDLFTRSA-N	469.719	3.657	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)c1O	12467221	BLMKZMFJCWSVEJ-FSJBWODESA-N	459.959	3.965	50	40	JHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	13062875	NDPAPEYVBFYRFX-HDICACEKSA-N	488.544	3.854	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1	20240420	DPAPCMOXFLBMGP-VUTHCHCSSA-N	472.589	3.786	50	40	JHGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1	20331917	QYISEFMGAAEMMI-LFIBNONCSA-N	475.505	3.977	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1	211031158	NZNJKMSOYDXXFC-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)c1	408657786	HPMRZLKCJFUVLU-YRPNKDGESA-N	489.355	3.905	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(Br)cc1	408772369	OQAUGTMQBQSSCW-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(C)c(C)c2)cc1	408773618	RYBQIYIRBMQTRR-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Br	408869695	RDIQXJABDWRXIN-LICLKQGHSA-N	455.308	3.702	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409123578	CXIHDFSFDQAISF-RTBURBONSA-N	473.913	3.589	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1	409156724	LUZJWJDGJDIBPQ-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccccc2)cc1	409219780	QGWMIMOKQZVRTR-BFRREZCOSA-N	472.457	3.936	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1	409259676	CJFYKOYHHWESKO-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCCCN1C(=O)[C@@]2(C=C3c4cc(OC)c(OC)cc4CCN3C(N)=C2C#N)c2ccccc21	8995410	HTGFCVJJGSKILI-MHZLTWQESA-N	456.546	3.695	50	40	JHGB	
CN1/C(=C(/C#N)C(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21	102954413	XYPBJDFMWGALMK-WASCAKKMSA-N	470.938	3.529	50	40	JHGB	
O=C(c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)N1CCCCC1	408672951	PPBYUZLCCHOAKH-NCOADZHNSA-N	498.215	3.739	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408753195	FCORSZMGXCUUAJ-VAHWYXDJSA-N	458.628	3.685	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	408776948	SZBHJEWSNNBMFE-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)c(C)c1	409116694	OMCGVEWMBJBNER-MFKUBSTISA-N	452.580	3.871	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1	409167945	KCEMPIUMQVFDPE-KVSWJAHQSA-N	498.889	3.743	50	40	JHGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O	409226583	UVFXJYJPQJLGSM-GMJUKHFMSA-N	476.401	3.591	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OCC)c3)[C@H]2C1	1240833	ZUXPMPJPHIJOFZ-REWPJTCUSA-N	475.549	3.754	50	40	JHGB	
O=C(O)c1ccccc1-c1ccccc1C(=O)NNC(=O)C1(O)c2ccccc2-c2ccccc21	2295043	DCRKJYQMPTTZJV-UHFFFAOYSA-N	464.477	3.729	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC	3144232	VRIRSXSIDHYSSJ-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12	33957430	GPGJEJUNCOOXHD-RWXLOJONSA-N	474.529	3.521	50	40	JHGB	
NNC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(I)c1	226334680	KTPKXHINTKZARW-FNORWQNLSA-N	473.108	3.636	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC	408897825	UGDBFQFBMNPELF-RIYZIHGNSA-N	492.269	3.942	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)O	408951138	LQUVHJNAPFSAHI-PXNMLYILSA-N	498.333	3.668	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(I)c1O	408973515	SXNBJCFIWGULGX-UFFVCSGVSA-N	480.258	3.914	50	40	JHGB	
CC(C)N1C(=O)/C(=N\NC(=O)COc2ccccc2Br)c2cc(Cl)ccc21	2675323	LDZAQVYBJBJPBQ-NKFKGCMQSA-N	450.720	3.757	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8779777	OZJYBWSKNREKCJ-OAQYLSRUSA-N	492.448	3.730	50	40	JHGB	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	9441720	HBIMSDKIQISEHR-UHFFFAOYSA-N	472.526	3.621	50	40	JHGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	11995049	JYEPPAIYFPFJTM-XMHGGMMESA-N	498.586	3.600	50	40	JHGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(Cl)cc(Cl)c3)C3=C2C(=O)OC3)c2ccccc21	12412006	FRSNZFNKYXUUCK-HSZRJFAPSA-N	467.312	3.623	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	13940992	AOWRPDOBGMUYMU-DKZNWEEVSA-N	469.321	3.862	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccnc3)n2-c2ccccc2)cc1OC	31870532	VGAXRYBAYULBBJ-YSMPRRRNSA-N	474.546	3.589	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	59959996	DOHNKSSOHLMPOY-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100769703	ZSOFWGIDBCDDFY-AAFXRZCKSA-N	491.556	3.973	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(=O)(=O)c1ccccc1	408783933	QTVLDFVXQZERDQ-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc(OC)c1OC	408837238	ASTNUCGIIVUFMF-VUTHCHCSSA-N	488.588	3.799	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1	408921070	CKXYOHWCAJDHGJ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccccc3C)o2)c(Br)c1	409164853	ORKOTKUXYRWSSL-RPPGKUMJSA-N	484.350	3.971	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)cc1	2709992	PYRWPVJELABVDE-XMMPIXPASA-N	473.529	3.643	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O	9323661	PWLVJGFNLLVSMU-QPSGOUHRSA-N	476.110	3.992	50	40	JHGB	
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1	12784911	GRHFUQWACNKSQO-UHFFFAOYSA-N	471.872	3.580	50	40	JHGB	
Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)NNc3nc(C)cc(C)n3)c2)c1	14513648	KYVULKYCDPSSFU-UHFFFAOYSA-N	490.383	3.722	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16248743	VEAUGQOSIPULKL-LFVJCYFKSA-N	453.589	3.750	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(=O)n2nc(C)sc2n1	20331956	PJAFYPSIDUNHLA-CXUHLZMHSA-N	470.514	3.988	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	22002715	QJMWXKKGPIJIMT-LGUFXXKBSA-N	481.574	3.830	50	40	JHGB	
O=P(O)(O)c1ccccc1NCCNc1ccccc1P(=O)(c1ccccc1)c1ccccc1	44459947	XGAVDFACRJBYCJ-UHFFFAOYSA-N	492.452	3.653	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(C)cc2)cc1OC	58919027	IPHOPHXVHIBITM-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
O=C1C(NNC(=O)c2ccc(Cl)cc2)=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2	101181439	LZKLWPBOIJENNK-OOAXWGSJSA-N	467.934	3.518	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1OCC(=O)O	408676565	KKFDUNGGNABYEO-ZMOGYAJESA-N	490.354	3.675	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408769464	VNWPEHUTQIJOFF-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1	408785087	XYDYUBWZRZBOLQ-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408855797	DWZYNQKIRNCTFR-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC(=O)O	409069213	WRVBYMJHVVDSPT-LICLKQGHSA-N	451.435	3.731	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)cc1	409168141	KQBWBVSJBPPHBL-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccccc1Cl	409260639	TVIVLLLTFMEHCH-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	8384147	QBRBHNIOWGJVFR-FOKLQQMPSA-N	492.863	3.573	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(OC)c1	10041583	HJMHCQNPSFQLRK-CCYMUMOUSA-N	452.338	3.915	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1	13551592	VYRPCVKINLJFMR-LPYMAVHISA-N	474.384	3.886	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19951927	PLFHUDNXTQZIQD-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	20060184	HAOWOJZRRZNCLS-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	59246946	WLWAVPPBZHWRNL-CVKSISIWSA-N	482.378	3.964	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1O	59447291	QEUDLPZUFSHLCW-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
CC[Si](CC)(CC)O[C@@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	253488610	BFEHWXCZKFZQCB-MXEMCNAFSA-N	469.563	3.584	50	40	JHGB	in-vitro
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1)c1ccccc1	408999915	UEDPTDKTTSCSJC-WQGFDPGOSA-N	478.343	3.881	50	40	JHGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c1C#N	409004607	ARUINVKGUJPOQW-RPPGKUMJSA-N	478.530	3.697	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1	409170057	SEEFUDMIPMSUSW-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1	409262837	KDAFNIIIUDTIHZ-SSQQOGHWSA-N	461.493	3.917	50	40	JHGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc1	409268957	BXDZSPFXPLDAOZ-YDZHTSKRSA-N	478.343	3.821	50	40	JHGB	
C#CCOc1c(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)cc1OC	2175989	STAGBRIZXXVHSV-SRZZPIQSSA-N	466.129	3.996	50	40	JHGB	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1	2694782	UEHIOOSKALOWAE-OAQYLSRUSA-N	463.515	3.867	50	40	JHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc1Br	9323501	HXJPXOIYMPNAQG-BRJLIKDPSA-N	480.278	3.967	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	20059177	LTFCUDKJEIZAFE-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)ccc1OCc1ccccc1	20211816	XYHRCPJONXAQDA-JVWAILMASA-N	499.564	3.720	50	40	JHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)c2C)c1	408591227	SDWMLXRTPSXHAZ-ZMOGYAJESA-N	450.451	3.561	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)c1	408743435	AFFHJWATVHMEJN-ZSOIEALJSA-N	492.269	3.699	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OC	408888263	YEEIPZZHFRADQF-NTUHNPAUSA-N	478.242	3.552	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	408939225	NDQPGCQXSZFQOM-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
C#CCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21	2324853	HIPAMFBZWYOUFE-ROMGYVFFSA-N	468.351	3.760	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC)cc2)cc1	6146236	HUSSZVSZTUPJCZ-LFVJCYFKSA-N	453.520	3.659	50	40	JHGB	
CCCN1C(=O)/C(=N/NC(=O)COc2cccc(Cl)c2)c2cc(Br)ccc21	9019034	LDMMBVDITNFMTR-PTGBLXJZSA-N	450.720	3.758	50	40	JHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)[C@H](C(=O)OC)CC3)cc1OC	13552436	NPACDYJVJINSSN-BAAYTWLHSA-N	484.530	3.690	50	40	JHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	28214235	ORBGHKZJEVBJCJ-DIVMZCMLSA-N	475.998	3.645	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1	408606017	KYPNROYNMBWONW-IBGZPJMESA-N	461.518	3.779	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1	408767792	OIXPYFXAQIJOKR-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1	408897751	SXLRJBVJLXVTMN-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCC(=O)OC	408904724	NPYIDSHHFWJATD-JJFYIABZSA-N	464.316	3.864	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1O	408974150	VWFHATFLBXOOTI-FXXTWSIJSA-N	475.570	3.981	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409003588	SZLNURNCNXKNEX-AMAFCZHPSA-N	476.917	3.808	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026297	LHERJQCXGPQDOD-SCELWYEFSA-N	481.530	3.512	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1Cl	409152287	AQUIRESGQKRCSQ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1	409159927	BVIZPTGPBBJLFO-CVKSISIWSA-N	465.575	3.619	50	40	JHGB	
N#C/C(=C\c1cc(Br)c(OCC(N)=O)c(Br)c1)C(=O)Nc1ccc(F)cc1	409222629	CRRYGYLGPIGDNJ-VZUCSPMQSA-N	497.118	3.760	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)c2)cc1	409248445	GPHLZIKKJMNNIM-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC	1777546	VWAAHKQYCWAQHV-NTEUORMPSA-N	457.533	3.653	50	40	JHGB	
CCOC(=O)c1ccc(OP(=O)(c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)cc1	2216215	QDYDRSUZHOHOJG-UHFFFAOYSA-N	456.347	3.988	50	40	JHGB	
COCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2	2794265	WLMPKUNBXQEIFS-FUHWJXTLSA-N	498.575	3.812	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccc(Br)cc1	8398680	BXODRGHHVMAPBA-ZVHZXABRSA-N	460.372	3.973	50	40	JHGB	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	9373443	WPSBNCUEQNBCGC-LFIBNONCSA-N	467.503	3.506	50	40	JHGB	
CC[C@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1	9452857	NBFWNNNXXLXAQN-SCQWWOTGSA-N	454.527	3.677	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC	10476037	ZALWKLKAUYXBFX-BUVRLJJBSA-N	459.340	3.951	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(=O)OC)cc4)CC(=O)N32)cc1	12275251	RTNZBEYJDUTBKU-NTKDMRAZSA-N	450.516	3.515	50	40	JHGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1	102392666	OZVYNLFFJJMGHF-XKZIYDEJSA-N	470.504	3.962	50	40	JHGB	
O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640709	BPCWKWJPGMNCEB-ZNSHCXBVSA-N	498.986	3.560	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	408784182	UDWCIKZZRFEGBC-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC	408971246	HTNCZPCECIJNBA-BOOTZKDASA-N	469.582	3.852	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Cl)C2=O)cc1	1214510	GAJTYIRDUZCDDU-SFQUDFHCSA-N	459.980	3.701	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OCC	1783705	JLKVZCATEAWWRZ-WEPAEKJRSA-N	468.579	3.846	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)c(OC)c1	9693231	JABKGVZNSDIORC-INIZCTEOSA-N	453.520	3.637	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(O)cc3)nc3ccccc3c2=O)cc1	16136972	IADOYWHPIMXGMQ-JVWAILMASA-N	474.542	3.732	50	40	JHGB	
Cc1c(C(=O)NNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)oc2ccccc12	17448940	VKQVBFDPKHLVLM-UHFFFAOYSA-N	464.528	3.702	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cc(C)cc(C)c2)cc1OC	19956351	IGGKLUFLPKNBDN-JFLMPSFJSA-N	499.564	3.805	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	20060559	VPILAVZBBAGQRJ-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	31857547	BPIXBFINZJMHSJ-YMOZLIFUSA-N	456.502	3.792	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	59435848	BIZXWZLHHRXCBM-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408877923	YEIFTQNAAKMJNF-MKMNVTDBSA-N	493.257	3.569	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)c1	409167540	JAJAOMDNPQAGML-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)CC2=O)cc1	409263952	IUNONRXGYUVOHY-VIHPRKMESA-N	491.519	3.925	50	40	JHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1	2135142	CZRGZGCXGOCNNK-UHFFFAOYSA-N	457.324	3.824	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2)cc1	2635763	HUVCTXVZQGOUGD-UHFFFAOYSA-N	477.542	3.637	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8779776	OZJYBWSKNREKCJ-NRFANRHFSA-N	492.448	3.730	50	40	JHGB	
COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1OC	9122092	YTKBKBSIYDHXIC-DICXZTSXSA-N	488.569	3.954	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(O)c(Br)cc1Br	20100839	LJIRHMSSVHNTKM-AWQFTUOYSA-N	472.133	3.845	50	40	JHGB	
Cc1nnc(N2C(=O)c3ccc(C(=O)O[C@@H](CCCl)C(=O)c4ccc(F)cc4)cc3C2=O)s1	139043242	HZPIRKUHRKSRJG-KRWDZBQOSA-N	487.896	3.823	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	408782706	IVCMYETZCLZQAU-NLRVBDNBSA-N	469.538	3.960	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408783204	MCOQHHIESJQLLO-UHFFFAOYSA-N	459.568	3.644	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2ccccc2c1	408994942	IFVNTAMVASLZDZ-DICXZTSXSA-N	467.953	3.863	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1	409027176	BKDIANICGUHEMU-TURZUDJPSA-N	492.601	3.808	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409165367	XFXBEBFFURKDHJ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Br)cc2)c1	409227911	XGDUKSRQNIPOSW-UHFFFAOYSA-N	482.290	3.505	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2cccc(N(C)C)c2)ccc1OCc1ccc(C(=O)O)cc1	1097176	GQHPVDHJNBGQNI-JFLMPSFJSA-N	477.517	3.568	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccccc3Cl)nc12	2377365	BCNSRFGRHCGSGT-NWNNTGRJSA-N	464.909	3.651	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc(Cl)c1OC	6151699	MGFMHQJXKPHBCM-WSDLNYQXSA-N	479.967	3.983	50	40	JHGB	
C/C(=N\OCC(=O)N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1ccccc1	8400466	DCJRNHOMVCGKCG-HKKPEAQQSA-N	450.451	3.816	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)cc1OC	12275263	CMVZPWDRXZRPHW-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1ccccc1	13955598	ZEXJJVVOTPWJOS-RUZDIDTESA-N	452.514	3.873	50	40	JHGB	
BrC[C@@]12O[C@H]3CC[C@@H]4[C@@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CBr)([C@@H]3[C@H]52)[C@H]41	104294922	DXXPAKJRQFPFNI-SAWIUKDOSA-N	456.218	3.855	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1	408774985	DXFCOGGQYDSYJM-WPWMEQJKSA-N	489.553	3.900	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccccc2Cl)cc1	408785967	CUPSHMIURKPYMD-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)c1ccc(Cl)cc1	408789546	MFGPVAJHTXKNDK-SSDVNMTOSA-N	496.770	3.938	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	408892481	BWHYLJURSXNZJR-ZVHZXABRSA-N	458.923	3.945	50	40	JHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	409003815	VDDNRXBRTQIAHW-UHFFFAOYSA-N	452.308	3.705	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(F)c1	409138535	DHYRFYSBFFITLJ-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
CC(C)COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1	13096635	DLYBTVNTLNUAJV-CXUHLZMHSA-N	499.633	3.761	50	40	JHGB	
COC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	13856780	VZXCMAVXNYAMOB-LPHOPBHVSA-N	478.328	3.903	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	19947696	JEUIGGHQYNZHTN-HZHRSRAPSA-N	472.364	3.795	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)c1	19948433	XKCXIIXISGOCQZ-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	19950765	UMKHCBYWBOUZNX-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(I)c(O)c1	35132403	OJLNMHXYFDFKCW-SSDVNMTOSA-N	467.282	3.808	50	40	JHGB	
O=C(NNC(=S)NCCCc1ccccc1)c1cc(Br)c(O)c(Br)c1	408587310	TVWRJHAQCLPIOS-UHFFFAOYSA-N	487.217	3.659	50	40	JHGB	
O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1Cl	408644855	ILYFLGUPHXGJDK-UHFFFAOYSA-N	495.919	3.855	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	408784378	QSEVFMDIVXGOEN-CVKSISIWSA-N	469.538	3.797	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccccc1	408899901	RSAAICMYWOWWOQ-LFVJCYFKSA-N	454.504	3.626	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC	408996258	HAELDYZLEODZEV-MUFRIFMGSA-N	476.577	3.537	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1CC	409272828	SRCQYASWVQDTAN-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1OC	3144244	VCVWCICVHNZOAH-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1	8780723	YJCNLXIGXDRIND-ZVHZXABRSA-N	460.372	3.829	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9291324	ZORCBJKQOLBOTB-NRFANRHFSA-N	478.505	3.728	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F	9379747	ACBGMZKULYUMNX-SFTDATJTSA-N	481.549	3.861	50	40	JHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	9763117	KMXWVHVGZFFQTB-QQXSKIMKSA-N	473.514	3.926	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O	33605398	AUKFOAMNMHLGBG-FOKLQQMPSA-N	457.280	3.838	50	40	JHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(I)cc1	1058483	PTUJOUOCTFWQIQ-WSDLNYQXSA-N	460.271	3.982	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2c(OC)cc(OC)cc2OC)nnc1-c1ccc(Cl)cc1	1293745	VNHWMKKYYXTDHB-WYMPLXKRSA-N	489.985	3.887	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccncc1	1479462	DXVTWKLFGLKBSE-DHRITJCHSA-N	494.378	3.729	50	40	JHGB	
COc1cc([C@H]2c3cc4c(cc3[C@H](Br)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	1668070	VNDCSULMOTZMNT-KJYZGMDISA-N	477.307	3.812	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC	2246910	HLIYOHCOBAUOIO-HSZRJFAPSA-N	461.493	3.774	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(-c2ccccc2)cc1	9479253	YQRVUCIXJMHWFG-AFUMVMLFSA-N	470.518	3.782	50	40	JHGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@@]23CCCC[C@@]12[C@H](Br)[C@H]3Br	104284178	WCVOZXOSMBWBIV-MGTDTEAMSA-N	493.199	3.554	50	40	JHGB	
COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1	408816852	WSGQEPUDOPGBDM-MSXFZWOLSA-N	450.451	3.655	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCC(=O)OC	408910499	KRBXXTWHHCHZCH-LQKURTRISA-N	496.947	3.677	50	40	JHGB	
C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC	409128847	GYWDMLXQBULBSX-NRFANRHFSA-N	469.969	3.743	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1	409166264	CKQHJSHYPYTHEJ-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)nnc1-c1ccco1	409189277	OOVCQUDUXMLOIN-CIAFOILYSA-N	452.452	3.974	50	40	JHGB	
COc1ccccc1[C@H]1[C@H]2CN(C(=O)OCc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	659961	LAONXHQLDPRNSR-UPVQGACJSA-N	465.513	3.757	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	3146627	JTDKGFGPVPHNAW-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1	8405559	FLSLQFAQGTZMCM-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(Br)c1	8434825	IQRLXCGEVJUEBL-ZVBGSRNCSA-N	461.272	3.685	50	40	JHGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)CSc3nc(C)cc(C)n3)c3ccccc3C2=O)c(C)c1	9493360	NAOQCPZBAQBLOW-BKUYFWCQSA-N	487.585	3.651	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N32)cc1	12276061	JDVHMQUIHKWVMH-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Br)cc1	13400968	KKOLOKNGWBDNIE-KAMYIIQDSA-N	472.320	3.902	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC	16196206	MNESAOCPSQZYNT-OVVQPSECSA-N	493.585	3.601	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C1=O)O[C@@H](CCCl)C(=O)c1ccc(F)cc1	102511983	MLTAOUIQYIXOOB-ZABFYIBNSA-N	497.950	3.974	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)c(C(=O)OCC)c1C	108281752	IABKPEVCUISXIL-MHWRWJLKSA-N	469.515	3.900	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2O)cc1	408743537	AXJCRUGSNULEPJ-GHXNOFRVSA-N	450.232	3.560	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408910998	XZQXNUSWWDJZLM-VNSNFZHPSA-N	490.516	3.981	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1)N(c1ccccc1)S(C)(=O)=O	408922518	BNPWBOURVLBUIZ-WZGTUUFSSA-N	451.548	3.570	50	40	JHGB	
O=C(COc1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	904020	UOVJFALRIAAWOP-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3ccncc3)c(Cl)cc2Cl)c1	2627330	HAUHOTBGIGPEEN-UHFFFAOYSA-N	479.345	3.572	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O	3140088	STTQJUKIFRCIGR-AWQFTUOYSA-N	472.133	3.845	50	40	JHGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1)c1ccccc1	9235705	RCDMVVVMUCQFOV-LFVJCYFKSA-N	482.957	3.722	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)n1	16283793	CJCWBJHXFWIRQR-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1	19948437	BOUFYLYXRKRMSD-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1	19949624	KZRKPAHPGASLSS-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	20059937	CANRBEUZMDKLFT-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1O	22927927	VOIXUJQSPVUIPB-XHLNEMQHSA-N	472.589	3.648	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1	25435735	BCJMHVPIHYFSLQ-XSFVSMFZSA-N	473.529	3.903	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1ccccc1O	100921582	TZTCJMPXWLQKTC-SKXRWJGOSA-N	491.590	3.852	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OC	408547054	QZOUJKOCGAXJFA-RQZCQDPDSA-N	496.541	3.774	50	40	JHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408609939	SOQMIYVPSFIUNK-JVWAILMASA-N	480.362	3.837	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1Br	408761218	DAOVCUIYCMPXQW-QMFLXTPQSA-N	496.427	3.609	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1	409024254	INOZJZRSUATERR-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409240843	ILFRDJANDLNINL-SRZZPIQSSA-N	450.406	3.945	50	40	JHGB	
O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(Cn2cc(Br)cn2)o1	2090006	NTZQMVXQJKADOR-QFSHWATDSA-N	463.160	3.746	50	40	JHGB	
CCCC[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1	3230842	VAVVIAOWQRDAPK-MRXNPFEDSA-N	455.378	3.786	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)O[C@@H](CCCl)C(=O)c1ccc(F)cc1	8923201	MLTAOUIQYIXOOB-HLJFLRLJSA-N	497.950	3.974	50	40	JHGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)CCc3c(C)nn(C)c3C)cc2)ccc1Cl	10050651	UBLXELVWVFZFOZ-UHFFFAOYSA-N	454.958	3.972	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	20233312	WAGMXEPCJVDNAA-HZHRSRAPSA-N	484.559	3.662	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc(OC)c1OC	30902101	SMBKJEBCOYBTIP-YVNNLAQVSA-N	451.317	3.621	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1	101430362	RVLGDPPFSBBPCN-UKSXKPESSA-N	474.605	3.963	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br	408811172	LGSDJSMGKGXSPM-LDADJPATSA-N	457.324	3.657	50	40	JHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408863857	QOERZKLECGKLJP-XAOCGEIJSA-N	471.966	3.805	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1	408922795	GPCVTWXITNAREG-ZVHZXABRSA-N	497.554	3.847	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409066046	GTFYALNAJCDPNE-WGOQTCKBSA-N	465.575	3.653	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1	409256573	PJFRZCZCVSGNKN-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1086801	AMXNKHYTLXKDIK-AUEPDCJTSA-N	467.283	3.847	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2OC)cc1	10130577	CDEGNSWRGZRZGT-QGOAFFKASA-N	473.485	3.973	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1	2383908	DINIZBFMWLZYNI-OFGWUUMASA-N	458.522	3.697	50	40	JHGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cc(Br)c(Br)o1	3764542	IQUBPWSWYDWIQQ-VLUPQXHSSA-N	491.205	3.700	50	40	JHGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812380	FAOWLQFJRGLQJO-SRZZPIQSSA-N	456.255	3.992	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCC(=O)OC	8983613	OIUGWCORZCTJBV-RIYZIHGNSA-N	458.854	3.534	50	40	JHGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	9478715	WZIQVDNDUUKFHW-FQEVSTJZSA-N	481.552	3.780	50	40	JHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21	13567686	UKEAEPMWCFNUHO-SANMLTNESA-N	458.468	3.956	50	40	JHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	13942571	HFBXSEVULNYNEC-FOKLQQMPSA-N	469.281	3.810	50	40	JHGB	
O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccncc1	15906007	FGRYGOSNTIGYEV-LGMDPLHJSA-N	452.392	3.563	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1	19937050	VUWDNXLRACIWEH-JJIBRWJFSA-N	464.503	3.740	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c(C)c1	33618887	CFGDMGWTLRXNRH-UNOMPAQXSA-N	498.377	3.849	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1	39929436	VJWDPJSOTWMRDG-RDRPBHBLSA-N	499.571	3.754	50	40	JHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	58915121	VQTOHWLPEMYSRO-RHKYMZEHSA-N	482.606	3.716	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408758801	RJIBZYPZQSFAJI-MFKUBSTISA-N	462.462	3.775	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cc(C)cc(C)c2)cc1	408766723	FMYCXMOQUKQXOF-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(Cl)ccc2C)cc1	408878039	ZCDURSJGJBWRAZ-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1	408910259	GQAXLQYNYGLHHQ-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O	408981655	WBGHZNSMPYILPQ-KDPMPHTCSA-N	481.574	3.659	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	409026327	LZLCMIRHAWOVLX-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Br)c2)cc1OCC	409330642	CDFMANXBBGZIEB-FMCGGJTJSA-N	479.327	3.864	50	40	JHGB	
Cc1nn(CC(=O)c2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2)c(C)c1Cl	1024354	ZYZNFNOGYLKVQZ-UHFFFAOYSA-N	489.757	3.874	50	40	JHGB	
O=C(N/N=C/c1c(Sc2ccc(Cl)cc2)nc2ccccn2c1=O)c1ccccc1O	1878002	PAUBERXZLWGYJW-ZMOGYAJESA-N	450.907	3.969	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1OC	2310998	BGUHVZJHFVQCNC-NHCUHLMSSA-N	481.530	3.654	50	40	JHGB	
O=C(NNC(=O)c1ccco1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1	9508780	AXGCKPMTGGASTL-UHFFFAOYSA-N	460.320	3.524	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OC	408751274	YTKDZFGTOFDCPE-MFKUBSTISA-N	469.335	3.853	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1C#N	409000028	WQQWAMCIIZWLFO-NSKAYECMSA-N	482.880	3.549	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	409016128	SKALKEHYIODDCA-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	409025623	VATKLYGRDIGINP-XIEYBQDHSA-N	480.546	3.893	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nnc2-c2ccncc2)cc1	1069127	MITAEIHJMQHPTF-JVWAILMASA-N	471.590	3.946	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nc3ccccc3c2=O)cc1	1478394	CHEKOXQMSICNGZ-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
O=C(Cc1ccsc1)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	3400972	QJCHTWRXJDTWGO-UHFFFAOYSA-N	483.493	3.571	50	40	JHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	14922060	CTVJVHGQAKXHFY-ACNNEDIFSA-N	477.904	3.999	50	40	JHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	16693910	VNSHXDGVJJRPLV-ULJHMMPZSA-N	490.585	3.566	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1	32577052	ILWGLFCTVHRUSH-YSMPRRRNSA-N	458.543	3.945	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)c2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	40486386	YHOLQSIBFIHUPX-SFTDATJTSA-N	482.945	3.896	50	40	JHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	408719696	KDCIKRUAFFSPQH-FSJBWODESA-N	459.524	3.699	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC(=O)O	408790595	XEGPVAAJTPIXOF-OVCLIPMQSA-N	458.854	3.534	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(C)cc1	408876627	QQHCXVIUQMYETN-LZYBPNLTSA-N	462.287	3.970	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)nnc1-c1ccncc1	409192107	ADXFLAYJQRDTQR-YDZHTSKRSA-N	463.479	3.776	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1	409327292	RXPSSLHSWCIAEW-RTBURBONSA-N	487.375	3.999	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F	2309489	KECHZCQOLHDEOO-MOPGFXCFSA-N	457.458	3.915	50	40	JHGB	
Cc1cc2nnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)n2c2ccccc12	6195120	SFXQYTUQRGLRDU-UHFFFAOYSA-N	471.542	3.663	50	40	JHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	12933725	BHWSJWJGSHILDO-MRXNPFEDSA-N	493.514	3.996	50	40	JHGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)COc1ccc(Br)c(C)c1	14921959	QKAZUQMKPOOZNK-LPYMAVHISA-N	463.288	3.565	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccccc2OC)cc1	409029295	YOWKUASHYGWADN-XQNSMLJCSA-N	473.576	3.501	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1C	409271242	KXSUAUUFCNQVGS-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409377121	DVKFWODXWZLJLR-UYRXBGFRSA-N	498.377	3.795	50	40	JHGB	
COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4OC)CSC3=C2C#N)cc1OC	2236921	HIKXKHYLWVCIGL-HNNXBMFYSA-N	467.547	3.940	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1	2287733	CTHLEONUZLXNHM-ATVHPVEESA-N	459.980	3.701	50	40	JHGB	
O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)NNC(=O)c1ccc(F)cc1	2621271	VYVUXPCPXASRRV-UHFFFAOYSA-N	479.512	3.825	50	40	JHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	8451684	GFMOOXKWORKVPD-OIUNUMOFSA-N	492.488	3.797	50	40	JHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1Cn1cccn1	12275852	MHRVCUYMGJYBBR-RLWLMLJZSA-N	472.570	3.892	50	40	JHGB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	12741683	MYBKJEMPZCJZFK-UHFFFAOYSA-N	493.994	3.821	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	16491065	LRXFVQAZIUYPFA-HZHRSRAPSA-N	478.412	3.923	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3C(=O)O)cc2)S(C)(=O)=O)cc1C	20059261	NWDLQTIEZYHZDD-CVKSISIWSA-N	479.558	3.732	50	40	JHGB	
CC1=C(/C(C)=N\NC(=O)c2ccccc2O)C(C)C(/C(C)=N\NC(=O)c2ccccc2O)=C(C)N1	104286173	LJUGNDOZJHLHOI-SZVCAHDZSA-N	475.549	3.797	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408807459	CJRUXJGQISMSBL-YVLHZVERSA-N	455.308	3.702	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1C	408847590	NQDLURRVCBLUOT-BWCLHNGZSA-N	470.529	3.936	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408912867	RTEGGSDPHCDVCY-FBTHGLLTSA-N	450.451	3.662	50	40	JHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	408987563	FSTUSRQHXAKPTD-JFFJSXPNSA-N	485.544	3.949	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1	409168750	NIOMUWFOGAPRFY-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	949510	BPIXBFINZJMHSJ-DCMOEJRUSA-N	456.502	3.792	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Oc3ccc(Cl)cc3)nc12	2405446	HZGOOZYBZSNJKJ-APEZIOSESA-N	464.909	3.651	50	40	JHGB	
CCc1nnc(NS(=O)(=O)c2ccc(N/C=C(\C=O)c3nc4ccccc4o3)cc2)s1	6088677	SKOVIYWYYHOACX-ACCUITESSA-N	455.521	3.694	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1	13957630	LRSYYCNLQJFIIC-AREMUKBSSA-N	482.540	3.881	50	40	JHGB	
C=CCn1c(SCC(=O)NNC(=O)c2ccccc2C)nnc1C12CC3CC(CC(C3)C1)C2	14945342	RUQOCXBOHAQSIK-UHFFFAOYSA-N	465.623	3.794	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2C)cc1	20059953	HTVHQIKQGIFUHY-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	20213417	VDHNBUOBVWQKCA-AUEPDCJTSA-N	479.933	3.997	50	40	JHGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl	27774858	OCQMCCNMYCANOG-HCVBEMKVSA-N	484.449	3.954	50	40	JHGB	
CCc1c(OC)ccc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1OC	408728203	WOFGDWRYTFRJFX-PKAZHMFMSA-N	495.601	3.996	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1	408784488	CQJLPKBYTONDJK-WGOQTCKBSA-N	479.558	3.601	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O	408789927	ORRYBTLWKFJKBV-CVKSISIWSA-N	499.976	3.784	50	40	JHGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccccn2)c1	2634941	QXATXTNSYIZUSE-UHFFFAOYSA-N	466.563	3.563	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)S(C)(=O)=O)cc1C	20059237	FMRPJKFNKJNTNX-MFKUBSTISA-N	480.546	3.942	50	40	JHGB	
Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc(C)c1Cl	30937393	PZPZQOXFMJQQKV-IFRROFPPSA-N	456.680	3.862	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	59922529	WSGUPVHEINTSOG-CVKSISIWSA-N	463.490	3.737	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1C	408838534	XPFXVOCXNTVNEN-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	408889859	KANVOYAHOCHGAG-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC	408981582	VXOJVRAYJCYDHT-XBIXJXDHSA-N	481.574	3.572	50	40	JHGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1C(C)C	408988005	GPPUMHDRHOKRGM-GPYFUORASA-N	477.565	3.838	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-]	409007153	UAYLFNJYBLGKOU-WYMPLXKRSA-N	479.320	3.913	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2c(O)ccc3ccccc23)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	409060992	BGCTZMXKMZNCAK-WKIKZPBSSA-N	457.877	3.689	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2O)ccc1OC(C)=O	409226175	PJXSKIMUDPJPAD-ZMFRSBBQSA-N	482.876	3.963	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OC	409238612	BAXCKXZQEAWFJI-AWQFTUOYSA-N	453.362	3.506	50	40	JHGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	409408244	JRETYZRZHDTEHZ-ODKHDCHRSA-N	455.426	3.675	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	2177610	ZSICWDLOXQTADF-MFKUBSTISA-N	480.546	3.553	50	40	JHGB	
CCC(=O)NNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12	13943896	MPGBMYGJXPKLAV-MHZLTWQESA-N	482.540	3.946	50	40	JHGB	
O=C(CCCCl)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O	16383293	SQZSOMRLSMQVIA-UHFFFAOYSA-N	458.559	3.742	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Br	16479486	HDJFRWPACRJMGF-BUVRLJJBSA-N	486.391	3.790	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@H]1c1ccco1	20348572	BIQLVNDTOPLSPH-NRFANRHFSA-N	480.502	3.985	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OCC	408922720	REEQDXLCLYHXEA-FSJBWODESA-N	488.393	3.707	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	408925333	RAKSOIKCEACXKN-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc(OC)c1O	409014586	NDGXMHPQIOBZGY-XYGFXTTESA-N	487.984	3.843	50	40	JHGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)cc(I)c1O	409105756	JIYIJSNAYCEIPF-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1	1478352	SRQWCVBQYYCROR-CVKSISIWSA-N	474.542	3.645	50	40	JHGB	
COC(=O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3Cl)sc2=O)c1	2238115	DGTOGNZHXKNONK-AUEPDCJTSA-N	464.330	3.815	50	40	JHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9088697	LVKMJLPMYHFBNP-GOSISDBHSA-N	451.548	3.977	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2c(C)cccc2C)c1	9373620	RULRLENPHNMHGO-UHFFFAOYSA-N	484.603	3.744	50	40	JHGB	
CC(C)c1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1	36760705	GYGAHEDHRVZFSG-ZDUSSCGKSA-N	479.434	3.777	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	58918462	MCFCTIRYGRFYHS-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c(=O)c1C#N	98087126	LWCDSEPYPQTTFW-XODNFHPESA-N	478.936	3.558	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cc(C)cc(C)c2)cc1	408782415	HXXXBNUGIAKTRT-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)O	408795710	MJZVKIXTMSPJIQ-AWNIVKPZSA-N	490.266	3.765	50	40	JHGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	704972	OFGILAYHJGVFRE-OPEKNORGSA-N	461.869	3.732	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1435682	FKOSVZKYPIRMDA-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
CC(C)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	4157175	SVUJUPXKXPYYLF-QGYQQZFISA-N	499.199	3.782	50	40	JHGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccc4ccccc34)nnn2-c2nonc2N)cc1	9123802	KKSOGSBZUXPYJB-JFLMPSFJSA-N	482.504	3.605	50	40	JHGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N	15018616	ORBORCIVILHAKM-RPPGKUMJSA-N	492.561	3.966	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	100887925	QTMPRUMHCLONRT-FHWLQOOXSA-N	484.375	3.930	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1	408786937	YCJVQZITTHFTQZ-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409251492	QTWUZCFNPSPODD-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1	409253074	AOQRUANGDZOUGS-IPPBACCNSA-N	496.926	3.572	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409268890	ZEIJCYVEKKZZBR-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9894197	OXHUTNUEOCGODB-UHFFFAOYSA-N	462.509	3.602	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCC	10038242	GTCICAXDSKQAAW-UFFVCSGVSA-N	482.274	3.581	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	16309554	BKICVFHMIFHHIJ-QFEZKATASA-N	487.965	3.708	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccncc2)cc1	16712202	OCGGKUVKGBZCSC-AFUMVMLFSA-N	473.518	3.788	50	40	JHGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	19952672	WZOQLMQHIPFYFV-WYMPLXKRSA-N	463.346	3.734	50	40	JHGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1	59960113	UIYVWTQMAHTXRO-VSWHYLHOSA-N	478.936	3.685	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	211030873	WDNLAAIYENKACE-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)n1	408543163	PSTNHXPYQNZXPO-YSURURNPSA-N	463.519	3.630	50	40	JHGB	
O=C(NN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640707	BPCWKWJPGMNCEB-DBIOUOCHSA-N	498.986	3.560	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1Cl	408718519	USEWKMMSDNQBCA-LSFURLLWSA-N	459.127	3.531	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc(C)cc1	408748215	AFAWTWWAVHYYFY-BUVRLJJBSA-N	483.502	3.834	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)OC	408765499	XWFVAYIOHHMBKG-DHDCSXOGSA-N	459.296	3.945	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	408786812	WFLFDWKXVWVNJU-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408977962	GJUPLHAJXGTHAM-USMPFQSLSA-N	473.529	3.640	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCC(=O)O	409054605	UCGTVUIDNYLJRI-ODCIPOBUSA-N	455.692	3.647	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1	723704	OIWMBRACPCSIJB-VULFUBBASA-N	462.458	3.562	50	40	JHGB	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NNC(=O)Nc2cccc(Cl)c2)c1=O	2585292	MZTZKWAPHBAUAJ-UHFFFAOYSA-N	498.930	3.955	50	40	JHGB	
Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccnc3)ccc12	2663208	YONHIBHLODFADW-WKULSOCRSA-N	479.496	3.878	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1	8820528	PIAKTBTXVFMQAQ-NUTLWWKQSA-N	451.573	3.685	50	40	JHGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc(OC)c1OC	10007580	ZNCBAWVSFMYISM-KRWDZBQOSA-N	467.547	3.731	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccccc2C)cc1	20059079	XZJZJOTVTVOWBA-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1OCc1ccccc1	20211639	IRXQYOAUMXMKAR-JVWAILMASA-N	499.564	3.720	50	40	JHGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1	24305668	OGIUOEFZJKVNES-UHFFFAOYSA-N	496.347	3.937	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OC	83292649	GLEPTDQFZKEWNE-KOWBDXASSA-N	482.318	3.662	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(Br)cc2)cc1	408752928	DKKGOLYZQJWVPH-PPRFWAEMSA-N	466.401	3.601	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	408783863	NWYGHYOUJQCLDM-NCELDCMTSA-N	480.546	3.915	50	40	JHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1I	408961521	CPNNVBCQLVKPRZ-GZIVZEMBSA-N	492.191	3.537	50	40	JHGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccc(Cl)cc1	2726840	TTYJDWYHUYGTAE-DNTJNYDQSA-N	459.671	3.534	50	40	JHGB	
COCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2cc(Cl)ccc2c1=O	3494251	MFNAOYWZKPSNEA-UHFFFAOYSA-N	467.938	3.630	50	40	JHGB	
C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)C(=O)NNC(=O)c1ccccc1	9955863	OLBDOHXLNNTQMA-CQSZACIVSA-N	494.598	3.530	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1	9958770	UKQBCWGHTCTESR-UHFFFAOYSA-N	497.617	3.864	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1	15231238	IYTDDFWPGFRIOI-ZMOGYAJESA-N	461.893	3.974	50	40	JHGB	
C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N/N=C\c1ccc(-c2ccc(F)cc2F)o1	16322224	XDPSVKJOQKAXKE-IFUVNARDSA-N	454.462	3.831	50	40	JHGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1	23740594	KVEJWMRAGITDSM-KBKYJPHKSA-N	488.861	3.657	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	59246559	DPPNIWGNKVTHMV-MYKKPKGFSA-N	484.753	3.603	50	40	JHGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC(=O)O	408567357	DAYNCVPSSIVMBN-WCIBSUBMSA-N	493.232	3.843	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1C	408829054	KJIWOGHKRYFACV-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408838220	SRWBBWWGCKMJPU-QPEQYQDCSA-N	463.321	3.520	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408841597	LUJFBFMMOMBCEO-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	409160514	QSTHZAZEAUAOQR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)c1	409164672	LVEPAJUGCDEXEB-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O	409227954	XZRPIMAGSSBYMY-MSXFZWOLSA-N	469.837	3.946	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	409260733	VMSGVHSLATVUQZ-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
C[C@H]([C@H](Br)C(=O)OC(=O)[C@H](Br)[C@@H](C)C(F)(F)F)C(F)(F)F	885164012	AQSVLWTYQRVDST-KAZBKCHUSA-N	451.983	3.980	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccc(O)c1	708561	FANDKXFYQNUWJL-MRXNPFEDSA-N	458.337	3.865	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc([C@@H](C)Nc2ccccc2C)n1C)c1ccc([N+](=O)[O-])cc1	13882179	QQTVIBUPDUKTCR-DTVDJLOLSA-N	467.555	3.837	50	40	JHGB	
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNC(=O)c1ccccc1	13955599	ZEXJJVVOTPWJOS-VWLOTQADSA-N	452.514	3.873	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20209078	RDYAUXOTYVBOAV-HIXSDJFHSA-N	461.584	3.524	50	40	JHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	27500013	CDGRRVAZXRIERM-LGJNPRDNSA-N	464.888	3.862	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58882145	RGEXSIOQCBOSLO-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1	59960213	XUTOZICOCFURGU-CCVNUDIWSA-N	490.482	3.622	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	408865600	CZYYOQVGDCOHHG-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1	408907224	MYEUQQGRKIGHPJ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941712	QHULBAQABWNSFQ-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409014466	PKSJMTLJQPYCDV-JFLMPSFJSA-N	477.517	3.559	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(I)c1OC	409132159	LODDXCFAWPWIKE-KRWDZBQOSA-N	464.259	3.622	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409219854	QWZDIZWWLPMYII-UHFFFAOYSA-N	492.488	3.719	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(I)cc2)n1	409240610	UQDJSIQFPRBZAP-SRZZPIQSSA-N	491.358	3.731	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1	1270684	CXKOLDQWGWOJLD-AFUMVMLFSA-N	475.530	3.597	50	40	JHGB	
O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(CC(F)(F)[C@@H](F)Cl)cc2)C1=O	9870497	SRELTXQTSCWCOR-SCLBCKFNSA-N	458.845	3.916	50	40	JHGB	
O=C(NNC(=O)c1ccccc1-c1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)o1	10735863	NHSFWMAPCVFIEM-UHFFFAOYSA-N	460.511	3.995	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19950127	BPDMHQZQBKUXIF-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1	20468094	BAHGJBCXYNXQKQ-SFTDATJTSA-N	465.550	3.888	50	40	JHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2C)c1	408968101	UGAKBNFKFKPYCG-QFEZKATASA-N	464.478	3.708	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	408968972	DUYOZMSCMPQQEQ-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	408973490	STOIYGMBAKVKJK-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)Cc2ccccc2)cc1	408980678	SFRYSVXORKZZQM-CVKSISIWSA-N	498.992	3.640	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC	409186769	HQMZKCJQBAFIMJ-QFEZKATASA-N	454.479	3.936	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	920420	JERCFEIVVSACQL-DEDYPNTBSA-N	470.529	3.606	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	2176149	XLGJXTMGXXGMHZ-WSDLNYQXSA-N	458.367	3.699	50	40	JHGB	
N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1	2198045	QTUMZEOFHXIYGF-NBVRZTHBSA-N	454.939	3.677	50	40	JHGB	
C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccccc1	2236214	PGEXNCTZQKDCTN-KJXVGZKYSA-N	465.469	3.897	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)ccc1OCC(C)C	12894254	XXKNNULLYAWXMS-UHFFFAOYSA-N	483.594	3.616	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C(C)C)cc2)cc1	16309531	ACVJIWMTRVDILZ-UHFFFAOYSA-N	490.585	3.786	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33575335	ZNZOSKMTCXYTCQ-ZVBGSRNCSA-N	492.307	3.888	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	33806945	NBZKWAHSYWRCTM-PKAZHMFMSA-N	495.601	3.744	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC	38153997	GGKXPNLNHSSFDX-FQEVSTJZSA-N	492.557	3.696	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)cc(Br)c1O	105578033	YWYJKKZEGCOAMU-LSCVHKIXSA-N	457.078	3.518	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2C)cc1	408783476	PNSCPQGMSPEBMX-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19948486	CHHHLRNKKGUXBS-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19950811	WMZFGKGXTQKUIW-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1	58853795	YAQQQYPUSOAQQG-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)c(C)c1	59472783	CKKMBNFLSNWEGK-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408745239	KTPJRYWGFSAZEB-DHDCSXOGSA-N	489.322	3.954	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC)ccc1I	408746750	GPEAWGJTTYQSMI-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C	409157935	QQUFVKPDOTUQNU-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1	409168945	OAQIKYNAHCKTMN-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC3=C2C(=O)CCC3)ccc1O	2216000	CTWBMAHKNDAPQX-IBGZPJMESA-N	468.560	3.658	50	40	JHGB	
O=C(CCc1nc(-c2ccncc2)no1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	14022635	NIXNLDKCVMSZJX-UHFFFAOYSA-N	477.908	3.758	50	40	JHGB	
COC(=O)N/N=C(\CCCC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C#N)c1ccc(CC#N)cc1	17188811	VYPZXJBFPDJLPG-SQWATYMUSA-N	462.466	3.789	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	19949912	WIKOQNFHTDVUEW-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(Cl)c2C)cc1	20207040	SRNYEONOQGNESA-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1OC	32577010	NQIZBUCRYHMLLX-OYKKKHCWSA-N	453.568	3.923	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	58913668	QBHDPUSFCRXWBW-JFLMPSFJSA-N	460.534	3.976	50	40	JHGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)cc1	100539744	ODDDSEGRTUEPNP-LVTVNPDKSA-N	477.978	3.731	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc(Cl)cc3)C(=O)C3=C2CC=CC3)cc1	101181530	YZIFUSIPEBGEOH-HFTWOUSFSA-N	481.961	3.826	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408720214	ZOTDNQGECWYXDX-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(C)c1	408878881	DEWCLWVXIXLCPP-LZYBPNLTSA-N	462.287	3.970	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1	409260127	LEONBJMBIOBWTD-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC	1104571	LMIGPUJBTCVSKT-RGVLZGJSSA-N	483.262	3.761	50	40	JHGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1	4458655	ZSLDBYDRXFTYPD-GATIEOLUSA-N	461.869	3.732	50	40	JHGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1NS(=O)(=O)c1cccs1	6130855	KEXLMHGTQOUFML-QRJSFIJRSA-N	456.505	3.886	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC	8935213	CIWLQPDTZBKMDB-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NNC(=O)c1cc2c(s1)CCCCCC2	12697427	NRNDWSFAPQGMBM-UHFFFAOYSA-N	484.647	3.978	50	40	JHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c2ccccc21	13567698	NVAVZIRGTHCDOG-DEOSSOPVSA-N	475.346	3.884	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)cc1	58872907	OQXRGRYUOZFKKE-MZJWZYIUSA-N	471.517	3.741	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OS(=O)(=O)c1ccccc1	408882064	PVRUBGZXTIZWGA-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	409062739	ABMKYQRFYLVCRS-JVWAILMASA-N	495.601	3.749	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccncc2)cc1OCC	409062851	BSGXLGOVTNHJHQ-MTJSOVHGSA-N	453.280	3.638	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2Cl)cc1	409066673	WMHGJLDFLJTGHM-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C(C)C)nc2ccc(Br)cc2c1=O	409276973	YOCGSDPPHJUXKT-UHFFFAOYSA-N	473.283	3.998	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3[N+](=O)[O-])CC(=O)N2)cc1	2292256	FMSRKPLTYVRJCI-KRWDZBQOSA-N	452.492	3.704	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)cc1Cl	8385826	CMKLLLHKXLBYJA-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CCC3)c2ccccc21	13567697	NVAVZIRGTHCDOG-XMMPIXPASA-N	475.346	3.884	50	40	JHGB	
Cc1cccc(C(C)C)c1NC(=O)/C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=N/NC(=O)CC#N	17214949	GDWHXJGDZLZPMH-KOEQRZSOSA-N	466.454	3.502	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1OC	105975373	XMUFYKVKUNEGNO-CEXWTWQISA-N	489.475	3.805	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408610535	NUIKSZCDIBQUNP-JFLMPSFJSA-N	496.361	3.803	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C)c(C)c2)cc1	408785439	ZKNPDHWTDWPXAJ-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1	408833453	SLKBRGMIQWZOGY-ZQZJVFIWSA-N	461.518	3.724	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408912869	RTEGGSDPHCDVCY-UDIPQKBFSA-N	450.451	3.662	50	40	JHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O	409032289	CGUSUENJEYKWPL-SDNWHVSQSA-N	481.302	3.848	50	40	JHGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1O	409144861	QHXGWFDBJWUGIY-WGOQTCKBSA-N	481.574	3.829	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OC	409391922	MAYKSOZBJFZOQQ-RPPGKUMJSA-N	455.898	3.616	50	40	JHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)c(Br)c1	3170437	XAGIPPVYTIAJQR-VULFUBBASA-N	466.335	3.553	50	40	JHGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C2\C(O)=Nc3c(Br)cc(F)cc32)cc1	3305799	UHGIFUBIAYTOJV-UHFFFAOYSA-N	489.330	3.745	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C(=O)O)cc1	9323497	IFSNSMXNAOXHMB-OPEKNORGSA-N	484.852	3.693	50	40	JHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)c(O)c1)c1ccc(Br)cc1	16449219	JBIGCCMVIMPADT-FSJBWODESA-N	454.280	3.877	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OS(=O)(=O)c1cc(C)ccc1C	23741095	HFKPQQBXBRPKIX-JFLMPSFJSA-N	481.574	3.950	50	40	JHGB	
COc1c(Br)cc(Br)cc1/C=C/C(=O)NNC(=O)c1cccs1	32118993	IKPDRIWNIAZVDT-SNAWJCMRSA-N	460.147	3.756	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58882085	LMGCGHSQFTVWFA-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c2C)cc1	58913132	FMZVAVGLMOBSON-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408610527	NRKRKEOSSGLWLX-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677776	UUCNSUAQPIZBTA-ZVHZXABRSA-N	474.355	3.755	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c1	408863040	KIFGALLCYFKEOD-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)o1	8451686	GFMOOXKWORKVPD-DZRUHTPESA-N	492.488	3.797	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	12250309	QCWCBKAOARDECI-FCHUYYIVSA-N	477.586	3.976	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	20212017	HFBGVAQUDYBNNS-DHRITJCHSA-N	471.966	3.517	50	40	JHGB	
CCOC(=O)[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	21981443	BOPHRTLZDHJBDY-LNWOGWPKSA-N	484.967	3.909	50	40	JHGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(-c2ccccc2)cc1	36006897	LBJZLYIJXIMKCJ-XAYXJRQQSA-N	490.629	3.509	50	40	JHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	59463307	UBBXGSKRIOIYTG-NUGSKGIGSA-N	487.266	3.908	50	40	JHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59516159	VACSVHKRRYERHH-UHFFFAOYSA-N	475.611	3.967	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	408605222	LAXCHFUTIPMFGI-GOSISDBHSA-N	451.464	3.803	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408605857	NFUXCCMGNGPIBT-OAQYLSRUSA-N	492.557	3.798	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409040731	UHHFLQMWOLMWPW-XWWDOVJKSA-N	469.497	3.738	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(C)c1	409155463	ISKDZBGBCJSYHP-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1	714310	QSBPYAFCPSJXAD-NRFANRHFSA-N	458.543	3.859	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3)nnc2-c2cccnc2)cc1	1479598	RUEHNSUMDPRWQE-JFLMPSFJSA-N	488.573	3.979	50	40	JHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3213837	FFPMFQUUFHLYCF-LPYMAVHISA-N	458.883	3.813	50	40	JHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(Br)c(Br)s1	12698647	OWRZATRHVFJXNF-ZETCQYMHSA-N	466.126	3.641	50	40	JHGB	
CCO[Si](O[Si](OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	195780501	QRZBTGCXOVMETC-UHFFFAOYSA-N	470.717	3.589	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1OC(C)=O	408751138	WYWNLNVQZHANKQ-CVKSISIWSA-N	497.345	3.769	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC#N	408788919	NBQMTAQGIQUAJU-NTUHNPAUSA-N	457.240	3.814	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC	408979644	NOPNUDZHZMCLDU-XBIXJXDHSA-N	481.574	3.572	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2ccccc2)c(C)c1	409144586	KXUOVGQHXVWDJG-CVKSISIWSA-N	465.575	3.659	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)ccc1OC	409318332	UVPFCXRKLVCCSR-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1	1775840	SROYMOFWLVVLDR-NBVRZTHBSA-N	476.485	3.537	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1OC	2360506	LJUKXJGGQPXJBX-JOCHJYFZSA-N	473.529	3.757	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@@H]3CCCN(c4ncccn4)C3)c3ccccc3n2)cc1	12849515	ACHAWULBBSETOH-HXUWFJFHSA-N	466.545	3.678	50	40	JHGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12	13785210	WVJQTMDJTRUZPB-VLFWRSRWSA-N	467.529	3.519	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)n1	28215087	OWFSVUIPINFLQH-FOGHPNEFSA-N	477.590	3.592	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1	33155032	HRMPOAVTOMMZCW-FMCGGJTJSA-N	451.508	3.823	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1	58914599	MTUPKBVTSFPYGK-NHDPSOOVSA-N	457.240	3.706	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Br)ccc1OC	408605520	LTRIACRQCRCLPI-QGZVFWFLSA-N	476.400	3.711	50	40	JHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408609827	LRBHPAORFGZNNC-BHGWPJFGSA-N	466.763	3.904	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c1	408775937	XCBDIJBZSNDGIL-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccccc1	408777042	UVAVXKFZXFPNCG-XIEYBQDHSA-N	451.548	3.690	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408817912	MKFGPOGROODEAM-CHHVJCJISA-N	493.741	3.886	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	409109928	OAWBGLDBFORTDQ-ZVHZXABRSA-N	451.951	3.953	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409166496	DXZNTNLYFASJER-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
O=C(N[C@@H](C(=O)N/N=C/c1ccc2ccccc2c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	8895714	LYEOQLJNWYQGGL-QRGARVHWSA-N	475.508	3.698	50	40	JHGB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	8927558	IXQRYBCQWCIIPA-IEBWSBKVSA-N	477.344	3.565	50	40	JHGB	
O=C(CNC(=O)c1ccccc1F)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	9442464	FLVAISQAJFVPMR-UHFFFAOYSA-N	471.941	3.962	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	9980980	MHTRGMKPBKJNNU-LEWJYISDSA-N	497.960	3.652	50	40	JHGB	
Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N3N=C(N4CCOCC4)N(c4ccccc4)C3=C2C#N)cc1	12584303	UXGMCTCCTYNXGJ-HSZRJFAPSA-N	482.466	3.636	50	40	JHGB	
Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)nc2n1	13102169	OIZHAFSNUSLXQV-UHFFFAOYSA-N	466.954	3.762	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=c3/c(=O)c4cccc5cccc3c54)cc2)cc1	95949765	LEMZVBCJHLRPKN-PBBVDAKRSA-N	497.576	3.604	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1OC(C)=O	408757906	DPESOGWGRZKEDX-ZROIWOOFSA-N	462.243	3.771	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408963781	ASUHQXKUWNEGTD-OPEKNORGSA-N	492.301	3.564	50	40	JHGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cc1	409219607	SCYMTRAOCLDMSP-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccc(O)c(O)c1	1434291	QQEYFWHDQADKSN-CGOBSMCZSA-N	477.540	3.838	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	3318373	ACMQKXABUNBBJV-AFUMVMLFSA-N	461.319	3.971	50	40	JHGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	9311082	FZIDIVXWZHNZHT-SSDVNMTOSA-N	453.436	3.933	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19950140	JQJRKVCSVXCFBA-MFKUBSTISA-N	485.949	3.611	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2Cl)cc1	408978131	HELVLJJODLPRDM-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(F)c(Cl)c1	409264378	KZYBBWBQIHJEHK-KKMKTNMSSA-N	486.862	3.725	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccc(Br)cc1	667344	AYSNWORNSIYHJK-WSDLNYQXSA-N	474.384	3.979	50	40	JHGB	
O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccc(O)cc1O	1434295	CLWYUNHXPIJKAW-CGOBSMCZSA-N	477.540	3.838	50	40	JHGB	
O=C(N[C@H](C(=O)N/N=C/c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	8666479	FWUWEAZKNWCZME-BUSZIJHZSA-N	475.508	3.698	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	13526932	HGMPIHXOLKOQSE-LGJNPRDNSA-N	491.447	3.968	50	40	JHGB	
C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NNC(=O)OC(C)(C)C	17398757	ZOPOYVBHJGPJML-LBPRGKRZSA-N	460.581	3.829	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)o2)cc1	20213928	ONIGSHIVVONPPR-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)cc2C1	24309409	MAOJYVDNIHTTGR-OAHLLOKOSA-N	458.543	3.647	50	40	JHGB	
C/C(=N\NC(N)=O)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841644	UZPOAUYHYVBDIG-MHFVLESRSA-N	462.550	3.777	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1	96581198	NQGOQBACPIFTNU-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(I)c1OCC	107948155	SVHQGSGOQKTNSR-MTJSOVHGSA-N	497.289	3.690	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1cccc(Br)c1	408772682	HALCGMIYDHADNB-PXLXIMEGSA-N	466.401	3.879	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1	408925435	SZGOVCVPWYSVRQ-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC#N)c(Br)c1)c1ccccc1	408999724	RPNFKJYIWVOMIX-MAKCPWPFSA-N	473.327	3.679	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409008144	UPFNIXGJDQVEHL-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	409029487	BCQUUBASIGRSBI-DQKQXWASSA-N	457.442	3.688	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2ccc(Br)cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	409062290	RIVZFYWBIJJQLQ-MYKKPKGFSA-N	470.714	3.592	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)c1	409268730	YHRIYUYLRSIXEM-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(F)cc1	8384202	UQLYCZWJWKADFZ-BHGWPJFGSA-N	465.856	3.804	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1	13814731	OLQRSPNTIPLQKS-TZFALNRWSA-N	450.498	3.997	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc(Br)c1OC	20086277	MKRQWASRKHPBHD-QGZVFWFLSA-N	468.307	3.536	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	57315302	ZMZPDMVTKRMZNZ-TURZUDJPSA-N	456.546	3.698	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	59472973	FUHUZCBXEIKAPT-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCc3ccc(F)cc3)CC2=O)cc1	408606025	LAJIASYSCUTEHQ-GOSISDBHSA-N	479.508	3.918	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)O	408820248	WDIQHLZEFPBYMF-YVNNLAQVSA-N	461.268	3.821	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408854227	AGDDYIWTMYMRGL-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc1OC	408965035	FOOFAQJRAXCUTD-KSEXSDGBSA-N	479.249	3.639	50	40	JHGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(Br)c(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O	409140660	HLYQSAHMRNVBTK-IBGZPJMESA-N	490.398	3.849	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409249478	JINSUQAQFSSZLS-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(-n3cccc3)cc2)sc2c1CCC2	5947985	LLEDPIHHSLKXAY-CVKSISIWSA-N	464.547	3.683	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762051	BSWWHGFDLXIWBC-FUFBJECKSA-N	481.858	3.873	50	40	JHGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3)nc2s1	20331845	NVKFNVDJBXIVCU-SFQUDFHCSA-N	457.515	3.838	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccccc1	28213826	QYFNHDSYRGVSQR-JFLMPSFJSA-N	492.557	3.674	50	40	JHGB	
N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2oc(=O)[nH]c2c1	96311093	NKJNIFWOVYXNFQ-KPKJPENVSA-N	450.252	3.819	50	40	JHGB	
CC(C)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	100550265	SVUJUPXKXPYYLF-JQVOGXOBSA-N	499.199	3.782	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408614488	CTZKSKSMSYFFLB-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1	408662010	MSTJFJIVXZTXGI-YRPNKDGESA-N	489.355	3.905	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)c2C)c1	408827581	KXJOXQKSLOLRMQ-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	408923847	HGSKTOGNGVQUTA-WXUSHSQQSA-N	482.400	3.543	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)O	408954537	RFZDJRAUKQSFAE-MFOYZWKCSA-N	467.909	3.949	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1Br)c1ccccc1	408978259	HKQWDRZUPGKGRT-YXUUZYBBSA-N	478.343	3.794	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2cccc(Cl)c2)cc1	409052850	ISJWRLYFBRPWLZ-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cc(Cl)cc(Cl)c1	409184610	HHZCXPYMMHXHEA-ODCIPOBUSA-N	452.722	3.702	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)cc1	409185233	KKKHEPJUACLQNN-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)cc1	409249986	KRGJXFPNUZHFPC-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(F)c(Cl)c1	409261002	ZRLDWHRSVCDHCW-KKMKTNMSSA-N	486.862	3.725	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1OC	409325167	XIBLNRJZPUAOHA-NHDPSOOVSA-N	484.290	3.567	50	40	JHGB	
CCOC(=O)c1c(CNC(C)=O)n(CCBr)c2cc(Br)c(OC)cc12	1103272	KIVMXZWOAAREBZ-UHFFFAOYSA-N	476.165	3.620	50	40	JHGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)COc1ccc(C)cc1Br	13562710	RPEBGOCYMAHMEB-BUVRLJJBSA-N	461.360	3.723	50	40	JHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCOCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12	13759269	HYEBHMJODXBRDI-KNTRCKAVSA-N	472.545	3.859	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1	19948442	GPSQNQMCQZUIGU-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	19951399	TULAHIOTTPFLFS-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc(Cl)cc1	34700877	FVCMOVCNIVFRDK-MLPAPPSSSA-N	468.678	3.924	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	58915295	MTNRPAUHQUAOFH-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
O=C(NNC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F)Nc1cccc(Cl)c1	97944986	OWBMJFJDKZYQSG-LBPRGKRZSA-N	459.652	3.687	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	408755475	NWDLRBWRPUPBDI-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C	409012085	ITLIHRRCJNBCTD-NTFVMDSBSA-N	491.544	3.949	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1	409021561	NQQBLDZCPFTQPR-FDVSRXAVSA-N	472.476	3.921	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1OC	409128885	HANCPVLUNFUQLA-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)ccc21	669549	GDZIQTOKWVQSDN-CCVNUDIWSA-N	478.516	3.947	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	8836662	DMERSPWLMYWCRX-PKTZIBPZSA-N	480.484	3.657	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	9614400	SLSZWQFENWVVJB-VULFUBBASA-N	477.473	3.969	50	40	JHGB	
COc1ccc(OC)c(/C=C2\S/C(=N\NC(=O)c3ccc(Cl)cc3Cl)NC2=O)c1	13372431	BMCHYBVUDNJFAT-PXNMLYILSA-N	452.319	3.916	50	40	JHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1C	58915324	LENXSWZQXZTRHE-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
Cc1cc(S(=O)(=O)NN(C)C(=O)[C@H]2Cc3ccccc3[C@@H]2C(Cl)Cl)cc(C)c1F	95676340	NVCMURRHBHLJAB-IRXDYDNUSA-N	459.370	3.854	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I	408676747	NAHZGLLXHAMSOS-HZHRSRAPSA-N	473.314	3.667	50	40	JHGB	
CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408682457	GMCIPXFBZOICOX-WJQMWINMSA-N	450.329	3.543	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408862777	LZSADFVMADMRKD-YZSQISJMSA-N	499.976	3.847	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408906858	JGKAEULPGRJCID-SSDVNMTOSA-N	458.367	3.697	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	408907185	MCWJGUDLFXYAKI-FOKLQQMPSA-N	492.863	3.573	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC#N)c(Br)c1)c1ccccc1	408999732	RPNFKJYIWVOMIX-SDCZFJSOSA-N	473.327	3.679	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409010368	CIGSGSSDQHTESQ-DICXZTSXSA-N	461.518	3.859	50	40	JHGB	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409227317	UZGOFENFLYHFNP-UHFFFAOYSA-N	472.379	3.941	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1nc(C)c(Br)c1C	994205	NCBFESMFEBUINR-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)c1	9282358	GFIUKVKERJJBJH-INIZCTEOSA-N	469.295	3.780	50	40	JHGB	
CC1(C)Cc2nc(-c3ccccc3)nc(NN(C(=O)c3ccco3)C(=O)[C@H]3CCCO3)c2CO1	9307680	ZVAQOHPJYMJEGR-HXUWFJFHSA-N	462.506	3.763	50	40	JHGB	
COc1ccccc1NC(=S)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O	9703468	MZBSCYIBCCPRTB-UHFFFAOYSA-N	480.933	3.781	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC(N)=O	409221057	KDYCDWPGTWRXCD-XGICHPGQSA-N	452.667	3.922	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	2085071	YIBARODZCCTIDU-YDZHTSKRSA-N	471.410	3.756	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC	8811176	UQKDKYSPRVHECT-YDZHTSKRSA-N	461.312	3.641	50	40	JHGB	
O=C(N/N=C/c1cccc(Br)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9666090	XDAKQECDGPIHQZ-AFUMVMLFSA-N	461.319	3.971	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	20083573	SKNWJFDMGZXHHQ-FQEVSTJZSA-N	498.586	3.654	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(O)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1	20558729	ZQBZAYJNICGFPT-QHCPKHFHSA-N	487.537	3.927	50	40	JHGB	
COc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC	113467099	RJPGDLNRHFFDRA-QJOMJCCJSA-N	486.528	3.672	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1	408664948	QAWCLRBCWNFRGB-WTGUMLROSA-N	489.355	3.905	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OC	408766168	ZVQIXGZGLLWLPH-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
COc1cc(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1OC	408849341	ZNRBMDIQODRPEQ-JMIUGGIZSA-N	450.232	3.819	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OC	409235168	YTXONDQBYWPIJH-BOPFTXTBSA-N	476.314	3.964	50	40	JHGB	
CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OC(C)=O	1531291062	BTYXNEUYEMWYOW-SSDVNMTOSA-N	473.283	3.827	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	1433923	WDXSTFTZFWPTRM-UFWORHAWSA-N	489.107	3.597	50	40	JHGB	
CCCCCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21	1784175	WQSAPBLGRPQQTE-FAJYDZGRSA-N	491.617	3.784	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl	9720506	UAUBJEFWHGLEHI-NFONABDZSA-N	470.894	3.937	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1F	20211778	IOZHKYGQURYMGL-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
COc1cc(/C=N\NC(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)cc(Cl)c1OC	33333451	SQNLCRBCTQAVBF-HOCGEZQUSA-N	455.298	3.695	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409188291	FQUPGTUYLOAKEW-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409253001	AJJZFCBROIFACK-VYYCAZPPSA-N	471.542	4.182	50	40	JHGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	3643912	IJXRIZMWBQFZIU-BKBDBRRMSA-N	472.545	3.986	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12	9265323	NWYQRPDMOHJJRO-VULFUBBASA-N	456.458	3.989	50	40	JHGB	
CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	16753042	QRAIMRNLDRLHTQ-HAHDFKILSA-N	466.497	3.695	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1OC	19953062	USYLZQPZFIWZJQ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(C)(=O)=O)c1	58915482	YNOGNNCNQMETTI-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)ccc1O	58926075	YIOQTRDMWRZLJG-AFUMVMLFSA-N	487.965	3.784	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)O	408554363	RWNCDPLSQNJLSK-OQLLNIDSSA-N	451.504	3.906	50	40	JHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c1	408968425	WMUDPIUGQATDDT-DHRITJCHSA-N	465.579	3.920	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	408969898	WNLOZESXQJJVJO-AUEPDCJTSA-N	491.294	3.528	50	40	JHGB	
N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1cccc(Br)c1	409303562	NLNIFNXBNNPWAQ-KRWDZBQOSA-N	456.365	3.837	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1)c1nn(Cc2ccc(Br)cc2)cc1Br	1092010	CLUCKVZUHYMYHB-ZVBGSRNCSA-N	478.144	3.926	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc(OC)c1OC	1609735	KLYSZBKELNHMBM-ZVHZXABRSA-N	454.354	3.760	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3[N+](=O)[O-])CC(=O)N2)cc1	2292255	FMSRKPLTYVRJCI-QGZVFWFLSA-N	452.492	3.704	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@@H]1c1ccccc1OC	2588739	KVLNOABDWDBENZ-VXKWHMMOSA-N	493.541	3.848	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)cc1	20210646	SDUOYJZBUKWQSX-YZSQISJMSA-N	481.574	3.581	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1	20215181	OECUERZCBFQJTG-NLRVBDNBSA-N	479.558	3.606	50	40	JHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)NNC(=O)c2cc(F)c(F)c(F)c2F)[C@@H]3CCC1	57061289	LVVFEYYABXQTNM-GOSISDBHSA-N	474.458	3.660	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1OC	409245343	RFRPLUGQMBSGSL-SRZZPIQSSA-N	456.255	3.530	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1	2287295	LUSMCHMIDVFBGE-JFLMPSFJSA-N	480.362	3.856	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1C#N	8643738	WORLZVIANOJNFM-NSKAYECMSA-N	482.880	3.549	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1	9233190	FMCSNRXJHZRRDM-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1	9911125	ILMUCWVOFFSTOA-UHFFFAOYSA-N	492.384	3.889	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OC	12555277	RZTPNVOMFYDTTK-AWNIVKPZSA-N	478.242	3.552	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1	32576937	MIGHMXCMDWFUOI-CEUNXORHSA-N	472.589	3.542	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OS(=O)(=O)c1ccc(C)cc1	408750154	XTRJSAJURMVELN-MFKUBSTISA-N	468.531	3.852	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408776201	NFZYQYITROVBGM-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)o2)cc1	408921968	MQKQFWQVLXANBC-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1	409126107	GXFZRRNLISOYRI-OALUTQOASA-N	489.475	3.815	50	40	JHGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Br	409138097	ZWBHNXWOVGQBBP-OAQYLSRUSA-N	484.394	3.844	50	40	JHGB	
NC(=O)N/N=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1	409193665	KYMYEHCIHVLEPZ-IFRROFPPSA-N	452.283	3.840	50	40	JHGB	
O=C(COc1ccccc1Cl)NNC(=O)COc1ccc2ccccc2c1Br	2135266	XCZIVYQSQAQHNI-UHFFFAOYSA-N	463.715	3.861	50	40	JHGB	
CCCOc1ccc(/C(CCC/C(=N/NC(N)=O)c2ccc(OCCC)cc2)=N\NC(N)=O)cc1	8386269	ACHUXCOFDAWPFP-UNVYMFJTSA-N	482.585	3.880	50	40	JHGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1Br	20086285	FNUPNJWTSLZHCB-SFHVURJKSA-N	451.324	3.585	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OCC	20209082	SOARVVOIFSNDFZ-PCLIKHOPSA-N	473.595	3.690	50	40	JHGB	
COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	26743786	DVWYJSIXLWHGSU-ILBGXUMGSA-N	495.539	3.766	50	40	JHGB	
COc1ccccc1NCC(=O)NN/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21	33014822	HEZQVWDVTQDVHX-PXLXIMEGSA-N	470.529	3.573	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)n(Cc4ccccc4)c3S[C@@H]12	100921580	TZTCJMPXWLQKTC-ARRNJUNOSA-N	491.590	3.852	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1	408664951	QAWCLRBCWNFRGB-ZRNYENFQSA-N	489.355	3.905	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408778440	FZNJWLKVOSJPIS-XQNSMLJCSA-N	476.555	3.645	50	40	JHGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(=O)O	409047826	PPPQIZGQVUKJDQ-AWNIVKPZSA-N	480.214	3.736	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409175593	SOXITRLPSJUGMA-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)OC	409192464	CYHIVMIZNHSUJW-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)ccc1OC(C)=O	409221879	BMRRFNKCOINLAC-QFEZKATASA-N	477.429	3.512	50	40	JHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	811465	QNIPFKANCXOCLW-IGSPZPEDSA-N	470.117	3.510	50	40	JHGB	
O=C(N/N=C/c1ccncc1)c1nn(Cc2ccc(Br)cc2)cc1Br	1089274	STNYCQYCWMSPOD-ZVBGSRNCSA-N	463.133	3.615	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1	18191719	JCSQUHXAIHOCNA-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c(C)c1	20208107	DTXJMJSCSLSJCS-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408680837	HBUSEEVNUZZQLB-GQQAQRABSA-N	463.553	3.920	50	40	JHGB	
Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408680838	HBUSEEVNUZZQLB-HYSALRAMSA-N	463.553	3.920	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1	409025973	CHFIZUKWPYJVCZ-WYZSWBMLSA-N	497.573	3.801	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1	409175095	PUDWJQBFDOXEOO-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409185768	PUEODNBHJPHHGE-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])cc(I)c1O)c1ccccc1	409238106	CAZQVYUJWJOOAW-ODYDIQAQSA-N	463.231	3.689	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(I)c1OC	409375223	HJEOVUKHDJAOAU-NVNXTCNLSA-N	465.291	3.794	50	40	JHGB	
O=C(NNC(=O)c1ccccc1I)c1ccc(NC(=O)C2CCCCC2)cc1	674500	HENUMWSPNMFNOR-UHFFFAOYSA-N	491.329	3.885	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1	881345	GHVIEVXOOKWREB-LGMDPLHJSA-N	451.504	3.621	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)c(OC)c1	2221569	LNBOQIZILHCAIF-INIZCTEOSA-N	497.573	3.949	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1	9088285	UUPWDGQHMOEESI-VXKWHMMOSA-N	479.558	3.713	50	40	JHGB	
O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(CC(F)(F)[C@H](F)Cl)cc2)C1=O	9870515	SRELTXQTSCWCOR-UGSOOPFHSA-N	458.845	3.916	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	408725818	IGFZIPJDQNHRPJ-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(N(C)C)c([N+](=O)[O-])c1	408737270	MXOMHVCFZVPTED-HFLRGAGPSA-N	494.552	3.586	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	408756165	UKGSMARVMUGXJJ-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408812046	AZHZCENFVFIOHR-KFKMPVNJSA-N	451.328	3.850	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409111681	DMAWVYUHFWAYLG-WPWMEQJKSA-N	495.601	3.607	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1F	2309490	KECHZCQOLHDEOO-RTBURBONSA-N	457.458	3.915	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1O	3205011	YWNOXINBWAGAOF-YDZHTSKRSA-N	459.911	3.619	50	40	JHGB	
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NNC(=O)c1ccc(Br)cc1	3326894	XUCJCMZALAZQMQ-UHFFFAOYSA-N	494.301	3.875	50	40	JHGB	
C=CCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2cc(Br)ccc21	13550234	ZGYXFTJGWPZJLG-PGMHBOJBSA-N	479.128	3.584	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC	16227152	LPIDGIJZKIXLAE-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2cccc(OC)c2O)cc1)S(=O)(=O)c1ccccc1	19937041	LUQONEOLYVBMRB-KOEQRZSOSA-N	465.531	3.546	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1	19953121	VQKVTGZVVANSQT-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	27224880	MAXMYAHSMRPBOQ-NFBKMPQASA-N	475.549	3.756	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)c(C(=O)OCC)c1C	35107191	YLWXMJSMGXUXLK-OVCLIPMQSA-N	487.530	3.852	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408776038	LCSFVHJFMCLMQW-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(O)c1	409392443	PLLYFWWYSGTGML-ZMOGYAJESA-N	451.435	3.661	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c(Br)c1	1434066	YBBVYNGRNYQVAU-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
COc1cc(C2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc(OC)c1OC	1455668	OHRRADNLVYRIQB-QHCPKHFHSA-N	480.952	3.839	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	2781729	PLDUHJHYTCPVQD-RDJZCZTQSA-N	472.402	3.769	50	40	JHGB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	8927556	IXQRYBCQWCIIPA-HKUYNNGSSA-N	477.344	3.565	50	40	JHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21	11692109	MVXAYEHMGGRYRL-ATJXCDBQSA-N	490.560	3.834	50	40	JHGB	
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NNC(=O)COc4c(C)cccc4C)cc3C2=O)c1	14244755	GTAMALMCACXFSG-UHFFFAOYSA-N	471.513	3.561	50	40	JHGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	32705974	QXIQIJHMIFBFCL-OPVMPGTRSA-N	459.409	3.969	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	408970908	ALGWZQALYLIVGX-FOKLQQMPSA-N	475.295	3.910	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	409025712	ZJVVVERINWGUMQ-YZSQISJMSA-N	465.575	3.744	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccccc1	409138705	GVBJICGFAHVKOF-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c1	409236186	DTUQCMJJLREHEH-WYMPLXKRSA-N	451.552	3.530	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)c2)cc1	409253898	VVXNNSFIXAHNLS-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250402	ZUFJXXHTJDHFAX-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(=O)OC)cc4)CC(=O)N32)cc1	12275253	RTNZBEYJDUTBKU-CYFREDJKSA-N	450.516	3.515	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1	20348285	GMEGJAMRZFREAM-IBGZPJMESA-N	453.951	3.955	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1	58918215	BXFOWNUDZCZRMK-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	58925602	NRHDZLNEMPXRIB-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226393619	HURKDGJKHYMIHD-YIDOWPQCSA-N	463.553	3.631	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1Cl	408612955	XQXOSUVJUVASGJ-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408648784	KGFKIDCWMGFKRW-KBXCAEBGSA-N	478.860	3.519	50	40	JHGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Oc2ccccc2)cc1	408683870	MJPVCBGXXPTJCZ-YBZCJVABSA-N	486.318	3.532	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(Br)c2)c1	408745982	PTAYHJIYKPNLOS-DHDCSXOGSA-N	459.296	3.945	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1	408921979	NGIUHOOJYUYSJE-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1OC	409016845	WBVSNELAOMGHKW-YSMPRRRNSA-N	492.488	3.784	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409109395	CUOZBXNMQRTTQR-YZSQISJMSA-N	487.622	3.740	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F	409266626	KLVUGACZWODJEN-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)c2)cc1	409267398	ULDJEOHHVVVKSS-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1Cl	2135963	XUUVFWBDJRWNQR-UHFFFAOYSA-N	460.770	3.978	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O	9346245	OTNCJGJWTOHCBB-HMMYKYKNSA-N	460.534	3.862	50	40	JHGB	
O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	12506392	XSEGVWPCSFEZCC-UHFFFAOYSA-N	450.502	3.809	50	40	JHGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408863312	LTDJNANJFBUCHF-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(Br)cc2)S(C)(=O)=O)cc1	408923845	HGSKTOGNGVQUTA-QQHUYRGFSA-N	482.400	3.543	50	40	JHGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)COc3nc(C)cc(COC)c3C#N)c2c1	409006241	IGGDBJWJOUOYFF-MUXKCCDJSA-N	476.533	3.888	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C(C#N)[C@@H]1c1ccccc1	409129611	UWNCEXXHHYVIDW-RBUKOAKNSA-N	489.475	3.815	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])c1	9355227	GZBQBDOLLVGOGH-ZMOGYAJESA-N	478.417	3.560	50	40	JHGB	
O=C(Cc1csc(COc2ccc(F)cc2)n1)NNC(=O)c1ccccc1-n1cccc1	10887294	DNBCXWWLFBSNEG-UHFFFAOYSA-N	450.495	3.656	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1I	12039948	DRHQZWOMTYJFAS-ZRDIBKRKSA-N	472.282	3.927	50	40	JHGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	12137094	DDNHKIIGUMHMNW-UHFFFAOYSA-N	470.378	3.887	50	40	JHGB	
COC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1	13856783	VZXCMAVXNYAMOB-VQIMIIECSA-N	478.328	3.903	50	40	JHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58881317	HKUYGLFULKXOAR-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(I)c1OC	59419212	KYWKRWMLHFQQMK-KEBDBYFISA-N	458.683	3.655	50	40	JHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1	408730855	JMUAFIXHZDFGAX-UFFVCSGVSA-N	496.387	3.631	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)c1	408858996	VHLIDKNHEFRBLW-ATVHPVEESA-N	451.504	3.621	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Br)cc1	408970536	AZXDWVZFHQVMMA-NZYROCMPSA-N	460.372	3.818	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccc(Br)cc2)cc1	409011250	GRIPJUNLHCFODW-YDZHTSKRSA-N	490.379	3.692	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1OC	409117278	MTLMJFXNYFFFJO-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)Cc3ccccc3)nnc2-c2ccccc2)cc1	651107	MPDUNXVPGNTFPH-UHFFFAOYSA-N	457.559	3.725	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc(OC)c1OC	713544	DKUXYLZPWIBEEP-QFIPXVFZSA-N	476.489	3.925	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2nccnc12	2366461	BPVRKVIAPJQCAW-HTPDPPHASA-N	458.522	3.697	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1C#N	8617925	XCXSRHCYXGJTBX-KIBLKLHPSA-N	483.868	3.759	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8983986	UUUGKDLVYBHCQS-FQEVSTJZSA-N	478.421	3.944	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O	9075350	FMYJZIZFIYYXOL-LYBHJNIJSA-N	499.615	3.522	50	40	JHGB	
CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9109457	XVLQXVUFVFCMDB-NRFANRHFSA-N	464.543	3.860	50	40	JHGB	
CCCCOc1ccc(/C=C/C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OCC	9631130	AJIUKVQGQJFUQJ-WYMLVPIESA-N	450.539	3.554	50	40	JHGB	
Cc1cc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)ccc1Br	12923212	IYWZYNOEFSMRGK-UHFFFAOYSA-N	484.372	3.572	50	40	JHGB	
O=[N+]([O-])c1ccc(O)c(/C=N/CCSSCC/N=C/c2cc([N+](=O)[O-])ccc2O)c1	20840354	ILORXTICBAGNCW-AYKLPDECSA-N	450.498	3.834	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1	59515648	ZFJWYDOUIBDUKH-CGOBSMCZSA-N	459.083	3.573	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)C(C)C)cc1	408755926	SJONFJYLBWZQIU-VNSNFZHPSA-N	493.585	3.667	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408869187	POYFEJACLAGCPP-VGOFMYFVSA-N	493.257	3.569	50	40	JHGB	
COCCOc1ccc([C@@H]2C(C#N)=C(N3CCOCC3)Oc3oc4ccccc4c(=O)c32)cc1F	8768307	GXDDKIGZZXUYES-JOCHJYFZSA-N	478.476	3.549	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc(Cl)cc2)C1=O)=C\c1ccccc1	8820660	ROAOIPRZECWZHO-UJUKKVGJSA-N	471.991	3.949	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(Nc2ccccc2F)s1	9127947	VTZGQXXCKIHRSZ-UHFFFAOYSA-N	467.935	3.636	50	40	JHGB	
CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccco4)n12)CC[C@H](C)C3	13502550	PTKVPDJVGQUDOF-LBPRGKRZSA-N	484.607	3.734	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1	19956748	OKKQXNTWDLTCEY-BUVRLJJBSA-N	498.586	3.971	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	58915288	MWQMZJCKJJBSCE-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	71788218	QELUBUSZCPJCNC-IBGZPJMESA-N	458.467	3.917	50	40	JHGB	
CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)N[C@@H](C)CCc3ccccc3)cc2c1	199413182	UFHYADZMQMBRPL-SFHVURJKSA-N	464.566	3.635	50	40	JHGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1OC	408974083	WYOJLBYLSRTFRT-YZSQISJMSA-N	487.622	3.552	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	409072521	CLGJYBZDGDKQDL-XDJHFCHBSA-N	462.483	3.787	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953119768	YZDMQLSOYVPEIW-NZQKXSOJSA-N	455.671	3.791	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9905953	YYWBZMVXCIWFRQ-YDZHTSKRSA-N	451.395	3.853	50	40	JHGB	
CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c2cc(Br)ccc21	13584283	ULEODZDRXZBHRV-HIXSDJFHSA-N	489.326	3.712	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1cccc2ccccc12	15226247	YTZNWDICEBRZBE-LPYMAVHISA-N	460.353	3.519	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	19950689	SZXINMMIVCBJNZ-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl	19951710	BPDUJCVJLIUDLS-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)c(Cl)nc2c1	20212941	LANOSTDDNFDRKA-BHGWPJFGSA-N	495.388	3.775	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	33707595	RPSGSLMBYXKKJT-AFUMVMLFSA-N	465.462	3.964	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)c1	58924858	GEYIKHUYEHWDMI-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCc1ccccc1	59401549	HZVYPUSZWIQBSI-MTDXEUNCSA-N	459.546	3.870	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408906838	IYMBAJBFHDEJMK-SSDVNMTOSA-N	458.367	3.697	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1	409157231	PIJUKQBMAVLMOD-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(C)c1	409257958	VFOSFZSFEWIBPH-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1I	840390	DBSAHCPGUQNEMT-SECBINFHSA-N	479.101	3.827	50	40	JHGB	
COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3cc(Cl)ccc3OC)s2)c1	2645760	UWIBNPUASABAGX-UHFFFAOYSA-N	479.971	3.506	50	40	JHGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC	3081137	QTBUJNLQMNRKTI-KVSWJAHQSA-N	475.423	3.863	50	40	JHGB	
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C\c1cc(Br)ccc1O	6166636	PNEBLHSAXQQISV-OPVMPGTRSA-N	483.347	3.743	50	40	JHGB	
Cc1nnc(NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc1O	8724850	PFRXNPWFBWUICH-UHFFFAOYSA-N	451.284	3.620	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3\C(O)=Nc4c(C)cc(C)cc43)c2)cc1	9119640	RDGJQENQLLZFJS-UHFFFAOYSA-N	478.530	3.849	50	40	JHGB	
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1	22918695	DKIUSSLGPLOWIH-DTQAZKPQSA-N	498.627	3.634	50	40	JHGB	
COC(=O)N/N=C(\C)[C@H](CN1CCOCC1)[C@@H](c1ccccc1)c1cc2ccccc2oc1=O	31841752	PGQGAVVWIXPQMZ-BIVOXXHTSA-N	463.534	3.605	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc3c(c2)OCO3)C2CCCCC2)c(C)c1	107930521	KMYQFJJPHTXDRI-WGARJPEWSA-N	485.606	3.814	50	40	JHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)c1	108899082	WKGPGVFSRZHCCT-WGARJPEWSA-N	451.454	3.624	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408612671	WQNOJQVKTFSQCR-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408784220	ABIAWQMXCKMEPU-OVVQPSECSA-N	478.618	3.969	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1O	408865908	COUJOAOHLZQKLA-GZIVZEMBSA-N	483.333	3.912	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1O	409004849	FMIZQAPIHTUDMO-JFLMPSFJSA-N	499.564	3.580	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OC	409090956	RWLDSIBFLVENKW-GOSISDBHSA-N	492.269	3.645	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1C	409159661	RQOHONWWKHEDOA-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	3365366	ZTABDGXLRYKKTO-QKKBWIMNSA-N	466.925	3.870	50	40	JHGB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1	8819898	WMGJBHLKQKOACT-HKWRFOASSA-N	499.614	3.624	50	40	JHGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)[C@H]1COc2ccccc2O1	9046294	PNDDVDGPXBJINX-LXAYZEPESA-N	492.329	3.656	50	40	JHGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)COc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1	9493359	HWJQUGGVWYZDRO-IWIPYMOSSA-N	455.514	3.840	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	13129341	QBSGBFNEVJQGSZ-LICLKQGHSA-N	460.446	3.914	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)cc1	14166459	TURMAKOOKCXKGN-CVKSISIWSA-N	479.558	3.632	50	40	JHGB	
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1	18103406	FPGFLTUHEWTHFP-KRWDZBQOSA-N	453.568	3.538	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C(=O)O)nc3ccccc3c2=O)cc1	19861376	AHVRUEVMBNOZRL-WGARJPEWSA-N	472.526	3.635	50	40	JHGB	
CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccn3-c3cccc([N+](=O)[O-])c3)sc2c1	41074213	VPJNTRGRWUIMFV-GXDHUFHOSA-N	493.526	3.944	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1OC	105793406	UENZVCCUUMLTNG-BHGWPJFGSA-N	468.307	3.730	50	40	JHGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CN4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1	408751367	HTSUIYRWRPUFHF-PCDVSNHUSA-N	460.578	3.694	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1	408924979	PVJKRFQXSHVBJH-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1	409131401	IXYQZNXXVGAXTH-PCLIKHOPSA-N	467.547	3.601	50	40	JHGB	
Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)Nc1ccccc1	673912	FTHDBVCLRATJGL-UHFFFAOYSA-N	457.122	3.752	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1	9088286	UUPWDGQHMOEESI-YADHBBJMSA-N	479.558	3.713	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204625	GXKMYXBRGCJOKI-WSDLNYQXSA-N	480.156	3.925	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1	9329209	CWKXRYNUZRBAMG-AFUMVMLFSA-N	476.371	3.793	50	40	JHGB	
N#CC1=C(N)OC2=C([C@@H]1c1ccc(O)cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558222	OJRGJQLWJQUYRM-JOCHJYFZSA-N	457.511	3.919	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408615577	QVWFXECOMHZLBS-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OC	409330523	BABZLPGPXNVVAP-RMORIDSASA-N	453.278	3.794	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCN(C(=O)OCc3ccccc3)C[C@@H]2[C@H]1c1cccc(F)c1	1073781	MXZIZHHQLCBZAP-GMAHTHKFSA-N	453.477	3.888	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)cc3)nc3ccccc3c2=O)cc1	1478356	FERVYIOKPGZHQB-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OCC(=O)O	9323077	PCJUFCDAVGTRQY-LIMNOBDPSA-N	475.217	3.704	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc([N+](=O)[O-])cc4)CC(=O)N3C2)c(OC)c1	12250897	VVANGGZTWJXFIK-KRWDZBQOSA-N	452.492	3.831	50	40	JHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1	12633407	VDFKDGUPKOYQDY-IGQZGGFDSA-N	484.622	3.517	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	19949507	VFTJGCMAWJVDDW-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	19950219	DMDOVNUXRXSWEO-PCLIKHOPSA-N	470.982	3.752	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764906	IPLADDCAYAJYKW-ZMOGYAJESA-N	493.354	3.952	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)cc(Cl)c1OCc1ccc(Cl)cc1	408603724	GXFBABUOGIXVPH-LGJNPRDNSA-N	482.364	3.574	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408615925	UNWWEBOMLDTRIE-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1	409262499	FKRBYHNWBSJFPF-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cccnc1	859633	XPGPZEVYTUETDU-FBCYGCLPSA-N	491.965	3.898	50	40	JHGB	
C/C(=N/NC(=O)C[n+]1ccccc1)[C@@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C	5824147	QPEQWEAYMQPTFG-YSFCIFQBSA-O	480.677	3.952	50	40	JHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	13062873	NDPAPEYVBFYRFX-QZTJIDSGSA-N	488.544	3.854	50	40	JHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)cc1	252394502	ODDDSEGRTUEPNP-HKLHZYFVSA-N	477.978	3.731	50	40	JHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccc(Br)cc1	408904432	JIDUCQWQGIVBOY-IUXPMGMMSA-N	460.069	3.915	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408972959	IMLKMQRFEKOBLP-YPXUMCKCSA-N	492.517	3.842	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2ncnc(N)c12	408973246	KTNILZNDKZKIFA-YCPBAFNGSA-N	493.461	3.955	50	40	JHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Cl)cc1Cl)OCc1ccccc1	408991332	QEAGLAQSSUBKQH-RNCISBCKSA-N	460.321	3.704	50	40	JHGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(I)c(O)c3)c2c1	409020693	SCCINCJLOVBKSQ-SSDVNMTOSA-N	476.270	3.931	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(N)=O	409226617	VFPGLNDCPVYXKX-WUXMJOGZSA-N	464.703	3.521	50	40	JHGB	
Cc1cccc(NCC(=O)N/N=C/c2c(C)c(Br)c(O)c(Br)c2O)c1	1433647	MUOOQZJKBYTEGV-QPSGOUHRSA-N	471.149	3.802	50	40	JHGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1	20828283	PLUYKGFNAXECCU-UYUVZGDTSA-N	469.545	3.756	50	40	JHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1C	58915224	WZSAKFQFUNULDP-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1OC	408780588	FQJUVFDNDLPIBA-ZROIWOOFSA-N	477.302	3.920	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c(OC)c1	409120591	RAHHRXZITJCRSZ-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409259402	YXXDGOQOFYSXPZ-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1F	663606	WHKDFRGGPMEDSQ-NRFANRHFSA-N	476.533	3.998	50	40	JHGB	
CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N(C)CCCl)ccc2OC)sc(C)c1C	2696154	MRFWBYATIPAUHI-UHFFFAOYSA-N	489.015	3.662	50	40	JHGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1c2ccccc2cc2ccccc12	9913722	RDAHPAZOQFEOKU-PKEXHZLISA-N	460.497	3.669	50	40	JHGB	
O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1OCc1ccc(Cl)cc1	12906549	AQABRAKIIBHIHD-UHFFFAOYSA-N	472.328	3.763	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cc(C)cc(C)c2)cc1OC	19956388	KQHVSMWUNYWJQE-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1	58913610	KZNHZWVURVHDBK-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	59472879	CNQPSJOGNCLYNT-MFKUBSTISA-N	481.599	3.526	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O	408565776	AFFIUYGIBBOXOE-WSDLNYQXSA-N	466.319	3.996	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408756510	VWYUQXKLGKIHME-XSFVSMFZSA-N	473.489	3.955	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	408833905	WQDFPNVCDADUPT-MTDXEUNCSA-N	487.560	3.685	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1	409028996	WPWOTMLOQNFJNT-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1	409113956	JUXOHHIBOHQMAO-ZVHZXABRSA-N	458.971	3.907	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1Cl)Nc1ccccc1Cl	409168229	LRCDYTPHFSEJGY-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	409257858	QXGHMPUNEAGMTO-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OCC	409313322	PJNSHFLRVOJFIF-MSXFZWOLSA-N	462.886	3.539	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1O	1307049	NCMUFHMJOGNDNN-VULFUBBASA-N	474.542	3.651	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1	8895760	RRLPYFYQSWWJOJ-SSDVNMTOSA-N	490.383	3.504	50	40	JHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	9905826	FCTSVWKLDDHXMV-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2CCOCC2)cc1	14165705	SFTLMMTWQOZING-WPWMEQJKSA-N	474.517	3.770	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	19818078	MPDGZYJKIPIYQG-LQKURTRISA-N	457.530	3.561	50	40	JHGB	
COC(=O)[C@]12C(=O)[C@H]3[C@@H]4[C@H]([C@H]5[C@H]3[C@H]3[C@@H](Br)CC[C@H]3[C@H]51)[C@@H]2[C@H]1[C@@H](Br)CC[C@H]41	104287262	BOWBYLVCHPOQNM-CZRLJMDKSA-N	484.228	3.676	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409038207	OVBWOBIWXCRBKC-DTQAZKPQSA-N	457.486	3.647	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1C	409167033	GZTUVLBKENNSIO-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	1242952	DLBCKUIVYTWFND-SWKFRHMKSA-N	499.329	3.930	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN(CC)CC)c(=O)c32)cc1OCC	2250138	VVVHGAOFKUWMKF-DEOSSOPVSA-N	480.609	3.904	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC	16688384	IRFROQRCHXAWBO-CIAFOILYSA-N	497.289	3.690	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)cc2)cc1OC	20215128	YWXHDWVWSCAVGG-ZVHZXABRSA-N	487.603	3.728	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	28215607	ASJDRQCMPSAPAW-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1	408663721	ONDBRTALWVLFFV-SEXKYXSUSA-N	489.355	3.905	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1)S(C)(=O)=O	408868305	NWYZPKPJBPDRGK-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408910522	WZZCNKHRVPPVFA-USMPFQSLSA-N	488.544	3.512	50	40	JHGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)c(I)o1	408955432	XGIYVZQDHRPDDR-FMQZQXMHSA-N	483.487	3.829	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12)C(=O)NC[C@H]1CCCO1	409205608	RMBWVIQHNYTGBF-JDCXBEBJSA-N	468.557	3.823	50	40	JHGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cccc(Br)c1	1051524	RASRIYLXXTVKTA-GIJQJNRQSA-N	459.081	3.583	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O	2429688	QCSJONGYGNHKGC-HMMYKYKNSA-N	460.534	3.862	50	40	JHGB	
O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3117962	BWMHVUPQMKIEJX-CCVNUDIWSA-N	479.920	3.570	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1	3314082	XDRNUZWOBUDRPU-XDJHFCHBSA-N	493.541	3.522	50	40	JHGB	
O=C(N/N=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1	10022389	BRRFVXARPVNEIY-YZSQISJMSA-N	499.976	3.917	50	40	JHGB	
CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(F)cc1Cl	216837288	GRAORSAUYDZISQ-UHFFFAOYSA-N	464.662	3.665	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc12	408990198	NFQHGVHKUPAEHV-MDUPQVTGSA-N	485.544	3.949	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1	409023001	CGPOZFXHNMFFQE-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1	409027912	FZQHCWCROJBRBM-ZXVVBBHZSA-N	493.585	3.756	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)c1	409155186	CLWHNNUWLCJRDB-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1)c1ccccc1Br	1435224	MEMWLGCGOVPYMS-LHXREVONSA-N	481.302	3.958	50	40	JHGB	
C/C(CC(=O)NCC(C)C)=N\NC(=O)COc1cc(C)c(Br)cc1Br	8829966	BXGOGVRENCSPJA-CIAFOILYSA-N	477.197	3.553	50	40	JHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567606	AHNRISDCSQUWDN-MHZLTWQESA-N	451.530	3.709	50	40	JHGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1	59960112	UIYVWTQMAHTXRO-JEWIKEISSA-N	478.936	3.685	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	100394149	HURKDGJKHYMIHD-VFUWWIHJSA-N	463.553	3.631	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)O	408541134	DWZWDRZKLUJXRX-NSIKDUERSA-N	489.278	3.555	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(I)c2)cc1	408744013	JDIQOYQKJZSAOG-ZROIWOOFSA-N	492.269	3.699	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409114556	HIFQSDQYPQULCS-WGOQTCKBSA-N	453.539	3.729	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccccc1	409269403	IUYNYWOQRGXUOH-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	1054712	LKUHCNMKQPFRKN-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc(OC)c1OC	1084965	BPMMZZGZXOPXPK-JFLMPSFJSA-N	478.501	3.769	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	3307771	ODPIBGVSPGBFIO-FSJBWODESA-N	487.490	3.653	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1	6443496	OZNOSOYCWMTQDT-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccnc3)nnc2-c2ccccc2)cc1	9427499	LWVAOAGXLFLBPH-YZSQISJMSA-N	458.547	3.970	50	40	JHGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CSCc1nc2ccccc2s1	9466441	DYHXSUPGHBTSCT-GFCCVEGCSA-N	480.409	3.907	50	40	JHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	19926334	SCJHVDJPVRCRQW-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12	408673369	RPBWEPFONGOTNG-FPCVCCKLSA-N	494.183	3.700	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408914126	VMPRMFJIZFLMKV-JAMLUQCHSA-N	464.478	3.971	50	40	JHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Br)c1	408996315	CZKJYNQSIBCEDV-KEBDBYFISA-N	451.346	3.807	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C	409164822	OGXBMSPLXUVASZ-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1	409323632	OURXLTZJGIDZHX-GOSISDBHSA-N	486.391	3.846	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	2310371	IKAFJXVDIILFRV-RTWAWAEBSA-N	465.531	3.954	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)cc1[N+](=O)[O-]	8811089	OQFZBWGXKLXUPA-VULFUBBASA-N	494.504	3.960	50	40	JHGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1cccc(Cl)c1	12032359	VHHCITHYXCLBGY-LFIBNONCSA-N	463.943	3.532	50	40	JHGB	
CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)CCn2c3ccccc3c3ccccc32)c1	15985272	CTOPDRKAONZSSR-UHFFFAOYSA-O	470.578	3.924	50	40	JHGB	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	17399671	DUIJTWSMVSEUIE-QHCPKHFHSA-N	499.596	3.610	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C(/CNC(=O)c1ccccc1Br)c1ccccc1	18194613	JZENAZWLNPAHIT-QLYXXIJNSA-N	450.336	3.942	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(Br)cc1	35494313	AHKYZTUIFGFJJV-MTJSOVHGSA-N	450.130	3.916	50	40	JHGB	
COc1cc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br	408608161	VFMLYTHJHYEUKB-KRWDZBQOSA-N	493.383	3.803	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)OC)c(OC)c2)c1	408745097	JSXLJKRROYPISL-NVNXTCNLSA-N	489.322	3.954	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(=O)(=O)c1ccccc1	408777699	GGCUFZCXPVMRFE-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2Cl)cc1	8782096	OXBZBZQLQJNJRK-UHFFFAOYSA-N	473.938	3.560	50	40	JHGB	
Cc1nc(COc2ccc(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)no1	10124390	KYCUIHSVEVSGHW-UHFFFAOYSA-N	463.469	3.578	50	40	JHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	14922491	GMIXSGODPKBLGX-VULFUBBASA-N	466.881	3.594	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20059693	MZBBIGMNPYNMNY-XIEYBQDHSA-N	467.547	3.794	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1	59444591	IDWSTWDUWUEPHP-BUVRLJJBSA-N	486.391	3.790	50	40	JHGB	
COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	408655418	RTMDLQVECXUEGG-YWZLYKJASA-N	463.889	3.619	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408792988	CNAFZBUDDWWZHC-MHWRWJLKSA-N	487.306	3.723	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S(C)(=O)=O)c1	408880266	FUEIUNZHHACBOP-AFUMVMLFSA-N	488.997	3.672	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	408970460	IGMPLVILYPJJQP-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1OC	408972515	UTRCQYHMNOBAQC-WKULSOCRSA-N	496.995	3.882	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409263171	HWRCTGWQAWDGLY-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)NNC(=O)Cc1ccccc1	924771	DPWNUOUALHHZBC-UHFFFAOYSA-N	464.522	3.813	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1OC	1479416	YSVUVPMVJSGMIP-JFLMPSFJSA-N	488.573	3.897	50	40	JHGB	
Cc1sc2ncnc(S[C@H](C)C(=O)NNC(=O)COc3ccc(Br)cc3)c2c1C	2074587	GMUHVSHHTJCBKN-GFCCVEGCSA-N	495.424	3.778	50	40	JHGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2	3275474	ULTYGRQICCPWLW-XODNFHPESA-N	496.449	3.676	50	40	JHGB	
N#CC1=CN(Cc2ccccc2)C=C(/C=N/NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	9086820	OMDNDQZFKKLPMW-FOKLQQMPSA-N	457.899	3.710	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OC	12275314	ORSOZSWNMIROIY-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)C4CCCCC4)n12)CC[C@@H](C)C3	13499798	LYCKFXVFZZGLEJ-CYBMUJFWSA-N	486.667	3.846	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OCc1ccccc1	17643878	YLSMMAITGRACDJ-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cc(C)cc(C)c2)cc1OC	19956355	UNOHXHFDFNAQAG-JFLMPSFJSA-N	499.564	3.805	50	40	JHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)CSc3cccs3)cc2)cc1	29049011	YAWOKGVGAAGRFS-UHFFFAOYSA-N	491.616	3.501	50	40	JHGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21	46084807	FDVBBEWTQXCFSM-COOPMVRXSA-N	479.920	3.674	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)cc1OC	59401711	FUXFOSVXKLOMGT-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
O=C(COC(=O)CCCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1Cl	138825010	RKHRPRANINPOHH-UHFFFAOYSA-N	467.909	3.606	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc([N+](=O)[O-])c1O	408569550	ONWCJNYUAMGESW-SRZZPIQSSA-N	463.537	3.707	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1c(Cl)cccc1Cl	408607181	CIMTYZVOXXGPHP-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
N#C/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F	408819668	QZCVBHWQTRGNKY-YHYXMXQVSA-N	453.167	3.590	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)c1ccccc1	408979268	LXMNRIQZQFAJDX-YXUUZYBBSA-N	478.343	3.794	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc1	634264	WQNALPSIFCCBKQ-ZVHZXABRSA-N	454.552	3.813	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1)c1cccnc1	1435116	YYGGLIVEMVOYOX-FSJBWODESA-N	469.251	3.735	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2cccc(I)c2)c(Br)c1	1437551	OPHYCKYZZOVEPD-DJKKODMXSA-N	489.107	3.591	50	40	JHGB	
O=C(NNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1	5892155	WQOFKOQXKBPZJP-ZHZULCJRSA-N	479.880	3.872	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)Cc2ccccc2)cc1OC	12742619	BYESJYIZHLHIPQ-UHFFFAOYSA-N	456.502	3.560	50	40	JHGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c1	13897887	YUVMJBRVHYPKRM-SCDVKCJHSA-N	472.133	3.769	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20214020	ABANLCMADNKGHC-NLRVBDNBSA-N	479.558	3.960	50	40	JHGB	
O=C(N/N=C\c1ccc(Br)cc1)[C@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O	29763463	VNJCUTGLDCYNKJ-DHNPSKQRSA-N	478.346	3.872	50	40	JHGB	
CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)OC)N2C(=O)CCl)cc1OC	1083103524	MNTSIKKEFLCZBA-MBSDFSHPSA-N	456.926	3.830	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2C[C@@H](CI)[n+]3cccc4cccc2c43)cc1	710742	ZVUCOYWNZGRFEK-MRXNPFEDSA-N	465.336	3.621	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1	1772611	CFZNQICWOBZYAI-AFUMVMLFSA-N	489.513	3.545	50	40	JHGB	
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(NNC(=O)c3ccc(Cl)cc3Cl)S2)cc1	2389180	HJWYGYDKOKEUQF-INIZCTEOSA-N	481.361	3.653	50	40	JHGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	9970074	XRMOULFSUFSLRF-ZMOGYAJESA-N	460.483	3.799	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(Cl)c2C)cc1	20207048	JCJRFGOFSJTPHJ-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
COc1ccc(/C=N\NC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	31857545	BPIXBFINZJMHSJ-AFSAKMMISA-N	456.502	3.792	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN3C[C@H](c4ccccc4)CC3=O)o2)cc1	408978196	LCECCDKGPOUOCO-VJWWNUEDSA-N	459.502	3.590	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1C	409251445	PZZVLKWPPCFUPW-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)ccc1OC	409326403	KBXWHUVTWVGWMT-YUMHPJSZSA-N	477.517	3.884	50	40	JHGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(I)c1	1434317	QOCHSGOTPBIVRQ-DJKKODMXSA-N	489.107	3.591	50	40	JHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	2375044	AHFPXOAMIVAYBQ-OKYTWDAHSA-N	454.246	3.971	50	40	JHGB	
COC(=O)c1ccc(Oc2c(-c3ccc(OCC(=O)NN=C(C)C)cc3O)n[nH]c2C)cc1	16740615	JGDHRVRMRGOAIK-UHFFFAOYSA-N	452.467	3.560	50	40	JHGB	
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	17358485	JIKYEJYEDPLNTN-KSSFIOAISA-N	462.344	3.551	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20207803	OOKDOQGZNYPLSR-ZXVVBBHZSA-N	478.574	3.554	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	20760854	ZVAUONYJHYXYMW-SRZZPIQSSA-N	466.129	3.996	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(/N=C/N3CCOCC3)OC3=C2C(=O)CC(C)(C)C3)cc1OC	101107801	JRUSUBKMUKESOS-QYJQOTDOSA-N	451.523	3.556	50	40	JHGB	
CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408834029	UFRHENWDYNBMDP-STZFKDTASA-N	463.559	3.941	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1cccc(F)c1	408870789	WXSYOBBVKPJDAN-MKMNVTDBSA-N	450.251	3.812	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	409063761	MWRGSAFWTWRBQC-LGJNPRDNSA-N	499.976	3.718	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2N)nnc1-c1ccco1	409193650	KUMJEJOYSKGROH-ZMOGYAJESA-N	477.506	3.964	50	40	JHGB	
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21	2709973	RKEYAZIQQDKGRO-FQEVSTJZSA-N	479.334	3.589	50	40	JHGB	
Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)cc3)nc2s1	8603481	WKUBMDMZNLCGNK-MHWRWJLKSA-N	461.478	3.723	50	40	JHGB	
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	9630769	PGZLQSAZHUQJJD-UHFFFAOYSA-N	478.357	3.893	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)cc1	13804379	OIVITQZWCKKZPX-BHGWPJFGSA-N	482.957	3.505	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C	14019328	RITYBEABCVMDEB-WOJGMQOQSA-N	466.563	3.652	50	40	JHGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Br)cc1	19849514	COLPVFMOYARMMI-JLPGSUDCSA-N	463.807	3.761	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1	19948753	QXDPYDFTTGCHLZ-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCCC(CCC)=NNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	59443855	FZCSDJVRGNTGQE-UHFFFAOYSA-N	491.610	3.980	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	59922399	HAWKZGUGUVROGX-JFLMPSFJSA-N	493.516	3.746	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1	107957182	ZVLYDSFGOBJYCQ-FMCGGJTJSA-N	464.507	3.875	50	40	JHGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)c(Cl)c1	408615868	UAJMIUFALDXPQX-NSHDSACASA-N	471.138	3.570	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(I)c1OCC	408724802	CMXKDAFEJRSICJ-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408832592	RNNUUVJJZSVZPO-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(I)o1	408850132	GLJDGIQGQNHYBX-APSNUPSMSA-N	464.057	3.811	50	40	JHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3sc4ncnc(N)c4c3C)o2)c([N+](=O)[O-])c1	408973287	LGOZYEBXFIQZTQ-KTZMUZOWSA-N	452.452	3.523	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1C	844033	CXZOIDQMXPKXIM-DEOSSOPVSA-N	459.502	3.836	50	40	JHGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(Br)c1	1499870	RTOUFULGXCMTFW-QPSGOUHRSA-N	469.133	3.811	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2)c(OC)c1	1917746	BFNNXGOBWNRYMO-LFIBNONCSA-N	471.307	3.651	50	40	JHGB	
CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)cc1	8811083	ASNHRZOARSJGOL-JVWAILMASA-N	463.534	3.981	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1	58912594	PKQNVPIIJWPYDL-OGLMXYFKSA-N	493.995	3.555	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409019964	LCQKOQWCJIKXRU-NTFVMDSBSA-N	491.544	3.949	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)Nc1ccc(C)cc1	409256506	LQUKVRZXXVRKBQ-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)ccc1OC	409316481	YAUUTGGKJSLPPX-NHDPSOOVSA-N	484.290	3.567	50	40	JHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1	409329907	IQXNCIJPSZMOAV-UHFFFAOYSA-N	483.421	3.528	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cc2ccccc2cc1O	3081611	BEYVGDFSXQAVFA-MFKUBSTISA-N	491.481	3.985	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc(SCC(=O)N/N=C(\C)c2ccccc2)s1)c1ccccc1	4131888	NLLDKOYTVHXSON-DFEHQXHXSA-N	498.659	3.803	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1	24765807	USLJWKGBIHESKE-QFIPXVFZSA-N	455.967	3.819	50	40	JHGB	
CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)[nH]n1	71335744	LIVNZLJEXVIYEO-CNHKJKLMSA-N	491.127	3.544	50	40	JHGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311843	VILNIASAAXMZIX-ZIKHYHHZSA-N	480.839	3.564	50	40	JHGB	
COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc3c(c2)COC3)cc(OC)c1OC	409136189	UHDGGZXLETYDAU-UHFFFAOYSA-N	476.485	3.726	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409255969	MWNAMZFYVCRTGI-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1ccccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1	409327581	KYNGFAITHMTGLB-UHFFFAOYSA-N	490.629	3.959	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2OC)cc1	3165789	FWOWVAOMZJRIHU-XDJHFCHBSA-N	467.481	3.898	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	9396239	LKTCUHVZLZTTSW-GOSISDBHSA-N	496.612	3.815	50	40	JHGB	
CCc1ccc(-n2c(SCC(=O)NNC(=O)c3cccs3)nc3ccccc3c2=O)cc1	11199295	MTWRYCDOSMTXGK-UHFFFAOYSA-N	464.572	3.563	50	40	JHGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2)c(Br)c1	12289903	MCVMQCNWPAHMSK-UHFFFAOYSA-N	492.439	3.780	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccccc2)cc1	12496347	WSIFBPSSWQIYDD-UHFFFAOYSA-N	487.585	3.864	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926241	XQAVTFBGWAJCSY-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccccc1	408730566	ICOBFUMXHJZDOM-RGVLZGJSSA-N	459.329	3.637	50	40	JHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2ccccn2)o1)OCc1ccccc1	408991093	MRQXFQRJWDFXAU-CZMJTDGBSA-N	490.545	3.537	50	40	JHGB	
CCCCc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(F)cc4)c(=O)c(C#N)c3C)cc2c1	409061287	CMZSQWFHVPUNLE-MNDYBZJGSA-N	498.518	3.912	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1	409168611	MWPNPRUIDDILLM-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c1	409220851	GUFNOHRBVDRJSD-BRJLIKDPSA-N	465.579	3.838	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1C	409269614	KSGCFXISVSEVCC-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1	20493146	MOJNBNDLFOGFQR-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	23410590	IELCQNVPYSPSDG-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58881320	MQRLESRCRHCHNP-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(CNc1ccc2ccccc2c1)NN/C=C1/C=C(Br)C(O)=C(Br)C1=O	100478919	FLGYCSPPJQJZCH-LCYFTJDESA-N	493.155	3.782	50	40	JHGB	in-vitro
Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3cccc(Br)c3)C(=O)NC2=S)cc1C	408758799	RISXDWBXARFFHW-MXHVWWQHSA-N	497.374	3.519	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(C)c1	16267394	UJIBJUULSUSFPL-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
C/C(=N\NC(N)=O)[C@@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841642	UZPOAUYHYVBDIG-SUIGTHAVSA-N	462.550	3.777	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)c1	58915217	TYYNUMLMJAHIPX-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccccc3Cl)C(=O)c3ccccc32)cc1	102622873	CWPCWDSWQLQZFR-HFTWOUSFSA-N	479.945	3.841	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc(Br)c1O	104052524	LBHZZTNVIYSUSW-BHGWPJFGSA-N	468.307	3.817	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1	408662003	MSTJFJIVXZTXGI-JVSBHGNQSA-N	489.355	3.905	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)c1C#N	408735428	PUYGJXHUWVPEKR-CCVNUDIWSA-N	474.517	3.525	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1	408777479	AFBOGPCAWQLEIL-YZSQISJMSA-N	465.575	3.912	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1	408784169	TVNLECQGCCEMCM-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(C)C	408884512	URCDWCLRZXLWEX-LEEXQRRLSA-N	494.013	3.687	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC	408898571	XAMIMYDGGODRDZ-MDWZMJQESA-N	492.269	3.942	50	40	JHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1	409006872	RNGQUFSFJUARCX-ZXVVBBHZSA-N	477.586	3.817	50	40	JHGB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c(C)c1	409259419	ZBKKVVIMZSDLOS-CCVNUDIWSA-N	476.508	3.857	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409261472	CIJABDJGQQCMPV-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1OC	409366871	ZTAPEKHPOXATFM-NHDPSOOVSA-N	452.292	3.618	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3O)nnc2-c2ccccc2)cc1	1478234	PXJDUKNNTSDVRY-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)c(OC)c1	2197579	HJVMQHPFOZVHCJ-GOSISDBHSA-N	467.547	3.940	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O	2403029	AIMNZSSSZZTFBP-JQIJEIRASA-N	497.349	3.699	50	40	JHGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	3233862	JACAOFORWFNTAZ-LFIBNONCSA-N	450.276	3.795	50	40	JHGB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	3643915	IJXRIZMWBQFZIU-RHYRFBSLSA-N	472.545	3.986	50	40	JHGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1	9510084	LVJAICDFZOQTAI-LVZFUZTISA-N	467.485	3.980	50	40	JHGB	
Cc1cc2ncc(C(=O)NNC(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)c(C)n2n1	12525650	PEAGTZFKPZKDCK-UHFFFAOYSA-N	471.546	3.590	50	40	JHGB	
COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1I	12844057	LVDRFZPRTSWAEF-UFFVCSGVSA-N	452.292	3.754	50	40	JHGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	13116142	KEOGBXXGEBNTNT-FQEVSTJZSA-N	481.552	3.927	50	40	JHGB	
CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccc(OC)cc2)c2ccccc21	13756068	ULGVRSIJACEEPS-UROKKCKISA-N	493.608	3.773	50	40	JHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)c(C)c2)c(OC)c1	13897676	KDFXHBKTRXRQMX-ZVHZXABRSA-N	478.343	3.674	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1	20059936	ZNJKGFKLFJSMSP-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30843500	LTIXIIDVMUXHCU-WGARJPEWSA-N	477.473	3.969	50	40	JHGB	
CCc1ccc(/C(C)=N/NC(=O)COc2ccc(OC)cc2I)cc1	13477155	PUJDUSKPGYSFEN-FYJGNVAPSA-N	452.292	3.781	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20060080	APYIHCDGBLESOX-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)cc2)C1	100815459	LYMLIPMOFSVQMS-IQBMLBPBSA-N	450.564	3.833	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC	408721223	FGWDHHUPXZIVBF-QQXSKIMKSA-N	481.574	3.666	50	40	JHGB	
C#CCn1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c2ccccc21	408747942	VYQLQALUVRNGPQ-WSDLNYQXSA-N	457.271	3.652	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)cc1OC	408866632	HKBOPZRETXQKTC-XQNSMLJCSA-N	473.576	3.501	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C	409171500	CILBIPICEQSILC-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2O)nnc1-c1ccncc1	409195554	WJKDVHLJGLTRAY-AFUMVMLFSA-N	489.517	3.889	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	2162886	LHXMPQYBUCZQRV-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1OC	9187113	JFSNABFBYXHJMG-ATJXCDBQSA-N	458.518	3.578	50	40	JHGB	
COC(=O)[C@H]1CN(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c2ccccc2O1	11505379	FOTQGJLBOWRJBY-QYAMMSNYSA-N	493.560	3.568	50	40	JHGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5c(sc(=O)n5-c5ccccc5)[C@H](c5ccccc5O)[C@H]43)[C@H]12	245241344	ARUMZEVBQXCFRH-PZQWQPKYSA-N	477.563	3.793	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1I	408552790	VJEONFCICKSNAW-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)c2C)cc1	408589784	MWAMXSHYLFKGMX-ZMOGYAJESA-N	450.451	3.561	50	40	JHGB	
Cc1c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)ccc(Br)c1Cl	408688288	VWBFEYWUCLIXEM-ZVWUYCFWSA-N	463.553	3.920	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)c(OC)c1	408936680	IFKUBAKDDSFLDX-LGJNPRDNSA-N	484.940	3.862	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Cl)c1O	409179442	NPTXPAIATGQMFJ-ZVBGSRNCSA-N	473.698	3.611	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cccc1C	409264547	KVVYQQYKXZGSQA-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1CN	1083806401	UVEAUDRUWOAZRO-LEWJYISDSA-N	454.687	3.900	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(F)c1	3116223	CFIWMTZKQQPBIQ-XODNFHPESA-N	483.883	3.587	50	40	JHGB	
CCCOc1c(Cl)cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1OC	12771493	HHILPWDQKRRBBX-UHFFFAOYSA-N	472.929	3.503	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Br)c(OC)c1	27563614	YHVXEOOYENVPFJ-LFIBNONCSA-N	471.307	3.651	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1OC	408814735	ZOWGCSXEWMBKCT-LFVJCYFKSA-N	499.567	3.665	50	40	JHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	409165993	BWPKDIYQVLURCN-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc(OC)c1OC	409263055	KCAPQFHYHQSLCO-YDZHTSKRSA-N	478.343	3.734	50	40	JHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1cccnc1	708296	WWOCEMCGZTYYKD-FSJBWODESA-N	471.254	3.669	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1OC	840052	YZBGTFFYAMTDIM-KOEQRZSOSA-N	467.547	3.683	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C)cc3[N+](=O)[O-])o2)cc1	2280257	SWGWMIVVLVNURM-ZMOGYAJESA-N	451.435	3.869	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1	9075702	BUEPLBGROHDBIH-YPFRYUKGSA-N	487.560	3.561	50	40	JHGB	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	10215752	KSVFXFXFBMAHEZ-UHFFFAOYSA-N	481.936	3.509	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	15134868	TUYHHNUVZAZEHN-AFUMVMLFSA-N	463.446	3.660	50	40	JHGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1C	98086339	YVRXOLXUMONFHZ-CJLVFECKSA-N	470.573	3.968	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2OCC(C)C)c1C#N	408605247	XUGQGYLPUMAHTF-KIBLKLHPSA-N	489.370	3.735	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCc1c(Cl)cccc1Cl	408608908	QIMSHZXJQRHNET-LGJNPRDNSA-N	482.364	3.574	50	40	JHGB	
C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccc(OCc2ccccc2)cc1	408682868	KCCWAUAIHQNUIM-OLFCWBLASA-N	499.357	3.951	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OCC	408747874	VCDBWYMRGJNDDT-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(Cl)c2)cc1	408777353	ZAHZSJILYJNSAQ-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)Cc2cccc(C)c2)cc1	409122358	YMCKYHYWVYWMCR-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1Cl	409234699	XIUHHYJVBCYWCE-MLPAPPSSSA-N	464.703	3.792	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	32099509	QESMRXTZTVJVKB-XNTDXEJSSA-N	487.497	3.573	50	40	JHGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCC(=O)O	33473398	WHLDGGNLQMGEAQ-SDQBBNPISA-N	453.207	3.966	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1	33525750	MPAGPEOGCJBDEX-JBASAIQMSA-N	486.616	3.951	50	40	JHGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	58985781	YFJDEPMJISKYLJ-LPYMAVHISA-N	484.803	3.654	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(F)c2)cc1	409117848	OUXHXDQYCXEUIA-YZSQISJMSA-N	453.539	3.518	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	409183402	BYEKVBTZGCOTEI-WGOQTCKBSA-N	482.949	3.588	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(OCC)c1	958031	DBQGCNDRLKBBJR-PZSRYKBRSA-N	490.512	3.782	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2cccnc12	2801359	LSJWHEKZWPZNDQ-CAUYNWHBSA-N	452.308	3.927	50	40	JHGB	
CC(C)Oc1c(Br)cc(Br)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N	16575568	KRHXVAUNSXGCEQ-LFYBBSHMSA-N	495.175	3.706	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	20208550	VZNJXPQEDCCMSE-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1OCC	20213475	SGOGVHKMJFDUKJ-OVVQPSECSA-N	496.589	3.615	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	20240444	SLTPCMQXZXTOGY-VUTHCHCSSA-N	470.573	3.694	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1)NCCc1ccccc1	28213548	DEAFDOKSOBZRCX-OGLMXYFKSA-N	461.587	3.808	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl	59959778	VNDZGZHEYWLIRC-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408915263	YVTNGZZIVUZNHB-UDIPQKBFSA-N	450.451	3.662	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1cccc(Cl)c1Cl	2178190	FEYVTHPGQJMIAE-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1	4283630	DJUIFTMWWPFSJL-UHFFFAOYSA-N	465.550	3.501	50	40	JHGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	8843164	AVUJUZOVASWCRQ-RUZDIDTESA-N	456.527	3.547	50	40	JHGB	
CCCOc1c(Cl)cc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1OC	9284684	QMXUVHVMUIHRIR-UHFFFAOYSA-N	477.764	3.523	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)c1ccc(-n2ccnc2)cc1	9403827	JPDJXGOMXABMNP-TURZUDJPSA-N	462.517	3.728	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1	16284775	FYHYCEKYLIJQTM-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408689154	XRVGQUYWRAXPMP-YBISVOHQSA-N	476.150	3.634	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccccc1O	409134313	ORWUAGXMVDYUAL-XIEYBQDHSA-N	451.548	3.821	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1c(C)cccc1C	409161897	ZYTJNQDHZDQFCV-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)n1	409227981	YOZPKADQCXBOLK-WYMPLXKRSA-N	450.520	3.613	50	40	JHGB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	3294136	PNWAMFPCJHHIFL-UHFFFAOYSA-N	492.384	3.889	50	40	JHGB	
C/C(=N/NC(=O)C(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1	8398547	CNRZUUQZMURPGP-ZCJKAFFOSA-N	480.160	3.592	50	40	JHGB	
C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)Cc1ccc(Br)cc1	9442670	ZXKUKMLUZQIYBA-INIZCTEOSA-N	481.346	3.838	50	40	JHGB	
N#CC(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)=C1Nc2ccccc2N1	9583121	WTFNSWLDWDMZKO-UHFFFAOYSA-N	482.427	3.625	50	40	JHGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)NC(N)=O)cc3)n2)c(C)c1	13659552	SFXCKDKZZMKSIV-PTNGSMBKSA-N	453.549	3.761	50	40	JHGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1	13759316	JGTPNTDRMAPAPH-GHRIWEEISA-N	456.458	3.620	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)N/N=C\c1c[nH]c2ccccc12	29763279	DWIBABBXSRBGGR-HDRPGTAISA-N	486.450	3.701	50	40	JHGB	
O=C(COCC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1	31717349	ZMAULOBMOIYUOK-YLSUZJBISA-N	476.147	3.917	50	40	JHGB	
O=C(N[C@H](C(=O)N/N=C\c1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33388010	HXTQGFHDPALTHP-DGBIYHDASA-N	494.338	3.851	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	58881165	ZRVBSCUPVXBYJJ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(=O)(=O)c1ccccc1	59472880	IILPICBDBKPGQZ-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C	408589908	NKSMDICDYZXBBV-FSJBWODESA-N	451.439	3.991	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OCc1ccc(Br)cc1	408607508	DKCRPGHJLFCIGL-JFLMPSFJSA-N	496.361	3.803	50	40	JHGB	
Cc1cc(C)cc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c3ccccc3)cc2)c1	408648237	WIICDIOLBXDMBR-UHFFFAOYSA-N	489.528	3.819	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Br	408758032	FWJMTFLFILBERW-GIJQJNRQSA-N	459.081	3.826	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(O)(c1ccccc1)c1ccccc1	408892390	ZDCZEZRSIZAZFO-VFCFBJKWSA-N	486.549	3.841	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	408922713	GEANISAVDMLEKT-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1	409027833	TUKWDKCRNHOAKT-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2C)c1	409267112	SLKFCXYQUWPEMM-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	409268375	SPEWBKFRDSFCJZ-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CN(c1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1	409340559	ZGRHNSVQFDYXEW-UHFFFAOYSA-N	476.602	3.894	50	40	JHGB	
CCCC[C@H](Cl)[C@@H]1C(Cl)=C2C(=C[C@@H]1[C@H](O)C(=O)[C@H](O)CCC)[C@@](C)(C(=O)O)C[C@@H]2C(=O)O	1772592070	YVFJLAAPXXXIMK-UDNLMDHVSA-N	491.408	3.736	50	40	JHGB	
CC(=O)Nc1ccc(/C=C2/SC(=S)N(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1	8665146	OAZXGSCIYVSZHH-UWUHDUAQSA-N	483.596	3.994	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1OC	38144641	GGKXPNLNHSSFDX-HXUWFJFHSA-N	492.557	3.696	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)CSn3nnnc3-c3ccccc3)o2)ccc([N+](=O)[O-])c1C	408732843	UCQVNHLTELNMQM-FSJBWODESA-N	477.506	3.772	50	40	JHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408733067	VONALQWLBWLTOC-ZMFRSBBQSA-N	473.514	3.998	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1	408939163	MYCBSHTZFGKSAZ-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409027037	SHMYOAQPFBPCGH-WNIQNGNASA-N	495.557	3.570	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1	409160389	WSMPBHBCLSSAKH-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1	9281585	QRYQLVOLJDMMMT-CAPFRKAQSA-N	460.534	3.887	50	40	JHGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1	14244795	OXJPKSMCGMPDEV-QGZVFWFLSA-N	469.563	3.966	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)c1O	16712197	PSMBTAPLQBLULH-LGJNPRDNSA-N	494.964	3.939	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	20060545	QHOLKSOTWJPMPE-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2c1	23077506	YJZGAJNSXYCQBA-UHFFFAOYSA-N	473.558	3.578	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1	408784932	WUSCXMWYPAWZIJ-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2cccc(C)c2C)cc1	409026046	DOIASSDSFNZLSD-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409152432	BBPOCJXWPLTMIV-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1OCC(=O)Nc1ccc(C)cc1	409237462	IUQNFLWVJHEIAB-LGJNPRDNSA-N	493.589	3.670	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1	409258577	YDCQBVGQLVIKMJ-KKMKTNMSSA-N	486.862	3.725	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	409265252	ROWDJMZMXDMOQX-LQKURTRISA-N	492.507	3.721	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953109581	ZZWSOJHWMKIKJE-YADHBBJMSA-N	469.654	3.883	50	40	JHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3285453	OFRJTIHLCUTAPW-LPYMAVHISA-N	458.883	3.813	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)cc1	9632025	UWNJRZCQCWEJJL-UHFFFAOYSA-N	474.542	3.763	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	10059322	VDXBYFTXPHGANC-WSDLNYQXSA-N	452.379	3.773	50	40	JHGB	
Cn1/c(=N/NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2ccccc21	12524302	SLHYKEXPJQYSMX-LCUIJRPUSA-N	478.599	3.627	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	20232442	DDLFQOOSKRBBNA-NLRVBDNBSA-N	463.559	3.982	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	22637216	LWDIXUHHYJGBDX-NMVQVFOTSA-N	457.490	3.582	50	40	JHGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	408689152	XRVGQUYWRAXPMP-VGODUVCRSA-N	476.150	3.634	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408780022	QCRAVPCVHLSXLI-WGOQTCKBSA-N	479.558	3.574	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(OC)c(OC)c1	1477877	XDJLPWQGUXLBGG-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
O=C(NNC(=O)c1cccs1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1	2643332	UKEVEBWNLHVDSV-UHFFFAOYSA-N	476.388	3.992	50	40	JHGB	
C[C@@H](NC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2	9850676	SLBGXGYQDICITC-KWJFTMPMSA-N	476.415	3.711	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1O	13895789	ZLSQKPDKCQNPLI-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
COc1cccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC	19852036	YJOSXKUNONZXJW-LADGPHEKSA-N	495.539	3.766	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)cc1Cl	19951784	USHCWONRLAJMBY-PCLIKHOPSA-N	487.965	3.790	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C	408588347	JAVNNYWIHPFJCI-YDZHTSKRSA-N	451.439	3.612	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)=O)c(OC)c2)c1	408763791	QVLXXPITRVNKGQ-VGOFMYFVSA-N	492.269	3.779	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409164637	LIPKPHUFSDWQQO-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409164991	QRRXMCPPSITTEL-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1	409217704	ADZJUCPQHGHJKB-MYKKPKGFSA-N	467.821	3.960	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409253200	AQLSTFGUJGWRAS-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1	409269944	MKNMFIWDIGVFLO-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OC	408723767	KVSDKRCQEMJHHA-MFKUBSTISA-N	469.335	3.853	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409113766	IRBHWSPWAQDTAV-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
C[C@H](Sc1ccccn1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	1099842	HWHLCOYTSLJLLG-VFKKPVCESA-N	459.163	3.943	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)nnc1-c1ccc(C)cc1	1300083	HOPFNAVDYBTSOC-ZMOGYAJESA-N	469.567	3.542	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(C)(=O)=O	2176241	LWZDSKKIWYOQMA-JFLMPSFJSA-N	496.633	3.944	50	40	JHGB	
CCn1cc(C(=O)N/N=C/c2ccccc2O)c(=O)c2cc(F)c(N/N=C/c3ccccc3O)cc21	6878566	RLNXEJGSUZQRMB-JOFLXYQRSA-N	487.491	3.782	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)c2ccccc12	9260563	UGECVJWNCGPWCE-NRDUTDNZSA-N	461.518	3.872	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(SCC(N)=O)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC	9329086	WUUKEDLBCJVMFY-LJQANCHMSA-N	457.552	3.836	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC2CCCCC2)c(C)n1-c1ccccc1F	12546753	RVFZEQNEBUPCCG-CPNJWEJPSA-N	466.513	3.842	50	40	JHGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	19949704	QPOOUCCWYNIVOH-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	59334327	HBMORCHEOLSIGR-CHHVJCJISA-N	460.284	3.940	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(OC)c(OC)c(OC)c1	408605849	NFUXCCMGNGPIBT-NRFANRHFSA-N	492.557	3.798	50	40	JHGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O	409222744	DXUILLPDZNWSPC-GXWRHTCTSA-N	476.401	3.591	50	40	JHGB	
O=C(Cn1nc2ccccc2n1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	994088	SQDLHEMOXRKYHA-ZMOGYAJESA-N	464.323	3.923	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1	3305487	JULARYYWSIQNGM-UHFFFAOYSA-N	450.838	3.627	50	40	JHGB	
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1	18103405	FPGFLTUHEWTHFP-QGZVFWFLSA-N	453.568	3.538	50	40	JHGB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)c2ccncc2)cc1	20288782	RYJQRYGFKINEIR-QNGOZBTKSA-N	484.541	3.659	50	40	JHGB	
CCOC(=O)/C(C#N)=C(O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(NC(C)=O)cc1	31772124	AXGLAAUTYJNZDN-DAEVNUGZSA-N	453.882	3.968	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)CC1	58912591	MCVXISFGQAQKIH-RDRPBHBLSA-N	487.604	3.518	50	40	JHGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc(OC)c1OC	59383821	JMFRNZAUAKVTGX-YDZHTSKRSA-N	478.343	3.734	50	40	JHGB	
N#C/C(=C1/Nc2ccccc2S1)c1nc(C#N)c(C#N)nc1N1CCN(c2ccccc2)CC1	101156947	LMTXULPNYWKZON-XIEYBQDHSA-N	462.542	3.957	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(Cl)c2)cc1	409111226	BMPFWAYOEVGUBW-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1	409175308	ZXVGMBHKYQTMBN-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	8812897	IVJRYSOTZZRHPB-AUEPDCJTSA-N	499.745	3.826	50	40	JHGB	
N#CC(C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)=C1Nc2ccccc2N1	9716314	FAOISVOMEWNJMC-UHFFFAOYSA-N	480.480	3.601	50	40	JHGB	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccc(Br)cc1	11852305	BHEQROBLGSPIKU-FOKLQQMPSA-N	471.384	3.921	50	40	JHGB	
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(Sc3nc4ccccc4s3)nc12	13304559	KIFNOQSJEKQPIB-DHRITJCHSA-N	472.555	3.923	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)o2)cc1	14186117	QIEYELIPBDTLQX-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
O=C(N/N=C/c1ccc(F)cc1)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1	14922220	HLXKZEGHTCSHLV-MDOZEHBYSA-N	485.559	3.948	50	40	JHGB	
COc1cc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Br	408608165	VFMLYTHJHYEUKB-QGZVFWFLSA-N	493.383	3.803	50	40	JHGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	408664040	IULCPYGIJHPVHE-KKLQWCBXSA-N	480.561	3.922	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(O)(c1ccccc1)c1ccccc1	408747928	VUXYGIOVFPTVDF-QQXSKIMKSA-N	457.442	3.947	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(=O)(=O)c1ccccc1	408773239	UITGUUBFFIOCBC-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)c1	409161569	VVBQCUVSXBIEOQ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1	2650697	HIHWYXUDTFDWDQ-UHFFFAOYSA-N	465.485	3.766	50	40	JHGB	
O=C(O)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1	3282830	KEDWAILBLHSLOR-YDZHTSKRSA-N	457.895	3.603	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccc(Cl)cc1	8820464	RVLDFOWYXFGFIY-DFBITEFZSA-N	471.991	3.949	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	8997787	FWHKQUWIOGLMHQ-SWNXQHNESA-N	463.071	3.899	50	40	JHGB	
CC(C)(CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCc2ccccc2C1	13880346	LFWKDBNKCCHBOP-UHFFFAOYSA-N	461.484	3.858	50	40	JHGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	13982071	JHGNWLYOGRUUJA-UHFFFAOYSA-N	450.292	3.968	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1)S(=O)(=O)c1ccccc1	19937036	BBPCYJAGVMJVRM-NLRVBDNBSA-N	479.558	3.849	50	40	JHGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	19950926	QQBOQHQEUGLPID-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cccn2-c2ccc(C(=O)O)cc2)ccc1I	30902182	HSFJFENUEFOCLZ-UUYOSTAYSA-N	489.269	3.553	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	58919275	UVMVGNIBYFZBOT-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccc([N+](=O)[O-])cc1	408534751	WSIWNVXAGCGKND-YBEGLDIGSA-N	472.299	3.515	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408608066	VAQYGAXLOLTOPI-IBGZPJMESA-N	464.503	3.681	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)ccc1I	408952640	MATYSTBHWMQSAV-UCQKPKSFSA-N	488.329	3.920	50	40	JHGB	
CCCOc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cccc1OC	408973143	ZFSHIXBVUBZLSF-WTFDWONZSA-N	469.582	3.852	50	40	JHGB	
CN(c1ccccc1C(=O)NN=C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1	409333275	RPUPSXQKRHNPQA-UHFFFAOYSA-N	476.602	3.894	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cc(OC)ccc1OC	409336142	MLNWNDUPCSXKHJ-PSXBWXLBSA-N	466.534	3.884	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2cccnc2)cc1	1479550	BKIMBTXBVQJBJF-AFUMVMLFSA-N	462.535	3.872	50	40	JHGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O	2395331	HSUXNJLQMHJDSC-GXDHUFHOSA-N	473.316	3.772	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2)c2ccc(C)cc2)cc1	19956525	MLLCBBKHSRKLNR-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
CCOC(=O)C1=C(O)NC(SCC(=O)C2CC2)=C(C#N)[C@H]1c1ccc(Br)cc1	20129893	QFDZGZOUISFIQJ-MRXNPFEDSA-N	463.353	3.916	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccccc1	409138702	GVBJICGFAHVKOF-PMACEKPBSA-N	469.950	3.758	50	40	JHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409152079	DIDXOQMPJAEOFN-KVSWJAHQSA-N	498.889	3.743	50	40	JHGB	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1C	9544882	YCKMJSVYHRMGFO-UHFFFAOYSA-N	457.939	3.832	50	40	JHGB	
CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1	9883348	JLNFBDOXRXHJRT-MHLWUJJFSA-N	455.599	3.594	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	15227582	KRYMXAXYHWSBMM-RTMGKINMSA-N	492.557	3.686	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	19949916	HVOITZRMEQNBGC-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408684767	NZDHVPDYIQKWQO-UPGMHYFXSA-N	473.298	3.588	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccc(F)cc2)cc1	409069125	LLYVEGUZWCZLKQ-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1	409169373	PURUQHIKOPNLPC-OGLMXYFKSA-N	472.545	3.918	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)sc2ncnc(N)c12	409331902	DVTOOVVHIDNWEN-IPBDZQFASA-N	485.161	3.576	50	40	JHGB	
COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1Cc1ccco1	915800	YYPKAHBAFRTPMK-UHFFFAOYSA-N	497.964	3.802	50	40	JHGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CCC2	1422441	UHPZHYORPDNPFR-QHCPKHFHSA-N	476.334	3.564	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	3024028	FLUTZBNGHBXNBU-ZMOGYAJESA-N	478.417	3.560	50	40	JHGB	
O=C(N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	3203157	KGCWPXFOUKVRHE-JAMLUQCHSA-N	450.882	3.740	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc([N+](=O)[O-])cc4)CC(=O)N3C2)c(OC)c1	12250896	VVANGGZTWJXFIK-QGZVFWFLSA-N	452.492	3.831	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC	20197966	KEIXXTGRBWHKTK-OEAKJJBVSA-N	492.313	3.865	50	40	JHGB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2)cc1	20288728	GDWUMKHTMJWSDK-QJOMJCCJSA-N	456.502	3.663	50	40	JHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1CN1CCSCC1	22532352	QJJCPVDWMOQYCI-PDGQHHTCSA-N	451.548	3.561	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(OCc2ccccc2)cc1	100522704	LVDHDRPSCLIFHH-RDRPBHBLSA-N	474.517	3.734	50	40	JHGB	
O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H]2C[C@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O	102066630	WKVHFFTUPXLELD-NURVWSNCSA-N	451.542	3.772	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2C)cc1	408786422	JUOFRUQWKKCDMM-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	408789270	IFIMKWHPIWHEHH-OVCLIPMQSA-N	459.296	3.864	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408812055	AZHZCENFVFIOHR-NKRIVTLJSA-N	451.328	3.850	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O)c(I)c1	408905251	VYAODZPZJBCURW-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1C	409183324	BHMVYXLUCWPEJR-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
CCOc1c(I)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1OC	409384525	CQSSVZBOXOSOED-NVNXTCNLSA-N	465.291	3.794	50	40	JHGB	
C/C(=C(\C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCN(c2ccccc2)CC1	2346414	UUMXSKZCMZHFIQ-XDJHFCHBSA-N	489.523	3.731	50	40	JHGB	
O=C(COC(=O)c1ccccc1Oc1ccccc1)NNC(=O)c1ccccc1Br	9665314	UOMPAUWQUGXYSL-UHFFFAOYSA-N	469.291	3.859	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	16137072	JATUAYIZPMUNJQ-XQNSMLJCSA-N	452.492	3.574	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19926366	XMDVGCLBNFROKU-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	20100788	MOKMKZKSNFORJF-MFKUBSTISA-N	463.446	3.742	50	40	JHGB	
CC1(C)[C@]2(C(=O)N3CCOCC3)CC[C@@]1(C(Br)Br)[C@@H]2Br	169802359	MGCRERZVHHMPKR-QCZZGDTMSA-N	474.031	3.531	50	40	JHGB	
COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1	408727611	QZHMVXBIQVZMNG-SHHOIMCASA-N	463.559	3.991	50	40	JHGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	408785120	YQSNFRFDVVIFMY-WSDLNYQXSA-N	452.319	3.932	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1	408924301	MQPFROKZWGSBBW-SAPNQHFASA-N	478.482	3.707	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C#N	409067557	YWUGONZIPHNSKI-KKMKTNMSSA-N	465.941	3.998	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1	409262836	KDAFNIIIUDTIHZ-BWHPKIFCSA-N	461.493	3.917	50	40	JHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)n1	8856286	MBTPUDMUPNOCRL-GOSISDBHSA-N	459.491	3.712	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	12250311	QCWCBKAOARDECI-VXKWHMMOSA-N	477.586	3.976	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccccc1	19926370	DQKNAAZQIBJZQM-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)ccc1Cl	58914287	LUNQKFCCHQNPQI-WKIKZPBSSA-N	458.349	3.953	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc12	408991313	QDKWZTAPCHSWLE-RZRSPBPRSA-N	471.517	3.559	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1C	409248955	GCYXZTUZMXQXMQ-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC(C)(C)[Si](OC[C@@H]1CCCN1CCCOCCC(=O)O)(c1ccccc1)c1ccccc1	1857794698	HKMCHJVOJGSGIV-QHCPKHFHSA-N	469.698	3.909	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1F	2309488	KECHZCQOLHDEOO-RBUKOAKNSA-N	457.458	3.915	50	40	JHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1	16693918	OSJRUHSLKMFBON-JCMHNJIXSA-N	472.526	3.775	50	40	JHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccc(C)cc2)cc1	19956682	FIJLFVFTYHSNRF-BUVRLJJBSA-N	469.588	3.768	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC#N	59333051	QOVHWFZUZBAEBK-AQTBWJFISA-N	481.350	3.616	50	40	JHGB	
COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OS(=O)(=O)c1cc(C)ccc1C	97991737	HFKPQQBXBRPKIX-DICXZTSXSA-N	481.574	3.950	50	40	JHGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Cl)cc2)c(OC)cc1Cl	101542701	CWERZKXWDAKCDI-WYMPLXKRSA-N	454.310	3.910	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408614262	AJBVGGOWQQXNRE-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2C)cc1	408768085	SULOUMBDIYNUIT-VULFUBBASA-N	479.558	3.686	50	40	JHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1I	408869827	RRWNULMMEGYALE-CXUHLZMHSA-N	492.313	3.930	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1C	409163252	OHPAKVYQIOMTHG-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409271025	SRWARMZOYVJDAG-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1	409332960	TWLRAEGMGWJPAC-UHFFFAOYSA-N	494.592	3.789	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)n2-c2ccc(OC)cc2)cc1	917752	LVIFXBNALUCAES-UHFFFAOYSA-N	489.557	3.505	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1	2354034	OQOOZOKLYLYRCU-KRWDZBQOSA-N	467.547	3.940	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	9962931	CWNOTWHRGODWRZ-BUHFOSPRSA-N	485.949	3.836	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(=O)OC)cc4)CC(=O)N32)cc1	12275254	RTNZBEYJDUTBKU-YADARESESA-N	450.516	3.515	50	40	JHGB	
CN(CC(=O)N/N=C/c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1	16187104	FQWPDKISBRYYMN-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	19949699	RYMPJPYYDZZIEZ-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CC(=O)c1cnc2sc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)c(C)c2c1	23187831	YGSURPARHQTQIM-GFCCVEGCSA-N	476.352	3.798	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)S(C)(=O)=O	58915283	UQGYGRBJNQLPKA-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	100774422	HXBCXXIMAVRSRY-NTYVSSCFSA-N	479.595	3.896	50	40	JHGB	biogenic
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1	408605071	KMFQBQBBMZASFU-NRFANRHFSA-N	491.573	3.986	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408852229	DXMPOHOSFWRHHD-GATIEOLUSA-N	469.881	3.673	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1	408977954	GGOWCEVQTOKFDS-VAHWYXDJSA-N	451.548	3.564	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1	409006925	SPSMIKIDHQOONM-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccc(OC)cc3)cccc2[N+](=O)[O-])cc1	409225655	QQGUAJQXYNVBOK-SKOGZAMYSA-N	475.457	3.995	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br	3068167	WRUHORCVVIATIU-UFWORHAWSA-N	487.104	3.658	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(OC(F)F)cc3)c2)cc1	6142983	GAJNAGYDQSIPRJ-AFUMVMLFSA-N	475.473	3.861	50	40	JHGB	
CCOC(=O)[C@@H]1[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	12859456	BSWWHGFDLXIWBC-JZMSSEPWSA-N	481.858	3.873	50	40	JHGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CO/N=C/c3ccccc3)c3ccccc32)C1	13893652	LDQRMPQDMSHNNL-MYAMMNQPSA-N	487.604	3.762	50	40	JHGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	15134001	BNYFVGDRMYXIFW-HUXSYLCKSA-N	450.336	3.941	50	40	JHGB	
COc1ccc(/C=N\NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)cc1	33332145	WQNALPSIFCCBKQ-OYKKKHCWSA-N	454.552	3.813	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2c(F)cccc2Cl)Cc2ccccc2)cc1	58885486	RWRLBJVALYSLLK-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
C/C(=N/NC(N)=O)[C@H](CN1CCCCC1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104296085	UZPOAUYHYVBDIG-HHXGPNHISA-N	462.550	3.777	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408910527	WZZCNKHRVPPVFA-WVWWYIFQSA-N	488.544	3.512	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	2749934	QXIQIJHMIFBFCL-PGGKNCGUSA-N	459.409	3.969	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1	9444165	CIINDYQSCRIIBE-ZVHZXABRSA-N	478.603	3.765	50	40	JHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)ccc1OC	12275137	ITHUCAZKNFSZQM-SSOJOUAXSA-N	482.558	3.754	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1O	19949250	JRWONRYYTSSJCL-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
CCCOc1ccc([C@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	27224887	MAXMYAHSMRPBOQ-REWPJTCUSA-N	475.549	3.756	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408542214	JXZPOLKSKYHTSJ-NVNXTCNLSA-N	455.264	3.714	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1	408808127	DSZQGSHOBXZWLH-NSIKDUERSA-N	479.714	3.798	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1F	408892659	DICKHPCNGWYANN-VGOFMYFVSA-N	466.250	3.800	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OCC)cc2)cc1	408906573	HRIMWQKFNSBJTO-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408926641	VLYGDZRYWWSLDW-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	4209642	HPBULDUZVJGLFA-MZJWZYIUSA-N	487.339	3.931	50	40	JHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1Cn1cccn1	12275848	MHRVCUYMGJYBBR-LVXARBLLSA-N	472.570	3.892	50	40	JHGB	
C/C=C/C=C/C(=O)NNC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1	12982650	ZYBPBHZTJMSPCE-DSXPNFDZSA-N	461.490	3.912	50	40	JHGB	
COC(=O)c1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19852402	QFGBLJUIGBHRAS-BJKOFHAPSA-N	493.523	3.535	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	59435877	KCZMGURYGZRRRF-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
Nc1ccc(C(=O)N/N=C\c2ccc(N(CCBr)CCBr)cc2)cc1	104052755	JRITUUNWUSLMOC-XKZIYDEJSA-N	468.193	3.629	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408543138	PKFWAMKNBURLSX-NVNXTCNLSA-N	473.279	3.635	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC	408607681	NPPCRMLVAOZFEV-MUFRIFMGSA-N	495.963	3.745	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)Nc1ccccc1	408666708	RNXPFXONXBNLSH-SEXKYXSUSA-N	475.328	3.596	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC	409007855	ZUYITAGKJCDTHI-WGOQTCKBSA-N	455.942	3.916	50	40	JHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)CCCc3ccc(OC)cc3)o2)c1	409163846	YPPKEXSJVGMKRF-STBIYBPSSA-N	491.544	3.721	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc2c(c1)OCO2	2312629	GTKFAGYILQKZRA-HNNXBMFYSA-N	486.347	3.888	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NNC(=O)c1ccc(F)cc1	2644422	AGHRQYFAJIUWEX-UHFFFAOYSA-N	485.928	3.932	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(OC)c1OC	3202289	CVXAZJWAIWEPKT-LSHDLFTRSA-N	451.317	3.621	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1	20986581	LAVIAURONAXRFB-DHRITJCHSA-N	465.579	3.920	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2C(=O)O)C2CCCCC2)c(C)c1	35155082	VHTCFXCNOVMZIT-YSMPRRRNSA-N	485.606	3.784	50	40	JHGB	
C=CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	39986460	VAWJLVKKJZMOAW-BWAHOGKJSA-N	455.580	3.725	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)n(-c4ccccc4)c3S[C@@H]12	100872047	ARUMZEVBQXCFRH-ODWAURGVSA-N	477.563	3.793	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408753193	FCORSZMGXCUUAJ-QADUPLGGSA-N	458.628	3.685	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	409004187	BADJJDYVANPREU-JVWAILMASA-N	483.565	3.874	50	40	JHGB	
Cc1c(Br)cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1Br	409360187	DAXVKUMEZQKYSF-FBHDLOMBSA-N	468.145	3.984	50	40	JHGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12	9065340	WVJQTMDJTRUZPB-LWZVXOGXSA-N	467.529	3.931	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1	20210686	VEDABNWGUZECCN-WPWMEQJKSA-N	495.601	3.889	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(F)cc1	408658874	JDBOEUSNNUEJEM-YRXWBPOGSA-N	493.318	3.735	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1	1304773	WIQXRGCQBQBUGX-BOPFTXTBSA-N	459.980	3.701	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)c(OC)c2OC)nnc1-c1ccc(C)cc1	9763008	HOPFNAVDYBTSOC-CFRMEGHHSA-N	469.567	3.542	50	40	JHGB	
CN(C)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	39940425	WFQJPXNQHRKPTQ-XYGWBWBKSA-N	452.352	3.901	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	58913848	ZDWQZJFTNAOWDI-FSJBWODESA-N	484.310	3.854	50	40	JHGB	
COc1cc(C(=S)N2CCOCC2)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1	408753252	NDNMLAKDORXFEP-GZTJUZNOSA-N	487.375	3.978	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	408779056	PZTBUERPFODODH-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOc1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc(OCC)c1OCC	3276337	AUKYDCDPUXXQDW-UHFFFAOYSA-N	451.479	3.881	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1	12276068	JDVHMQUIHKWVMH-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926233	OHUSLVZGSNDRCN-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	35227620	ZZMLXHKTULMEEN-UYRXBGFRSA-N	498.605	3.838	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1	38177447	NOAVAASESKPVJU-FOKLQQMPSA-N	483.824	3.878	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)cc1	59922098	WYXZMFWSBGDTJJ-AFUMVMLFSA-N	453.486	3.565	50	40	JHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1	104850380	RZJZKOLEPNPZRB-XLNRJJMWSA-N	462.506	3.536	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1nc2ccccc2[nH]1	107705449	QFOOMMRRPRXAFR-WJDWOHSUSA-N	467.323	3.627	50	40	JHGB	
C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1)c1ccccc1	408688314	VYOYBMIEPQMAQL-HUHCECTASA-N	483.362	3.687	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)cc1	408738363	VZSAELGVDNYELV-QGMBQPNBSA-N	459.081	3.832	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1	408856006	IISVWTMKJFPHOL-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1	409163032	KXDSGFSZNKRLPG-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(I)cc2)c1	10118563	XSNUCQUSIFWKCY-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1	12489985	OPEIGINPFAYYAA-AWEZNQCLSA-N	456.593	3.586	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567654	VUCZYLFCSNTWJQ-NDEPHWFRSA-N	466.516	3.901	50	40	JHGB	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc(NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc1	16185861	LXTBFSMZVZUETA-XAMWDVODSA-N	476.716	3.744	50	40	JHGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	20573165	LOABJOHZCNHVQJ-WZONZLPQSA-N	472.545	3.545	50	40	JHGB	
CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1C	102245368	LSWOQTFHIMTYOR-BUVRLJJBSA-N	488.591	3.825	50	40	JHGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]	408773330	PRHVFIQETPRWDR-WJDWOHSUSA-N	471.311	3.622	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3CC)S(C)(=O)=O)o2)cc1	408865261	CKLABHADIVGHGS-WGOQTCKBSA-N	497.573	3.602	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1	408947071	AEBCQIVECKCATJ-HZHRSRAPSA-N	469.475	3.525	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc2cc(Br)ccc2oc1=O	649802	OVJSAMXJPXSQEG-UHFFFAOYSA-N	486.105	3.702	50	40	JHGB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1	8927580	ZNVSCMBLNTWGLU-MJGOQNOKSA-N	477.344	3.565	50	40	JHGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	9790196	SHKDYHNFQHZOST-UHFFFAOYSA-N	482.949	3.626	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1C#N	15018564	PKIAOIBISVIJPN-XODNFHPESA-N	459.550	3.962	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1Cn1nc(C)c([N+](=O)[O-])c1C	15229249	INVDNQLHMPKFAZ-OAQYLSRUSA-N	499.483	3.790	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19949349	NEXCMOTYLQLLDX-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OC	408767992	BBTZAVRRNSWSEU-GHXNOFRVSA-N	452.223	3.993	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)cc1C	408790885	RTMFZSPNKPWPQT-OVCLIPMQSA-N	476.270	3.917	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12	408859857	ZZMYKYUYYNYWOO-XAOCGEIJSA-N	471.966	3.805	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1	409151020	FXVOHVMHCPUFRP-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)NNC(=O)c1ccc(Cl)cc1	8750060	OOOHTDIKHRUHDQ-UHFFFAOYSA-N	456.955	3.718	50	40	JHGB	
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1	18054468	XWYDMZRRVLKYIW-KRWDZBQOSA-N	474.492	3.916	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	58926080	LPNNWNFOAXXNAT-DHRITJCHSA-N	485.949	3.799	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Br)cc1	59247098	FJSIWSULEYMFFO-MYYYXRDXSA-N	472.383	3.539	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C(\c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccccc1Cl	104291186	BZPAJRJMTBCQFV-HUWXKKFSSA-N	491.891	3.694	50	40	JHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1OC	408972407	BNPUTQMCPBTEOU-HCGXMYGOSA-N	464.345	3.516	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(I)c1OC	409090958	RWLDSIBFLVENKW-SFHVURJKSA-N	492.269	3.645	50	40	JHGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	409132057	OIWOYLFPHONAJP-BRJLIKDPSA-N	496.416	3.615	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(F)cc2)cc1OC	409136821	VTTCMZSTSYQCIY-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1	2176060	SGUDSLFOMTZBJG-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1CSc1ccccc1	2371753	LOICJOCZQZXXBH-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
COc1cc(/C(C)=N/NC(=O)CSc2nncn2C)ccc1OCc1ccccc1Cl	8830081	CNIYJNAEYBKMAJ-ZVHZXABRSA-N	459.959	3.689	50	40	JHGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)CC2=O)cc1	9633265	UZWFUJYZVLAADU-LJQANCHMSA-N	495.539	3.510	50	40	JHGB	
CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	13074820	MDUZTBQBSQSSLJ-UHFFFAOYSA-N	496.545	3.813	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)cc1	20198043	BKFPZDHIQGSSAM-FSJBWODESA-N	479.327	3.864	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	33661644	ZIBLVQNECWCATD-OYKKKHCWSA-N	464.434	3.783	50	40	JHGB	
Cc1c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)ccc(Br)c1Cl	408688284	VWBFEYWUCLIXEM-OBQFZGNZSA-N	463.553	3.920	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccccc1	408772044	MRFRTXUPPVMSGV-YZSQISJMSA-N	479.558	3.520	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(I)c2)cc1	408791878	DQQMFYRXYKEIBN-NTEUORMPSA-N	462.243	3.719	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cccc(Cl)c2)cc1	409184183	JJNBIAXMXUPBMI-CVKSISIWSA-N	499.976	3.765	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC	409382204	MAHOEZRFYYUXFI-VGOFMYFVSA-N	451.264	3.759	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)nnc1-c1ccc(Cl)cc1	1473850	UCMSSLJJBYYSCT-YDZHTSKRSA-N	459.959	3.965	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1cccs1	8384255	XOVJQDNDFCNVBH-UFFVCSGVSA-N	453.895	3.727	50	40	JHGB	
O=C1[C@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	8426213	JAFJTLMZCVSLGT-BCFCROPCSA-N	467.079	3.988	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(OC)cc3OC)cc2)c(OC)c1	12563928	UTFXWSXWQWURTM-JQMRRPHZSA-N	462.506	3.931	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O	20059939	KUZALLXQFDCBGH-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)NC1CCCCC1	28215538	CIAKDLUCBAHFMZ-ZMOGYAJESA-N	458.902	3.840	50	40	JHGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCc1ccccc1	59960533	DNDVZKZUXKSOEK-NTFVMDSBSA-N	478.936	3.514	50	40	JHGB	
BrC[C@@]12O[C@H]3CC[C@@H]4[C@H]3[C@@H]1[C@@H]1[C@@H]3[C@@H]2[C@H]2CC[C@@H]5O[C@@](CBr)([C@@H]3[C@H]52)[C@H]41	104294931	DXXPAKJRQFPFNI-TWAXSKOFSA-N	456.218	3.855	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	408778486	VCRKFOOYDFGQSK-ZXVVBBHZSA-N	494.617	3.887	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1	408798897	JHFFTEVEZKQVNU-CJLVFECKSA-N	455.514	3.979	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409261161	BLHFSLJFRUKZFL-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
CCCCCCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc21	1784108	LTDYHFBPSSMQNU-MEFGMAGPSA-N	465.579	3.522	50	40	JHGB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1	8927584	ZNVSCMBLNTWGLU-IEBWSBKVSA-N	477.344	3.565	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(O)c(OCC)c4)CC(=O)N32)cc1	12275247	QWWLVYUSIMTMDQ-MHECFPHRSA-N	452.532	3.833	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	20059275	DRQWJRNHTNZOPV-KOEQRZSOSA-N	451.548	3.815	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)c(Cl)nc2c1	20209172	IWRSTSJCSHVYMT-DHRITJCHSA-N	488.997	3.937	50	40	JHGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1	20828287	PLUYKGFNAXECCU-ODELGXGCSA-N	469.545	3.756	50	40	JHGB	
COc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1Br	31723501	MSYZQQIRQSOMSS-QWHWCFICSA-N	484.148	3.896	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(O)cc3)n2-c2ccccc2)cc1OC	31870566	RDZLWHRMJSZOIR-YSMPRRRNSA-N	489.557	3.900	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(I)c1O	216043620	GOXFIBVGUBKWHT-NHDPSOOVSA-N	452.292	3.705	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cc(C)ccc2C)cc1	408780705	IPEZWEZWEMSYMN-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1O	408784242	UXPXKGVJPMIMKM-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408796356	OWRBVXANKXJPNU-NTEUORMPSA-N	474.254	3.563	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	408837862	PCBXVCRYPOSTAZ-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	409028642	OXFQSDXCJIJTRA-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1	409152848	KFBZWHQAONXYRX-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1	1478426	AXJKFZMCJUGJSC-ZMOGYAJESA-N	451.939	3.620	50	40	JHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NN(C)c2ccccc2)C(C)C)cc1	3190322	PPWBUTNETWTAPX-DEOSSOPVSA-N	474.561	3.870	50	40	JHGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1	13811028	STBOPYCXZSRNKY-HFQYIWAZSA-N	485.327	3.996	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1	13957631	LRSYYCNLQJFIIC-SANMLTNESA-N	482.540	3.881	50	40	JHGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)[nH]1)c1ccc2ccccc2n1	30955037	JSWQUTUHBOUWFA-DPCVLPDWSA-N	461.485	3.639	50	40	JHGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H](Br)[C@@H]3Br	100751841	JAFJTLMZCVSLGT-KISRQWFGSA-N	467.079	3.988	50	40	JHGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O	195509089	BJZZQJFYKQPUGO-BZSNNMDCSA-N	469.618	3.749	50	40	JHGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-]	408641224	CAJOGPGPPPTDPG-KXBFYZLASA-N	462.861	3.819	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1	408775950	KUCZEVIDKVTTPD-YZSQISJMSA-N	465.575	3.912	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Cl)cc1	409065548	TWQQUZHGNFSUAJ-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	409255248	LBLGUZHKAWNYJQ-WPWMEQJKSA-N	474.517	3.582	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN(CC)CC)c(=O)c32)cc1OCC	2250139	VVVHGAOFKUWMKF-XMMPIXPASA-N	480.609	3.904	50	40	JHGB	
O=C(NNc1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	9381830	PWRRIDINGIZGOS-UHFFFAOYSA-N	482.562	3.939	50	40	JHGB	
O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1	9585083	ZMFWJKVUUWFYJB-UHFFFAOYSA-N	499.595	3.910	50	40	JHGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1	20171760	NWGRFJNIXRXEPL-HXUWFJFHSA-N	464.971	3.912	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2cccnc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	107957199	MNMCQPLXVYEHEO-DICXZTSXSA-N	464.591	3.656	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	408607498	DJBWFMMRLLFNSO-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1ccc(OC2CSC2)cc1	408725898	JFAVKAUJTANISC-YSMPRRRNSA-N	495.626	3.911	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	408934963	DVIBUPRDRZOYJO-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(N)=O)cc1	408956079	VWCKTVBTJXQMSP-HMAPJEAMSA-N	451.530	3.940	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	409026450	PKEVLUCDIYOQIY-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1	409337479	UIINXYAKXYQFDQ-CNPYVQQSSA-N	462.300	3.505	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	3146612	CKHIZCRLAYDASF-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	19950282	CECDTNBHPMFGCF-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100394151	HURKDGJKHYMIHD-WXIKRZJOSA-N	463.553	3.631	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1	408838608	YDUHDUSIMFNWQQ-VULFUBBASA-N	499.589	3.666	50	40	JHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	408995359	BSADWLMDRQWNBZ-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)c2)c1	409152247	JVJNAZMWLPHTRT-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409370082	KRZRXUDQDGMNCK-XSFVSMFZSA-N	491.548	3.988	50	40	JHGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	3115578	CIUSGRMBGPDCCY-UVHMKAGCSA-N	498.308	3.688	50	40	JHGB	
Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl	8427618	SQJUDMFEWOTQTO-UHFFFAOYSA-N	457.657	3.715	50	40	JHGB	
O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1cccnc1	9090351	OSBMYPMQIAMEEI-LGMDPLHJSA-N	452.392	3.563	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	23410657	JJKKEBVLLMTFGK-YZSQISJMSA-N	465.575	3.735	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(NS(=O)(=O)c2cccs2)cc1	25336718	SOBYZNHHOBOHGY-KEBDBYFISA-N	480.911	3.580	50	40	JHGB	
Cc1nc(CC(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cs1	33029062	NDKHXLIJEPNQAB-UHFFFAOYSA-N	499.401	3.563	50	40	JHGB	
N#C/C(=C/c1ccc(-c2ccc(-n3cnnn3)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	96306191	BMVJJHWRIWJWSS-PTNGSMBKSA-N	485.529	3.507	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408791144	UUHKZVZYOJMHPR-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccc(Cl)c(Cl)c1	409163993	AZHZKGMTMZTFKQ-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	877813	XGISQOCXIZESJY-DEOSSOPVSA-N	475.501	3.536	50	40	JHGB	
CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	892238	CCWVJCYIHNLQNY-UHFFFAOYSA-N	479.393	3.770	50	40	JHGB	
O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)NN=C(c1ccccc1)c1ccccc1	9223360	AMJLYVZWVGUGMZ-UHFFFAOYSA-N	455.514	3.535	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	9980967	MHTRGMKPBKJNNU-SFTDATJTSA-N	497.960	3.652	50	40	JHGB	
CCn1nc(C(=O)NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c2ccccc2c1=O	13011791	HWHSZBCBOWCAKF-UHFFFAOYSA-N	461.547	3.738	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c(Br)c2Br)cc1	13940152	BMTWLRARUNCEMF-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O	19950101	VHRUPSITKWFQPL-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S(C)(=O)=O)c1	58853800	PCHFLPQIOPIRQR-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OS(=O)(=O)c1ccccc1	408889565	FHSVNJBXPGKQQH-NBVRZTHBSA-N	478.482	3.707	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)cc1OC	409321509	GVAFWHPCNSBTLC-UUYOSTAYSA-N	498.317	3.957	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	935330	RHBXVOBDDBAZEJ-XUMLYMLNSA-N	460.328	3.760	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1	3196004	CWPBRMMRXOLNRP-VYIQYICTSA-N	499.409	3.701	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	58925232	YSLZTVFKIXOUGU-MTDXEUNCSA-N	496.564	3.828	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2O)c(C(=O)OCC)c1C	107943433	PKMFSLAASYNIDW-XNTDXEJSSA-N	457.504	3.843	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1	408783029	JJLGZYZFRYQYGL-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1	408923114	FLQMNEBZGUVQHV-UBYGEMSKSA-N	465.575	3.879	50	40	JHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	409114776	LCSVHDCNHVXFQY-NEOOYVHHSA-N	451.548	3.914	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1	409168534	MFYALGYADCTABD-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1	409258669	YPOIMDNNOGKWGF-MYYYXRDXSA-N	462.462	3.775	50	40	JHGB	
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NNC(=N)COc1ccc(F)cc1	1387906	ZRJUYPFCEMAMFW-UHFFFAOYSA-N	463.296	3.993	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	2648313	KSJVNSQDZXTZBJ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1C	3378091	RIPUHNQFZAAHBK-VCHYOVAHSA-N	455.511	3.630	50	40	JHGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	12701173	CXFPIYXXRBJOGI-UHFFFAOYSA-N	491.548	3.717	50	40	JHGB	
Nc1ccccc1C(=O)N/N=C(/C/C(=N/NC(=O)c1ccccc1N)C(F)(F)F)c1ccccc1	13476944	VFNMUZSHZLFQCX-LONJPSTNSA-N	482.466	3.724	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	28497825	WCZWFISMEDBFHU-SFQUDFHCSA-N	463.319	3.758	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1	58915480	NVGCYCZCRICJEL-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=C1CCCC1	59444640	RAUVNSZWDFQAHV-UHFFFAOYSA-N	478.412	3.729	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	59444704	XVMDVXCJVFQXHN-WPWMEQJKSA-N	459.502	3.928	50	40	JHGB	
COCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1	59474766	NSHWOOAGFNUBNG-BHGWPJFGSA-N	492.538	3.938	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC#N)cc2Br)cc1	408794170	HTYAKLZRYYFCBX-OQLLNIDSSA-N	470.279	3.692	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccco1	409009964	ARCNEPQOSHFJHC-ZVHZXABRSA-N	480.373	3.970	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	409020515	QDCLNWUBDUZODK-WPWMEQJKSA-N	481.549	3.732	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1	409128258	DJMNWRNEDYTXBO-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c(=O)c1C#N	409202782	UUTZFAFVCZUGLD-IPBVOBEMSA-N	472.423	3.604	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1	409264621	QIRZWTQUMYNINL-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OCCc4ccccc4)c(OC)c3)cnc2s1	1784449	HQDILFLFSWEGEM-RWPZCVJISA-N	490.585	3.801	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1-c1ccccc1Cl	2445966	JLEFSLPKQYBMSI-LIMNOBDPSA-N	477.699	3.624	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC	3660939	NZOJTPNETYETMQ-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8896269	DMERSPWLMYWCRX-XZOQPEGZSA-N	480.484	3.657	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1OC	19951547	FAAIPIDAIQIZAS-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	20259259	UVCITWDLCJKIDQ-GAISBVLPSA-N	490.535	3.957	50	40	JHGB	
CN1c2ccccc2C2=C([C@@H](c3ccc(F)c(Br)c3)C(C#N)=C(N)O2)S1(=O)=O	20558335	GIGPKWZUXZFDPT-INIZCTEOSA-N	462.300	3.544	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58881375	AGCJVSSXBLQLMW-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Oc2ccccc2)cc1	138985592	MJPVCBGXXPTJCZ-JXYJOFSCSA-N	486.318	3.532	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408612664	WOZHCZMBGRJZQP-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409117875	RKOBDPYXNBIVQY-WPWMEQJKSA-N	495.601	3.744	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1c(C)cccc1C	409267796	PBDWIQKDEKDEIQ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nc(C)c(Br)c1C	1107278	YFHVMLTUAGOUIA-GOSISDBHSA-N	469.343	3.569	50	40	JHGB	
N#CC1=C(SCSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)NC(=O)C[C@@H]1c1ccco1	2310806	HDUDREHUDDPVCN-STQMWFEESA-N	452.517	3.674	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	9507354	HFPHFQLPPHMOQQ-UHFFFAOYSA-N	498.630	3.758	50	40	JHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3F)C3=C2C(=O)CCC3)c2ccccc21	13567685	UKEAEPMWCFNUHO-AREMUKBSSA-N	458.468	3.956	50	40	JHGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)OCCO1	16185345	OKHIGCYEPVFRJH-ZMOGYAJESA-N	458.312	3.503	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)c(Cl)nc2c1	20212528	MXTWNHMJGTYJCA-BHGWPJFGSA-N	495.388	3.775	50	40	JHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)c1	33649214	JLTIAMHSPQASNW-WGARJPEWSA-N	451.454	3.624	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(=O)n2nc(C)sc2n1	41108875	QYJUXNJOTZAIDV-LICLKQGHSA-N	473.514	3.593	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(C)c(Cl)c2)cc1	408786008	DQDLCRRDQAWBOJ-UHFFFAOYSA-N	496.976	3.625	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O	408892870	KLBUTATVJIQSRX-WYMPLXKRSA-N	494.404	3.712	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	408921927	LSLSDLFGFVYZRC-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409041822	JZCJQUACZKNWQM-NTCAYCPXSA-N	457.486	3.647	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1OCC	409047208	NSWHCEDCZWAIIE-KEBDBYFISA-N	452.261	3.624	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409196120	XCJOGZVRQKCAGD-DHDCSXOGSA-N	465.344	3.755	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)c1O	8780700	FXQZQFWEMHXIQZ-LSFURLLWSA-N	463.719	3.825	50	40	JHGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2	9115246	MNACJILOQWKRJX-RASXSYQRSA-N	467.481	3.932	50	40	JHGB	
CN(CC(=O)N/N=C\c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	16187221	JZGCSQCUMZFNTM-FMCGGJTJSA-N	450.347	3.917	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1cccc(Cl)c1	20209480	HJMUCGBZBAQKTA-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)CC1	20240574	YPAJCCBGQWZSLL-ZTKZIYFRSA-N	471.605	3.847	50	40	JHGB	
CCn1c(SCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(C)cc1	30742629	QNIOQDGAALTHRY-CFRMEGHHSA-N	469.567	3.542	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)S(C)(=O)=O)c1	58915478	BHEMUTUXTXUXRU-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCC(N)=O	409266897	YYMOSACOLAZDCD-MWLSYYOVSA-N	491.544	3.691	50	40	JHGB	
COC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O	9075358	UVDFJZJBBBAVPJ-CJLVFECKSA-N	450.498	3.981	50	40	JHGB	
COC(=O)c1ccccc1/C=N/NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	16194284	IODQDMIBBOBNGD-TURZUDJPSA-N	456.546	3.559	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1	28617709	KFFDQXLWYKYMEJ-MXAYSNPKSA-N	466.365	3.753	50	40	JHGB	
O=C(COC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Br)cc1	408648232	WHFLNWGJGSCXDQ-UHFFFAOYSA-N	467.319	3.585	50	40	JHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)cc(I)c2O)n1	408976959	HGLYHIAKKICCMF-NYYWCZLTSA-N	472.080	3.820	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1cccc(Br)c1	409092184	WHTHOXNYOFSFPU-QRVIBDJDSA-N	462.344	3.596	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	409178830	NPKZRWYEPBKWJX-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409366306	UEKLMHZTNLFDGW-OYKKKHCWSA-N	478.417	3.759	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)cc1	2289615	ASLHZEKYVIQAJC-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl	4019915	SIOKFSGJHBFDTD-OAQYLSRUSA-N	468.966	3.902	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)c4ccc(C)cc4)n12)CC[C@H](C)C3	13499749	ISZCAODJKABEJL-AWEZNQCLSA-N	494.646	3.888	50	40	JHGB	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1	20835423	GWAGZHUTSGAFRJ-UHFFFAOYSA-N	460.606	3.797	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	33736318	NXLXRJUWJKYJCW-YSMPRRRNSA-N	482.378	3.964	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)cc1	58881118	MTRWOHBIWAHZNY-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O	106205281	WQDKOYMGEJIFCR-YSMPRRRNSA-N	487.622	3.800	50	40	JHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408607427	CXSLTCLHXJLOAJ-CVKSISIWSA-N	466.335	3.795	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC(=O)OC	408904562	LLEZUVGACKVNKP-RMORIDSASA-N	475.841	3.709	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	408946690	AVVRFKGOYSPDJV-MFOYZWKCSA-N	467.909	3.648	50	40	JHGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	409232581	RKPGNERXGIHDGJ-QRVIBDJDSA-N	458.312	3.804	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccc(C)cc1	409249283	NCDZYFKFDHUXLC-LGJNPRDNSA-N	493.589	3.670	50	40	JHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)sc2c1CCC2	2425551	GJUMICPINBCQKY-LSFURLLWSA-N	454.335	3.809	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1Cl	4157118	RXFAHDIVTYLKTD-WUHRBBMRSA-N	464.585	3.940	50	40	JHGB	
C/C(=N\NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1cccc(OC(F)F)c1	9390516	DNVLZJQBCXLQAR-OAKZWBAKSA-N	465.522	3.538	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O	13778919	JAPGBXIPGMMDPC-CAPFRKAQSA-N	460.534	3.807	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	15944976	RHQWYTXQVKYONY-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19952532	LZPGURUOBRJPOX-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
CN1C(=C(C#N)C(=O)CCC(=O)Nc2cc3c(cc2Cl)OCCO3)N(C)c2ccccc21	40151373	RGDHJISVCXWWBW-UHFFFAOYSA-N	452.898	3.720	50	40	JHGB	
O=C(O)Cn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408570595	XANOIFOQONNRTA-FOKLQQMPSA-N	455.561	3.734	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1	408612591	VYNQQBNHQOPZFL-LGJNPRDNSA-N	455.898	3.677	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408779545	YEZGOHVBLOOGTK-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1	408782106	VSJDNVMXVGTWNJ-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408785699	YHBYPGNDGKDMMT-LGUFXXKBSA-N	481.574	3.753	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2c(F)cccc2Cl)cc1	409058969	PYIVBSPQRYJBGA-LGJNPRDNSA-N	489.956	3.834	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	409159115	MORSFNXGCFJTSH-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8819726	IOXBPLCQXLGECR-RGEXLXHISA-N	498.586	3.818	50	40	JHGB	
O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1sc2ccccc2c1Cl	12137598	NRZJDXUOZVVDLI-UHFFFAOYSA-N	490.006	3.756	50	40	JHGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1C	13779306	IPJYGMMYTVJXSD-UMSHPIDHSA-N	458.518	3.614	50	40	JHGB	
O=C(CCc1ccccc1)NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	13942342	QVPCOJOWTTUMTD-UHFFFAOYSA-N	453.424	3.809	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1	19952134	CQNBOGXPJMCLHZ-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC	58914154	KSUYDOZBXWYDGR-MWLSYYOVSA-N	496.995	3.964	50	40	JHGB	
O=C(CCCCCCCC(=O)NNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1Cl	100035954	LTGUHCQMWINYMC-UHFFFAOYSA-N	493.391	3.946	50	40	JHGB	
Cc1ccc(C(=O)N[C@@](C#N)(Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(Cl)Cl)cc1	101411836	QPCBOHDMYKKKSV-JOCHJYFZSA-N	458.349	3.658	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)OC)cc1	408798668	WJOXZLXRAKPCKJ-MHWRWJLKSA-N	487.306	3.723	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C	408974368	YKUTYDXENWXJQU-KTCKORJGSA-N	490.398	3.826	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)Cc2ccccc2)c(C)c1	409159928	BXSCHMWUKSMXSK-CVKSISIWSA-N	494.573	3.861	50	40	JHGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1ccccc1Br)S(=O)(=O)CC2	1430066	MDDVJRPDAALSDU-SFHVURJKSA-N	460.328	3.916	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1	8819815	MVNKTTYIOAXUDW-ZHZULCJRSA-N	483.615	3.923	50	40	JHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)c(Br)c1	9908301	SIUYSTMCRGTTFK-KSEXSDGBSA-N	457.328	3.795	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(Br)c1OCc1ccccc1	28217782	YSDFHRYNPFMULC-ZVHZXABRSA-N	460.372	3.973	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	32581120	VTIZAYMBDAOJCY-VIXPEKOKSA-N	457.490	3.582	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1cccc(Br)c1	408778145	BSRCKSWRPKNBDA-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Br)c1O	408883266	OXLVEJMDLDEQNG-VIZOYTHASA-N	461.312	3.794	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)c1	409155735	MPTYSDFPQAUMJJ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	1444655	FRURDZPLWZHAFQ-UHFFFAOYSA-N	481.144	3.680	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1	2328763	ZEKPDEJQUMXFFE-GUJJFZQVSA-N	490.604	3.799	50	40	JHGB	
O=C(CCC(=O)N/N=C/c1cccc(Br)c1)N/N=C/c1cccc(Br)c1	3093560	APNSYQHRHKOMDT-XHQRYOPUSA-N	480.160	3.592	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)ccc1OCc1c(C)noc1C	3392526	BCCCDGOSOFHKAE-UHFFFAOYSA-N	459.886	3.616	50	40	JHGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2ccc(O)cc2)C1=O)=C\c1ccccc1	8820596	BCEDXQUSSSHPBQ-GEZYKDBCSA-N	481.599	3.781	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)c(C)c1	18137877	AXOOBUVHZHHSOK-UHFFFAOYSA-N	457.328	3.566	50	40	JHGB	
COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br	35494401	QVKHFCXSIRPELH-JMIUGGIZSA-N	456.134	3.922	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)c2cccc(Cl)c2)cc1	409111772	CARCLEYWLAEFEV-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1OC	409143249	MDKGIDKDDDCZKN-WGOQTCKBSA-N	497.573	3.610	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cc(OC)ccc1OC	409336140	MLNWNDUPCSXKHJ-GSERBOKHSA-N	466.534	3.884	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OC)c(OC)c2)cc1	2971547	UPNOCMDVYMBNBV-OVCLIPMQSA-N	478.286	3.540	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1F	9109726	YWQRGRVHELYBSO-UXHICEINSA-N	487.940	3.979	50	40	JHGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)C[C@@H](C)O1	9381837	VBAJRXFNTAUYOG-CHWSQXEVSA-N	480.999	3.505	50	40	JHGB	
COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2cccs2)n1-c1ccccc1	9666359	NWRQXDSCGRJLQB-UHFFFAOYSA-N	465.560	3.558	50	40	JHGB	
COc1c(Br)cc(Br)cc1C(=O)NNC(=O)c1ccc(Cl)cc1	34966236	SLMRAKCQMGYRJY-UHFFFAOYSA-N	462.525	3.948	50	40	JHGB	
O=c1nc(O)c([N+](=O)[O-])c([C@@H](Br)[C@H](Br)c2ccc(Br)cc2)[nH]1	101459368	PLDFICKODQPQPR-SFYZADRCSA-N	497.925	3.718	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)N(C)c2ccccc2)cc1OC	408720122	XUUGATBMLWKRBY-WSDLNYQXSA-N	464.316	3.580	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	408945703	XVMRQQYWINJJGH-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	409131428	XXCZACXQSKAZAK-MRXNPFEDSA-N	478.290	3.504	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3CC)cc2)cc1	409254379	YZYPKFJEBQZMAB-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(C(=S)N2CCOCC2)cc1Br	1100178	MAIXLGITMHKHLY-SFQUDFHCSA-N	457.349	3.969	50	40	JHGB	
CCOC(=O)C1CCN(c2ncc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)s2)CC1	1406007	APXUDLNBANDPJS-FOKLQQMPSA-N	455.367	3.993	50	40	JHGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3ccccc32)cc1OC	2299373	BWCLAZDZPKTQIT-UKSQQKGKSA-N	499.571	3.764	50	40	JHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1I	3083863	XZELXPIAMMLSOP-RGVLZGJSSA-N	455.683	3.814	50	40	JHGB	
COCCOc1ccc([C@H]2C(C#N)=C(N3CCOCC3)Oc3oc4ccccc4c(=O)c32)cc1F	8768306	GXDDKIGZZXUYES-QFIPXVFZSA-N	478.476	3.549	50	40	JHGB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2cccs2)cc1	20288763	JRJGQIJRNPWUJG-ZHZULCJRSA-N	477.502	3.624	50	40	JHGB	
C=CCOc1cccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1	39986448	GZVKRQPLBYQONQ-BWAHOGKJSA-N	455.580	3.725	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	58913344	YPQFYMGJIZARDJ-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	59410790	SARVOLSKPVRUJV-WSDLNYQXSA-N	452.379	3.773	50	40	JHGB	
COc1cccc(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1	409020499	PWZRMILGMHOGDH-JVWAILMASA-N	461.518	3.723	50	40	JHGB	
N#C/C(=N\NC(=O)c1cccc(C(=O)N/N=C(\C#N)c2ccccc2Cl)n1)c1ccccc1Cl	1581919	LMBJVTUGUTVXGY-RZEGEWEPSA-N	490.310	3.704	50	40	JHGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)C1CCN(Cc2ccccc2)CC1	8925845	VNCVAYONEIIHLK-UHFFFAOYSA-N	452.942	3.977	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	9396240	LKTCUHVZLZTTSW-SFHVURJKSA-N	496.612	3.815	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	9908332	ZBAIQMORWLRUPF-NMFBSFOHSA-N	475.480	3.721	50	40	JHGB	
COc1ccc(/C=C/C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC	12284795	GWHBIFKUEDFHFK-XBXARRHUSA-N	466.321	3.590	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cccc(Br)c1	20060516	AYONHEOHHUZLGV-LPYMAVHISA-N	460.353	3.519	50	40	JHGB	
COc1ccc(/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1	408581143	GPYSLUYZTKDTEU-VGOFMYFVSA-N	465.243	3.836	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1	408853614	QJCIGNPJOQBRLT-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1	409126102	GXFZRRNLISOYRI-MOPGFXCFSA-N	489.475	3.815	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccccc1	409138704	GVBJICGFAHVKOF-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccc([N+](=O)[O-])cc1	409199346	CKLIPVBFWUFWML-QPEQYQDCSA-N	450.188	3.727	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409263247	IMCWWHFOUNZGJR-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)CSc1cccc2cccnc12	10214308	VTUQVOMIBXZOQO-UHFFFAOYSA-N	486.553	3.697	50	40	JHGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc(OC)c1OC	12275224	LLDYMPFTOLPFGW-MZNJEOGPSA-N	452.532	3.664	50	40	JHGB	
Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccccc3)c2)c2c(C)nn(-c3ccccc3)c2n1	22756629	DUWIRKJFYQJXMT-UHFFFAOYSA-N	496.600	3.914	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1)NCc1ccco1	28213902	GZCHTTZBOPUCQP-BRJLIKDPSA-N	457.939	3.871	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1	58881404	BMPDSBJVXWLXCL-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1oc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1Br	58926483	WMKSKKPTSFNDBB-LPYMAVHISA-N	476.352	3.940	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	408969939	XHVZJQNBXAIHHS-MZJWZYIUSA-N	452.942	3.831	50	40	JHGB	
CCOc1c(I)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	409105186	HGZWIKSHZHZIDW-GOSISDBHSA-N	492.269	3.645	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409257483	POQJTGGBQUSSJE-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1cccc(Cl)c1	409260651	UDBMEKFOVWSBII-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)sc2c1	674908	FQSWUBPJYIAYFB-UHFFFAOYSA-N	450.900	3.664	50	40	JHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccc(OC)c(OC)c1	2343286	IHYWJVJHYHVCBY-JFLMPSFJSA-N	493.516	3.746	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(O)c1	3230271	HTXKJLGVLFQKHT-HZHRSRAPSA-N	472.592	3.865	50	40	JHGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21	9282737	JUKVOXBSYMCFBM-YRUIYKTESA-N	469.545	3.756	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(F)cc1	13401098	JTVKOXIIZAJSNF-LDADJPATSA-N	481.505	3.606	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	19948834	ZBYNWVDLZKJLRM-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	19949764	MMCFIPBJLKOCDV-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
CCCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC	21967127	QKLBDGAFVWDUQQ-UHFFFAOYSA-N	453.520	3.873	50	40	JHGB	
N#CC(/C(O)=N/c1ccccc1)=C1/S[C@@H]([C@H]2SC(=O)NC2=O)C(=O)N1c1ccccc1	26786560	NSAGGUGHVNFKTJ-UOMLRGAOSA-N	450.501	3.510	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	102003893	RYQZQTPYOPTEQD-FGTMMUONSA-N	470.348	3.540	50	40	JHGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1	408834848	VXKSYRQOMLVJJN-JIHKLPAASA-N	476.920	3.972	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccc(F)cc1	408968858	ZTMUYPMWSLHHCR-XODNFHPESA-N	464.428	3.626	50	40	JHGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1cc(Br)c(O)c(Br)c1)OCO2	409114983	JHPAOZJCFJQRKL-SCDVKCJHSA-N	486.116	3.809	50	40	JHGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1	9281330	JYGAJWPCQZJVOB-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9350199	KUBSSJAJUVHOGS-HXUWFJFHSA-N	478.505	3.728	50	40	JHGB	
CC(C)CCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3	9545725	XUDCNRGBJKCLNN-UHFFFAOYSA-N	484.647	3.936	50	40	JHGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccccc2F)c1	9883836	KVKTUGSKNUUQCV-UHFFFAOYSA-N	475.929	3.769	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12275525	BNWSIQTVAVNJCP-AVRWGWEMSA-N	482.558	3.754	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1	12812393	UHTLIZYOSWFABL-UHFFFAOYSA-N	478.965	3.595	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O	13856845	ASXNOCKCUXZBLN-KRWDZBQOSA-N	451.281	3.866	50	40	JHGB	
Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)c1	18276463	GEMJZCBJASJFIR-UHFFFAOYSA-N	481.144	3.680	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C#N	59427747	ONCCYKSNBIJFMQ-KKMKTNMSSA-N	465.941	3.998	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	408648789	KGFKIDCWMGFKRW-KSSFIOAISA-N	478.860	3.519	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408718667	RKFIRQFRUAAMIP-MYYYXRDXSA-N	463.446	3.985	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408774731	CUFBZJOTIBUAQO-CVKSISIWSA-N	485.537	3.584	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC	408791977	FYQYGRHCWOPYEK-CPNJWEJPSA-N	466.490	3.750	50	40	JHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1	408816137	RBUIVZRZOUNNKL-NTUHNPAUSA-N	464.259	3.868	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)O	408922772	GLQCPDYNOCNWBP-NYYWCZLTSA-N	466.233	3.919	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408977963	GJUPLHAJXGTHAM-WVWWYIFQSA-N	473.529	3.640	50	40	JHGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC(N)=O	409242626	XGQJXNDNUQLDGL-QPEQYQDCSA-N	479.128	3.892	50	40	JHGB	
Cc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)n1	1091825	XXMADMUAURUNPU-ZVBGSRNCSA-N	477.160	3.924	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccnc1	9403842	UAADTSZWPSMKCV-OEAKJJBVSA-N	473.352	3.799	50	40	JHGB	
COc1cccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(OC)cc2OC)c1	13541398	UBSMCGNPXISRST-RQFMOZSRSA-N	476.533	3.596	50	40	JHGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O	19951069	KMCBSRQDHUZLRZ-OEAKJJBVSA-N	488.363	3.500	50	40	JHGB	
N#CC1=C(N)OC2=C([C@H]1c1cccnc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	20558532	RILYVDBKQJJHTN-NRFANRHFSA-N	460.490	3.747	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	408611991	TUHISXMDMBQIKA-JFLMPSFJSA-N	451.910	3.694	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1	409126112	GXFZRRNLISOYRI-RBUKOAKNSA-N	489.475	3.815	50	40	JHGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)c1	409226286	UNANNRBRIQMAMG-UHFFFAOYSA-N	453.882	3.684	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1	409257340	OEDCXNRVYCWVER-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c(C)c1	409269110	FHCRNGNXKAQVMY-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CC(C)c1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1	409338617	NATHIMFDYKSJFN-AZPGRJICSA-N	490.585	3.502	50	40	JHGB	
CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]3(C)[C@@]2(C(=O)CCl)O1	504300751	MUQNGPZZQDCDFT-VPEZLUFBSA-N	454.966	3.889	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1	1406812	HIIRLUFSHIRJFQ-UHFFFAOYSA-N	450.335	3.952	50	40	JHGB	
Cc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(NNC(=O)c2ccc(Cl)cc2Cl)S1	2381674	ATHWBZIGMCBFGF-HNNXBMFYSA-N	451.335	3.563	50	40	JHGB	
CC[C@@H](Nc1ccc(I)cc1C)C(=O)N/N=C/c1cccc(OC)c1O	2743183	SZBCUZIWYYBZFC-UGVMZYNRSA-N	467.307	3.655	50	40	JHGB	
COc1cc(/C(C)=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc(OC)c1OC	9440703	ZMMAVSQMLJFTLH-WPWMEQJKSA-N	486.532	3.568	50	40	JHGB	
COc1ccc(O)c(/C=N/NC(=O)CNc2cc(Br)c(C)c(Br)c2)c1	14923786	XOSXXEKBWKKJIE-ODCIPOBUSA-N	471.149	3.796	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1	19948385	QOCKWFHWXGTDIO-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccc(C)cc2)cc1	20232209	VERUYJUEOCCTIT-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104192315	JPFJRFOLUFXVAU-UHFFFAOYSA-N	482.476	3.917	50	40	JHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	409218567	GDWSBEFTRYKUDF-MYKKPKGFSA-N	467.821	3.960	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OS(=O)(=O)c1ccc(C)cc1	409333896	KFLSJVYWKZDDCK-QQXSKIMKSA-N	498.557	3.943	50	40	JHGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	880473	UASUBWDLCGRJBE-ZKDDGRGJSA-N	469.837	3.989	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@H]1c1ccccc1	3088084	QSBPYAFCPSJXAD-OAQYLSRUSA-N	458.543	3.859	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	19869080	FWHKQUWIOGLMHQ-KPSZGOFPSA-N	463.071	3.899	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1	59443960	RQQYAIWCHSWMAM-YZSQISJMSA-N	485.993	3.732	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	409043488	MMGRVMVJUPCEPJ-XNTDXEJSSA-N	477.904	3.992	50	40	JHGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OCC	409219061	MUBSACPEVGGCPX-UHFFFAOYSA-N	492.488	3.719	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1	778270	NTVIEJKGUWTVMD-XSFVSMFZSA-N	477.542	3.857	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1cccc(Br)c1	1433872	FTZGQPJFBNHYLX-LSCMLXDISA-N	453.292	3.852	50	40	JHGB	
O=C(Cc1csc(-c2nc(CC(=O)NNc3ccccc3)cs2)n1)NNc1ccccc1	1628542	VJXOLDCDPGLJBF-UHFFFAOYSA-N	464.576	3.638	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N32)cc1	12275924	IKHRDDTTZIHHPP-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
C[C@@]1(C(=O)OC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br	97949550	JAUDUUFMCWXOBP-YUMQZZPRSA-N	497.803	3.848	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408789921	OQAAJWLGAHWOHD-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408921989	NKGVIDQBAOESJE-BRJLIKDPSA-N	489.903	3.840	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Br)c1OCC	409251598	AOSIWPAZXDSOCE-FCUAXUHVSA-N	492.345	3.889	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)ccc1OCC(N)=O	622785	MGCGMGBPAUDFPM-HSZRJFAPSA-N	481.512	3.711	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1435676	AJSVYXHDZGSXCD-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC	2163781	JQFXMYUGYCRDIV-SFHVURJKSA-N	457.324	3.921	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)cc1	2298979	WMDHCCZZCLZUSB-SFHVURJKSA-N	452.492	3.704	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1	2437868	QCNXKSSKHHJVNP-VHXPQNKSSA-N	468.488	3.618	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	2752866	CSQBAKWKADTEFG-GCMSVZMUSA-N	465.539	3.615	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc(OC)c1O	9632262	ZEPZRVYAAVZKPL-ZMOGYAJESA-N	489.937	3.628	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	19948233	NXWHWRAPBMJGDW-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	19949503	RMRSDKYHRWNZLB-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408864066	SDSBSMVIRAZLCP-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1OC	408872216	BFFAVPNZLYWMRM-TXUKGALZSA-N	456.324	3.975	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1	408880672	GRGMNBHSXWKZAW-FMCGGJTJSA-N	466.406	3.560	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1OC	409025138	MGEGOPHTMFILKT-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1	409160010	PADYJVWZOQKNRB-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)cc1	3265595	HHIKOXXUTMWLII-UHFFFAOYSA-N	450.838	3.627	50	40	JHGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)COc1cc(C)c(Br)cc1Br	14920881	BNPNUUVGEVOXIB-SRZZPIQSSA-N	477.197	3.696	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1	33760277	KJUGXTWLDKPJPP-SILNSSARSA-N	482.606	3.872	50	40	JHGB	
COc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc(I)c1O	36625098	YSNMIAYCZLCSSL-UFFVCSGVSA-N	454.308	3.672	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409261145	AMPRGFCDKRQLRE-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccccc2)cc1	1478246	YMYIKWGNCCAYMF-MFKUBSTISA-N	459.531	3.891	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C(\C)c1cc(Br)c(O)cc1O	8812979	IISHFMURPUJNQY-UFWORHAWSA-N	458.106	3.785	50	40	JHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408847403	VBWSOZIMUWFHBH-YVLHZVERSA-N	482.334	3.748	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)C(=O)NCC)cc(OCC)c1OCc1ccc(Br)cc1	408995400	CGXHIQPRGKFBSH-VULFUBBASA-N	488.382	3.742	50	40	JHGB	
O=C(O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409202020	NQNSVEQQKISDJF-DNTJNYDQSA-N	457.733	3.808	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1OC	894923	GUULYWHKOJZYAT-JFLMPSFJSA-N	466.465	3.764	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	2709982	SBEXPMYQIORODA-QHCPKHFHSA-N	461.493	3.774	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	9320151	OTCNWQAHEOWDKA-XZOQPEGZSA-N	493.585	3.757	50	40	JHGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc(OC)c1OC	10007583	HVLYJQWLZRXYGN-INIZCTEOSA-N	467.547	3.731	50	40	JHGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	14889930	DYJDPXVRUJZOHL-GFCCVEGCSA-N	488.869	3.724	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)c(C)c1	14922756	QUDQYPXPEJKDMD-BUVRLJJBSA-N	462.344	3.974	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1	20213410	RRGGCRRMOZRLLO-BHGWPJFGSA-N	465.856	3.804	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC	58912100	AMIDZNYINDCTJH-MUFRIFMGSA-N	476.577	3.537	50	40	JHGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	59922109	JGGPYKQJPQSMSY-LPYMAVHISA-N	484.803	3.654	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1c(sc(=O)n1Cc1ccccc1)[C@H]2c1ccccc1O	170621199	TZTCJMPXWLQKTC-WMANIXGKSA-N	491.590	3.852	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(OCC)c1O	408851677	MGYAJEXPRRCNHC-CIAFOILYSA-N	450.276	3.888	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)Nc1ccccc1Cl	408880906	KIYIPNOCNHPESI-XFBJJFJZSA-N	465.893	3.648	50	40	JHGB	
Cc1cc(NC(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br	408904205	GKMFLAZVNUPXOU-MTJSOVHGSA-N	462.304	3.658	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408926669	VUXNHJPDBWVMKK-WSDLNYQXSA-N	458.367	3.699	50	40	JHGB	
CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccncc1	408972431	TZMOJCNOUHJFRM-CYXWELFWSA-N	451.354	3.837	50	40	JHGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C	409010668	DDRZKIYXYGKTEF-NEDSSLFVSA-N	483.568	3.572	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2)cc1	409024967	OILGPVHYJGENIL-XIEYBQDHSA-N	451.548	3.690	50	40	JHGB	
Cn1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2)c(Br)n1	1005776	CYOCYOBZFKQBQT-DNTJNYDQSA-N	496.115	3.521	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1	1326664	CGXKEMNZHIBGSP-HNAYVOBHSA-N	487.438	3.655	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21	2366485	AVZPCFIGNUGHRM-GUJJFZQVSA-N	490.604	3.799	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C(=O)Nc4ccc(C(C)C)cc43)c2)cc1	9580062	MTWOMPQKOZMQPO-UHFFFAOYSA-N	492.557	3.706	50	40	JHGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc(OC)c1OC	12275226	LLDYMPFTOLPFGW-XDHUDOTRSA-N	452.532	3.664	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	20232457	YRMGGKGEGFOOLP-OVVQPSECSA-N	478.574	3.765	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OCC)c1OCC	22506283	PTCBNOAHRJGSIG-UHFFFAOYSA-N	483.569	3.671	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)Cc1cc(=O)oc2cc(O)ccc12	59364600	WCRKUBGTWMEDDH-VULFUBBASA-N	476.360	3.784	50	40	JHGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2C1=O)c1ccc(Cl)cc1	101027833	PYSMDUKUQSPNEK-OOAXWGSJSA-N	465.918	3.533	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1	408730810	ITDXHBFKYSYLHY-OEAKJJBVSA-N	496.553	3.629	50	40	JHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1cccc(I)c1	408762247	NUTKMXCNOLFOKC-CIAFOILYSA-N	460.227	3.867	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc(OC)c1OC	408879187	CYKKKBDTKDDGER-MDWZMJQESA-N	464.259	3.863	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)c1	409176058	XSVKCZJDGZXUFV-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(C)c1	409263298	INLNQILEYSZOHY-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(N)=O	409269863	AIXDGVQILIUBMP-VGOFMYFVSA-N	493.257	3.526	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409310203	SBHISZPYJGRLJR-RBUKOAKNSA-N	470.934	3.798	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1OC	409319139	ATBAEUMVVCPENW-UQQQWYQISA-N	466.515	3.792	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Br)c1OCC	409362434	JMLUBHKBDCWZIL-QRVIBDJDSA-N	463.328	3.711	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(=O)OC)cc1	408606095	NVWYOUCYQYYCCA-HXUWFJFHSA-N	460.515	3.558	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408743971	CWXVFRGHTZLFNL-GDNBJRDFSA-N	488.281	3.866	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408852164	IXJHGPYADSWVAV-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(=O)NCCc1c[nH]c2ccccc12	408955170	TUMFBQQXQVKEPM-AUWJEWJLSA-N	455.268	3.810	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)cc1	409255067	KIFCFYXGSROCFS-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccccc2)cc1	863857	AMSLRYGCIDRPIP-AFUMVMLFSA-N	459.531	3.896	50	40	JHGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)/N=C(/N)O)cc3)n2)cc1	2201039	FKDUERMTYGPIEX-NTCAYCPXSA-N	469.548	3.747	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(=O)O	2268537	BRJFHCMHBUMIPA-VGOFMYFVSA-N	492.269	3.617	50	40	JHGB	
C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2C1	3383418	FQAPLBRDORAJLR-SQWLXVSWSA-N	456.553	3.825	50	40	JHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	20212638	VLXNQSALFMUGJD-DHRITJCHSA-N	455.967	3.817	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c3ccccc32)cc1	103857153	RVLGDPPFSBBPCN-RRZKOTJBSA-N	474.605	3.963	50	40	JHGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)CO/N=C/c3ccccc3)c3ccccc32)C1	103858900	LDQRMPQDMSHNNL-OXIOLIPNSA-N	487.604	3.762	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cccc(C)c2)cc1	408780091	RWDFZBSPLWGUQS-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408785757	BPWDMUYKHGJFNS-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1	408818627	PUUCIWGGGGEJCM-ROTLSHHCSA-N	455.898	3.983	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1	409175037	YKFZOCOVGQYAJC-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
COc1ccccc1C(=O)NNC1=NC(=O)C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)S1	2729829	RJSPNOSZFOZPNW-OAQYLSRUSA-N	490.541	3.749	50	40	JHGB	
COC(=O)C(C(=O)OC)[C@@H](Br)[C@H](Br)[C@H](Br)c1ccccc1	5082502	BNZPJJVZKBTFON-IJLUTSLNSA-N	486.982	3.612	50	40	JHGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	13100630	KWTIFJSDAZXSLG-QHDLCEMNSA-N	453.462	3.726	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1OC	19949240	QKTWQEDVHKLRGG-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC	20060550	HIXPJNGRPQNYOZ-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20499745	CESNHQXLSVOXLD-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
CCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Br)n1	28289363	RXUPNUXIKZTTIV-UHFFFAOYSA-N	474.178	3.579	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC(C)C	33382546	XTWQARHSSMZYMK-NHDPSOOVSA-N	450.289	3.846	50	40	JHGB	
O=C(CC(O)(C(F)(F)F)C(F)(F)F)[C@H](CCCl)C(O)(C(F)(F)F)C(F)(F)F	73242326	KCSCCVGBCPYEOH-BYPYZUCNSA-N	452.619	3.902	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1OC	409010001	CWJJLIATRYBEMA-VYYCAZPPSA-N	497.935	3.904	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1	409058761	LAFPTSBNCLPTQH-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409154249	OCJOIVOSIRHFFZ-IPPBACCNSA-N	491.544	3.774	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCC(=O)O)cc2c1	409187307	OSGWBVIOSHHONQ-YVNNLAQVSA-N	461.268	3.821	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409252663	UNEOWBSGVDSTKB-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2C)c1O	2100992	BLAUPXWGAWQWBE-LSHDLFTRSA-N	468.735	3.994	50	40	JHGB	
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NNC(=O)c1ccc(F)cc1	2625723	NXLOMJKAHPBWSM-UHFFFAOYSA-N	453.524	3.688	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2)ccc1OCc1ccc(F)cc1	9305855	YSXKIVRXXLCPNL-MQRLXVCBSA-N	493.535	3.837	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(=O)OC)cc4)CC(=O)N32)cc1	12275249	RTNZBEYJDUTBKU-DVECYGJZSA-N	450.516	3.515	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N32)cc1	12275920	IKHRDDTTZIHHPP-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
COc1ccccc1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	16712134	WZYGBUNYLWORQR-YSMPRRRNSA-N	458.543	3.945	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1	19956661	VJVGXSZOHRTHNJ-OVVQPSECSA-N	494.617	3.805	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	20207394	FTPKLJISHDSZNT-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]	103744886	WXIBDFDFBBXFCX-CIAFOILYSA-N	451.351	3.967	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)NCCc1ccccc1	408791925	FJPIROGJSXVYNQ-NCELDCMTSA-N	453.542	3.690	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	408982785	FGYQDPODUSPNPB-OQRGYWNNSA-N	473.341	3.754	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1OC(C)C	409019880	KRELVJZSKVWEJC-KEBDBYFISA-N	454.264	3.557	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)ccc1OCc1ccccc1	409112631	FKLCQGZRZNRTNB-YZSQISJMSA-N	481.574	3.824	50	40	JHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	817315	HDVZMLZCAXHVSX-FOKLQQMPSA-N	478.412	3.736	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	1479262	RERBGJCWKCHKGB-LGJNPRDNSA-N	492.948	3.923	50	40	JHGB	
CCCCOc1ccc([C@@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1833599	OPNSQROIYSQIMR-NZQKXSOJSA-N	475.549	3.756	50	40	JHGB	
O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1F	9963869	CIXKCJIIFWGZNL-UHFFFAOYSA-N	476.386	3.601	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OCC	14408685	IVTUSNLQRKLLJB-SSDVNMTOSA-N	451.704	3.983	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc4c(c3)nc(C)n4C)cc2)n1	58228010	CWRTUMXEUFBTNC-UHFFFAOYSA-N	460.563	3.656	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]32)cc1OC	100887955	XMUFYKVKUNEGNO-QYZOEREBSA-N	489.475	3.805	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)cc(OC)c2O)cc1	408743507	GHWPDLXOOKHMRE-JYRVWZFOSA-N	464.259	3.950	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764131	LJGKPDSEQJOSTL-BUVRLJJBSA-N	499.501	3.534	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(Cl)c2)cc1	408772871	NROAOSHSOHXOBG-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br	408953940	QPQRCZAAXBEFRY-YVLHZVERSA-N	482.334	3.748	50	40	JHGB	
O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1249955	YVVFYRUDSSVYCR-WMMMYUQOSA-N	495.366	3.833	50	40	JHGB	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	9223929	YZUWWDZLRXJALT-RVDMUPIBSA-N	463.519	3.672	50	40	JHGB	
CCn1c(NNC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)nc2ccccc2c1=O	9468167	JGAREBQNCUJMNG-UHFFFAOYSA-N	491.573	3.591	50	40	JHGB	
CN(C)c1ccc(/C=N\NC(=O)CCCC(=O)N/N=C\c2ccc(N(C)C)cc2Cl)c(Cl)c1	31670071	FJYMRGTUNGCSCR-JUZYOEKXSA-N	491.423	3.896	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)S(C)(=O)=O)cc1	58915248	YIZQYFLYYPWPOI-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1ccc(Cl)cc1	408744963	IUMQJPXDBQKUCI-GHXNOFRVSA-N	482.661	3.954	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1O	408771323	GYYJYVJHMOYYGD-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1	408833796	YRORMSYBCGICBV-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1O	409006864	RIJPPWIDLHSLJQ-WYMPLXKRSA-N	450.322	3.710	50	40	JHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c1	409008615	YSYMPSFLVAQGGA-LSHDLFTRSA-N	457.236	3.869	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1	3026749	IMORHWXIHXYSCW-OCHMLHLXSA-N	475.457	3.751	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1F	9110684	LNYHGIOOGJTLAX-SFTDATJTSA-N	481.549	3.942	50	40	JHGB	
Cn1c(SCC(=O)N/N=C/c2cn[nH]c2-c2ccccc2)nnc1-c1cccc(Cl)c1	9424997	RCWIGVIIKFLCBK-FOKLQQMPSA-N	451.943	3.768	50	40	JHGB	
C[C@@H](NC(=O)CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1	9849569	OAXJEZOKODFLHD-OAQYLSRUSA-N	486.572	3.937	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1	12853088	PHRAKHYPKZFJMU-XMMPIXPASA-N	470.529	3.775	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O	13811516	BXBIXDAUZZINEC-XDJHFCHBSA-N	460.534	3.978	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC	36235374	TVSYKTMKARTGMN-RMLRSCLLSA-N	487.512	3.744	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cccc(Cl)c1Cl	58914279	ZDHHMCNUWVBHKM-WKIKZPBSSA-N	458.349	3.953	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(I)c1O	108271145	FEDQHCGUVCOSMA-SRZZPIQSSA-N	452.292	3.705	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1OCc1c(F)cccc1Cl	408610875	UVEWMCIFSMYXQM-WKULSOCRSA-N	483.927	3.876	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1	408862630	KWUMWBXVXZUSHT-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Cl)c1O	408970773	DUHKKRVKIGICCY-KXQYEYADSA-N	475.973	3.813	50	40	JHGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	408996347	DDTUVHPQJZAGNW-BHGWPJFGSA-N	452.338	3.816	50	40	JHGB	
CCOc1cc(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O	3025606	AJLISNZDHUHREP-MFKUBSTISA-N	469.335	3.940	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)c(OC)c1	9693230	JABKGVZNSDIORC-MRXNPFEDSA-N	453.520	3.637	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(C(=O)O)c1	33518664	NITOPNCBJUEMMK-QFEZKATASA-N	463.446	3.573	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)Cc2ccccc2)cc1	59435394	JTJRFRUAPMFHKM-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O	83327013	WXIMVCZLXIFVFL-UKWGHVSLSA-N	475.211	3.995	50	40	JHGB	
CC(=O)OCC(=O)[C@]1(O)[C@H](Cl)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	118922967	ZJDJNJPERVGYNY-ZJDFJKAMSA-N	467.002	3.962	50	40	JHGB	
C[C@@H](N(C)Cc1cc(CCC(C)(C)O)c2cc(B(O)O)n(C(=O)OC(C)(C)C)c2c1)C(C)(C)C	201334312	VWZDRKUIILQDLW-QGZVFWFLSA-N	474.451	3.674	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(OC)c1	408602319	BQZFXNZCLXDBBQ-OAQYLSRUSA-N	462.531	3.789	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	408771232	DSMOZVBLDIUNFD-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408786874	OVZJPALIACQCHX-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OC	408871569	HJCYDDLYAGTUMC-HYCPDRRQSA-N	456.324	3.975	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408890582	VYEDMEBQROJFGS-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)c1	409004889	FYGWJPSEFFEMHO-JVWAILMASA-N	461.518	3.565	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1	409150849	FGSRSXCQUODXTN-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	409154155	MWMDAWSGRGGLDC-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1	409168627	NGBPHAHARONJGB-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409264943	LVQWCRGXSLHIPB-OGLMXYFKSA-N	488.544	3.890	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1	409272357	YGLYYZQIPPEZIB-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCC(=O)O	409320760	FAMZCWUUBJHXEL-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2128689	OUSQIRTYEYYEHZ-IBGZPJMESA-N	457.280	3.969	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CSc1ccc(Cl)cc1	2451638	LDQXYWMYZSUTQV-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccncc1	2741722	OXLOBDIZLOQODT-NLTKLDOMSA-N	457.563	3.905	50	40	JHGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(I)o1	3151314	IWRDKMOPQOJLPF-CNHKJKLMSA-N	477.096	3.793	50	40	JHGB	
Cc1c(NC(=O)c2c(NC(=O)CCl)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C	3886206	OSIBXRWNTKKBDS-UHFFFAOYSA-N	458.971	3.854	50	40	JHGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9140802	MWZVVEANYKPFON-UHFFFAOYSA-N	472.486	3.850	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl	15188733	RNAZXTHHXUAGLE-OQLLNIDSSA-N	467.888	3.774	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1	22938752	KURSFQOSRLVGPK-UHFFFAOYSA-N	470.617	3.862	50	40	JHGB	
COc1ccc(CCC(=O)NNC(=O)c2ccc(Br)cc2)cc1Br	24828633	XNPQDIFMFUOKBG-UHFFFAOYSA-N	456.134	3.614	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1cccc(Br)c1	408768127	CDQLXTZHYINWQX-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409153422	LRMLULPRBGZIDL-NSKAYECMSA-N	490.299	3.597	50	40	JHGB	
CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409194955	NQBXQJKEHCQVKF-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C(F)(F)F)c1	409410366	VUKXSAZYFGWOTJ-USEHDAJUSA-N	499.401	3.974	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N3C2)c(OC)c1	2346286	YLLLUOOYAYWNBV-QGZVFWFLSA-N	467.547	3.940	50	40	JHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1	16065249	VCWPYHNAMRXBTL-UHFFFAOYSA-N	480.503	3.684	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1	408775435	PZTKAAUYJDWWLK-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(O)cc1	408794106	HWZMMJOVCCNYCX-VZUCSPMQSA-N	496.111	3.926	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCC(=O)O	409051068	IACWLHVCNFFROM-ODCIPOBUSA-N	455.692	3.647	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1	409236592	TVVROHBBPWJMOZ-MLPAPPSSSA-N	464.703	3.792	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1)Nc1ccc(Cl)cc1	409262995	LAEKOEPTBIFHQW-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OC	1096964	ZSSSTWDCXKHYOD-KEBDBYFISA-N	450.232	3.819	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1OC	2316762	DVWSPDJYVITZGM-SSDVNMTOSA-N	490.383	3.504	50	40	JHGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCc1cccs1	12466659	KJJIPSKWXHSQSL-UHFFFAOYSA-N	462.531	3.879	50	40	JHGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	12933732	BHWSJWJGSHILDO-INIZCTEOSA-N	493.514	3.996	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1	13577023	ZODAKYJCKFRMNF-JJIBRWJFSA-N	482.518	3.694	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	16689105	SNEIZYVHGCETMH-VULFUBBASA-N	477.473	3.994	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1	28214901	ARVXXCNBNDHHKA-MOYYISEASA-N	475.998	3.647	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408676488	JGXKWEFQMWXLGF-BUVRLJJBSA-N	456.340	3.834	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1OC	408783162	LPOSGOAGIQJHIW-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(I)c1	409343213	HTZGRKATOKUNCU-DJKKODMXSA-N	458.097	3.616	50	40	JHGB	
COc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccs1	13777545	IPDXGVKAQAKJTA-DHRITJCHSA-N	455.467	3.594	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19950164	NTXYYJPOIWAQOV-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	19953075	KIZOASSFUXWWGE-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1	20208769	BJOILLDEIKLTCK-VFCFBJKWSA-N	492.601	3.862	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCC(=O)O	20760980	NEGPTDGRJDMYDI-ZVBGSRNCSA-N	455.692	3.729	50	40	JHGB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)Nc1ccc(F)cc1	408659933	KIIVEMBPXJMREY-MKXGPGLRSA-N	493.318	3.735	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccccc1F	408738102	NUKXXXLQLHNHMO-CNHKJKLMSA-N	463.044	3.662	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	408768564	HCQSWJHHTAPNDQ-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1O	408816702	KABNEKLRVBMDNT-NVNXTCNLSA-N	478.286	3.627	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc(OC)c1O	409010105	ABVASZKDZQRFIE-FEGPCZTRSA-N	481.593	3.806	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	409027941	GSIIHXXXSDMUDM-WGOQTCKBSA-N	466.607	3.881	50	40	JHGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2O)cc1OC	409067797	ZOAGUGIVCMRXJE-RGVLZGJSSA-N	454.264	3.558	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NC(N)=O	409228690	CQGNREHYJUCHAK-MLPAPPSSSA-N	479.128	3.892	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1CSCc1ccco1	667797	AJQPJKHHPAAJBU-ZVBGSRNCSA-N	463.357	3.982	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc(Cl)c1OC	9583481	IUQRIVOUMXCYGE-SFQUDFHCSA-N	451.914	3.839	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)o2)cc1	23382873	QEGQTGRKGGAOPZ-WPWMEQJKSA-N	461.518	3.719	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)n1	40051146	FWNWWZCCVBYUSD-UHFFFAOYSA-N	491.621	3.507	50	40	JHGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1	40137523	MAHKYPGEVRQEEH-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCCc1ccccc1	58873181	LCUOFSGQOUUFHF-RHANQZHGSA-N	492.963	3.557	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408742842	CDEHTHKDMXPFHA-NVNXTCNLSA-N	459.296	3.864	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(C)cc1	408907519	PYFDGUOBXHNOEI-ZMOGYAJESA-N	461.893	3.974	50	40	JHGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)cc1	409018275	UIUBAOFHMZEGND-TVYAFPLLSA-N	467.566	3.540	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OC	409312906	AFBRROFFEHHQPV-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCC(=O)O	409393602	RETYGVBUVDIPDY-ACAGNQJTSA-N	453.207	3.966	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2cccnc2)cc1	1474518	BNVPCSCFYVQFAG-VULFUBBASA-N	474.546	3.676	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1	20060849	SBMAULJVJFWRBW-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)Cc2ccccc2)cc1OC	59443898	CUMVMHKCPCMPOP-UHFFFAOYSA-N	473.595	3.721	50	40	JHGB	
Cc1ccc(C(=O)N[C@](C#N)(Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(Cl)Cl)cc1	101411834	QPCBOHDMYKKKSV-QFIPXVFZSA-N	458.349	3.658	50	40	JHGB	
O=C(NP(=O)(N1CCCC1)N1CCCC1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1	105907026	XGSGLVAEDXYULB-LSDHQDQOSA-N	470.554	3.866	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cc(Cl)ccc1Cl	409027773	HBPQJOYSEMOALU-ODCIPOBUSA-N	452.722	3.702	50	40	JHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1OCC(N)=O	409266657	QSFKDPKFDVJDCC-MLPAPPSSSA-N	493.155	3.930	50	40	JHGB	
Cc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2C	8913973	HFYHKHLDNXVHGJ-FAJYDZGRSA-N	462.513	3.912	50	40	JHGB	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12	9507170	IMMCUDIMMDHTQU-UHFFFAOYSA-N	472.526	3.621	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(O)cc1	9580403	UVGCZBILTDAWMF-XIEYBQDHSA-N	451.548	3.675	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1OC	83314633	WGFKYMCPVFGBIU-UWVJOHFNSA-N	458.106	3.698	50	40	JHGB	
Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccccc1I	408590485	PCIKIOCUZZITBB-IYHCKTHZSA-N	473.314	3.882	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408768217	VCQDHTFXGMGUBD-JVWAILMASA-N	493.585	3.744	50	40	JHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408880437	JBVIEEVUTVWZFM-RSFOSLOZSA-N	460.770	3.950	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(I)c1OC	408890428	SXTLRAWZIVVVLX-KPKJPENVSA-N	478.242	3.552	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)cc1C	409128789	KXEGCKSKYGJGCP-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(Br)c1OCC	409259407	ZGUZLGJQBDHJFA-CBFMJHRQSA-N	474.355	3.750	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)ccc1OC	409310193	RWSQXMSAGZVVQK-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	6134811	FTELCBAZSUTCJA-PXYXSCDOSA-N	451.483	3.520	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1	12250306	YKRMXONVHLIVOA-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1	13121127	YRBLSWUDFMWCTF-UHFFFAOYSA-N	482.556	3.966	50	40	JHGB	
COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)c(-n3cccc3)c12	96336484	AXAAIGDYTVPLGY-FOKLQQMPSA-N	465.491	3.920	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2)c2ccc(Cl)cc2)cc1	408922813	SOJYYYJETLLGIO-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409064318	OVKLRKOQGVLVGP-OYKKKHCWSA-N	463.450	3.777	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1OC	409109845	MPCHNBWLYAVTBR-JVWAILMASA-N	499.564	3.574	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c1	409151353	AUUVGPKONPRLCX-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(I)c1OCC	409311784	ICEVUAKXLMZPCW-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)c([N+](=O)[O-])c1	16284652	PHOGUKIFGHLEGN-YDZHTSKRSA-N	493.314	3.574	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1	19949232	XQJKJCCSBOBBEA-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1	58913653	RSYICFCUARIYRP-JVWAILMASA-N	476.533	3.758	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)c1	408744716	GPNHQMZGLMNOTR-AUWJEWJLSA-N	475.295	3.865	50	40	JHGB	
COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])cc(OC)c1OC	409225430	QQJQOTQQWURJMZ-QFEZKATASA-N	479.445	3.604	50	40	JHGB	
COc1ccccc1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl	4019916	SIOKFSGJHBFDTD-NRFANRHFSA-N	468.966	3.902	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8721938	NXKGPYMSAUWFCJ-FVLHSZHDSA-N	468.422	3.506	50	40	JHGB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccccc1	9303759	BJADNQJDQYVIOF-OBGWFSINSA-N	459.483	3.834	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)c1	12447008	AZLOSMZFGOCHNZ-ZVHZXABRSA-N	478.343	3.674	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956153	YBVMWKVUEBHKBS-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC(F)F	24990535	LLJDIKWMGPJBRK-GHRIWEEISA-N	453.449	3.778	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl	408676300	HIRNRQFZQFUMNN-WYMPLXKRSA-N	450.322	3.909	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c1	408831555	OEQJRPGFJLLICQ-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(=O)(=O)c1ccccc1	408869357	CDKSSDGCKCZPJH-JVWAILMASA-N	496.976	3.896	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(O)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408936720	ILQYRNZAXOPQAW-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409118559	RFWYAHHOEYYFEK-KOEQRZSOSA-N	451.548	3.983	50	40	JHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(I)c1O)C(=O)NCCCc1ccccc1	409240622	URCCXGTWXDMFTD-DHDCSXOGSA-N	477.258	3.561	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1	409253247	ATFOODNHIWKNGI-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	409326722	NFUHLIUPPWNRQK-IWIPYMOSSA-N	454.504	3.544	50	40	JHGB	
N#CC(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)=C1Nc2ccccc2N1	2659029	CODPDQGKRWFYKR-UHFFFAOYSA-N	492.491	3.524	50	40	JHGB	
CCCCCc1ccc(C(=O)CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	9509392	YGBUYZSQONFKMV-UHFFFAOYSA-N	499.633	3.628	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(=O)(=O)c1ccccc1	20214369	REXJWFIRXLXYEU-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CSc2ccccc2)cc1	59473357	FUPRFGZDZIKNRR-MTDXEUNCSA-N	489.597	3.980	50	40	JHGB	
CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(NC(=O)CSc2nncn2-c2ccccc2)N1	102398443	FQJJTTFZBKCAEU-UHFFFAOYSA-N	477.619	3.863	50	40	JHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCC(=O)Nc1ccccc1	408543411	QYFWRJSRWRJRRO-UYRXBGFRSA-N	471.469	3.957	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1c(Cl)cccc1Cl	408608255	GYUSRJWIBHFLON-BHGWPJFGSA-N	452.338	3.946	50	40	JHGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408772549	MXSUYJPARDARMU-RKTCBMNBSA-N	451.446	3.990	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408882612	PLLGIKOYTZZYTA-YDZHTSKRSA-N	489.893	3.788	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1Br	408908180	UPLIARZQPTZKLB-FBCYGCLPSA-N	483.171	3.574	50	40	JHGB	
C=CCn1c(C)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc21	409001523	IWVWEJOCISFUBG-JFFJSXPNSA-N	484.560	3.847	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccn1	409026511	RBONOBSWKXSJFR-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc(OC)c1OC	409218519	FNLOJUATXHKDGA-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CCC3)ccc1O	2222869	UIXNYLXVMHFFLT-XMMPIXPASA-N	475.570	3.879	50	40	JHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1ccccn1	3025412	DYFXLOMZFOFZHA-YDZHTSKRSA-N	471.254	3.669	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(OC(C)C)c(OC)c2)c1	8811144	CSYMLLQRIKWJEC-SSDVNMTOSA-N	498.317	3.868	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1cccnc1	9634683	YBNNXKGGOPMDDJ-XKJRVUDJSA-N	472.423	3.890	50	40	JHGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCc1ccccc1	12463385	GSYBEEQWWPRJJY-UHFFFAOYSA-N	456.502	3.818	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1	20212987	KTCAWHFGJWGLQF-OEAKJJBVSA-N	451.976	3.744	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20214031	GYDUQKNMJCVGOT-OVVQPSECSA-N	494.573	3.744	50	40	JHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	197616958	JKGSIOYWCHTVEV-JAIQZWGSSA-N	464.529	3.509	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)Nc1ccccc1	408655542	DHWTYGWEPWDJFO-SEXKYXSUSA-N	475.328	3.596	50	40	JHGB	
CCOC(=O)Cn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	408749367	GETYAFLNCZNWTP-QRQIAZFYSA-N	455.514	3.591	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	408778140	BQHRCVOQJNJGBS-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OS(=O)(=O)c1ccccc1	408890962	JCRDAEBSYIDURZ-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3c(O)ccc4ccccc34)c(C)c(C#N)c2=O)cc1C	409051699	DRHYGEHVEGAHBB-MUXKCCDJSA-N	451.486	3.652	50	40	JHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(N2CCOCC2)s1	2636733	AJTALFCSVWBUEU-PCLIKHOPSA-N	451.548	3.693	50	40	JHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118476	XVNWPXHGLFUQQB-SSDVNMTOSA-N	475.286	3.573	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12275517	BNWSIQTVAVNJCP-CJAUYULYSA-N	482.558	3.754	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	15225335	BMWLPTCPVVUAJE-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1C	20233329	QHCBGVDNCDZAQF-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1	20347764	WWCUGPBXXYQBRT-DEOSSOPVSA-N	475.570	3.909	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1C#N	59459485	RSOODGUXJNPYDT-YSURURNPSA-N	459.344	3.823	50	40	JHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	101735640	JEMCGGSTFDFDSB-MZJWZYIUSA-N	459.502	3.671	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)ccc1OC	408727365	PUZFIGUJYNIZJV-ONUIUJJFSA-N	481.574	3.824	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2c3ccccc3c(C)c3ccccc23)c(=O)c1C#N	408999069	JWZNONMQNPHDCK-IPPBACCNSA-N	452.514	3.940	50	40	JHGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OC	1267206	QFKPDVMPNZGTNS-OAQYLSRUSA-N	465.531	3.511	50	40	JHGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Br)cc1	33671522	HSKWVUOFXRFEKB-LGMDPLHJSA-N	493.361	3.808	50	40	JHGB	
COc1cccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	35409516	MVZZLWSWXPLVRR-MYYYXRDXSA-N	471.966	3.690	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)C2CCCCC2)c(C)c1	108088131	LYBSACCUQOISOR-MYYYXRDXSA-N	486.594	3.994	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCC(=O)O	408566983	CARQDUSNLBVLDL-FSJBWODESA-N	476.576	3.556	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408777002	SZDNJVDVLNKHCE-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409009133	WRMRNONDTBSOEC-DICXZTSXSA-N	477.517	3.559	50	40	JHGB	
CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409170251	TZSZIIABUBPMPF-RVRSLOCESA-N	494.508	3.943	50	40	JHGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(Br)c1	1051684	ZLVYJLIFVZLNTJ-DNTJNYDQSA-N	470.121	3.990	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)c2C)cc1	2162920	VFWZJJUYCNPYPZ-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
Cc1sc2nc(SCC(=O)NNC(=O)c3ccccc3)n(Cc3ccccc3)c(=O)c2c1C	2660778	CMGJPGHEPKFTPR-UHFFFAOYSA-N	478.599	3.676	50	40	JHGB	
COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OC)c1	2736999	MODSVLAPVWICBY-CSLLEYCNSA-N	459.502	3.634	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3282853	SRYQTSPVJCDHMU-FSJBWODESA-N	457.895	3.633	50	40	JHGB	
CCCC[C@H](Br)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1	3885300	VAVVIAOWQRDAPK-INIZCTEOSA-N	455.378	3.786	50	40	JHGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1cc(Br)ccc1O	6166599	YJHDPMUDAINQRK-VROXFSQNSA-N	483.347	3.743	50	40	JHGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	13476012	WYWLLDUVXLWAEE-WBRUJLFDSA-N	463.519	3.644	50	40	JHGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19952536	GUYXONSAAJTGIL-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3nc4ccccc4n3C)c2C)cc1	104756068	VHCJDLAIPLUMHZ-JVWAILMASA-N	457.534	3.850	50	40	JHGB	
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)c2)cc1	408681678	IDXPLXDJFDINGC-MUJBESKKSA-N	469.335	3.757	50	40	JHGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1	408840459	BJTZLBPJTCRCGV-UHFFFAOYSA-N	483.278	3.684	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1	409054040	LYQJNZXSBCMRBW-FSJBWODESA-N	450.476	3.626	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409264474	KKROVBDXTUUIGA-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc(OC)c1OC	9013743	BKRCGPPCLPJNHH-MRXNPFEDSA-N	471.510	3.562	50	40	JHGB	
CN(c1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1)S(=O)(=O)c1ccccc1	20232949	KYLVDKSYMHORRT-MFKUBSTISA-N	481.599	3.770	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc(OC)c1OC	61992909	JOHSIMWQSZWYTL-FEGPCZTRSA-N	476.577	3.819	50	40	JHGB	biogenic
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1	408608575	HSJYWVULJMVFCJ-IPPBACCNSA-N	499.926	3.842	50	40	JHGB	
N#CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	408746796	HDUVSESOBOQWAL-QQXSKIMKSA-N	464.319	3.738	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1	408775588	IXYIDLWAPCLHKM-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC(=O)O	408795058	JYKKZXCFZHOJRJ-RIYZIHGNSA-N	475.295	3.865	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(I)o1)C(=O)NCc1ccccc1	408851852	ASBSTLRGKJGHFD-WDZFZDKYSA-N	457.065	3.870	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	408861339	CFJHFBHEXMIARM-OVVQPSECSA-N	473.533	3.690	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccccc2)cc1	408908608	WPGPKDOLMWHMRG-HAVVHWLPSA-N	457.577	3.883	50	40	JHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1)c1ccccc1	409220949	IFWKMNPEUSIDGQ-WPBJZHHJSA-N	476.270	3.539	50	40	JHGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OC	1267205	QFKPDVMPNZGTNS-NRFANRHFSA-N	465.531	3.511	50	40	JHGB	
CCOC(=O)[C@H]1[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762050	BSWWHGFDLXIWBC-GOABUJGWSA-N	481.858	3.873	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1F	9110681	LNYHGIOOGJTLAX-NHCUHLMSSA-N	481.549	3.942	50	40	JHGB	
CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H](CC[C@H]4C(C)=O)[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@H]14	256440474	PSLJWFDKICJBAP-QJYZDDRVSA-N	452.547	3.932	50	40	JHGB	in-vitro
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2C)sc2c1CCCC2	408781875	CORJGBMVNLQWLG-AQTBWJFISA-N	453.564	3.587	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OCC	408968931	CYODDVKNDYLQOY-NLRVBDNBSA-N	487.622	3.734	50	40	JHGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	409056538	GZHQVFQHEIAJOC-DHRITJCHSA-N	477.373	3.730	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1	409185978	UFGTWDMTOPKMBJ-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)cc1OCC	409217726	AQHADBGMOCXCHN-UHFFFAOYSA-N	491.500	3.540	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)c(CSc2nnc(C)s2)c1	2420556	XZIBDFDBQHTUSK-FSJBWODESA-N	485.591	3.635	50	40	JHGB	
C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC	8812449	NBKXSNUZKWGUJE-WSDLNYQXSA-N	466.250	3.605	50	40	JHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(NC(C)=O)cc3)c2)cc1	9097033	YVLMTSRKDMQVOJ-JQMRRPHZSA-N	456.506	3.813	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1	12377620	VCGAKNVBSYIHOV-GHRIWEEISA-N	459.980	3.783	50	40	JHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)c3ccccc3Br)cs2)c1OC	12986564	KVPGEZJJMIAGMJ-UHFFFAOYSA-N	462.325	3.665	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59500464	WJYHGVCOFBVVRA-OYKKKHCWSA-N	478.417	3.885	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226393626	HURKDGJKHYMIHD-LSILWGBJSA-N	463.553	3.631	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc1O	408738628	STBQECXIJMMLOA-ZVDFNDOMSA-N	486.528	3.870	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408745069	JLIKXJRWISTVDW-ZSOIEALJSA-N	475.295	3.564	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)cc1O	408910959	MICLDDLNTRFZBQ-MFKUBSTISA-N	469.335	3.940	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	409003563	SRXSHGSWJSTVBU-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1OCC	409185512	ZNMBHTAGRFJNBI-ZVHZXABRSA-N	482.002	3.752	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1	649963	BFGMZUXRUQSFAO-DEOSSOPVSA-N	497.515	3.869	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1	649966	BFGMZUXRUQSFAO-XMMPIXPASA-N	497.515	3.869	50	40	JHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	2100553	QRGZLYRCKYLXJV-YSGZUTGPSA-N	479.566	3.924	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C)S(C)(=O)=O	2176157	VZFMVYJBHSYOLZ-CVKSISIWSA-N	470.570	3.712	50	40	JHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3cc(Br)ccc3O)cc12	2210273	QWXWEXWPITYHLI-BHGWPJFGSA-N	488.338	3.661	50	40	JHGB	
COc1cc(SC#N)ccc1NC(=O)N/C=C1\C(=O)N(Cc2ccccc2)C(=O)C(C#N)=C1C	16693808	VQXJKDFICLTJKF-UNOMPAQXSA-N	473.514	3.683	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccccn2)cc1Cn1nc(C)c(Br)c1C	20294338	FPEARZXLTMWMQM-VCHYOVAHSA-N	480.366	3.938	50	40	JHGB	
Cc1ccc(CN2c3ccccc3C3=C([C@H](c4cccnc4)C(C#N)=C(N)O3)S2(=O)=O)cc1	20558584	CKPDKRRUCJMJCX-JOCHJYFZSA-N	456.527	3.917	50	40	JHGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	27017171	BEOSDPJWSGAXSD-MNJKBJKMSA-N	490.585	3.538	50	40	JHGB	
CCCCCCn1c(O)c(C(=O)N/N=C(\C)c2c(O)c3ccccc3[nH]c2=O)c(=O)c2ccccc21	101157613	RMHXZJYTVXXBOH-MUFRIFMGSA-N	488.544	3.989	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OC)cc(OC)cc2OC)c(C#N)c1C	408546307	GHCBGILHTVHFLP-VGOFMYFVSA-N	454.504	3.849	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1I	408747697	RQRQRZISMVRBCM-QGMBQPNBSA-N	459.627	3.625	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408773191	PVOBKYZYKOJCLI-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1	408798563	VXPROTSFXPIRGO-CXUHLZMHSA-N	472.881	3.924	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408859967	WIBSGYRJDMOAOJ-MYKKPKGFSA-N	470.869	3.883	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2)c1	409267482	VWLKYFFPIDLJNG-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)N/N=C/c1ccccc1	1785412	UPOXEVKVMYDIBN-SSVJFZKPSA-N	490.585	3.896	50	40	JHGB	
O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	23017403	UKOCCWZOKSCJCH-UHFFFAOYSA-N	487.940	3.773	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	35362136	KRUDSNNZQYXOJV-AFUMVMLFSA-N	462.462	3.905	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1	58926089	ZTAKSMVUJADKPE-AFUMVMLFSA-N	485.949	3.768	50	40	JHGB	
CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	59443749	RWZHUJBTTLSVLA-LGUFXXKBSA-N	472.611	3.561	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1	408874928	GHTWXPGQKNEYFP-YZSQISJMSA-N	467.522	3.736	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(I)c1OCC	409388659	WBDNRPSSLCSOGZ-WSDLNYQXSA-N	467.307	3.651	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccc(OC)c(OC)c1	2318534	BRHXRCQSTWJQCI-RESQAUMJSA-N	455.540	3.873	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(Cl)cc1	3664121	SIFAZGYOFWJEKJ-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1Br	12137273	OMOFFKBTBOGYNQ-UHFFFAOYSA-N	461.356	3.865	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CCCN(c4ncccn4)C3)c3ccccc3n2)cc1	12849518	ACHAWULBBSETOH-FQEVSTJZSA-N	466.545	3.678	50	40	JHGB	
CCCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(O)c2ccccc21	100174095	WUEADWGFDOVIRS-CVKSISIWSA-N	467.522	3.687	50	40	JHGB	
CCC(Cc1ccccc1)=NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12	254737058	WVJQTMDJTRUZPB-XMMPIXPASA-N	467.529	3.519	50	40	JHGB	
COc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408749184	FHOHIENIOJKNLI-MFKUBSTISA-N	469.335	3.853	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OC	408760009	PXLNXOPASUDILP-LPYMAVHISA-N	475.286	3.863	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccc(O)c1	408873526	VJNWYWLIKLPHQF-ODCIPOBUSA-N	453.307	3.903	50	40	JHGB	
CCOc1c(I)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409127108	GRTQHWPTCBNPKQ-INIZCTEOSA-N	466.275	3.513	50	40	JHGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCOCC4)c(F)c3)oc12	409135154	VASWXYWDGIUHJH-WYMPLXKRSA-N	476.302	3.944	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1	409161796	ZIBXEWICQCETNR-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409224382	JTFOYWQUKUQTAT-BZLLCWLBSA-N	490.428	3.894	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	8772208	WKFKJYDCTLEMQP-UHFFFAOYSA-N	459.527	3.777	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1	19926314	CIKULWUNUWSZIK-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CN(CC(=O)N/N=C\c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc2ccccc2c1	33700330	ZSLQOLYMBFOJNQ-FMCGGJTJSA-N	450.347	3.917	50	40	JHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)CCC1=O	408650323	MIPBDBOTFGBQPW-KRWDZBQOSA-N	451.281	3.866	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1cc(Br)c(O)cc1O	408711977	TVXTWALBQWRKFH-QGMBQPNBSA-N	475.080	3.619	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	408728278	YYXRIGIDSRMLQR-KOEQRZSOSA-N	484.509	3.778	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1	408776922	SRZRZOCTGRQMCA-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1c(C)cccc1C	409268856	BPLSIXHMKIYSOK-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc2ccccc2oc1=O	649823	RUQUOLXFMLEIJM-KRWDZBQOSA-N	458.470	3.601	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(I)c1	903855	WOACEJNIVHRBAP-UFFVCSGVSA-N	463.275	3.619	50	40	JHGB	
COC(=O)C(C(=O)OC)[C@H](Br)[C@@H](Br)[C@H](Br)c1ccccc1	1716474	BNZPJJVZKBTFON-WOPDTQHZSA-N	486.982	3.612	50	40	JHGB	
C=CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(F)cc1	2747563	SAFSWLVGJCQLSO-DHRITJCHSA-N	485.541	3.538	50	40	JHGB	
O=C(CCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	3083734	DDEDRYVOMGMDPR-XHQRYOPUSA-N	480.160	3.592	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC	6166381	VCDSGHWGXFRBNE-ZRLHMFCCSA-N	468.579	3.701	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(Cl)ccc2C)cc1	8451793	QXVQFWIGYKKDNO-AFUMVMLFSA-N	456.955	3.697	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12	8771117	ZRWAADFHHAEZFQ-KRWDZBQOSA-N	472.570	3.780	50	40	JHGB	
CCCCOc1ccc([C@H]2[C@@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19816402	OPNSQROIYSQIMR-OFNKIYASSA-N	475.549	3.756	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1	19850385	BRHAHRWMYXBSMZ-IKYYHTQUSA-N	466.523	3.789	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)c1	408656654	GCWAKBSOYUKIHL-WTGUMLROSA-N	489.355	3.905	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4Cl)n3)o2)cc1	408980469	WUPYFKGTDAYIMO-DHRITJCHSA-N	478.896	3.581	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC	409027179	BNGXHBINNQTNCQ-WNIQNGNASA-N	497.573	3.801	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028330	LFPARTLDSDZAJC-XUANBZSPSA-N	455.511	3.923	50	40	JHGB	
COc1cc2c(cc1/C=N/NC(=O)c1cc(Br)c(OC)c(Br)c1)OCO2	409052710	LRKXOSKXECKNMD-IFRROFPPSA-N	486.116	3.721	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(O)c2)Cc2ccccc2Cl)cc1	409074574	VNLCVMGGXPZYOH-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cn1	1818376	AIKLIXNMGKNEGA-YYADALCUSA-N	463.335	3.876	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(C)cc3)c3ccccc32)cc1	2206629	WKUQELLHXUHOOH-VHXPQNKSSA-N	450.498	3.745	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)Cc2ccccc2F)cc1	15225352	VVFSZATVEYGJCZ-VULFUBBASA-N	457.502	3.614	50	40	JHGB	
Cc1csc(Sc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cc2[N+](=O)[O-])n1	18053913	RBBMPIVIJQDOAD-GFCCVEGCSA-N	476.511	3.879	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1Cl	19951759	VVINUINYNKEGLH-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccccc1	19952180	SGHVABDNZJCCGS-PCLIKHOPSA-N	487.965	3.790	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1	20493135	AMWPCSBZTFUFBM-NLRVBDNBSA-N	481.574	3.830	50	40	JHGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)cc2C1	24309415	MAOJYVDNIHTTGR-HNNXBMFYSA-N	458.543	3.647	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC	408825731	BUEXFHYVLYOGRW-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1	409261036	AGWYLUPLTLIIPJ-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1	2626890	UWXQOBHOFSNNNN-UHFFFAOYSA-N	453.911	3.734	50	40	JHGB	
N#CC(C(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)=C1Nc2ccccc2N1	3277193	UMLSGABLWBOHLR-UHFFFAOYSA-N	467.894	3.867	50	40	JHGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1	8851625	YLURESZHCTUUGE-UHFFFAOYSA-N	487.965	3.598	50	40	JHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N32)cc1	12276065	JDVHMQUIHKWVMH-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	12768930	DJIFWDYMZWSFLC-UHFFFAOYSA-N	484.386	3.859	50	40	JHGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3Cl)c3ccccc32)c1	46084814	ZYDHMEFEZPXFJT-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1	408764272	LXMRTCBDGOHOAV-SGCYSOCQSA-N	484.534	3.616	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408814442	FUBSDNONOJOCAZ-ZROIWOOFSA-N	476.245	3.997	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccccc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1	408866627	HGRUZWXRKNDZTN-BRJLIKDPSA-N	459.289	3.605	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409012994	LVZLODGUJPLFDM-WGOQTCKBSA-N	469.538	3.566	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	409063301	KFQDKVRHLKWKBN-WGOQTCKBSA-N	465.575	3.653	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2ccccc2)c(C)c1	409144661	ZFAFQILPPGTCNB-CVKSISIWSA-N	465.575	3.659	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Br)cc1	1790850	YERYFJWUOUYCCD-QUWSGOTNSA-N	456.365	3.930	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)c(OC)c1	2330605	MMQHRBIQDLCMAA-QGZVFWFLSA-N	452.492	3.831	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1	6474614	SMUCLFGCQXOMGD-UHFFFAOYSA-N	479.949	3.847	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	9444757	CTHLEONUZLXNHM-SFQUDFHCSA-N	459.980	3.701	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250411	HJWFVZNUDHMTNU-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccccc1-c1ccccc1	12898305	QQMSFQACRMELDS-UHFFFAOYSA-N	465.937	3.743	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NNC(=O)c1cccs1	13063168	VRFIMDSZNBWWPL-UHFFFAOYSA-N	470.963	3.654	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1	28215200	ZGSMDGMPUHUZAX-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
O=C(NN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21)c1cc(-c2ccccc2)n[nH]1	33014820	ZTWGFEWPQLUNSM-CJLVFECKSA-N	463.497	3.535	50	40	JHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C)S(C)(=O)=O	58853649	KGBMEIVPYWLVOB-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCC(=O)O	59104816	PVIOVKIBFJYHFZ-NDENLUEZSA-N	459.502	3.634	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1OC	101560373	SFEWFJBXZYVRTB-WCTVFOPTSA-N	480.609	3.685	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)c(C)c2)cc1	408774776	XWTHTGYSFYHDCY-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1	409175144	QPPVJVYIZASBCZ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)c(Br)c1O	409250535	QVPWFPIYONQWCS-ZBKNUEDVSA-N	460.097	3.758	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1OCC	409332022	FPWFZRFSPNGCHH-ZMFRSBBQSA-N	477.945	3.554	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1NS(=O)(=O)c1cccs1	6131744	XCUZAOJYLVPYGX-KEBDBYFISA-N	480.911	3.580	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1	19816858	OKGIDJKTHYRFIW-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
CCCOc1ccc([C@@H]2[C@H]3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19851751	MAXMYAHSMRPBOQ-NZQKXSOJSA-N	475.549	3.756	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1	408664945	QAWCLRBCWNFRGB-JVSBHGNQSA-N	489.355	3.905	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408788845	MLDAVNGVWUBXAZ-MHWRWJLKSA-N	469.291	3.802	50	40	JHGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21	9282738	JUKVOXBSYMCFBM-DCBAJMHUSA-N	469.545	3.756	50	40	JHGB	
CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc2c(c1)OCO2	10038184	GEMXNZNAWAUYRY-UHFFFAOYSA-N	474.469	3.827	50	40	JHGB	
O=C(CCCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O	16990618	WLKAPPKBZOTPRS-ASIDMNOUSA-N	451.310	3.565	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19951594	AJLQQIVUKLNHEY-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1cc(S(=O)(=O)NN(C)C(=O)[C@@H]2Cc3ccccc3[C@@H]2C(Cl)Cl)cc(C)c1F	95676338	NVCMURRHBHLJAB-SJORKVTESA-N	459.370	3.854	50	40	JHGB	
O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)NNC(=O)c1ccccc1	97664261	IZUYXFOGUKRSTJ-QNGOZBTKSA-N	474.517	3.764	50	40	JHGB	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2	107950494	GVQFHQLALIVEQY-LFIBNONCSA-N	463.519	3.789	50	40	JHGB	
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc(OC)c1OC	408603297	FNRWHCKJQCGFKT-FQEVSTJZSA-N	477.546	3.736	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1	408761670	KONOGUKHALNLOK-WSDLNYQXSA-N	493.335	3.891	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1	408857065	MQGDFGVBZMHWOM-JXAWBTAJSA-N	472.501	3.787	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	408879332	FCVAAUBXIWNXLL-WPWMEQJKSA-N	497.548	3.745	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OC	408960316	DTHWTHJDYDTVAZ-AWQFTUOYSA-N	495.229	3.727	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2cccc(O)c2)S(=O)(=O)c2ccc(Cl)cc2)c1	408972182	NDFONMPJBKLNBH-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)n1	409116731	LDWHXCASRHAKFL-NHDPSOOVSA-N	452.452	3.825	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2C)c(O)c1Br	779679	QZEHDXHSDNBFIR-DNTJNYDQSA-N	472.133	3.763	50	40	JHGB	
O=C(COc1ccccc1)NCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	2282810	SXIAYJRRGUWZOS-MZJWZYIUSA-N	496.361	3.673	50	40	JHGB	
CCOc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1Cl	2767917	HLJZLACOZLCXES-ZVBGSRNCSA-N	473.698	3.925	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1	8811076	WYTWQXVGPABQDA-ZMOGYAJESA-N	452.467	3.792	50	40	JHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	12599756	YJXRFRZAVHNTSP-UHFFFAOYSA-N	480.318	3.880	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=O)c1C#N	13943064	ASSXNTGLIIKQOM-XODNFHPESA-N	466.582	3.626	50	40	JHGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	15018779	NXLXRJUWJKYJCW-CVKSISIWSA-N	482.378	3.964	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Br)c1	16479459	IVHHCIOBDPMSNJ-BUVRLJJBSA-N	486.391	3.790	50	40	JHGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1	17244473	OKBNLHQTPAYTQQ-OKILXGFUSA-N	462.572	3.859	50	40	JHGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)NCc4ccccc4)cc3)nc2s1	20331908	QAGAWNAOUBNUBB-XDHOZWIPSA-N	471.542	3.516	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(Br)ccc1O	27497272	ZBAKKRNWJOIDIB-WYMPLXKRSA-N	450.292	3.773	50	40	JHGB	
O=C(N/N=C/c1ccccc1F)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21	33957431	GPGJEJUNCOOXHD-VLYCYYSFSA-N	474.529	3.521	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408779659	GZRQUGXSSIVLRS-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccccn1	1474510	NFYJQZCHUUWRKT-DHRITJCHSA-N	494.378	3.729	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OC	10476114	ZOUBNHUDSCVFRW-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NNC(=O)c1ccccc1F	12806770	NYOYJNPRLPXESC-UHFFFAOYSA-N	480.565	3.979	50	40	JHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccc(Br)cc1	72231279	VKECLJKABLIOLQ-FSJBWODESA-N	454.280	3.877	50	40	JHGB	
O=C(CC(O)(C(F)(F)F)C(F)(F)F)[C@@H](CCCl)C(O)(C(F)(F)F)C(F)(F)F	73242328	KCSCCVGBCPYEOH-SCSAIBSYSA-N	452.619	3.902	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c1C#N	408604089	SHMNRTFKTHBYDL-KIBLKLHPSA-N	489.370	3.735	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408771848	KOMPXQJXKDAMDD-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408785503	GQEASWRQIDFLSY-YDZHTSKRSA-N	461.927	3.596	50	40	JHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OC)cc1OC)c1ccccc1	408981954	WRRRGVTVUDSZJQ-YXUUZYBBSA-N	478.343	3.794	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@H](NC(=O)OCC)c1ccccc1	409003049	QWSWQTPTPAXDTK-WWJLXRQJSA-N	472.339	3.789	50	40	JHGB	
O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	409058179	IVUXYXSPLQKPJV-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1	409111820	CXDLNLIRKWWZFP-KOEQRZSOSA-N	450.564	3.650	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccc(C)cc1	409227514	PSIZBQRLOOIPAL-PXNMLYILSA-N	458.312	3.837	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1OC	409256022	NKPMKHKEEINSAH-RWPZCVJISA-N	492.507	3.503	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	409259163	WYMGUKFCWOKCKT-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)ccc1O	1427527	MDYVEHMDLYAFKX-ODCIPOBUSA-N	471.149	3.796	50	40	JHGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	2282560	PAKUPYGEIFKNLE-WYMPLXKRSA-N	456.296	3.501	50	40	JHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21	6280501	ZWNQLHGUWPADMM-GZTJUZNOSA-N	450.926	3.911	50	40	JHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1F	8721847	ZUZNGRMJFSFMTD-QFEZKATASA-N	459.930	3.820	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1	13804977	ZLHQHOUKJVVJIG-AFUMVMLFSA-N	496.984	3.917	50	40	JHGB	
CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N/NC(=O)c1cc(Br)ccc1O	100590562	IFNWGTRTAPTGRG-QQTULTPQSA-N	467.323	3.891	50	40	JHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408899911	RVOCWLVBBFDAHW-FOWTUZBSSA-N	494.441	3.816	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1OC	409018548	XESPCFLWEBHGCP-JVWAILMASA-N	476.533	3.551	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	2752868	CSQBAKWKADTEFG-HUSFYUSLSA-N	465.539	3.615	50	40	JHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	3147481	WWYNIWHOGLOKHH-UFWORHAWSA-N	455.106	3.640	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	8819725	NXCZBTSIQUGRHT-CYVLTUHYSA-N	498.586	3.818	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1	16267349	KCKWHFHXSPJKPE-JVWAILMASA-N	479.602	3.962	50	40	JHGB	
O=C(/C=C/c1ccccc1)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	22938737	XFCJKZUDKOPNMT-WUKNDPDISA-N	468.601	3.645	50	40	JHGB	
O=C(CCCCC(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O	104371576	WLKAPPKBZOTPRS-QEUMEHMPSA-N	451.310	3.565	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1	408775078	YOFFIHJLGUSGQU-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408831591	OKWFDJIYCPXCDQ-YZSQISJMSA-N	499.976	3.847	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2F)NC(=O)C[C@@H]1c1ccco1	409146626	UYWRASNKPVABIN-NSHDSACASA-N	450.289	3.892	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)[C@@H](NC(=O)COc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-]	2121936	AKMJCLLJXUCJOH-PODSUIKTSA-N	462.506	3.726	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/C=C/c2ccccc2)c1CSc1ccc(Cl)cc1	2451860	KWCLJLPPXOETRR-NTJMOUOKSA-N	480.941	3.607	50	40	JHGB	
CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4)c32)cc1OC	4165398	JJCJXHBXKPKHPW-QHCPKHFHSA-N	487.560	3.859	50	40	JHGB	
CCCCN1C(=O)[C@]2(C=C3c4cc(OC)c(OC)cc4CCN3C(N)=C2C#N)c2ccccc21	8995411	HTGFCVJJGSKILI-HHHXNRCGSA-N	456.546	3.695	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1Br	9543188	JAOSRMCAMARAPK-HXUWFJFHSA-N	479.334	3.589	50	40	JHGB	
O=C(CCc1ccsc1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	14240119	YMYVCLPWJCRJDC-UHFFFAOYSA-N	463.968	3.596	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OCC	20215021	ASFGXBZVJGSFNO-PCLIKHOPSA-N	469.563	3.554	50	40	JHGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)c1	46084828	ARNBDNWQNKZZAJ-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)/C(C#N)=C\c2ccccc2)c1	97994595	SVHRSAGJAGNRLP-SILNSSARSA-N	452.580	3.863	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OC(C)=O	408763488	FUFISIDJICLRQC-SSDVNMTOSA-N	496.301	3.696	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C)C)cc1	408764275	LXMRTCBDGOHOAV-YQNSVDCASA-N	484.534	3.616	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	408773939	KFUXNFFBGATNSM-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408965919	JYXJQGRXOCTHJG-RGEXLXHISA-N	464.547	3.686	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Cl)c1O	409002880	QBUQUYRBRPDOBL-SAMQYFKISA-N	477.945	3.614	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	409028375	MMVKJZQBTSVYRS-WNIQNGNASA-N	497.573	3.801	50	40	JHGB	
CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409170254	TZSZIIABUBPMPF-XZVVGHKBSA-N	494.508	3.943	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409258298	VYWUKSXHWGJOBR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
C=CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409310963	CYBXETZMODGXHP-UUYOSTAYSA-N	496.301	3.646	50	40	JHGB	
COc1ccc2c(c1OC(C)=O)-c1cc(OC(C)=O)cc3c1[C@@H](C2)N(C(=O)CBr)CC3	1568697	SXQYTJGRWVCLLC-GOSISDBHSA-N	488.334	3.590	50	40	JHGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)Cn3cnc4ccccc43)cc2OC)cc1	3324388	MLQLBZWLDLVQOV-CCVNUDIWSA-N	472.501	3.561	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)ccc1O	9272502	DZZCSOBKJGDSIQ-FSJBWODESA-N	459.959	3.965	50	40	JHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c(C)c1	9344982	GOVRQEXVOPTEGL-HMMYKYKNSA-N	460.534	3.942	50	40	JHGB	
O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	9442463	HEXHXUNGGNNTNG-UHFFFAOYSA-N	459.980	3.885	50	40	JHGB	
CC/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1)c1cc(F)ccc1O	9562542	UDTLALKKRJXTPG-NJNXFGOHSA-N	471.510	3.885	50	40	JHGB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	9590657	XPYYXUNNZNDIJR-UHFFFAOYSA-N	488.525	3.510	50	40	JHGB	
Cc1cccc(-c2nc(CC(=O)NNC(=O)[C@H](C)Nc3nc4ccccc4s3)cs2)c1	10675355	JGSZBRKSKYSWEF-AWEZNQCLSA-N	451.577	3.919	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1	20060452	RTSLEFREKZSTQP-WGOQTCKBSA-N	461.543	3.918	50	40	JHGB	
COc1ccc(CC(=O)NNC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1	28223007	PSFZRTNZVLSYPR-MHZLTWQESA-N	482.540	3.502	50	40	JHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(Br)cc1	101052769	DPJPUAWHKXUMBT-NNYUYHANSA-N	465.967	3.876	50	40	JHGB	
C=CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409132939	YPOUDSVXCRSDJP-SFHVURJKSA-N	476.270	3.788	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C	409161325	SWLCOUASJIYCJF-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409262361	HBNIISNPNLKYBS-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	409263633	LSBGUQZSLGHNFE-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccccn1	1001392	NOJSSZIFXQTCJI-JFLMPSFJSA-N	457.563	3.867	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1O	1089220	VTLDBRXQVANPQL-ZVHZXABRSA-N	460.372	3.916	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c(OC)c1	2349288	SVMDJLJCTWPLOI-SSDVNMTOSA-N	490.383	3.504	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	9088778	ZFDPWQKAXFNLQF-SFTDATJTSA-N	481.530	3.654	50	40	JHGB	
CCOc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc(OCC)c1OCC	12912797	RRQNONXBWHNJDD-UHFFFAOYSA-N	478.549	3.632	50	40	JHGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(C)cc1	13787690	AOVVDQCDAKXBSU-XIEYBQDHSA-N	476.566	3.686	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	16186367	ADMHGYYZFSVJKD-OVVQPSECSA-N	499.036	3.790	50	40	JHGB	
COc1ccccc1CNC(=O)COC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	25425211	JQTNLQQEJLCITN-KNBKFLTOSA-N	450.373	3.835	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc(Br)c1OCC	108972222	VNKPLEMJCDDQDG-SRZZPIQSSA-N	466.288	3.927	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c1	409165879	BGCHOLWEGNEHRZ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	409258455	XCMOTFQELHMLTF-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)c1	409272382	YKTQLCHHRTWPIF-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)nc1	819782	UGABKQZKMBNGMO-JFLMPSFJSA-N	463.490	3.653	50	40	JHGB	
O=C(COCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	9934478	URXIDHSNOQMEIW-UHFFFAOYSA-N	461.562	3.732	50	40	JHGB	
CCn1c(NNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc2ccccc2c1=O	11161885	MPQVKCFWLCLXJI-UHFFFAOYSA-N	475.574	3.738	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Cl)cc3)C2=O)cc1	13539843	JBSZWJIQPUYPQU-ATVHPVEESA-N	459.980	3.701	50	40	JHGB	
C/C(=N/OCC(=O)N/N=C(\C)c1c(O)ccc2c(C)cc(=O)oc12)c1ccc(Br)cc1	16266760	NJAUHAOKUDAHKP-QPIYCKBPSA-N	486.322	3.851	50	40	JHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	20100766	UKSMDJUCWKEELZ-DNTJNYDQSA-N	488.132	3.551	50	40	JHGB	
COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)ccc1OC(=O)c1cccs1	20929831	GLUKLRVWBLBLCB-ZXVVBBHZSA-N	492.601	3.638	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(I)c1OCC	34720474	PUGIZOIDUSORPI-WSDLNYQXSA-N	498.317	3.870	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58914271	OPUIZGOCFWMGIZ-WKIKZPBSSA-N	458.349	3.953	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	58918362	RETFGEHCWWSJPG-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	100479241	GOVAJHMBFMFYIF-LPYMAVHISA-N	465.378	3.896	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408616384	YJRBUVQZEVWTIW-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2cccc(C)c2)cc1	408779528	XSWUWSRGTSOMRD-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1	408925179	NJHBJOYVLVKQQK-CVKSISIWSA-N	499.976	3.841	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc(Br)cc(Br)c1O	409096934	LOTSKVLGJMJEBQ-SRZZPIQSSA-N	483.160	3.518	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409170950	YGUTWHRXNHSNMV-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NC(N)=O	409238514	APWRLYPIMDUZRY-XGICHPGQSA-N	452.667	3.922	50	40	JHGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)SCCS1	409366816	YUMSICZTBAXNNF-FRKPEAEDSA-N	454.209	3.954	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	877814	XGISQOCXIZESJY-XMMPIXPASA-N	475.501	3.536	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1	925170	ZVZSTKUYYPJPMY-UHFFFAOYSA-N	471.586	3.779	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1	2202255	IXYUKMBZAWYSED-FCQUAONHSA-N	454.461	3.576	50	40	JHGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccc4ccccc34)nnn2-c2nonc2N)cc1	2324377	WBGPJFXYMFLLMT-JFLMPSFJSA-N	482.504	3.605	50	40	JHGB	
COC(=O)N/N=C(\CCCC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C#N)c1ccc(CC#N)cc1	8655653	VYPZXJBFPDJLPG-DAHPUBHSSA-N	462.466	3.789	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2sccc2C)cc1	9056948	CDTZHMNAHLOVBI-LFVJCYFKSA-N	455.605	3.749	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(I)cc1	10118564	XVFSVDRHKYJPGK-CAOOACKPSA-N	474.052	3.726	50	40	JHGB	
COc1ccc(C=NNC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1OC	12082392	BPIXBFINZJMHSJ-KRWDZBQOSA-N	456.502	3.792	50	40	JHGB	
CCCn1nc(C(=O)NNC(=O)c2csc(-c3ccc(Cl)cc3)n2)c2ccccc2c1=O	12983596	RBPXHWRPMVRUPD-UHFFFAOYSA-N	467.938	3.658	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1O	16688775	OLSCQCYYEWLQTN-CVKSISIWSA-N	485.537	3.584	50	40	JHGB	
COC(=O)N/N=C(\C)[C@@H](CN1CCOCC1)[C@@H](c1ccccc1)c1cc2ccccc2oc1=O	31841750	PGQGAVVWIXPQMZ-MZNOBMATSA-N	463.534	3.605	50	40	JHGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	58880922	QPAKTXDVEUNVCV-UXHLAJHPSA-N	486.572	3.637	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1	408782644	IHBQDJHJISQDSA-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(I)c1O	1055659	TWTPKSPYNFWNJK-UFWORHAWSA-N	489.107	3.597	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	8820538	GKONXXSOTJKGPF-JXLMVQBASA-N	496.570	3.594	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1Cl	9703457	HAAFLLQUTOPOCI-XFBJJFJZSA-N	466.877	3.858	50	40	JHGB	
CC(C)n1nc(C(=O)NNC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c2ccccc2c1=O	17197320	JQSQJZPVINYCFB-ALOPSCKCSA-N	486.663	3.741	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(OC)cc1	33383117	XAVUNESGFUDEHZ-YSMPRRRNSA-N	492.488	3.784	50	40	JHGB	
COc1cc(OC)cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1	112295128	NKRLDPFKZJQZGP-QJOMJCCJSA-N	456.502	3.663	50	40	JHGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl	408610170	MOWZDXFORMANBH-GZIVZEMBSA-N	459.127	3.531	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	408772582	DCGQDKITKVYTNA-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccccc1O	408851536	KXNMVAUMYUCHKU-ODCIPOBUSA-N	453.307	3.903	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408868392	OGRGFRWUHFRIOL-WGOQTCKBSA-N	469.538	3.959	50	40	JHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	409114780	LCSVHDCNHVXFQY-WGFYCLKKSA-N	451.548	3.914	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc21	409329586	GISKKHQRRZKEMI-ZXYOZABUSA-N	470.554	3.571	50	40	JHGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)cnc2s1	1784422	ATNSEAWFMOKABW-UVHMKAGCSA-N	476.558	3.758	50	40	JHGB	
Cn1cnnc1SCC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1	2395866	ZVSQXGLJHLODQU-LSFURLLWSA-N	478.347	3.538	50	40	JHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC	9392131	HUUMFVVEUUSZGP-LFYBBSHMSA-N	490.266	3.691	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)cc(Br)c1O	15228603	APEOJPDMZAGVPZ-AFPJDJCSSA-N	479.128	3.995	50	40	JHGB	
COc1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1	19799057	PIYXUFYPKBDAEV-UKILVPOCSA-N	495.539	3.766	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	19956944	ZOBDAIKSMMTYSH-KOEQRZSOSA-N	451.548	3.815	50	40	JHGB	
COc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2cccs2)n1CCc1ccccc1	23473290	KQEBREDCBRZHDC-UHFFFAOYSA-N	493.614	3.811	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O	408775320	GALXHHHVFJTMNC-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	408778686	WNFFMERWKWHIRU-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1OC	408872214	BFFAVPNZLYWMRM-HYCPDRRQSA-N	456.324	3.975	50	40	JHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408908138	UFMNPUGCFHLHNN-FOKLQQMPSA-N	472.394	3.945	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408925340	PJDAJKIMFCEEKG-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1	409012389	JSLMEZWPXKKBDM-ZMOGYAJESA-N	485.518	3.977	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409167135	HIFACHAJQPHKPP-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409234798	MMJLVSZPGMMKKX-KDVQLTRESA-N	473.323	3.794	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc1	409256890	MRFFFDHGXXSMPR-OGLMXYFKSA-N	488.544	3.754	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)ccc1OCc1ccccc1	409309795	MNLUOLYTUXCLMK-QDTIIGTASA-N	497.935	3.564	50	40	JHGB	
Cc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820456	WTANDXZBZHHOGI-UZYLVVNOSA-N	451.573	3.604	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccncc1	9763375	KCSITEAOUQZTOK-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	9882678	NUERMYKBSWWTNK-ZMOGYAJESA-N	461.869	3.714	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	13401414	GGEIHSZNKZNINM-DEDYPNTBSA-N	475.505	3.655	50	40	JHGB	
O=C1C(NNC(=O)c2ccc3cccc(O)c3c2)=C/C(=N/S(=O)(=O)c2ccccc2)C2=C1CC=CC2	101181454	WWDNCHSNTGNMFS-WMMMYUQOSA-N	499.548	3.723	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408848748	TTXQOCLUSMRURJ-ROTLSHHCSA-N	455.898	3.983	50	40	JHGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1cccc(Br)c1	408851504	ZWSOBEBYOUAFSZ-GRSHGNNSSA-N	472.137	3.797	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC	408991215	PUDBVXCWYUOITA-HRMYGOSUSA-N	493.564	3.585	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(C)c2C)cc1	409028435	MHVGDQFVWHVONH-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1Cl	409170426	VPKZELITPDSVHF-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c3ccccc32)o1	409389243	AQBUTESOPJNPJS-ROTLSHHCSA-N	476.445	3.507	50	40	JHGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CCC2	1422440	UHPZHYORPDNPFR-HSZRJFAPSA-N	476.334	3.564	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccs1	3117970	GLERMPTUXJGMEH-LGJNPRDNSA-N	485.949	3.900	50	40	JHGB	
C=CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1	3192012	YLLRVLJVDQXPFR-UHFFFAOYSA-N	473.027	3.670	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	3413124	IYYHNTQXLHZOSM-JVWAILMASA-N	454.534	3.689	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC	20764717	KFLFOGNJASYKMZ-FSJBWODESA-N	479.327	3.562	50	40	JHGB	
COc1ccc(C(=O)NNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1	23295919	IPRWEHDAIHUVBO-UHFFFAOYSA-N	475.574	3.956	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(=O)n4nc(C)sc4n3)cc2)cc1	41108876	HHCDQKPLEOTBIA-WOJGMQOQSA-N	457.515	3.893	50	40	JHGB	
COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)NNC(C)=O)c1	199417714	RYDMJASSTFMNHT-AREMUKBSSA-N	468.513	3.556	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Cl)cc1Cl	408614939	KAJWQUHUDIQMIO-UVHMKAGCSA-N	496.391	3.962	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	408777772	IJGWIWBUHIUNKH-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)c(C)c2)cc1	408825996	BXUCIVPZEGABLF-OGLMXYFKSA-N	490.585	3.860	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OC(C)C	408963690	AHKPGZQKMGXTNF-AUEPDCJTSA-N	481.265	3.862	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1cc(Cl)cc(Cl)c1	408971471	OZUDROQKSDQEGP-CGOBSMCZSA-N	459.083	3.573	50	40	JHGB	
CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1I	409023586	HYGWUOUANPLTGK-FMCGGJTJSA-N	475.286	3.767	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1	409207890	CCOBGQARBRGGTN-FMCGGJTJSA-N	451.395	3.853	50	40	JHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1	409227412	YJURSMWJISUFHB-WUXMJOGZSA-N	468.229	3.878	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1O	19948193	ATBCMGQPXGUXDR-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
COc1cccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC	26675928	YJOSXKUNONZXJW-VWNXMTODSA-N	495.539	3.766	50	40	JHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1	34719616	DDHDFLWNHNBYNL-AWQFTUOYSA-N	469.133	3.943	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)sc(N)c1C#N	36487768	AOCVCLARJCQEEY-IPKBDRFQSA-N	458.135	3.505	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1	58880927	MARXSHXMGRNYCK-LQKURTRISA-N	488.544	3.925	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1	408802893	IXCFKJVVKOPGLA-CJLVFECKSA-N	455.514	3.979	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408990640	XTGRDPUSRLMIDA-SAAWKEMMSA-N	473.341	3.754	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2C)cc1C	409026087	FUFAEPUZCNDINW-AFUMVMLFSA-N	497.577	3.535	50	40	JHGB	
O=C(N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cc(-c2ccccc2)nc2ccccc12	409048352	WETLONCKCTYONU-FVRIDUAPSA-N	493.548	3.682	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)c1	409168947	OBPSOHCQUYTGLF-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
O=C(CSc1ncnc2sc3c(c12)CCCC3)NNC(=O)c1ccc(Br)cc1	888510	FGPLUGLFHNKTDW-UHFFFAOYSA-N	477.409	3.886	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1Br	1445058	FREQYVOVVGMUFS-WYMPLXKRSA-N	454.280	3.836	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cccc(N/N=C/c3cccc(OC)c3OC)c2)c1OC	9096987	WNHJLZWUJQOULS-JQMRRPHZSA-N	462.506	3.931	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1	9233107	KLFDCLQWBUOCHK-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CSc1ccc(Br)cc1C	9508787	REGFVKQHDDXOBL-UHFFFAOYSA-N	461.385	3.609	50	40	JHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)c1	408589318	LISORORMILTQOI-UVHMKAGCSA-N	462.506	3.562	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1	408907823	SUPGQIUDFYCEAE-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408955284	XXSWMIGYAHLSKX-MYKKPKGFSA-N	470.869	3.883	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)O	408963512	OFIDIONCULUQLU-LIMNOBDPSA-N	475.217	3.704	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1c(C)cccc1C	409254675	FHFSZQNGVGFKMC-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(I)c1O	409363186	KCYDBQKWVXJCAD-MTJSOVHGSA-N	452.292	3.651	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)cc1	2438491	WYAHTKHFOQYSFW-GOSISDBHSA-N	467.547	3.940	50	40	JHGB	
CCN(CC)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	6078491	CYLJMNPOJQPAMH-QGYQQZFISA-N	470.205	3.815	50	40	JHGB	
Cc1cc(SCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)cc1Br	9096942	WGHYLSJCPMUPQQ-UHFFFAOYSA-N	463.313	3.539	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)c(OC)c1	9334297	ASLXCYBZCYNMNU-UCQKPKSFSA-N	484.538	3.523	50	40	JHGB	
O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	9508769	VEYPPEKHVHESLZ-UHFFFAOYSA-N	469.466	3.643	50	40	JHGB	
COc1cccc(CCC(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1OC	12554704	HIAKVUALNDADIV-UHFFFAOYSA-N	456.502	3.708	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19926357	CCSQGPKRXRJQDY-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	20930961	KHBJAXRPMWMWGO-BRJLIKDPSA-N	479.436	3.681	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408607067	BOQCXUDQGLIHPD-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	408849733	XYSJKXSGHKMQQG-WRDGEJPTSA-N	456.502	3.627	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1	408898582	XEDJDTKRHFXCJO-ZVHZXABRSA-N	474.922	3.645	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(C)cc2)cc1	408906294	FTSIOMKCRNMDLH-OEAKJJBVSA-N	457.577	3.719	50	40	JHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)S(C)(=O)=O)cc1	409026698	VKQJODRADXIHJW-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	409080264	MNERZBLRDBMSRZ-WGOQTCKBSA-N	463.515	3.797	50	40	JHGB	
O=C(N/N=C/c1ccccn1)c1nn(Cc2ccc(Br)cc2)cc1Br	1086937	DVABKZCFJQNYDI-ZVBGSRNCSA-N	463.133	3.615	50	40	JHGB	
O=C(CNC(=O)c1cccs1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	2281536	OFUDNRAQCJIGMG-WYMPLXKRSA-N	472.364	3.970	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2C(=O)c2ccccc2)cc1OC	3321006	FIOBGRRBGPODQI-JVWAILMASA-N	454.486	3.884	50	40	JHGB	
C[C@H](NC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2	9850675	SLBGXGYQDICITC-NSDYXAQKSA-N	476.415	3.711	50	40	JHGB	
N#C/C(=C\c1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccco1	13659597	JJCSSRNISBSCHS-PTGBLXJZSA-N	493.567	3.970	50	40	JHGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	36597422	LKINIYIINJWXBB-CURYZJDOSA-N	492.626	3.862	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccs3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100774427	HXBCXXIMAVRSRY-JAHGVPKISA-N	479.595	3.896	50	40	JHGB	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C1=O)O[C@@H](CCCl)C(=O)c1ccc(F)cc1	102511979	MLTAOUIQYIXOOB-MAJKQMIXSA-N	497.950	3.974	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(C)(=O)=O	408857499	HHLCXNHCRMTQOY-JFLMPSFJSA-N	496.633	3.944	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1	409025972	CHFIZUKWPYJVCZ-WNIQNGNASA-N	497.573	3.801	50	40	JHGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc(OC)c1OC	409219094	IWUCAAFPEKQIRF-QFEZKATASA-N	479.445	3.604	50	40	JHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccc(Cn2cccn2)c1	1081784	GPHIFPVXVUXNEV-UFFVCSGVSA-N	478.144	3.926	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1CN1CCCc2ccccc21	2748695	NAXSDMVLSHNDKL-DHRITJCHSA-N	482.382	3.908	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccncc3)nnc2-c2ccccc2)cc1	8575719	DCVNAINMTTVZJC-YZSQISJMSA-N	458.547	3.970	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccc1Cl	9235729	HIAGEBDHRSKLCL-ZMOGYAJESA-N	482.957	3.641	50	40	JHGB	
N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cccnc1	12374805	WDKGCLHMEQWAPE-GOSISDBHSA-N	454.559	3.905	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1	13978945	QNQLGVZNLIWXJP-UHFFFAOYSA-N	481.359	3.538	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	17268148	SVRJZRGKCUCRJQ-UHFFFAOYSA-N	470.879	3.830	50	40	JHGB	
COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	33335756	LEQXFTIBAKDVMC-IWIPYMOSSA-N	486.309	3.686	50	40	JHGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1OCc1ccccc1Cl	59536214	SFJYCASUVQPZFD-DNTJNYDQSA-N	459.671	3.534	50	40	JHGB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)c(OC)c(OC)c1	103918363	KJNPXTZRUNALNQ-STZFKDTASA-N	470.501	3.563	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408962600	IGVAGPDSJPKTCQ-PGGKNCGUSA-N	489.244	3.792	50	40	JHGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)NS(=O)(=O)c1ccccc1C(F)(F)F	3771032	VUIGKFHSHKHOHT-UHFFFAOYSA-N	462.759	3.788	50	40	JHGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CSCc1nc2ccccc2s1	9466438	DYHXSUPGHBTSCT-LBPRGKRZSA-N	480.409	3.907	50	40	JHGB	
CCC(C(=O)N/N=C/c1ccc(Br)cc1)C(=O)N/N=C/c1ccc(Br)cc1	14920271	LLHPQVVKNYZYMW-LCHFAGMQSA-N	494.187	3.838	50	40	JHGB	
Cc1c(Br)cc(NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1Br	15133429	LSYRTBFPZYEXGY-QPSGOUHRSA-N	469.133	3.811	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1	33737309	DIWVFVAWTVSVFY-XYGWBWBKSA-N	467.547	3.567	50	40	JHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1OCC(=O)Nc1ccccc1C	408605363	JWUPOWDWHOSWON-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408608586	HTCJIAMOAKVAQP-YHXLMIJNSA-N	484.767	3.971	50	40	JHGB	
CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408831236	QGRZCGYNRQUETK-AQTBWJFISA-N	469.950	3.977	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(=O)(=O)c1ccccc1	408859839	UDSAHBUFCORKCK-TURZUDJPSA-N	492.601	3.943	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	408872630	HSZDAAVMMMOVQZ-BRJLIKDPSA-N	459.289	3.605	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1	409062757	AJXYFWSDAWMWSC-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccccc2)cc1	1273263	OQECEXWWXMZWNT-AFUMVMLFSA-N	475.530	3.597	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	2412883	TXMQGTHDVHRWAE-GHRIWEEISA-N	466.925	3.817	50	40	JHGB	
O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	10735716	SVSLAKAAKLQAER-UHFFFAOYSA-N	476.327	3.508	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cc(Br)cc(Br)c1O	59138265	YVCDNDHLZPRMLQ-DJKKODMXSA-N	457.122	3.874	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2)cc1	59435419	NWNGDBDVGYGNQV-MFKUBSTISA-N	471.966	3.690	50	40	JHGB	
CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21	100492055	LXSVKFGDHKNANM-FLFQWRMESA-N	482.587	3.830	50	40	JHGB	
O=C(NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)/C(O)=C/C(=O)c1ccccc1	100796151	IBTXYXKVFVDHMA-STZFKDTASA-N	485.323	3.702	50	40	JHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1	408732767	YOBCXRHPWAGPHL-RGVLZGJSSA-N	468.377	3.608	50	40	JHGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCCOC)c2C)sc2c1CCCC2	408802109	DAXIQFRGZHNRTN-QGOAFFKASA-N	455.580	3.881	50	40	JHGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12	408951140	LRAWPSLIFCKJRB-DHDCSXOGSA-N	457.271	3.744	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc1	409011034	DIUUVWDNXZSTGT-VKMIRQPFSA-N	489.959	3.609	50	40	JHGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1O	409027954	HEBAMKUUZIMUHW-WLXKGNRNSA-N	467.547	3.879	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	409150757	DPTHSCDQBONKPH-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409154327	GSSJSKZLTRWRAP-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)cc1	409161030	SPOTXVPBXYAUPQ-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1	409169522	RJQBRWDRBNNGPQ-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)c1	409184802	NRVPNXKNHNCAQT-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OCC(=O)Nc1ccc(F)cc1	409243011	UIGXMMJQBCPLCN-VYYCAZPPSA-N	453.445	3.684	50	40	JHGB	
C/C(=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	8780807	HLIWCNLJBLSXBW-MTJSOVHGSA-N	487.270	3.664	50	40	JHGB	
CCOc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2	9160872	MTGNQXVOWODLAT-UHFFFAOYSA-N	478.512	3.978	50	40	JHGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	9410226	DQXWZOGFBDJZHE-HMMYKYKNSA-N	451.470	3.675	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OCC(N)=O)o2)cc1	33870240	JYAUDHKJPGOTPQ-FDVSRXAVSA-N	486.528	3.894	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	59333042	QQTMHQREQIILJS-UYRXBGFRSA-N	483.952	3.546	50	40	JHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)[C@@H]1COc2ccccc2O1	100056961	PNDDVDGPXBJINX-XIPYDIPCSA-N	492.329	3.656	50	40	JHGB	
Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1C	409017495	RTRICWYRTRPZLV-LHXREVONSA-N	494.508	3.598	50	40	JHGB	
O=C(NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cc2c(s1)CCC2	14886545	VZXXOQJBLNPRMW-UHFFFAOYSA-N	472.920	3.982	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	33697628	QTMPRUMHCLONRT-QRVBRYPASA-N	484.375	3.930	50	40	JHGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1	36020366	MXHQRUHLOYGANJ-IFRROFPPSA-N	486.120	3.696	50	40	JHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	59435860	LICSZQWUIACNIZ-ZVHZXABRSA-N	486.937	3.589	50	40	JHGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)cc1)OCc1ccccc1	408738612	SPTLUNDVOWAEAG-XZZBMYDMSA-N	456.502	3.861	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	408776641	YARCPMBAHARGEP-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1c[nH]c2ccccc12	409330628	BYGHGDBJVLPTKG-AUEPDCJTSA-N	483.897	3.526	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1	3321559	WWCUGPBXXYQBRT-XMMPIXPASA-N	475.570	3.909	50	40	JHGB	
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1	3644285	AKWXOTWKGBPKJQ-ACSPXDACSA-N	458.518	3.614	50	40	JHGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1	4130974	JADSHQZJOWQBDE-BRJLIKDPSA-N	452.850	3.817	50	40	JHGB	
COCCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1	20170635	PUZCUIWBHAVIIV-QFIPXVFZSA-N	467.547	3.846	50	40	JHGB	
COc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC	26642033	WGCYSNZQQDRSOL-QWKGGRSRSA-N	475.545	3.812	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1	31875819	XOOLRGKAORNKJI-QFEZKATASA-N	473.514	3.845	50	40	JHGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	58880917	LMNLSPADNRYMEL-JVWAILMASA-N	458.518	3.916	50	40	JHGB	
CCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	139122218	GMCIPXFBZOICOX-OBRKIGFESA-N	450.329	3.543	50	40	JHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)cc1	408711878	ORDLTJOTGUKUGT-XKZIYDEJSA-N	482.318	3.790	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)c2C)cc1	408863120	LFSNPTSVJJOENP-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2C)ccc1I	408959520	AGJRRQJPACZTOX-XKZIYDEJSA-N	463.319	3.972	50	40	JHGB	
CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c(Br)c1	9805759	OTJZCWUWHVGTBO-UHFFFAOYSA-N	463.372	3.914	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N32)cc1	12275519	BNWSIQTVAVNJCP-IQGLISFBSA-N	482.558	3.754	50	40	JHGB	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc(NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc1	16185859	LXTBFSMZVZUETA-FEHORTKBSA-N	476.716	3.744	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1	19937051	FOSLUZLRZYTJFH-JJIBRWJFSA-N	464.503	3.740	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c(C(=O)OCC)c1C	408546970	PTSDENKXWDGMLP-MHWRWJLKSA-N	455.488	3.827	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1	408763154	HWAGWZGSGZYEIW-BUVRLJJBSA-N	483.502	3.834	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2)cc1	408980282	QGEHRODBWNXKAI-PSQINSSGSA-N	464.591	3.621	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409250456	MCXWSSFYWBZJLF-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1	409266695	RDITWCYMCLQGKY-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)Cc2ccccc2)cc1	651079	IIAPDWSTKRBFSL-UHFFFAOYSA-N	471.586	3.649	50	40	JHGB	
Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)c1C	3035659	JHOPXYOBNIDKEQ-UHFFFAOYSA-N	495.171	3.988	50	40	JHGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	3115634	DHKWTOKHDQBRTF-SSDVNMTOSA-N	488.250	3.699	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1F	9109725	YWQRGRVHELYBSO-WOJBJXKFSA-N	487.940	3.979	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19937049	ZOQSVCNTMJATQD-JJIBRWJFSA-N	464.503	3.740	50	40	JHGB	
CCc1sc2nc(SCC(=O)/C(C#N)=C(\C)N)n(-c3cccc(OC)c3)c(=O)c2c1C	22287073	PAGWESPTUVPEJD-DTQAZKPQSA-N	454.577	3.744	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	408773863	TZSPXTHAXYLRPC-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	408789987	PJKIPFMULXUIKQ-RGEXLXHISA-N	498.377	3.647	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1	408867531	KJCBQUBHEFLMGN-YZSQISJMSA-N	481.574	3.828	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	408882446	NEHPZDKBLZGCIG-HYARGMPZSA-N	482.400	3.544	50	40	JHGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Br	409138096	ZWBHNXWOVGQBBP-NRFANRHFSA-N	484.394	3.844	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812387	ZBZLAISAMMOPGA-SRZZPIQSSA-N	454.239	3.768	50	40	JHGB	
COc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c2cc3cc(Cl)ccc3n2C)cc1	9850089	DEFXQHSZWIGXGE-AWEZNQCLSA-N	456.930	3.656	50	40	JHGB	
CCN(NC(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1)c1ccc(C)cc1	13112184	BJPRFKQKUSULBI-QFIPXVFZSA-N	493.633	3.979	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OCC	24539398	WORRMZMBZXEKRL-ZVHZXABRSA-N	482.002	3.752	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	59435875	ZBYZBDMAVIYKBM-WGOQTCKBSA-N	473.957	3.863	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OCc1cccc2ccccc12	408995947	CCUCARGMYHBDIJ-MIXAMLLLSA-N	473.573	3.938	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1	409019286	IOBXXOVNYYRXKM-MUFRIFMGSA-N	484.512	3.790	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2c(F)cccc2Cl)cc1	409062342	SGUGZRSLMFDUJV-LGJNPRDNSA-N	474.945	3.524	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409165801	AEPMLFHROOMFDG-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(OC)c2)cc1	409222673	DBBFSIHSSGLAKA-YSMPRRRNSA-N	490.472	3.935	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OCC	409337541	YTGVYOFIRIJSPK-NHDPSOOVSA-N	484.290	3.567	50	40	JHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC	9068974	UPIAOLIYZQMGQV-CVKSISIWSA-N	473.489	3.703	50	40	JHGB	
CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567602	MWHAXMANBNDYQD-MHZLTWQESA-N	453.546	3.933	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	58900561	BEOUCIHHRUYLQI-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408614875	JCZOVPQDCDNAPX-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC(C)=O	408753499	NBVONWSNJDWBNF-JFLMPSFJSA-N	457.486	3.629	50	40	JHGB	
COc1ccccc1NCc1nnc(SCC(=O)N/N=C/c2ccccc2O)n1-c1ccccc1	673265	YTHAZEQQAJCLGV-JFLMPSFJSA-N	488.573	3.836	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OCC	954750	LDRIRJDPRWRRJA-ZXGJNYTGSA-N	468.579	3.531	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1cccc(Br)c1	3102723	JFXAJFFKJSRQNS-PGLVWIQMSA-N	453.292	3.852	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250408	HJWFVZNUDHMTNU-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	19948137	NAZSPMJYQUAUEU-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)c(C(=O)OCC)c1C	408546665	LZWHBGOTYJWPFR-OQLLNIDSSA-N	457.504	3.843	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1	409009802	IFEHAZOXWZNIMT-YUMHPJSZSA-N	460.534	3.608	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1	409028182	ILIFHMXKONLKAI-WGOQTCKBSA-N	479.558	3.650	50	40	JHGB	
CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(NNC(=O)c3ccc(Cl)cc3Cl)S2)cc1	2389179	HJWYGYDKOKEUQF-MRXNPFEDSA-N	481.361	3.653	50	40	JHGB	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	3221029	WFIVXCHVRLOLGD-VULFUBBASA-N	473.510	3.724	50	40	JHGB	
O=C(N[C@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	12375905	BFXQMTQSYYSVDM-HFLRGAGPSA-N	494.338	3.851	50	40	JHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(I)o2)c(Br)c1	20100987	DJNSFAYZMOJPEO-WSVATBPTSA-N	477.096	3.793	50	40	JHGB	
COc1ccc2cc(/C=N/NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)c(Cl)nc2c1	20215049	FYZHKQWWKHOCML-VULFUBBASA-N	496.976	3.966	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc(C)cc1	408779325	VDBALZJDNADYIK-HKOYGPOVSA-N	466.519	3.639	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408786270	NSQJBGZCLGZZTO-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC(=O)OC	408793442	OSUAGCORIZWBBL-RIYZIHGNSA-N	475.295	3.651	50	40	JHGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2ccco2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409064859	QLWQRWLEODTZOS-MYYYXRDXSA-N	479.493	3.815	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c1	409156690	UCHUAXOJWUDXIM-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	409174755	ONAXQQDASOBUNZ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	409224606	LHMTZGJMCILDPX-YNNWXXAOSA-N	490.428	3.894	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1	409226849	WEDAVMMDADHADA-UHFFFAOYSA-N	453.882	3.684	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	9284353	GXNMHDUAOPXJEK-GZTJUZNOSA-N	465.428	3.739	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1	19949847	JCKZPDXWVQFQGI-LFVJCYFKSA-N	486.937	3.984	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	20214207	FJPMICPOBHBLLD-PCLIKHOPSA-N	496.545	3.728	50	40	JHGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Br	21005828	NRKMGRNGHKZOJC-HXUWFJFHSA-N	466.335	3.772	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1	58951801	SWZUSVBFBRQTCG-YDZHTSKRSA-N	454.379	3.853	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc(-n3cnc4sc5c(c4c3=O)CCCC5)c2)ccc1O	408729252	AROHZVSTBSHOAO-WKIKZPBSSA-N	474.542	3.804	50	40	JHGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1Br	408734560	HZPDIRHDUOJMEV-WTWVRAIASA-N	470.161	3.979	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C	409151552	CFHBNQVBUUOPGF-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OCC)c2)cc1OC	409311195	DQTYDROOTPLRGA-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1	9381940	FWEVLMHPVTYCPK-GFCCVEGCSA-N	466.535	3.895	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1OC	9805360	JQJLIDRAKLRQOF-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1	13765831	GVKRBTJIZCQGMJ-RGEXLXHISA-N	471.579	3.831	50	40	JHGB	
CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccnc1	17440281	BCYSDRBLLFDUKH-JOCHJYFZSA-N	496.552	3.827	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	19953053	XVDOJMWKOIMAEU-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccccc1C(F)(F)F	58914297	ACTGDFZNPIVYBA-NUJZUDFISA-N	457.456	3.665	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	408882444	PYHIDRXHMMFKGA-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	409031473	AUAJQBWWZQVXGA-SFQUDFHCSA-N	487.512	3.737	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1	409163065	LJMBSVDGKYTCNL-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NC(N)=O	409240227	PBXOVFIJNHAFDF-QPEQYQDCSA-N	479.128	3.892	50	40	JHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	409316189	XYUCQXHWTZPLEB-KRWDZBQOSA-N	455.923	3.837	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1ccncc1	8820201	RXLGKWGDTOVQCJ-JXAWBTAJSA-N	489.022	3.958	50	40	JHGB	
CC(C)c1c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1	36760704	GYGAHEDHRVZFSG-CYBMUJFWSA-N	479.434	3.777	50	40	JHGB	
O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NC[C@H]1CCCO1	58882699	TYGYYQGXBIPXKW-TZMKENEKSA-N	471.557	3.643	50	40	JHGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(CC(C)C)CC(C)C)c3ccccc32)cc1	95202418	XIVOMVATBMMZLQ-FVDSYPCUSA-N	450.583	3.676	50	40	JHGB	
O=C(N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	101666822	HDDYNQURCVRKEM-MTJSOVHGSA-N	451.351	3.967	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(I)c1O	408756560	STQXKTFCOSOKQI-NTUHNPAUSA-N	464.259	3.950	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc(OC)c1OCC(=O)O	408850937	GRNVXNWUIYEPMU-KSEXSDGBSA-N	471.560	3.739	50	40	JHGB	
C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)N/N=C/c1ccncc1	2741724	OXLOBDIZLOQODT-AXNZHVIBSA-N	457.563	3.905	50	40	JHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1Cn1cccn1	12276058	REQFAFDRHKXCFR-NLFFAJNJSA-N	476.533	3.722	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC	20240424	MCSQSSAESBXIEX-VUTHCHCSSA-N	472.589	3.786	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3cc(Br)ccc3c2=O)cc1	27467885	BBGSYUIAXQOYRH-FOKLQQMPSA-N	456.296	3.733	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	408780526	CVIVBZIHQHRELB-BUVRLJJBSA-N	466.003	3.953	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c2ccccc2)cc1	408979817	OQEYTBLESVAHNG-ODDBZWQPSA-N	499.976	3.937	50	40	JHGB	
O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)NCc1ccccc1	409161346	TYTZFXKNUOXJGE-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1	2078304	BXJUTKFWPUOXAO-ZVHZXABRSA-N	471.922	3.830	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccc(I)cc2)cc1	3096666	ZOUBRVXQVOGNTB-FYJGNVAPSA-N	452.292	3.999	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1	6136573	YJZQSQVVQXACQV-UHFFFAOYSA-N	465.579	3.877	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19926364	PYKRAFQZFOKHQN-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c(OC)c1OC	33926963	GVYZTEWGOPYXIT-JJFYIABZSA-N	470.394	3.553	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)ccc1O	409027698	GKLQGTOUEWSGJE-YZSQISJMSA-N	481.574	3.699	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)Cc2c(F)cccc2Cl)cc1	409073906	UMCSASMRULNZQR-LGJNPRDNSA-N	489.956	3.834	50	40	JHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O	409133995	OFNGWSWNODKDRD-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OC	1083927	JPXNETMTCVSGAB-KPKJPENVSA-N	450.232	3.560	50	40	JHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccc(Br)cc1	1433458	KRARDTQYPNEEJK-LSCMLXDISA-N	453.292	3.852	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c(OC)c2)cc1	15222059	IILDCLRWPCQKSU-GHXNOFRVSA-N	450.232	3.560	50	40	JHGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl	27774864	OCQMCCNMYCANOG-URNNUDQISA-N	484.449	3.954	50	40	JHGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21	46085197	QLRASHHJKDHXRE-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C#N	59427765	YVSOPFQWHVRGRL-KIBLKLHPSA-N	483.868	3.759	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59960177	QXBZXHHGLSKBDC-VULFUBBASA-N	470.957	3.565	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1	408837784	NLVRVWRVEGKHAG-HZHRSRAPSA-N	457.577	3.801	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1	408861721	BZEUZWKUKAHJKV-YZSQISJMSA-N	481.574	3.828	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409222582	CHRFVYVOZZDKJV-WUXMJOGZSA-N	468.229	3.878	50	40	JHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])cc1	409225152	PBUZDNIQNATOSH-UHFFFAOYSA-N	472.379	3.941	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@H]2C1	9241093	DYHASFVFIWHPPG-GMAHTHKFSA-N	453.502	3.730	50	40	JHGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(C(C)C)cc3)nnn2-c2nonc2N)cc1	9497472	KNEIWJJOOJJXBI-BRJLIKDPSA-N	476.566	3.721	50	40	JHGB	
Cc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1	9544555	VWKFNDSFHOMFQK-UHFFFAOYSA-N	458.927	3.916	50	40	JHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	9845927	DGADJOZKCRXEFW-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1O	33614764	SWXKHWRXWKFZRH-MLPAPPSSSA-N	478.242	3.639	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl	102066051	RXFAHDIVTYLKTD-RNJOBUHISA-N	464.585	3.940	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	408763857	PIBJXNRTYIBFLE-QNDYCBLQSA-N	496.427	3.609	50	40	JHGB	
Cc1cc(C)cc(OCC(=O)NN=C2CCC(=NNC(=O)COc3cc(C)cc(C)c3)CC2)c1	408949647	FVADNZBWKQRSBU-UHFFFAOYSA-N	464.566	3.896	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	409004388	CFLMPTXRDVNJNP-ZMOGYAJESA-N	462.319	3.599	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Br	409060400	ZOPXURIZYZLYJM-AWQFTUOYSA-N	488.123	3.625	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1	409163016	KSVFEYPGFWUTJY-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1	409171124	YEFDVAKEIMHSNA-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1Cl	8820391	WQVMENJWJYATKK-NPDFUIFFSA-N	457.964	3.559	50	40	JHGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cs2)cc1	14869642	UJROALQBTZLMFM-UHFFFAOYSA-N	471.482	3.894	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC	20059288	CIHBDZDBXRHMIA-NLRVBDNBSA-N	481.574	3.824	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccc(C)cc2)cc1	408906536	GUMUWUAOALZWPQ-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1C	408913870	URJGDFRPMDDLKZ-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408966829	NRORFAUIXKKDNZ-AUEPDCJTSA-N	479.103	3.998	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c2ccccc2)cc1	408979934	OQEYTBLESVAHNG-WMPMWDHYSA-N	499.976	3.937	50	40	JHGB	
Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1C	408983742	HKRPDSVBRSAOFU-DWCFMXGVSA-N	466.950	3.718	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1OC	409319285	CXATWTBDGWLRCH-OYKKKHCWSA-N	474.922	3.889	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	915821	ZBXURKWTBFCUSA-UHFFFAOYSA-N	471.542	3.768	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc(Br)c1O	4178997	RLHFCBRPMUQNLT-SFHVURJKSA-N	453.296	3.876	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC(=O)N1CCOCC1	9861003	KEZGDRSQVMPIJQ-NRFANRHFSA-N	487.516	3.525	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc1	20197360	GOUQTZQEIXAOME-CIAFOILYSA-N	468.291	3.948	50	40	JHGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1OC	408602400	DIYKSUMVFBMVAD-MUFRIFMGSA-N	495.963	3.745	50	40	JHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C[C@@H](NC(=O)OCC)c1ccccc1	409003048	QWSWQTPTPAXDTK-IERINAHZSA-N	472.339	3.789	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1	409157870	QLBUKOGAVAETNV-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccc4c3OCCO4)cc2)S(C)(=O)=O)cc1C	2648433	ASBITFCUTLUZGM-JVWAILMASA-N	493.585	3.805	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	8762049	BSWWHGFDLXIWBC-RGZYUQRVSA-N	481.858	3.873	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2)ccc1OCc1ccc(F)cc1	9305857	YSXKIVRXXLCPNL-ZNUIVASASA-N	493.535	3.837	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	20212415	KMGZRFKKTVHFQV-DHRITJCHSA-N	455.967	3.817	50	40	JHGB	
COc1ccc(OC)c([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	27241078	KIJSQHNXKYTOLM-ILBGXUMGSA-N	451.530	3.629	50	40	JHGB	
CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1	59444609	RGDMLXQDZZGOKB-UHFFFAOYSA-N	466.401	3.932	50	40	JHGB	
Cc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	408666287	HBQUZDRRAYRNBJ-UHFFFAOYSA-N	475.501	3.510	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)c1	408862126	COEXQNMMIGWSCW-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	409008332	VZXCKBKTPNSXPX-JAIQZWGSSA-N	483.262	3.761	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(F)cc2)cc1OC	409120830	UYGTWWGGHYFDME-BUVRLJJBSA-N	465.547	3.576	50	40	JHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	409268305	YWUFXGHGGYZAMP-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3)C2=O)cc1	8951766	WZKPEQIXLIHYFC-CYVLTUHYSA-N	453.589	3.692	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)c1O[C@@H](C)C(=O)O	9324037	XPFPOXWIDFQCTR-MOSLJXCSSA-N	491.294	3.828	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc4[nH]c(C)c(C)c4c3)c2)cc1	9410032	NGHUWJUBOHEEDO-UHFFFAOYSA-N	492.557	3.669	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCC#N	408882707	QIKOETQIEPJRAC-KKMKTNMSSA-N	489.479	4.509	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1I	408904458	JTYYJKXSNWYNJY-VXLYETTFSA-N	485.303	3.841	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1	409122476	ZKZWHOGKOYCHRA-PCLIKHOPSA-N	451.548	3.734	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)c2cccc(Cl)c2)cc1	409127237	ISEBIEYJSZEIJS-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409213005	NVJFZZSIJHIWQI-DNTJNYDQSA-N	457.733	3.808	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1	409249446	ILVXDQPLTALMHL-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C	1477813	HRMOXFZYJGNRBY-CVKSISIWSA-N	458.543	3.945	50	40	JHGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3C)c3ccccc32)cc1	2346069	NZUXQTDNFCNADM-IZHYLOQSSA-N	464.525	3.787	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	3146654	LXXAMUZKLRTDFJ-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2	9191715	RQOWXSPBTVSVLQ-JOCHJYFZSA-N	452.301	3.944	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC	9885458	DMIRNGGFEKMGSR-NSHDSACASA-N	471.735	3.738	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1	408924989	PVSQLCGBCRXYSP-QGOAFFKASA-N	478.482	3.707	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	408945627	XCNZYFVWBJSKFQ-FSJBWODESA-N	465.959	3.882	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	2020943	GRJBZMHFNNFDEH-CVKSISIWSA-N	463.490	3.737	50	40	JHGB	
COc1cc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccc(F)cc2)cc(OC)c1OC	8456292	QQIJGMMFZRVWSG-WGARJPEWSA-N	452.438	3.835	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O	8819717	ASMPEWVAOZMZET-CYVLTUHYSA-N	469.588	3.615	50	40	JHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(Cn5cccn5)c4)CC(=O)N32)cc1	12275594	YFYBQPXXVZOXKJ-QFQXNSOFSA-N	488.569	3.592	50	40	JHGB	
O=C(N[C@@H](C(=O)N/N=C\c1cccc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	13140615	FWUWEAZKNWCZME-PVYGGJOHSA-N	475.508	3.698	50	40	JHGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19951089	ZMHVQDXSFOZCSL-ZVHZXABRSA-N	490.354	3.934	50	40	JHGB	
O=C(N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	33911400	XOVKJSWCGURAKZ-IVZMSFFOSA-N	464.390	3.585	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)c2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	40486392	YHOLQSIBFIHUPX-NHCUHLMSSA-N	482.945	3.896	50	40	JHGB	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1	196336507	ANRSPPUCDKCRMR-REABXYAWSA-N	478.618	3.758	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OC	408871573	HJCYDDLYAGTUMC-TXUKGALZSA-N	456.324	3.975	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O	408922002	NVCSSTJHMNTZJD-HLNOYYKJSA-N	451.548	3.570	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1	409027160	BBBYNLJOLPYPJX-YZSQISJMSA-N	481.574	3.612	50	40	JHGB	
CCOc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC	409248725	IENKVMRTEQHGTF-UFFVCSGVSA-N	467.389	3.896	50	40	JHGB	
CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CCl)O1	504300650	MUQNGPZZQDCDFT-UMXIXDJXSA-N	454.966	3.889	50	40	JHGB	
Cn1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21	9720538	NPXBZQNPQPLOAO-VTUHAINCSA-N	466.497	3.828	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1C#N	15986143	XCXSRHCYXGJTBX-MRUKODCESA-N	483.868	3.759	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC(=O)OC	408854370	DHOHKMGDKQWYRI-KSEXSDGBSA-N	475.295	3.910	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	408882954	RYANLLYEXNDDOS-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1	409029129	WOPQMFXKQJCQRY-KOEQRZSOSA-N	451.548	3.603	50	40	JHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)c(Cl)c3)=C2C#N)cc1	409313351	BQQBKSFOJKLFMN-HNNXBMFYSA-N	473.913	3.976	50	40	JHGB	
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NNC(=O)c1ccc(F)cc1	2661263	NJLHKBCTFWPNMZ-UHFFFAOYSA-N	467.551	3.747	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1	2774092	FFZDLXVQWPKMRW-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1	33482505	XLNZJDNCNCKVHP-ZMOGYAJESA-N	480.433	3.950	50	40	JHGB	
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	100751844	JAFJTLMZCVSLGT-QFHDERPTSA-N	467.079	3.988	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc(OC)c1OC	408898417	LALPGECIOAQKFE-NTUHNPAUSA-N	464.259	3.863	50	40	JHGB	
COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	409025023	PKJHVGMEZUSYTR-WLXKGNRNSA-N	467.547	3.792	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028328	LFPARTLDSDZAJC-GZPJKGAFSA-N	455.511	3.923	50	40	JHGB	
CCOC(=O)C1=C(C)N2C(=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1)SC[C@@]2(O)C(C)(C)C	2231154	LBIQUSKUSUEYSU-NTKDMRAZSA-N	456.564	3.926	50	40	JHGB	
COCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2	2794264	WLMPKUNBXQEIFS-SJLPKXTDSA-N	498.575	3.812	50	40	JHGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1	17058597	ABAYTSVUBCHWHP-UHFFFAOYSA-N	462.531	3.947	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1O	19949131	YIEFXKKSKBUFOW-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1F	20211721	YECHTERZHKEOCP-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	105237112	HOXLFQWNLBHJEN-CNHKJKLMSA-N	473.077	3.598	50	40	JHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccccc1	408763460	FMDXWWZPLWRFFW-CPNJWEJPSA-N	463.471	3.586	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	408780263	AFJJVBIJMZZXHD-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1	408785741	BKXFANZCTKFHMI-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)c1	409165802	AEXHVJRLRKVHCN-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1	409310202	SBHISZPYJGRLJR-OALUTQOASA-N	470.934	3.798	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	2077039	GTFNZEPXXQPXRH-WSDLNYQXSA-N	480.302	3.946	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	9071323	HWGVORZKWBDUAE-UHFFFAOYSA-N	450.351	3.825	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1OC	12275312	ORSOZSWNMIROIY-UUOWRZLLSA-N	452.532	3.746	50	40	JHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1Cn1cccn1	12276057	REQFAFDRHKXCFR-CPJSRVTESA-N	476.533	3.722	50	40	JHGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	19952321	MKHLNDVFSBHFFW-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1OC	20123717	WGCYSNZQQDRSOL-JTKMEBCSSA-N	475.545	3.812	50	40	JHGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Br)cc1	408638984	DQLRGVFRMRASAG-LLVKDONJSA-N	471.138	3.570	50	40	JHGB	
Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)c1	408656657	GCWAKBSOYUKIHL-YRPNKDGESA-N	489.355	3.905	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	409028376	MMVKJZQBTSVYRS-WYZSWBMLSA-N	497.573	3.801	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccccc1OC	409196534	OZWSTTNTSFNXDT-MEPUESOJSA-N	466.534	3.754	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1O	8916102	OTCZVVFXFNCZNT-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCC(=O)OC	9204747	NTPAHLPFZWMCJA-FOKLQQMPSA-N	483.746	3.746	50	40	JHGB	
COc1ccc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c(OC)c1	9423182	NFWAZTNYYJDXTG-QNGOZBTKSA-N	456.502	3.932	50	40	JHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1	12757643	BIEXSUGGSZCOCK-INIZCTEOSA-N	469.538	3.619	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1	13805507	JUMDFVYMHICJJS-PCLIKHOPSA-N	476.566	3.572	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl	35383913	KIJWQPOYLAEBAD-YVNNLAQVSA-N	454.266	3.536	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC	408754303	MLIPOORICTVVPI-WYMPLXKRSA-N	458.312	3.934	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cc(C)ccc2C)cc1	408778007	OAYHXEOMPKEIIO-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	408987567	FSTUSRQHXAKPTD-ZYMKGWJUSA-N	485.544	3.949	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccc(Cl)cc1Cl	409161572	VVUMEWZSTYRVFY-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1ccc([C@H](C)N(C)NC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1	670042	MOBGPNCIBIDTJC-SFHVURJKSA-N	450.535	3.673	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	6287661	WFQJPXNQHRKPTQ-PCLIKHOPSA-N	452.352	3.901	50	40	JHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)NCCSc3ccc(Br)cc3)ccc21	9470974	XWLNDTHOSORRQJ-UHFFFAOYSA-N	476.400	3.863	50	40	JHGB	
O=C1/C(=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1ccccc1	9762278	UKXMRPVUCIHVPA-BXVZCJGGSA-N	461.521	3.990	50	40	JHGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(COc2ccccc2)o1	16488948	QHZXUSBOWVIMFJ-GOSISDBHSA-N	462.506	3.564	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	16491035	IZNGMLQKUHEMIQ-ZVHZXABRSA-N	451.951	3.953	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1O	19949478	IRAXLMMVVAOIQZ-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1	20209649	HDYVANSQSQIUHY-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
CN1CCC(=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1	20233041	KNGNZVCMHDOPRJ-UHFFFAOYSA-N	476.602	3.894	50	40	JHGB	
COc1cc2c(c(OC)c1OC(=O)CCl)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	22054267	WEFSQURXCINXNO-INIZCTEOSA-N	477.966	3.721	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1	28214687	IALPRMMDJIJWDX-RDRPBHBLSA-N	486.572	3.609	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1O	408677004	OJKGAEGJLYKZCL-LPYMAVHISA-N	479.318	3.760	50	40	JHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408731560	LSWZMCFGXJOEGO-LGJNPRDNSA-N	473.514	3.998	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1	408921601	JJOOHQYYVRKLMY-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(I)c(O)c2)cc1	408955698	YOULNSPPXDBBOB-LPYMAVHISA-N	474.302	3.617	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(CC)cc3)S(C)(=O)=O)o2)cc1	409026231	JLXJPBLEHZLLSQ-WGOQTCKBSA-N	497.573	3.602	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409257748	SBBPOUPGYVZWJA-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OC(C)=O	409313476	BTYXNEUYEMWYOW-UHFFFAOYSA-N	473.283	3.827	50	40	JHGB	
CC(=O)OCC(=O)[C@@]1(O)[C@@H](Cl)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C	4743624	ZJDJNJPERVGYNY-GPKGWDCXSA-N	467.002	3.962	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccncc2)cc1	16712262	JYUPKLPNXKHBBH-VULFUBBASA-N	472.530	3.578	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1C#N	59503529	XFBNIJPHNPJIAW-CCVNUDIWSA-N	474.517	3.525	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	59922251	ATABZYRNNZEWRD-HYARGMPZSA-N	452.001	3.613	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC(C)=O	408764869	NNFGYLXFZVYMQZ-AWQFTUOYSA-N	470.117	3.909	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl	408772803	RIXPVMWXQZLYSI-BUVRLJJBSA-N	466.003	3.953	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	408781157	AZSDUFSNQFXOHB-OVVQPSECSA-N	499.564	3.887	50	40	JHGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1	408913908	VDIMFQQAJJTAPL-WRGIWNTCSA-N	478.574	3.634	50	40	JHGB	
CCOC(=O)c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)cc1	409019072	VQFQCPDYFJYWGH-WMPMWDHYSA-N	473.957	3.577	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)cc1Cl	409259157	XULNMFVTPZNDHN-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2)c1	409273308	XAXQTQBGJLESED-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1	2276366	RKMNJLFCUWFWDX-AFUMVMLFSA-N	459.531	3.896	50	40	JHGB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)ccc1Cl	2419319	YRUQPBRNCORNAG-GHRIWEEISA-N	464.909	3.523	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])c2)cc1	3213826	DKOVFUHHGCCSJM-ZYRLFCFXSA-N	480.502	3.833	50	40	JHGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1	8820595	MXORKDBJFOKXPD-SDEVTQOVSA-N	481.599	3.781	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)[C@@H](C)Sc2ccccc2)cc1OC	12866944	UPKRDBHNURNASY-GFCCVEGCSA-N	453.358	3.798	50	40	JHGB	
CCOC(=O)Nc1cccc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1	14843530	XIXGCLHQBZTLKA-UHFFFAOYSA-N	463.490	3.674	50	40	JHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	32581122	OYJBPVPTROXGMU-JCBHBBAGSA-N	455.562	3.740	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	35623038	BKSWTEHXYXWHIB-UHFFFAOYSA-N	469.690	3.579	50	40	JHGB	
O=C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cccnc1	95537658	MJZWXLJQQBMDMY-UHFFFAOYSA-N	483.184	3.581	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1	103666173	HRMPOAVTOMMZCW-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408611734	RYBJLMZVYRPZBR-BRJLIKDPSA-N	452.338	3.947	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408780682	HZXGJQGQTZDFCB-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-]	408856602	QNTJUPORKQVOSF-OCKHKDLRSA-N	465.203	3.718	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1	408858142	MRTZPRFULHNOSQ-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1	408996416	DNVJHWIKGRUUSK-MXAYSNPKSA-N	466.365	3.753	50	40	JHGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccccc2O)cc1OCC	409063049	GCSHNZPMSPWSTP-CIAFOILYSA-N	468.291	3.948	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	409265302	RZMVEYLTHHBKDX-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OC)c(OC)c1	13882105	ZSYSADVJJDFVCA-AEIQVQRHSA-N	480.594	3.724	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	20232741	WBOSOFDAGUNJFQ-NLRVBDNBSA-N	463.559	3.982	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1	20468096	BAHGJBCXYNXQKQ-NHCUHLMSSA-N	465.550	3.888	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccccc1C	33410131	YTPZAVZUKGGOBC-PXNMLYILSA-N	462.287	3.970	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	33623768	WRTRMPFTTVUROJ-BRJLIKDPSA-N	456.882	3.826	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(SC)cc2)c2ccccc2)cc1	58919041	ZLIQZKZTQPPAJB-LFVJCYFKSA-N	469.588	3.763	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	59417044	ZJMIEHGQSBIBPN-OEAKJJBVSA-N	466.544	3.573	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408782822	JYRIFAYOJSESIJ-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2)cc1	409163703	WQSGVMDXWRPOKX-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl	409254421	ZCQNCLCHBAJOPH-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1	2324699	XCAOZCIANIBJEK-QGZVFWFLSA-N	467.547	3.940	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21	8448768	MEUTXKYBEQXYDC-CJLVFECKSA-N	457.111	3.632	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(c2nccs2)CC1	8750417	QSVZKDGAXIEMTG-UHFFFAOYSA-N	457.383	3.673	50	40	JHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-]	9934466	DBYORVVMDGTHHT-GDNBJRDFSA-N	472.299	3.515	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(Br)cc1OCc1ccccc1F	12364229	OGBBCPAHCMATBW-YVLHZVERSA-N	475.314	3.942	50	40	JHGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)Cc2ccccc2)cc1	59443648	NRGKNNNLXBTLBK-CVKSISIWSA-N	498.992	3.640	50	40	JHGB	
O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc12)NNC(=O)c1ccccc1Cl	408648014	WNDCVBATERSHRN-UHFFFAOYSA-N	467.909	3.606	50	40	JHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677822	VDQXHVOXZWZYIC-FOKLQQMPSA-N	480.746	3.930	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC(=O)O	408806102	ARYNAZXZWOPITQ-NDENLUEZSA-N	450.491	3.509	50	40	JHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cc(Br)ccc1O	408970391	HDMXYRCKRWNPDV-SZMVHAFZSA-N	476.371	3.523	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1	409029014	XCFGGPQOWAPLBQ-TURZUDJPSA-N	492.601	3.808	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C)c2)cc1	409219719	UFBIXWNRUBDTLX-QFEZKATASA-N	460.446	3.845	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cccc(C)c2)cc1	2176219	HHEZKNBNYQEFLD-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	9265265	JYLYZLVQPWDMMH-WSDLNYQXSA-N	473.283	3.704	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(=O)c1ccco1	9289391	MVOKCJDEKIEKCR-YDZHTSKRSA-N	457.280	3.963	50	40	JHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567605	AHNRISDCSQUWDN-HHHXNRCGSA-N	451.530	3.709	50	40	JHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cc(Br)ccc1F	19861426	ZFNGYLKPLBIWCR-WYMPLXKRSA-N	467.770	3.510	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	408923884	HRYCLKZAMFIRTK-MOROIOLQSA-N	465.575	3.642	50	40	JHGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Br)cc3)c(C)c(C#N)c2=O)cc1	409058376	XLWWUFATIQRQOK-MXAYSNPKSA-N	464.323	3.501	50	40	JHGB	
CC(=C(C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCN(c2ccccc2)CC1	2040536012	UUMXSKZCMZHFIQ-UHFFFAOYSA-N	489.523	3.731	50	40	JHGB	
COC[C@H]1[C@@H]2CC(=O)O[C@@H]2[C@H](I)[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1	5045568	PRABNDOFJAIZJF-JZTRKIHISA-N	492.309	3.891	50	40	JHGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	9424569	WWEGIRPAFPFDIB-LVZFUZTISA-N	466.497	3.761	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30838837	BTLACWMHFFLRIN-WGARJPEWSA-N	477.473	3.969	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1O	32581129	AMAOQXVLJPGSMP-HNWARBAXSA-N	472.545	3.778	50	40	JHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1	408662007	MSTJFJIVXZTXGI-WTGUMLROSA-N	489.355	3.905	50	40	JHGB	
N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccc(Br)o2)c2ccccc21	9448394	SEHUDUHNLHNXDU-MNDPQUGUSA-N	467.323	3.916	50	40	JHGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1C	13779305	IPJYGMMYTVJXSD-ACSPXDACSA-N	458.518	3.614	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cccc2ccccc12	19955143	PSHBJENMGNYYAR-LPYMAVHISA-N	460.353	3.519	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc(Cl)c1O	35189305	QVFIHMZEMDSMEY-HOCGEZQUSA-N	455.298	3.869	50	40	JHGB	
CCc1sc2nc(SCC(=O)/C(C#N)=C(/C)N)n(-c3cccc(OC)c3)c(=O)c2c1C	104862605	PAGWESPTUVPEJD-SSZFMOIBSA-N	454.577	3.744	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408684769	NZDHVPDYIQKWQO-VWQYPGANSA-N	473.298	3.588	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Br	408761712	BAWCJLKLNAMRMJ-DJKKODMXSA-N	487.091	3.743	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	408779621	GMDKATLPJDVGHL-MFKUBSTISA-N	496.545	3.566	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(Br)c1OCC	409251601	AOSIWPAZXDSOCE-HURLIOHXSA-N	492.345	3.889	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	1092063	DXSYNKHELJQLLV-XKZIYDEJSA-N	472.299	3.765	50	40	JHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	4081811	LNSHYQJVMWQMBI-XDJHFCHBSA-N	450.336	3.717	50	40	JHGB	
CN(C(=O)c1ccccc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1	13075009	ZLZWISYFRXURQH-UHFFFAOYSA-N	452.470	3.962	50	40	JHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)CCC(=O)c2cc(C)sc2C)cc1OC	17065303	ZJZMGMGSSQIGSH-UHFFFAOYSA-N	483.384	3.959	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1	20060211	USJATSIMLRSRPL-CVKSISIWSA-N	499.976	3.857	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)o2)cc1	20208176	HJIXYGXSKKWSKE-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	20248979	JKCIDUYWLLZIHR-XDHOZWIPSA-N	469.304	3.973	50	40	JHGB	
O=C(N/N=C\c1cccc(Br)c1)c1ccc(Cn2cc(Br)cn2)o1	32573540	XWEBCWAZGLYOIK-GXHLCREISA-N	452.106	3.813	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)NCc1ccccc1	58881996	JZPGTBCQHWZWEU-UXHLAJHPSA-N	480.524	3.624	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)CC1	58912603	AYUMXFXAWYIMCP-RDRPBHBLSA-N	487.604	3.518	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1O	408777822	JSMUPYBWCIPOJC-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(Br)cc1	408778464	UWFGSJUYENOQRQ-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409265870	WJRCLOIVZSNAGR-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1	8824747	CFFHSQKQDNJOEN-YBFXNURJSA-N	473.485	3.920	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1	12275881	RLHAWRZOCPFHPW-HOYKHHGWSA-N	452.532	3.746	50	40	JHGB	
CCOC(=O)[C@@H]1[C@@H](C(=O)N/N=C\c2c[nH]c3ccccc23)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	12859495	DWIBABBXSRBGGR-XWIGAPDASA-N	486.450	3.701	50	40	JHGB	
Cc1ccccc1OCCOc1c(Cl)cc(/C=N/NC(=O)Cc2nnc(N)s2)cc1Cl	13897814	IVHOOATTXCJIEH-BHGWPJFGSA-N	480.377	3.886	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	59401538	KTWQWXQHHUYSRJ-OVVQPSECSA-N	493.585	3.914	50	40	JHGB	
COc1cc(C(=O)N/N=C/c2ccc(Br)s2)ccc1I	408747646	QYFVMWMZEVEONV-FRKPEAEDSA-N	465.110	3.888	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)COc3cccc4cccnc34)c2)cc1	408753877	OMWGSANAFYGBIU-JVWAILMASA-N	475.526	3.840	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)c(C)c1	408795089	KBIUERAEMSLMFZ-OVCLIPMQSA-N	476.270	3.917	50	40	JHGB	
N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)N1CCOCC1	408995500	JSCHXMSSGLYMBD-AQTBWJFISA-N	474.298	3.636	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409248632	LQXWCYSNKFVXGN-WQRHYEAKSA-N	487.350	3.665	50	40	JHGB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	8927462	WCLIWWZCYOASFQ-APWZRJJASA-N	477.344	3.565	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1O	9288122	YZTQAHRDSSLFDP-DJKKODMXSA-N	489.107	3.922	50	40	JHGB	
CCOc1c(I)cc(I)cc1C=C(C#N)C#N	15658894	CGDHXANBSBYCKQ-UHFFFAOYSA-N	450.017	3.725	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	16194160	QYRROJZORJTYOY-TURZUDJPSA-N	456.546	3.559	50	40	JHGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)s2)cc1	18144125	XRJVFABRSMGNHV-UHFFFAOYSA-N	455.590	3.704	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O	19951638	ARCGRHIVKSYJJQ-LFVJCYFKSA-N	457.939	3.781	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(O)c3)n2-c2ccccc2)cc1OC	31870527	SQMQAFVEEPEKTG-YSMPRRRNSA-N	489.557	3.900	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)n1	33692358	RIGKADFEPGMGDY-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
COc1ccc(/C=N\NC(=O)Cn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)cc1OC	33916053	DWBNMUXKKSNVTN-NTFVMDSBSA-N	488.544	3.812	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCc1ccc(F)cc1	408611213	VLVRRMVCOGSOTB-STBIYBPSSA-N	463.509	3.612	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	408826640	IHNDEANSOXBLCV-WPWMEQJKSA-N	482.537	3.520	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1O	408951088	KYSHJZYNKGBHMT-NVNXTCNLSA-N	487.297	3.753	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	408972117	SFAQEVKSOOPDCO-LSHDLFTRSA-N	461.268	3.520	50	40	JHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409262871	KKHWUPWQGYLJJC-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C[C@H]([C@H](Br)C(=O)OC(=O)[C@@H](Br)[C@@H](C)C(F)(F)F)C(F)(F)F	885164013	AQSVLWTYQRVDST-ZXXMMSQZSA-N	451.983	3.980	50	40	JHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(I)c1	840393	QVYNIXKRBCYOPX-SECBINFHSA-N	479.101	3.827	50	40	JHGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(Cl)cc1Cl	4106833	JYLQCHZJZMJNSG-BRJLIKDPSA-N	459.333	3.571	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccc(Cl)c(Cl)c1	8384333	VXNWBBDYEPCLHK-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8811145	UNAMBZBBHTYYNF-WSDLNYQXSA-N	496.301	3.646	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1C#N	8861560	XWRJMLZKBYYIEB-WYMPLXKRSA-N	467.576	3.938	50	40	JHGB	
CCn1nc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c2ccccc2c1=O	17189815	AQOQMVTZMAYUGB-JOCHJYFZSA-N	458.543	3.711	50	40	JHGB	
COCc1c(Br)c(C)n(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c(=O)c1C#N	32124753	MXJJNKUFZJVPLU-UHFFFAOYSA-N	465.392	3.646	50	40	JHGB	
CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	408646406	OWTQXUCZBUAOSH-UHFFFAOYSA-N	473.957	3.578	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408936377	HXVXICNEQRCVNB-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	409004264	BPDAXKUELSSLLO-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1O	409027953	HEBAMKUUZIMUHW-UPMNJHNBSA-N	467.547	3.879	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	1474696	ZVYQVMPVCWKTOT-LGJNPRDNSA-N	492.948	3.923	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1	2889842	WOSQYHWHACHYAT-MIQLPHMESA-N	488.496	3.692	50	40	JHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	8452174	BRAFYPMVZQOYPJ-STBIYBPSSA-N	491.613	3.816	50	40	JHGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	16157607	RGNCVNUHLJVALZ-ZMOGYAJESA-N	451.426	3.644	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC	19951559	UQAMUVSETWLPRT-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408677962	CHSJRIYXGPPLDF-UPGMHYFXSA-N	473.298	3.588	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccc(C)cc1	408924691	LMRWFYWYBZSSDE-HAVVHWLPSA-N	457.577	3.801	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	409010159	JVDHGKKXCXOBSZ-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1C	409153120	HCFOZOANWWLVSR-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
O=C(O)[C@H]1[C@@H]2C[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)Nc1cccc(Cl)c1	4175662	WKVHFFTUPXLELD-KQAFNVIJSA-N	451.542	3.772	50	40	JHGB	
COc1ccc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12	9381902	GDJXWRSWBHNUSM-UHFFFAOYSA-N	474.608	3.791	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1	19948181	LBTUKVORQWQQTI-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	20214215	XEOVWLLMQTUDGC-KOEQRZSOSA-N	496.545	3.729	50	40	JHGB	
CCOc1cc(C(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)cc(OCC)c1OCC	20835556	BQUBBPCCYLRADA-AFUMVMLFSA-N	474.510	3.589	50	40	JHGB	
CC(=O)c1cnc2sc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)c(C)c2c1	23187833	YGSURPARHQTQIM-LBPRGKRZSA-N	476.352	3.798	50	40	JHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	408783720	OSRIBQYSLYUNGG-NCELDCMTSA-N	480.546	3.915	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=C1CCCCCC1	409127586	DIYBLZWESVFVPJ-UHFFFAOYSA-N	475.542	3.619	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1	409264322	DNYDKANWIWYBOQ-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(C)(=O)=O)c(C)c1	2176174	FLCBWSHXZITEKP-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1	2178210	RAYOHBDOTIXWNR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCN(CC)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	6078492	CYLJMNPOJQPAMH-FHULIHMCSA-N	470.205	3.815	50	40	JHGB	
O=C(CSc1nnc2c3c(-c4ccc(F)cc4)csc3ncn12)NNC(=O)C1CCCCC1	12641148	LUJUYCOQSQSUPI-UHFFFAOYSA-N	484.582	3.965	50	40	JHGB	
C=CCC/C(C)=N/NC(=O)CSc1nnc(SCC(=O)N/N=C(\C)CCC=C)s1	16136980	YBNGGFORAXVKQO-IWGRKNQJSA-N	454.647	3.639	50	40	JHGB	
O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	20047742	LCAFTNQOGLVMIB-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1Oc1ccc([N+](=O)[O-])cn1	31842138	FKQLJYVDZRLJQO-WKIKZPBSSA-N	473.445	3.868	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2F)cc1	33516195	QYIPDNSELYBCQV-CVKSISIWSA-N	453.539	3.784	50	40	JHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1I	408552434	UHWZIFIWQMATMG-GIJQJNRQSA-N	459.081	3.583	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])cc1OC	408568516	KCZYCYZSLUPJDH-SRZZPIQSSA-N	463.537	3.620	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCc1c(F)cccc1Cl	408606709	AIIRTWPDJPXAEG-PGGKNCGUSA-N	498.736	3.558	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC(C)=O	408759346	CMVXJAUODZSRKJ-BRJLIKDPSA-N	486.322	3.850	50	40	JHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408844462	CVSPHFIKVXRQKZ-QIVLMAQSSA-N	494.511	3.698	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408872738	PJDJLUJAHFNCJI-RQZCQDPDSA-N	485.334	3.710	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2Br)cc1	408926750	YCNCOHVDSNGUPK-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
Cn1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c2ccccc21	409004539	XNUOONMSQQALNK-WMPMWDHYSA-N	450.539	3.739	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@H]1c1ccccc1F	12250114	WXTPTCOQXUJJDT-FGZHOGPDSA-N	481.549	3.888	50	40	JHGB	
COc1c(O)cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1Br	12446042	CEXJPAWWIMVPLO-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
O=C(NNC(=O)c1ccc(C(F)(F)F)cn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12794074	AZMUENLYFPZDOW-UHFFFAOYSA-N	498.870	3.629	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OCc1ccccc1	19682592	WZIUWDIVQFORGZ-NDZAJKAJSA-N	486.616	3.851	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccco1	20170653	UFHJIYQIMIZQRL-NRFANRHFSA-N	480.502	3.985	50	40	JHGB	
O=C(NN=Cc1ccc2c(c1)OCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	22566814	QXIQIJHMIFBFCL-UHFFFAOYSA-N	459.409	3.969	50	40	JHGB	
C#CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	38193690	HUWPDYLLJICEQC-ONUIUJJFSA-N	463.331	3.847	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1nc2ccc(F)cc2[nH]1	408568025	HRUZXCQVEJHQMY-WZUFQYTHSA-N	463.206	3.834	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408778034	OYEDQXWRKHAWLB-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c(C)c1	408827394	JJZRSJOKQOFCFV-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)n1	408988731	FSIXFMZAYHLAOR-GZTJUZNOSA-N	472.490	3.782	50	40	JHGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1I	409100396	NADYBANBWQUCNU-JMIUGGIZSA-N	458.683	3.872	50	40	JHGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1	409218463	FIFLDJZVMKQHBD-UHFFFAOYSA-N	468.307	3.785	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)nnc1-c1ccc(C)cc1	1474316	RYXKBQJXESKRLJ-LFVJCYFKSA-N	451.552	3.831	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	2310369	IKAFJXVDIILFRV-NHCUHLMSSA-N	465.531	3.954	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC	9511875	NUJRDQNVUOXZSY-UHFFFAOYSA-N	492.557	3.956	50	40	JHGB	
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1	9910955	GNOBBIZKCZIHJX-UHFFFAOYSA-N	465.575	3.537	50	40	JHGB	
O=C(N/N=C(/CC(=O)C(F)(F)F)c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	12566268	PWEMWCZLHHNJKV-XHPQRKPJSA-N	481.496	3.517	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl	19951920	ZLFHGKXCEFODON-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	96834736	KTVOJCKTEMULPR-WQRHYEAKSA-N	465.506	3.595	50	40	JHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408970561	BJUYFOJAZRZGGB-FSJBWODESA-N	458.342	3.684	50	40	JHGB	
CC1(C)Cc2c(sc3nc(NNC(=O)Cc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1	2230178	BCRPDVJMMZHBCR-UHFFFAOYSA-N	460.559	3.984	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc(O)cc1	8973373	KIPPARPLCVUGLH-MRXNPFEDSA-N	458.337	3.865	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)cc1	9292005	OXVHQFCFQPRGPO-KNTRCKAVSA-N	457.534	3.938	50	40	JHGB	
CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CCC3)c2ccccc21	13567743	FDXAUZIUWAWJQM-RUZDIDTESA-N	459.937	3.951	50	40	JHGB	
N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	101027900	WTPJFJSDCQNWJK-OJJQZRKESA-N	490.475	3.767	50	40	JHGB	
CCCCCCn1c(=O)c(C(=O)N/N=C(/C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	101404909	ARXIIQNGPOYGRZ-MWLSYYOVSA-N	488.544	3.989	50	40	JHGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409211737	OCIXIATYKCXUHT-AUWJEWJLSA-N	494.241	3.824	50	40	JHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1	409313793	QWNDQPLQUFZFLB-OALUTQOASA-N	470.934	3.798	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(I)c1OCC	409390972	GLNVLNUHSKRAIX-SRZZPIQSSA-N	484.290	3.567	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c1O	672919	SQUNWZMQLWLVKK-LSHDLFTRSA-N	490.383	3.510	50	40	JHGB	
CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2n2ccccc12	1398675	WJEVDTXAXNDULO-AFUMVMLFSA-N	460.446	3.707	50	40	JHGB	
COc1cc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc(OC)c1OC	1471862	VSNJNPYQVJKMEL-JOCHJYFZSA-N	477.492	3.588	50	40	JHGB	
CC(C)n1nc(C(=O)N/N=C(\CCC(=O)O)c2ccc(Br)cc2)c2ccccc2c1=O	9376147	BMSUYFVKZVPFTB-HKOYGPOVSA-N	485.338	3.739	50	40	JHGB	
CCc1nc2sc3c(c2c2nnc(SCC(=O)NNC(=O)C4CCCCC4)n12)CC[C@H](C)C3	13499797	LYCKFXVFZZGLEJ-ZDUSSCGKSA-N	486.667	3.846	50	40	JHGB	
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C)cc1C	14248990	UESKXIGSSPFIIP-GOSISDBHSA-N	468.406	3.923	50	40	JHGB	
C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NNC(=S)Nc1ccc(Br)cc1Cl	20312187	BRADPWFUPUMUHE-VIFPVBQESA-N	472.748	3.616	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1OC	28218213	QBNROJXASIBJAE-OGLMXYFKSA-N	456.502	3.616	50	40	JHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	108281501	IRXXASUDAXUAOG-XKZIYDEJSA-N	465.378	3.896	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408769412	TYPHZUSZQWYCQD-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1C	409017497	RTRICWYRTRPZLV-RNRKLAHPSA-N	494.508	3.598	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409175022	YDOSWRZIYZOYNC-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccc(OC)cc2)cc1	1474582	VKGWWCMBZWRDLO-MFKUBSTISA-N	476.562	3.532	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3cccs3)n2CCc2ccccc2)cc1	3449903	XNZIALFRCHALLA-UHFFFAOYSA-N	493.614	3.811	50	40	JHGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccccc1NS(=O)(=O)c1cccs1	6147039	JVZJJPGGVUYGFM-WSDLNYQXSA-N	451.476	3.914	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(=O)c1C#N	9235129	CAHABNHCQMLMCA-XODNFHPESA-N	478.936	3.558	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F	9379749	ACBGMZKULYUMNX-LEWJYISDSA-N	481.549	3.861	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1	10078375	IOWHVXRTEAYHMM-KEPZKYLNSA-N	498.070	3.618	50	40	JHGB	
Cc1cc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1Br	12880562	YNLAGVQCXQLMKQ-CQSZACIVSA-N	463.353	3.688	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc([C@H](C)Nc2ccccc2C)n1C)c1ccc([N+](=O)[O-])cc1	13882181	QQTVIBUPDUKTCR-WTJYETQFSA-N	467.555	3.837	50	40	JHGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	19952316	VNMYHBGXOKPPEY-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2)c2ccccc23)cc1	20558257	UCTQCGCJSIUWAS-HSZRJFAPSA-N	499.548	4.000	50	40	JHGB	
COc1cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(I)c1O	20615364	VGOJZBNLRXMXCU-UFFVCSGVSA-N	469.323	3.607	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	58853554	BRMQCMFZPMZRDV-CVKSISIWSA-N	486.569	3.548	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccccc2)cc1C	59472784	XWXDVXUBKBQFHC-WPWMEQJKSA-N	476.558	3.551	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	408896567	OJCDKIIEDBLYBK-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1	409027014	PWBAEDWERQJJNA-LGUFXXKBSA-N	465.575	3.993	50	40	JHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1)S(C)(=O)=O	409123466	GLIMVSHEAVOCFE-WPWMEQJKSA-N	476.558	3.628	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1	409185457	LPUJMIZMLVWVPQ-CVKSISIWSA-N	495.626	3.911	50	40	JHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1	1474088	NORIIRPEEXRRNF-QQXSKIMKSA-N	473.514	3.926	50	40	JHGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc31)C(C#N)=C(N)O2	9191714	RQOWXSPBTVSVLQ-QFIPXVFZSA-N	452.301	3.944	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926211	WBUNPOBQWJZZBS-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Br)cc1	58912042	KDVCNEBAGFKKDZ-CVKSISIWSA-N	467.367	3.666	50	40	JHGB	
COC(=O)C(F)(F)C(F)(F)O[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F	111401916	JOMJXRTUQWIHQD-RITPCOANSA-N	488.099	3.966	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1	409025402	QTKFRDZQPDDROK-JVWAILMASA-N	493.585	3.744	50	40	JHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1)S(C)(=O)=O	409111844	CPPCMRADJCLUGS-YZSQISJMSA-N	464.591	3.791	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCC(=O)NCc2ccccc2)cc1	409164057	BXXDCMKKNBTKKO-MUFRIFMGSA-N	492.963	3.686	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1OC	409324773	VLXBEIOEOOVOIM-OYKKKHCWSA-N	474.922	3.889	50	40	JHGB	
Cc1ccc(S(=O)(=O)NNC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	1410605	ALJCTLJNLQAMTA-UHFFFAOYSA-N	465.358	3.547	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1CSc1ccccc1	2415070	MOATUKFFFGZWIV-NUGSKGIGSA-N	489.348	3.596	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(Br)cc1	9635714	YYTBVMZYRNUJLF-FSJBWODESA-N	471.311	3.862	50	40	JHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	12411868	VYYKMZMDZANQIM-ZSOIEALJSA-N	475.295	3.865	50	40	JHGB	
O=C(CN1C(=O)/C(=N/NC(=O)c2ccc(Br)cc2)c2ccccc21)Nc1ccccc1	13550271	WDTMFFMSUNYPJX-YYADALCUSA-N	477.318	3.569	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(I)c1O	36081853	KDWPGJSCOSKTEK-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC	59960564	OJLKBTKOXNVHNA-GEGDGZKASA-N	461.518	3.724	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1	211060293	WPSHQXCPIHWYPE-XIEYBQDHSA-N	496.545	3.648	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	408781148	AFWNKROEUDAQOD-PCLIKHOPSA-N	480.546	3.811	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)c(C)c1	408863083	PAPIYVIQLYCHEV-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2OC)cc1	408923702	KIZRIWOHNQXFLE-ZVHZXABRSA-N	474.922	3.889	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2o1	409104331	CWJCQKFIXZPOIR-ZMOGYAJESA-N	468.466	3.731	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	409151392	BCCWKJLJFPHJQB-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	409171242	YYXUFCZLGAJDRV-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1	409185863	RPRCMDMITRHRSH-CVKSISIWSA-N	495.626	3.835	50	40	JHGB	
O=C(NNC(=O)c1cc(/C=C\c2cccc([N+](=O)[O-])c2)nc(S)n1)Nc1ccc(Cl)cc1	8653204	ZXSOAHFHWNCIFL-DAXSKMNVSA-N	470.898	3.964	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@H]2C(=O)OC)cc1	9320148	OTCNWQAHEOWDKA-PKTZIBPZSA-N	493.585	3.757	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1	19952070	CBYFZGDENDNJJC-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Br)cc1	59392638	XONXJGRYDPAOCE-VOTSOKGWSA-N	451.136	3.989	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C	59960044	KWMDDQFUGCMLSG-MEAKTTDOSA-N	472.545	3.648	50	40	JHGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1	59960135	VUHVZOJMWOVGEZ-VSWHYLHOSA-N	478.936	3.685	50	40	JHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1	408994165	GRKOCRZYZPYOJC-JVWAILMASA-N	457.534	3.983	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1OC	409012400	JUAZYVMWNRVMBE-QRQIAZFYSA-N	491.544	3.813	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1C	409161003	SDOGCTAKXMWJSR-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@H](CO)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953119767	YZDMQLSOYVPEIW-NFBKMPQASA-N	455.671	3.791	50	40	JHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1086822	SRUUCBMCWGLEOW-AUEPDCJTSA-N	467.283	3.847	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	12250333	ACYJLHOQISOCEC-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	20060108	GNGKNXRDTWWHJY-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	28630455	ASSBEPREWOFKAQ-UUYOSTAYSA-N	474.254	3.822	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1	408729388	DYSWEDUENYMHBT-CVKSISIWSA-N	499.976	3.995	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1	408872499	FLAZQSCELFLQHC-KOEQRZSOSA-N	494.529	3.505	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1	409148689	ZSVAWXQMCRUNPC-SFTDATJTSA-N	463.559	3.667	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409217470	VSROPXPMSAXLJA-FSJBWODESA-N	450.944	3.923	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1	1248358	UQEZDSXFBHLNQZ-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
O=C(COc1ccccc1)N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl	2235638	LVGKAGHOWPEIPO-LSHDLFTRSA-N	480.771	3.903	50	40	JHGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2C1	3383424	FQAPLBRDORAJLR-FZTAQKCPSA-N	456.553	3.825	50	40	JHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1	9846957	QOLYGSZMYSZFNV-FSJBWODESA-N	484.310	3.854	50	40	JHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c3ccccc3n2)cc1	12803682	YRPRNWKNCBCGOL-UHFFFAOYSA-N	473.558	3.578	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1	33718962	BIQMZHICOFOHCK-OYKKKHCWSA-N	464.434	3.783	50	40	JHGB	
N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	100428312	HKDRGPXUEBTLOW-KAMYIIQDSA-N	450.501	3.540	50	40	JHGB	
COc1ccc(Cl)cc1NC(=S)NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2	103579849	JSYGGTNYFMLUSF-VRTLLEBXSA-N	495.436	3.907	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1N1CCOCC1	408566980	CANHRAPASQJACL-BUVRLJJBSA-N	457.621	3.839	50	40	JHGB	
Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)o1	408638856	UBQUTHSCBQPHEM-UHFFFAOYSA-N	497.360	3.582	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	408758042	FXWHUGQDCLGVIX-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)c(C)c1	408867497	KELACHNHYQFVEZ-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1OC	409017531	XDLZFHFOHHVNIO-YSMPRRRNSA-N	492.488	3.784	50	40	JHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)cc1	409027338	AOZKCYUHVYVJOM-BUVRLJJBSA-N	466.519	3.633	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1	409166148	BSDNJRNZMWJWNC-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1	409266704	RDPFZBCHCAGULV-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C	14019335	JMQQVYDSLNKPIQ-SKCQWOFPSA-N	480.590	3.898	50	40	JHGB	
CCN1c2ccccc2C2=C([C@H](c3cc(Br)ccc3F)C(C#N)=C(N)O2)S1(=O)=O	20558395	DRLXAIWDKOUVBJ-QGZVFWFLSA-N	476.327	3.934	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)ccc1OC(=O)c1ccc(C)cc1	30734417	MFAYWSPNEPIHKC-BWQZFURQSA-N	485.540	3.593	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1	59333391	ZOHCTBXSZAZELH-RGEXLXHISA-N	498.377	3.647	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c1	408868114	LLQXCRBZQBAMJE-UHFFFAOYSA-N	459.568	3.726	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2F)cc1	409007209	VIGFVWMDJYNUJA-JVWAILMASA-N	482.581	3.541	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2)c1	409254953	YNNDFSRDVHKSQJ-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OS(=O)(=O)c1ccccc1	2077094	SATMNWIRNWDTCS-ZVHZXABRSA-N	474.922	3.645	50	40	JHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	13595255	ZFLOMIKFRCHHSX-LSCVHKIXSA-N	457.078	3.518	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC	59960574	OJLKBTKOXNVHNA-ZQZJVFIWSA-N	461.518	3.724	50	40	JHGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3cc(Cl)ccc3O)o2)cc1	68738347	CBZNSLFITVIOCU-FMCGGJTJSA-N	460.943	3.855	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	408775476	TUFLTKGBSAZNMH-WPWMEQJKSA-N	495.601	3.920	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1	408775690	RJDINQJJPOEZAQ-CVKSISIWSA-N	499.976	3.781	50	40	JHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)c1	409154033	NICZWXSHFKWODI-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1	2765424	GHNAUANALBGILM-NLRVBDNBSA-N	465.575	3.993	50	40	JHGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	19950930	NCVAQLAYDKMJAV-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1OC	22061012	GUHZSFSXNUABMR-UHFFFAOYSA-N	466.563	3.868	50	40	JHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)CO2	28616233	RYPPYCOPMQMUEP-VINCFHDLSA-N	478.299	3.651	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21	100793114	CNDMMSISSANIHH-ROMGYVFFSA-N	469.383	3.692	50	40	JHGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408729742	CJAOTHFMMSNBBI-ZMFRSBBQSA-N	473.514	3.998	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408856628	CUGDYFMLQKTREH-LFIBNONCSA-N	470.438	3.754	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cc(Cl)ccc1Cl	409023890	DYQVKVVEYMXLFU-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N32)cc1	12275886	RLHAWRZOCPFHPW-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)COc1ccc(C)cc1Br	13940079	OJWQHWCEGIWGSB-OEAKJJBVSA-N	477.315	3.874	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2[N+](=O)[O-])=C(C#N)[C@@H]1c1ccco1	20348570	BIQLVNDTOPLSPH-OAQYLSRUSA-N	480.502	3.985	50	40	JHGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(F)cc1	107731567	PXHPPMWQHMTROC-MXAYSNPKSA-N	466.425	3.524	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408746936	IBKQWHXMPVPLFV-GDNBJRDFSA-N	459.296	3.945	50	40	JHGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	408792942	CDTKOQAHSPCCIU-RIYZIHGNSA-N	456.252	3.924	50	40	JHGB	
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	408875695	KBCATIQUWPCINN-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	408906553	HFMJVHNAUIYZRP-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	409007174	UOSWMQYNGQIJSW-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1	409026585	SSWCEUQAUDBPAQ-TURZUDJPSA-N	492.601	3.943	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	409173301	IIEYBOYWOQBYLR-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC	409359769	BWLVPIFEXXGRLD-YSMPRRRNSA-N	479.489	3.892	50	40	JHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	13400995	WHRBJXFXKPSAMG-UKTHLTGXSA-N	472.866	3.701	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(SC)cc2)cc1	19956487	WFCOJRGSFCGTFM-HZHRSRAPSA-N	473.576	3.746	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408943586	UCMXBCDAVVWKSS-VULFUBBASA-N	489.956	3.829	50	40	JHGB	
O=C(N/N=C\c1cc(Br)c(I)o1)Nc1ccc(F)cc1	408949754	BYNBRFIYBTZPAM-SOFYXZRVSA-N	452.021	3.941	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409160115	XRWGIEJSXWTBAJ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(OC)cc2)cc1	409223064	GDPKDEJJJKHSDO-YSMPRRRNSA-N	490.472	3.935	50	40	JHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3113238	BUKBONUEKSGNCH-UFWORHAWSA-N	487.104	3.658	50	40	JHGB	
COc1ccc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)cc1OC	9422127	IMWPCVJHSITACX-QNGOZBTKSA-N	456.502	3.932	50	40	JHGB	
O=C(NNC(=S)Nc1ccc(OC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	9540608	UOBLKBXFKZCULK-UHFFFAOYSA-N	498.558	3.782	50	40	JHGB	
COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccccc1	59490155	BCYJOBNYHCFRTB-UHFFFAOYSA-N	480.384	3.699	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59516166	OYPPZDQACHRERE-OVVQPSECSA-N	477.586	3.901	50	40	JHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2cc([N+](=O)[O-])ccc2s1	105422677	WXKKDZZVSLSSMQ-CNHKJKLMSA-N	465.241	3.950	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2ccc(C)cc2)cc1OC	408768930	MGICUPXHMPADNR-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408813726	DOMUUFLENUUTRG-JYRVWZFOSA-N	480.233	3.528	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1	408968678	BAHRLOSOFAKZDD-MZJWZYIUSA-N	468.941	3.531	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	408999948	WHNTZQHUTWQPCR-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1C	409150446	BXKRBBPXAAREEN-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1c(NS(=O)(=O)c2cc(NC(=O)[C@H](C)Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C	3886559	AKPHBURSSRGMJS-LBPRGKRZSA-N	483.377	3.504	50	40	JHGB	
COc1ccc(CN2C(=O)/C(=C\NNC(=O)CSc3ccc(C)cc3)c3ccccc3C2=O)cc1	9129468	PVKDLLVXQPHAHG-IWIPYMOSSA-N	487.581	3.940	50	40	JHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9291326	ZORCBJKQOLBOTB-OAQYLSRUSA-N	478.505	3.728	50	40	JHGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccc(Br)cc2)c2ccccc21	11692111	QJJUENXOBQFRTI-VXPUYCOJSA-N	463.335	3.886	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O	13476017	PUHNFDWRFAUILU-PORCUZMESA-N	480.502	3.682	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(=O)c1C#N	15018580	JGTUISHGNNVLTB-VYVUJPJFSA-N	473.577	3.544	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1	19949236	ZEJABNPCYRIPHZ-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3ccccc3O)c3sc(=O)n(-c4ccccc4)c3S[C@H]21	100872044	ARUMZEVBQXCFRH-DDPUJGDSSA-N	477.563	3.793	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC#N	108988617	IPZFQMYJVJGUEQ-ZVBGSRNCSA-N	483.116	3.592	50	40	JHGB	
Cc1ccc(CN(Cc2ccc(/C=N/NC(N)=O)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1	217038308	RPTGPAFRLOCRQV-WYMPLXKRSA-N	460.943	3.635	50	40	JHGB	
COc1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1	408685741	QFKLATHUKMFULZ-CPPNMTBBSA-N	458.308	3.997	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1cc(OC)ccc1OC	408810266	PFNNZOYTVMLUJZ-CPNJWEJPSA-N	454.523	3.741	50	40	JHGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408862405	YLRPZXAYHBARST-VUTHCHCSSA-N	470.573	3.540	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)cc1	409064463	POCICTCIGCSLSP-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C)cc1C	409152724	JWQIUPUNTOGBIS-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nnc1-c1ccc(C(C)(C)C)cc1	1455426	UIUSKSSVPPKSHT-ZMOGYAJESA-N	453.568	3.916	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O	2426441	FZFWTGJFNIRQKI-JQIJEIRASA-N	452.898	3.590	50	40	JHGB	
Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)Nc1c(-c2c(Cl)cccc2Cl)noc1C	2577739	HYQFPUNGIIRCEX-UHFFFAOYSA-N	493.760	3.667	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)c2C)cc1	6279970	KDFTTZOHCGRRDI-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	13063002	BJOCUZNYZGCEJB-OGLMXYFKSA-N	476.544	3.955	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	16491059	ASDFFQOMHALHAL-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1	20208282	WUICJUWLCJWDTM-WGOQTCKBSA-N	465.575	3.799	50	40	JHGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1	33787690	XMGWMFQWXJAIDC-YSMPRRRNSA-N	476.489	3.622	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc(C)c1	59247041	VQYSVUAPVSJDCH-QFEZKATASA-N	490.398	3.518	50	40	JHGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccc(Br)cc1	408638986	DQLRGVFRMRASAG-NSHDSACASA-N	471.138	3.570	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	408778732	XSQLXMDJSNBVPD-XIEYBQDHSA-N	496.545	3.729	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	408780689	IDNBSGSKSKCCDX-BUVRLJJBSA-N	457.939	3.694	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc4ccccc4c3)o2)cccc1[N+](=O)[O-]	409176035	XIASQLNNTMMLQV-CCVNUDIWSA-N	486.484	3.962	50	40	JHGB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F	409266709	QWFIVNSUVOFUHO-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCCOc3ccc(Br)cc3)ccc21	3323807	DYWHXLVUAAYMOP-UHFFFAOYSA-N	459.344	3.747	50	40	JHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	14889931	DYJDPXVRUJZOHL-LBPRGKRZSA-N	488.869	3.724	50	40	JHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12	17139146	VFIXWWCLEQHFKW-PIIZAKSKSA-N	465.513	3.600	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)c(C#N)c1C	408546980	PWDWWZVXLFESBY-VIZOYTHASA-N	454.504	3.849	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc(Cl)c1Cl	408914674	XANBDFJFOUNCCE-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1cccc(F)c1	409240867	QIBHQWRCPQMXIA-NSIKDUERSA-N	462.275	3.668	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(Br)c1OCC	409259406	ZGUZLGJQBDHJFA-ANDSAHIGSA-N	474.355	3.750	50	40	JHGB	
CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC	409366767	YBEXIOJUGDVPCJ-UUYOSTAYSA-N	451.317	3.566	50	40	JHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)o1	409393944	TYVNOYPMVPJZTE-OPEKNORGSA-N	477.546	3.718	50	40	JHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(Br)c1	2325641	KWCHBZBGLGGFQF-CVKSISIWSA-N	450.336	3.848	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1Cl	8826753	RIWJPGCUYFIFQD-LPYMAVHISA-N	463.968	3.756	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccncc1	9019632	KSEMIVFRULVXGU-DHRITJCHSA-N	494.374	3.786	50	40	JHGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNS(=O)(=O)c1ccccc1C(F)(F)F	13009254	YNDTVZMTBPANIH-UHFFFAOYSA-N	459.446	3.520	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	15018634	RELSPIMTVPSRHT-BHGWPJFGSA-N	495.289	3.681	50	40	JHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	23382753	KHWGXOYKHRFFKB-KDVQLTRESA-N	473.323	3.794	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC	58914157	VRZOBHHQIHXPDG-MWLSYYOVSA-N	496.995	3.964	50	40	JHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408614777	HUZZLWLPVOMNDE-LGJNPRDNSA-N	466.365	3.954	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl	408783065	MTEQNZTXFPWAMX-ZVBGSRNCSA-N	464.758	3.572	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	409015772	FNYNFGQSPDQYIQ-NTFVMDSBSA-N	454.486	3.781	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1	409156421	FSPCLYKLADFTGP-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1	409163075	LPCOIGAWSIPQQV-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N/N=C/c1ccccn1	1296530	VJEAAYNBBCWJBY-DHRITJCHSA-N	494.374	3.786	50	40	JHGB	
CCC(=O)NNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12	13943894	MPGBMYGJXPKLAV-HHHXNRCGSA-N	482.540	3.946	50	40	JHGB	
Cc1cc(=O)c(C(=O)NNC(=O)c2cc(Cl)ccc2Cl)nn1-c1ccccc1Cl	18097929	YFHSDORXGOJKJF-UHFFFAOYSA-N	451.697	3.576	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1	20214302	HZFIWRFCRBOXGA-YZSQISJMSA-N	481.574	3.828	50	40	JHGB	
Cc1ccc([C@H](CC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)NC(N)=O)cc1	24979721	YCHYLKASMNZFPL-QFIPXVFZSA-N	480.952	3.788	50	40	JHGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H](Br)[C@@]2(O)C(C)=O)C1	118924457	DHFXZXVWFURDJS-AJBXWVIFSA-N	469.416	3.833	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1	408605224	LAXCHFUTIPMFGI-SFHVURJKSA-N	451.464	3.803	50	40	JHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732899	UKPKPBGURHYTRC-LGJNPRDNSA-N	473.514	3.998	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC#N)c(OC)c2)cc1	408745748	OVJOQRICYMTSPF-ZROIWOOFSA-N	489.269	3.756	50	40	JHGB	
Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1ccccc1F	1960449	FFIOHLQDPABXDY-SRZZPIQSSA-N	453.255	3.608	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10118638	OJWSIQCPINLQFD-SRZZPIQSSA-N	468.678	3.729	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)C(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	102413834	GAQADEBEDCGXDI-VQTJNVASSA-N	451.504	3.998	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	107637024	AORVRFXCTAFPNP-AFUMVMLFSA-N	462.462	3.905	50	40	JHGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(C)c1)Cc1ccccc1	108930773	JKNROTLULFMPSX-QQXSKIMKSA-N	465.575	3.653	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1	408768472	GAYWXNGKYIYHDC-RPPGKUMJSA-N	489.315	3.614	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)S(C)(=O)=O)cc1Cl	408884576	YKCDTKNVVFYCKG-FSJBWODESA-N	451.976	3.600	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OCC	408925300	OUQRIWZAHJGXGT-FSJBWODESA-N	488.393	3.707	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2)cc1	9110644	MYHALGTZUSGROS-GOSISDBHSA-N	495.557	3.591	50	40	JHGB	
O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)NC[C@@H]1CCCO1	58882693	TYGYYQGXBIPXKW-NYFJFQCHSA-N	471.557	3.643	50	40	JHGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1ccc(I)cc1	101158527	JOFXHWRETIHKSR-WSDLNYQXSA-N	469.710	3.757	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC	408747984	WORLTGFFOFCXBL-CIAFOILYSA-N	466.275	3.637	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(C)C)cc1	408763954	GZIJGHVRJVUTSQ-RWOVVYLESA-N	498.561	3.925	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	408771796	JCRSXJXDLCCFKE-LGJNPRDNSA-N	473.316	3.534	50	40	JHGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1	409191285	UMTMDMNATYEKLC-ZMOGYAJESA-N	459.491	3.877	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)c(OC)cc4OC)CC(=O)N3C2)cc1	2354035	OQOOZOKLYLYRCU-QGZVFWFLSA-N	467.547	3.940	50	40	JHGB	
O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cc2c(cc1Br)OCO2	3093585	LBEJLHGRMRYCHS-QPSGOUHRSA-N	473.110	3.964	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc2c(c1)OCO2	9580398	CRWVNHRAASEWCX-NLRVBDNBSA-N	479.558	3.698	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1O	20247133	YTKXHEGQIZVRIF-JRCVBZDQSA-N	461.543	3.939	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(Br)c1O	21456689	QYONIYVXNKNENV-INIZCTEOSA-N	483.278	3.500	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CC2(C)SCCS2)cc(I)c1OC	32116898	MJYKKYJYUPPCLU-ZDLGFXPLSA-N	480.393	3.735	50	40	JHGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(I)c(O)c1	409102508	ARNMXFRBROLHON-SRZZPIQSSA-N	453.255	3.500	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(F)c1	409114290	GOVQVCCDNSVKOV-VULFUBBASA-N	489.956	3.974	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(OC)c2)cc1	409222933	DSSCYJRHQYDODV-YSMPRRRNSA-N	490.472	3.935	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c(C)c1	409250675	MLFOAEQDDHDCSA-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OC)nnc2-c2cccnc2)cc1	1474548	PYKZEGXQKNWRPP-JVWAILMASA-N	488.573	3.979	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1	2085238	JXKMHGBYFGITEJ-UMYHVIPVSA-N	458.367	3.697	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F	4156741	IIOVKOGBLNPLMC-IZZDOVSWSA-N	491.376	3.890	50	40	JHGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1csc(N2CCOCC2)n1	12803012	ZAPRJFNPGOEDBB-UHFFFAOYSA-N	493.976	3.923	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC	19816837	RXNXYJVJXRSSPL-JJIBRWJFSA-N	461.584	3.746	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	19950761	JHSKATYJLLCSML-PCLIKHOPSA-N	455.511	3.570	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1	19956986	VJGCTTAUTBZHFP-JJIBRWJFSA-N	466.519	3.715	50	40	JHGB	
COc1ccccc1[C@H]1[C@@H]2CN(C(=O)OCc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	26681014	LAONXHQLDPRNSR-VWNXMTODSA-N	465.513	3.757	50	40	JHGB	
Cc1ccc(/C=N\NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	33459514	IXLKPLIWPXGVPJ-MYYYXRDXSA-N	455.967	3.990	50	40	JHGB	
O=C(NCCCl)Nc1ccccc1OCCOc1ccccc1NC(=O)NCCCl	38141367	YTJQGUDWCMQYQD-UHFFFAOYSA-N	455.342	3.865	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	408774504	WAMDJTQJXIHFRW-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408784549	UMYORHMWXFQGPM-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCC[C@@H](C)C3)nc3c(C)cccn3c2=O)cc1	9344397	YIPPELVACFSUGT-ALDSOSFCSA-N	462.575	3.886	50	40	JHGB	
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1	15987218	DINIZBFMWLZYNI-HDNNTFNPSA-N	458.522	3.697	50	40	JHGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1)S(=O)(=O)c1ccccc1	20232853	SBQGZUQQKRYSTL-MFKUBSTISA-N	481.599	3.770	50	40	JHGB	
O=C(N/N=C\c1ccc(Br)cc1)[C@@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O	29763460	VNJCUTGLDCYNKJ-RMWBRQFISA-N	478.346	3.872	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)ccc1OCc1ccc(C(=O)O)cc1	33304986	GQHPVDHJNBGQNI-DICXZTSXSA-N	477.517	3.568	50	40	JHGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408612757	YPMLMOZOUCFQCA-OPEKNORGSA-N	472.756	3.829	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1C	408847582	NQDLURRVCBLUOT-BJLUOBIUSA-N	470.529	3.936	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2C)cc1	408871619	ZGHTYIKXQSOIQJ-JVWAILMASA-N	493.585	3.729	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1	408923364	WRHYIIPDNZHISU-YZSQISJMSA-N	481.574	3.748	50	40	JHGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409009527	ASTRLXXMZMIERM-AUEPDCJTSA-N	487.727	3.921	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	409026501	QVBXGOUHBYSCCE-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)c1	409165119	STSCCPPHPMKMMF-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccccc1OC	409196533	OZWSTTNTSFNXDT-LSSXRZCCSA-N	466.534	3.754	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OS(=O)(=O)c2ccc(C)cc2)cc1	2077115	ASZWDTZDFBUXJA-BUVRLJJBSA-N	454.504	3.544	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1OCc1ccccc1	3112127	VUVBIEMCCUUGHV-YDZHTSKRSA-N	450.407	3.855	50	40	JHGB	
Cc1ccc(N2C(=O)/C(=C\NNC(=O)CN3CCCc4ccccc43)c3ccccc3C2=O)c(C)c1	3423393	MOGBHTOKGKKNBE-ULJHMMPZSA-N	480.568	3.905	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)S(C)(=O)=O)cc1	6245076	HANKDBJEIYIABO-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	23410630	IXLKPLIWPXGVPJ-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(F)cc2)cc1OC	409138371	ARUOSCJULJVRFX-UHFFFAOYSA-N	477.558	3.865	50	40	JHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)c(OC)c1	2197580	HJVMQHPFOZVHCJ-SFHVURJKSA-N	467.547	3.940	50	40	JHGB	
O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	9255392	XABUTWAGDCNMOK-UHFFFAOYSA-N	459.527	3.527	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)nnc1-c1ccco1	9508278	KNWPWIMAZGGWDI-UHFFFAOYSA-N	468.564	3.543	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccccc1O	16675765	VTULAPVFFRPIMN-LFVJCYFKSA-N	457.939	3.781	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	20232916	FVXKOYMQCXNJAG-YZSQISJMSA-N	464.547	3.624	50	40	JHGB	
Cc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2CCC(C)C	100870112	XCJJNVGKANHJNX-XAYXJRQQSA-N	499.409	3.791	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(I)c1O	408776624	XOMKRXYQOGZMLD-JYRVWZFOSA-N	463.275	3.617	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(C)cc2)cc1OC	408780647	HBCBCNQPSDQOJH-JJIBRWJFSA-N	461.584	3.746	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1	408834431	ZYXJOASOPKOKPP-XTCLZLMSSA-N	481.574	3.830	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1	408906856	JGIDTPZQCZRLQT-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409253794	BYLFKTZMDOAQHQ-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1	409257650	TWWOEWFEXNQBQW-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1	409266673	RBNBYTMIRCCOMC-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	1474102	UWLBWFJYKMVJFS-ZVHZXABRSA-N	459.487	3.536	50	40	JHGB	
COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)cc1	9088779	ZFDPWQKAXFNLQF-RTWAWAEBSA-N	481.530	3.654	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1)S(=O)(=O)c1ccccc1	19937043	FJAFNRKQHKBNGC-NLRVBDNBSA-N	479.558	3.936	50	40	JHGB	
CC/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20211482	ALIAETKKFMZDJC-HAVVHWLPSA-N	488.393	3.707	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c(Br)c(Br)c1O	408978486	MKDORQNREKALSY-VZUCSPMQSA-N	455.106	3.987	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	409109612	ICJXUAIZOHNIRX-ZXVVBBHZSA-N	479.602	3.641	50	40	JHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1	409268103	ZPMGHIOGPIJZRF-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1	409351649	VIKBTYLCTMPCDO-UHFFFAOYSA-N	483.421	3.528	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1nn(Cc2ccc(Cl)cc2)cc1Br	1092065	XQXPXQRJLDRQBK-GZIVZEMBSA-N	461.703	3.840	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)ccc1O	6190614	TUJILHVAWBJCEA-ISAGNRBTSA-N	459.546	3.824	50	40	JHGB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cc(F)cc4s3)cc2)C1	9381939	HTVOKMAIONIXNE-LBPRGKRZSA-N	466.535	3.752	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1	19948230	ZROYKFLKOHWXGM-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)Nc1ccccc1	58881241	KJIJFPQQNOSNFB-AFUMVMLFSA-N	495.333	3.555	50	40	JHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(O)c([N+](=O)[O-])c2)c1	408742395	QWCHMZATXYJCIP-WUXMJOGZSA-N	479.230	3.849	50	40	JHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	408845642	GWBAVRMBYURTDN-MSXFZWOLSA-N	450.451	3.655	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408874912	GGIQFZMIFOXEIM-QPSGOUHRSA-N	498.304	3.812	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC	408991216	PUDBVXCWYUOITA-RUEQZMELSA-N	493.564	3.585	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1OC	1474398	ZSXSWXYUFXHGBM-JFLMPSFJSA-N	488.573	3.897	50	40	JHGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O1	2268762	RAFNKMWDRYFURG-NRFANRHFSA-N	468.893	3.717	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	8451019	ZBUFAAQAEQPADV-HXUWFJFHSA-N	462.531	3.606	50	40	JHGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1	8819816	KVLQZALSBMPOPK-HKWRFOASSA-N	483.615	3.923	50	40	JHGB	
CSc1nc2nc(C)c(CCC(=O)NNC(=O)c3cc4c(s3)CCCCCC4)c(C)n2n1	12698327	OMTKZTLWWJNBFJ-UHFFFAOYSA-N	472.640	3.577	50	40	JHGB	
O=C(CCNC(=O)c1ccco1)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	13097070	JOMJKFOYTPYBEU-UHFFFAOYSA-N	480.571	3.763	50	40	JHGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3ccccc32)cc1OC	19947299	BWCLAZDZPKTQIT-VACSUVPGSA-N	499.571	3.764	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	19951613	AWRSVPLRRMPKHR-MFKUBSTISA-N	485.949	3.611	50	40	JHGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1	19996563	RAVAOOQFWQVBHO-FCDQGJHFSA-N	485.588	3.683	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1O	20493134	NPJLZVCEQFEGAW-YZSQISJMSA-N	497.573	3.535	50	40	JHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2	103081690	MNACJILOQWKRJX-PXTPZRTHSA-N	467.481	3.932	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408608605	HUZGVZNLATURQP-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1)c1ccccc1	408688317	VYOYBMIEPQMAQL-PQJHSCJSSA-N	483.362	3.687	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1	408762202	JOPYUVSFBGDSLP-YQNSVDCASA-N	484.534	3.616	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1O	408774544	PGOKMJFDICFRMP-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	408832233	SHFPDJOLQUXEKM-NHFJDJAPSA-N	493.585	3.810	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	409016333	TWXOALDSVMASHV-JFLMPSFJSA-N	477.517	3.802	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)ccc1O	409024289	JIDOEPIMHRQOPC-WNIQNGNASA-N	497.573	3.888	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)c1	409255581	IBSLKTPRWFFIDW-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(I)c1O	409366474	VETZMFUFSXFMHZ-NHDPSOOVSA-N	452.292	3.705	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3Br)sc2=O)c1	2215768	LUAPZFBZTQEJCC-LSFURLLWSA-N	494.754	3.836	50	40	JHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O	2400039	ZGKPXJVBBJDFQV-SAPNQHFASA-N	466.925	3.898	50	40	JHGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1	8825388	FNXDOXIDUGSGRF-OVVQPSECSA-N	488.569	3.620	50	40	JHGB	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21	9335054	RSDVEKSNQSZFIW-SWKFRHMKSA-N	499.329	3.930	50	40	JHGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9562632	VVTNPCSUGPRZEX-UHFFFAOYSA-N	460.515	3.701	50	40	JHGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	12635653	MWRAGUOWXAMTLI-UHFFFAOYSA-N	488.447	3.592	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	16479001	FLOURYNLMUTKEP-KOEQRZSOSA-N	455.967	3.724	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	19949515	NPAPWPWGUIKVJI-ZVHZXABRSA-N	486.937	3.902	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(O)c3)n2-c2ccccc2)cc1	33341516	XKPAFEPINPWLRK-MYYYXRDXSA-N	459.531	3.891	50	40	JHGB	
O=C(N/N=C\c1ccccc1I)C(O)(c1ccccc1)c1ccccc1	33646367	KOUYAYGRKNSAOO-HAHDFKILSA-N	456.283	3.677	50	40	JHGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)c1cccc(Br)c1)C(F)(F)F	100509967	MUVFQNZNEJRZTK-NXVVXOECSA-N	467.245	3.923	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(I)c1O	107672988	GHLOHMJFQUESOD-UFWORHAWSA-N	497.270	3.892	50	40	JHGB	
CCOc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccccc1Cl	226360928	DMPOVSOXOUGBIU-BQYQJAHWSA-N	472.710	3.925	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763449	FHGVGUSQBVCBDZ-SAPNQHFASA-N	479.470	3.917	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OC(C)=O	408766946	XIOAAGXQCUBQCU-RQZCQDPDSA-N	490.297	3.839	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCC(=O)O	408799688	HMISUVMNNRFBLN-CXZOQJFISA-N	451.317	3.523	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1O	408805311	GCZAANZFEOWMIS-CLFNKMITSA-N	454.308	3.997	50	40	JHGB	
COc1cccc(/C=N\NC(=O)COc2cccc3cccnc23)c1OCC(=O)Nc1ccccc1	409021301	AKGZMEHQUAORHL-MWLSYYOVSA-N	484.512	3.790	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)ccc1OCC#N	409378237	NWIMLXSBFNBDHT-FOKLQQMPSA-N	458.268	3.879	50	40	JHGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9219501	DPYWBJLQXONJNI-UHFFFAOYSA-N	450.495	3.834	50	40	JHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	9299708	AQSLXPJKAFICOM-BRJLIKDPSA-N	452.850	3.817	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	9614435	DOHYBOKCMLLIOU-VULFUBBASA-N	477.473	3.969	50	40	JHGB	
COc1ccc2c(c1)c(CC(=O)NNC(=O)c1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1	15508476	BBXIFHFUQAQNQQ-UHFFFAOYSA-N	476.920	3.699	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1	20240422	JFQGINIIFNNIAM-VUTHCHCSSA-N	472.589	3.786	50	40	JHGB	
CSc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc(-c4ccccn4)nc4ccccc34)CC2=O)cc1	25220278	ZXACSYVTVYMBIC-QGZVFWFLSA-N	497.580	3.833	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1	59247039	PAPGZCFHWHALOR-QFEZKATASA-N	490.398	3.518	50	40	JHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1Cl	104366532	JHORTLDKCCYHBW-PFONDFGASA-N	463.954	3.736	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(C)ccc2C)cc1	408771073	CSDMYXBKSJITQA-VULFUBBASA-N	479.558	3.686	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1	408775181	FMSNDPMXCIRJQD-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1OC	409016058	UGLMHGBWOJGFFI-CVKSISIWSA-N	463.490	3.581	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(C)c1	409149866	SUCCNRXEAJIOTA-CVKSISIWSA-N	465.575	3.619	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1	409175668	UIRAGMHHZTYRBC-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	409272757	SGODMEGEOOEWQI-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1	873371	CGECBZVNDJGHCH-DEOSSOPVSA-N	459.502	3.918	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2C)cc1C	2176216	RHOKNQSZFJRJPD-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
C=CCn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1cccc(Br)c1	2753221	QPWIIYOKSPBBFX-WSDLNYQXSA-N	457.357	3.531	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204566	NNDJWWGQJMQOKM-FOKLQQMPSA-N	483.746	3.746	50	40	JHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccc(OC)c(OC)c1	16712422	BLLMLLRLUHYEOQ-IWIPYMOSSA-N	469.567	3.623	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)cc1C	17445986	KOMPPJXONOQIAR-UHFFFAOYSA-N	469.588	3.729	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1	20206838	PQRQKHYCJFXJSK-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(Br)c1O	21456687	QYONIYVXNKNENV-MRXNPFEDSA-N	483.278	3.500	50	40	JHGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	34849540	WTPJFJSDCQNWJK-RCTAOEEJSA-N	490.475	3.767	50	40	JHGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	59937495	ASQNZKKDSODBPK-SRZZPIQSSA-N	457.240	3.967	50	40	JHGB	
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)cc1	101034359	WQPSKCMRGIGLJN-ROMGYVFFSA-N	498.425	3.829	50	40	JHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	408757108	ZVEUTJUTLYRRDT-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1	408791552	YPBUOUSDGANWIK-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1	409100609	QQMNLISBPFWCLT-QGMBQPNBSA-N	475.080	3.532	50	40	JHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Cl)OCO2	409336639	OOGOAOWTUWMTLO-CVHZQBDDSA-N	475.929	3.629	50	40	JHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	409377415	HHAFSMLFECGSCA-PDGQHHTCSA-N	484.350	3.541	50	40	JHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC	636881	PPGGAPXEUXGXFM-UFFVCSGVSA-N	467.341	3.986	50	40	JHGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1c[nH]c2ccccc12)C(=O)N/N=C\c1c[nH]c2ccccc12	4743142	VOZVLRIHFOWAOG-YBADHJDQSA-N	460.563	3.760	50	40	JHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2cccc(Cl)c2)c1	6144567	HYLSTDMZXGLPMJ-OUKQBFOZSA-N	485.949	3.624	50	40	JHGB	
CCOC(=O)C1=C(CP(=O)(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1	8685392	LOIWYVUTTLYBCL-VWLOTQADSA-N	490.496	3.880	50	40	JHGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	19949708	NXHCWBYCTDIPDH-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	20214937	WMOIRIKOIWFFRG-KOEQRZSOSA-N	453.564	3.935	50	40	JHGB	
Cc1csc([C@@H]2C(=O)NC(SCC(=O)NC(=O)NCc3ccccc3)=C(C#N)C23CCCC3)n1	21468938	AVULDWXKLDMYKU-IBGZPJMESA-N	495.630	3.720	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2)cc1	28215090	DQNIDLFTVDPZER-DHRITJCHSA-N	463.563	3.662	50	40	JHGB	
O=C(CCc1ccccc1)Nc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	138942515	WKEOBGBIYFXUMF-BQAIHONLSA-N	483.362	3.767	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1	408837406	DXDBFSOIZSIKOU-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(C)c2C)cc1	409029146	XZPYEWQJZAQZAF-CVKSISIWSA-N	479.558	3.656	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC	409122513	YZFHKDJROSUZHV-JVWAILMASA-N	499.564	3.574	50	40	JHGB	
COc1cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)ccc1I	9259282	BEALHCWCSXZGGA-LSCVHKIXSA-N	459.627	3.625	50	40	JHGB	
CCN(CC)c1ccc(C(=O)NNC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1	11654258	RKGFFPCEIXYPTJ-UHFFFAOYSA-N	456.543	3.711	50	40	JHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)cc1OC	12275261	CMVZPWDRXZRPHW-MHECFPHRSA-N	452.532	3.746	50	40	JHGB	
CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	34877880	KIGPHJDXCLJMCU-MTJSOVHGSA-N	450.289	3.848	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S(C)(=O)=O)cc1	58915262	IHIIYJNYTLKPPF-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3cccc(Cl)c3)C(=O)c3ccccc32)cc1	101027857	GSPJVRFRBHPRLE-HFTWOUSFSA-N	495.944	3.541	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)c(OC)c(OC)c1	408608257	VRJONIIZKPJROQ-KRWDZBQOSA-N	461.975	3.610	50	40	JHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccccc1	408754169	DTVMSBULQYGTHJ-XMHGGMMESA-N	463.471	3.586	50	40	JHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	408816055	IPOVKLCRAODFQG-RDRPBHBLSA-N	469.541	3.899	50	40	JHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OS(=O)(=O)c1ccccc1	408880799	KWRSIRIVYPMSFM-SAPNQHFASA-N	478.482	3.707	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccc(C)cc2)cc1	408906496	BZVHONREBZVLCN-HAVVHWLPSA-N	457.577	3.801	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2ccc(Br)cn12	409010352	JZSXNOIMPRQLDK-DNTJNYDQSA-N	466.133	3.940	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1)Nc1ccc(Cl)cc1	409260274	NQRRUEANTQRKNB-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)ccc2C)ccc1OC(=O)c1ccc([N+](=O)[O-])o1	910159	CBHKWGDQFXDFJB-DHRITJCHSA-N	481.461	3.952	50	40	JHGB	
COc1ccc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3C)n2-c2ccccc2)cc1	2212393	RPJPBUXTWMXHTF-UHFFFAOYSA-N	487.585	3.728	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1	2326352	HBALBKBPVPSALT-APLRVFJTSA-N	496.549	3.798	50	40	JHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1cccc(I)c1	3083873	UYCIWSOIKNEERN-RGVLZGJSSA-N	455.683	3.814	50	40	JHGB	
COc1ccc(N2CCN(C(=O)COC(=O)/C(C#N)=C/c3cc(C)n(CCC(C)C)c3C)CC2)cc1	12640614	LTAPHMWSEDVUCB-JJIBRWJFSA-N	492.620	3.959	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1O	15018658	JHUFKVJBFUBAKL-BRJLIKDPSA-N	480.318	3.782	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)cc2)cc1OC	16292567	VRQAKGKBLDNKSW-UHFFFAOYSA-N	459.568	3.644	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	20047770	FHLKZRYMZFJDBV-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1	59435870	SPVQZNIABMWPDW-KOEQRZSOSA-N	455.967	3.724	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408544970	WLHOABRGGDQBII-CHHVJCJISA-N	458.854	3.534	50	40	JHGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4)c(OC)c3)CC2=O)cc1	408606018	KYPNROYNMBWONW-LJQANCHMSA-N	461.518	3.779	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl	408799365	YVERKJZISFRXSC-VGOFMYFVSA-N	463.273	3.877	50	40	JHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC	408838478	WUGZLVSVVOQNAB-RHWORCHNSA-N	459.296	3.915	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408843761	UBCLVUUOLYANCY-BUVRLJJBSA-N	457.552	3.893	50	40	JHGB	
N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(I)cc2)c(F)c1	408968612	XWRAENALVIUQCU-FSJBWODESA-N	458.234	3.857	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1	408998664	RTBICMAITFFOOP-DHRITJCHSA-N	499.365	3.963	50	40	JHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409164558	KGFBBAQLCNYAQF-PGGKNCGUSA-N	485.755	3.639	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1	409218185	DGGBDUUSCMLVJL-MYYYXRDXSA-N	460.446	3.926	50	40	JHGB	
O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	4132570	PAQMUEGKLJUSJK-FINBYZLBSA-N	484.468	3.910	50	40	JHGB	
O=C(NNC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccc(COc2ccc(Cl)cc2)cc1	14253187	PXCIMACGKMBZHH-UHFFFAOYSA-N	477.904	3.797	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OCC	20212669	KVKXDFVRKBGKND-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	35103563	DONDMUCBDIKOSH-WYMPLXKRSA-N	497.558	3.628	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc(OC)c1O	408755585	ORGFSVORXXZHFG-GHXNOFRVSA-N	450.232	3.560	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	409273059	VCLRBEDBUAOVSA-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	9255578	FDLBETJMZWIKHI-UHFFFAOYSA-N	458.474	3.798	50	40	JHGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1	9442913	OXLQEGSVUBSWGO-UHFFFAOYSA-N	493.969	3.833	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	9635819	IZAOHYYPPGWWAY-GMAHTHKFSA-N	453.477	3.888	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21	13567676	ZRSMGBPLUHXMAO-SANMLTNESA-N	454.917	3.779	50	40	JHGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	23081031	CNBNWBPYXKIZNK-UHFFFAOYSA-N	489.359	3.985	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33554961	UYPDZSOFGPZWOK-YVNNLAQVSA-N	498.717	3.645	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235384	VRTKPYFBVVHDSS-NOGIOGCUSA-N	457.486	3.735	50	40	JHGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC	58914146	VMAZODDSYNSPNM-LQNQUEJISA-N	490.604	3.927	50	40	JHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br	58914583	QHFVARFCHPGLME-NHDPSOOVSA-N	457.240	3.706	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ncnc3nc[nH]c23)c(C)n1-c1cccc(Cl)c1	96935541	MDAMWXNLHFVEAC-IWAJPKQASA-N	489.923	3.891	50	40	JHGB	
NC(=O)N/N=C(/Cc1nc2ccc(Cl)cc2nc1O)C(=O)Nc1ccc(Cl)cc1Cl	104297785	QYSOUBGSALGQIK-YSMPRRRNSA-N	467.700	3.501	50	40	JHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	109142470	RSDITOLALUGRND-ZVHZXABRSA-N	455.308	3.550	50	40	JHGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCC(=O)Nc1ccccc1C	408612852	YZMKKRADLUPFOT-IBGZPJMESA-N	488.544	3.517	50	40	JHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408764727	NBGXJRGUHXHMDH-JFLMPSFJSA-N	470.441	3.891	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC	408779472	FGOIYMZBMHANAV-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1	408863544	PCQUOCZYFKRVFD-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1	409005369	ICTMWVBSDKKATC-DHRITJCHSA-N	475.929	3.526	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1	409150545	CRHRJJQMEDZYPM-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C(C)C)cc1	1529544462	IDFUNKMUUCEQBS-NRDUTDNZSA-N	494.617	3.695	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1	934911	CAMDOVQGCZUETM-HGBKYHTQSA-N	456.365	3.930	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OCC	20212642	QVQIUBDEWZEAQA-ZVHZXABRSA-N	482.002	3.752	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1OC	20232451	PLJIGOSVBPTQHH-OVVQPSECSA-N	493.585	3.990	50	40	JHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C\c1cccc([N+](=O)[O-])c1	36640500	WEANVMCSMNNJOP-HFTWOUSFSA-N	471.561	3.842	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC#N	408796995	QPBWZLWZMRFYLH-NTEUORMPSA-N	489.269	3.844	50	40	JHGB	
CN(C)c1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)o1	409001881	XIDUMFYWJNUUAQ-AFPJDJCSSA-N	496.159	3.948	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OS(=O)(=O)c1ccccc1	409065130	HQOGNWUOLXXTOY-GHRIWEEISA-N	450.472	3.714	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OCC(=O)O	409236391	FPEMHASNGZQHQB-YVLHZVERSA-N	473.323	3.577	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1	409256091	JQSJGJFZLDKXMW-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
COc1cc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1OCc1c(C)noc1C	3302060	WXOPLFXRFVBBKS-UHFFFAOYSA-N	474.473	3.878	50	40	JHGB	
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C2CCCCC2)c1	9509245	KSEJYRRQCIKDDV-UHFFFAOYSA-N	463.987	3.502	50	40	JHGB	
O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	9562049	BHQZVHNEQMOKRT-UHFFFAOYSA-N	499.892	3.785	50	40	JHGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2cc(Br)ccc21	20608608	LIOZKMCIKRNXGO-QQTULTPQSA-N	493.789	3.648	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc21	101066933	AVZPCFIGNUGHRM-JKYRBGINSA-N	490.604	3.799	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1	110009875	ALBBHOJMUXUEEV-UFWORHAWSA-N	455.106	3.640	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2c(F)cccc2Cl)cc1	409060802	YCXKLHDDIHXWGF-LGJNPRDNSA-N	474.945	3.524	50	40	JHGB	
CNC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(C)cc2)c(OC)c1	409199284	BZRJWEOMCRXFSR-PXNMLYILSA-N	462.287	3.840	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	13893799	CIYWDZNTVUUGKY-KOEQRZSOSA-N	457.596	3.867	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OCC	20211525	KQNDSGCNDVBTSK-FSJBWODESA-N	488.393	3.707	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)CC1	20240530	LHQURLNMQLYLDE-OVVQPSECSA-N	473.533	3.690	50	40	JHGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1OC	32581121	IAGSIQXQGHNOSA-HNWARBAXSA-N	472.545	3.691	50	40	JHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Br)c1OC	59720798	XPIZAYVFFTYLME-ZVBGSRNCSA-N	471.149	3.791	50	40	JHGB	
CCCCCCn1c(=O)c(C(=O)N/N=C(\C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	100534808	ARXIIQNGPOYGRZ-MUFRIFMGSA-N	488.544	3.989	50	40	JHGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408611194	VJNFFQGSRIMWGS-BRJLIKDPSA-N	450.322	3.723	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408786958	YPSOAUJJSJNOOI-JVWAILMASA-N	493.585	3.883	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1	409150098	AEPGMQVJPHFRJC-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Nc1nonc1-n1nnc(C(=O)N/N=C2\CCCc3ccccc32)c1CSc1ccc(Cl)cc1	9497677	DSDKHEBLWBDQFM-KOEQRZSOSA-N	494.968	3.649	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1C	19949287	UUNWNMKFDYLPSO-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
COC(=O)[C@@]12C(=O)[C@H]3[C@@H]4[C@H]([C@H]5[C@H]3[C@H]3[C@@H](Br)CC[C@H]3[C@H]51)[C@@H]2[C@H]1[C@@H](Br)CC[C@H]41	104287258	BOWBYLVCHPOQNM-CERIXWONSA-N	484.228	3.676	50	40	JHGB	
O=C(NN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)c1ccc(Cl)cc1Cl	408640708	BPCWKWJPGMNCEB-VLEAKVRGSA-N	498.986	3.560	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	408841903	MDNKJJJJCVUDOK-WPWMEQJKSA-N	482.537	3.520	50	40	JHGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1nn(-c2ccccc2)c(N)c1C#N	408945250	NKXBGFJCHDEXFO-UVTDQMKNSA-N	465.311	3.582	50	40	JHGB	
C[C@H](C(=O)N/N=C/c1ccc(N(C)C)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409027785	HHMOKUDPIZAVQY-YRDQYSPCSA-N	480.590	3.850	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1	409150929	FCIRICLXGYNNGL-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1	409226045	SMEKKNUUSNHTQP-MYYYXRDXSA-N	460.446	3.926	50	40	JHGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	409251542	RATJHLFLRQOVOA-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409268294	YUBXEKZFZRWBSA-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1	651095	HCXPYTZGHCELJE-UHFFFAOYSA-N	473.558	3.708	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1	28215162	YFVPTFIADSLWJK-VULFUBBASA-N	467.909	3.895	50	40	JHGB	
COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1ccccc1Cl	226336194	HGPCEDLBCSENAI-VOTSOKGWSA-N	458.683	3.535	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(C)cc1	408784536	UHVJYHJPMHWVCS-YDZHTSKRSA-N	461.927	3.596	50	40	JHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1	408851951	CDZJKDFAQDMWGO-CHHVJCJISA-N	476.270	3.594	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1	408863940	VQHZUNGKQKZAKE-NLRVBDNBSA-N	463.559	3.905	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1C	408976705	BWRNSBLQHPUYCM-NWJFTTBMSA-N	465.575	3.872	50	40	JHGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1c(/C=N\NC(=O)c2ccccc2)cccc1[N+](=O)[O-]	409225610	NEWNAFLVFDFQHK-WFWALWOCSA-N	460.402	3.886	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1	1512768	LSJFWWWKRPWWPQ-HZHRSRAPSA-N	451.556	3.721	50	40	JHGB	
O=C(NNC(=S)NC1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3231859	IKXDUVWMIQXHKZ-UHFFFAOYSA-N	467.016	3.582	50	40	JHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(I)cc1	10118505	XNQYISWEMAQQAE-CNHKJKLMSA-N	473.064	3.546	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)NNC(=O)c1cccs1	12695563	XGSRPTPWTWBHIA-UHFFFAOYSA-N	468.604	3.902	50	40	JHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)COc1ccc(Cl)cc1Cl	13562682	GCALHHRZVOADAO-WYMPLXKRSA-N	452.294	3.664	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC	16137062	MIQYIUCVWOPHMX-KOEQRZSOSA-N	467.547	3.683	50	40	JHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240441	YPBPVGRSRVQUIE-OVVQPSECSA-N	457.534	3.677	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	59417043	JTIOGQLLWLCTRK-ZMOGYAJESA-N	475.486	3.933	50	40	JHGB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104192319	IBEHJWZVRGREKP-UHFFFAOYSA-N	482.476	3.917	50	40	JHGB	
CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC	108135534	ABUSAXHNSPRUSH-PKAZHMFMSA-N	495.601	3.744	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(Br)cc1	408776613	XHBAPKUDAAJYME-FYJGNVAPSA-N	472.792	3.717	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	408825830	ARJGWQBCVWWORP-ZXVVBBHZSA-N	478.574	3.689	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1OCc1ccccc1	408868301	PKCQOBPMCHCNGQ-JVWAILMASA-N	495.601	3.807	50	40	JHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	408879691	COEPQDDMIBUJBL-YZSQISJMSA-N	467.522	3.736	50	40	JHGB	
CCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409063472	LKPNOSSSHVFEGT-LDADJPATSA-N	466.494	3.929	50	40	JHGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1cccc(Cl)c1	8820463	MHYKLCUUAURCJE-KGTQDBRDSA-N	471.991	3.949	50	40	JHGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1	12032435	KQZGUXDWNMVYSU-LICLKQGHSA-N	487.519	3.546	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1	16712530	RNXWCEYRCZNPGY-BRJLIKDPSA-N	480.937	3.636	50	40	JHGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)NCCc1ccccc1	59960518	KJERUZSQCSISSI-RHANQZHGSA-N	492.963	3.557	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1	408896389	QUGZJRBDNGSILR-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1	408977032	CGLQZEGDWMHHFA-LWROZRRASA-N	480.546	3.772	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1	409153127	CQMZTHKJXWHTHU-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])cc(I)c1O)c1ccccc1	409238105	CAZQVYUJWJOOAW-DKTFCQPKSA-N	463.231	3.689	50	40	JHGB	
O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)NNC(=O)c1ccc(Cl)cc1	900275	VJQJASVGLCFTII-UHFFFAOYSA-N	478.965	3.595	50	40	JHGB	
O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cc2ccccc2oc1=O	1095821	HDIUGKFIIQZSEN-UHFFFAOYSA-N	467.275	3.549	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2)c(C)c1	3470846	PUNQTDOGCQOGQZ-WYMPLXKRSA-N	496.501	3.505	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1OCC	9846691	VJYSECFNFBXOHE-YZSQISJMSA-N	499.589	3.808	50	40	JHGB	
CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	12250314	UIHZVHVMKQXOMK-YADHBBJMSA-N	479.558	3.503	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(OC)c(OC)c1	19861172	HBALBKBPVPSALT-ZPEMVYHUSA-N	496.549	3.798	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)c(OC)c1	59437001	KISWSBVAHRRAJW-XQNSMLJCSA-N	473.576	3.501	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	101444958	ODDDSEGRTUEPNP-PTEOKISQSA-N	477.978	3.731	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)cc1	408794542	JLQLPUUGEPGZQI-RIYZIHGNSA-N	462.243	3.609	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	409156386	SDHAOEAQVMEKPG-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409257237	RQCQXYJXMTUMES-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(F)cc1	2273977	NXJLCMHOAXCVCQ-SFQUDFHCSA-N	477.970	3.922	50	40	JHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC	6600561	PPGDSHFRRFASSX-MOSHPQCFSA-N	461.518	3.774	50	40	JHGB	
O=C(COc1ccc2ccccc2c1Br)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8894465	OBMAMYUWBOIUMR-UHFFFAOYSA-N	461.228	3.941	50	40	JHGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1	13069900	ZQHPJLFNFCQNDW-NLRVBDNBSA-N	468.579	3.758	50	40	JHGB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	16205702	WXRGTWFGKQJKAY-UHFFFAOYSA-N	483.450	3.562	50	40	JHGB	
O=C(Cc1ccccc1)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccccc1Cl	17211321	BZPAJRJMTBCQFV-ZYPBBJIESA-N	491.891	3.694	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	35225727	HUIIHTZCYXTJID-CYUILNSLSA-N	454.486	3.838	50	40	JHGB	
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	70039079	JIKYEJYEDPLNTN-KDOFPFPSSA-N	462.344	3.551	50	40	JHGB	
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)/C(C#N)=C(/C)N	104378239	ANWYEJSBFFCBSQ-JZJYNLBNSA-N	463.563	3.588	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C\c2ccccc2O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	108214292	SOUQNIFXPLNWEW-DICXZTSXSA-N	479.602	3.967	50	40	JHGB	
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccccc2)c(C)c1	108233800	ZFLSUHBFDRAKFS-IMRQLAEWSA-N	463.603	3.996	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	408744812	NDIWEEHYUYBWEC-NVNXTCNLSA-N	459.296	3.864	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1	8880973	HPXIHNYWHWWUTF-CAOOACKPSA-N	465.462	3.648	50	40	JHGB	
Cc1ccc(S(=O)(=O)/N=C(/CCl)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1	10078380	IOWHVXRTEAYHMM-JDSGXEOOSA-N	498.070	3.618	50	40	JHGB	
O=C(NNC(=O)c1cc2c(F)cccc2[nH]1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	12792403	FDYKITPKMNDESC-UHFFFAOYSA-N	486.912	3.836	50	40	JHGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)COc1ccc(Br)cc1C	14921801	CSMQWSAPIHLGOH-ZVHZXABRSA-N	466.763	3.988	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	20061295	HMGPHEQTZHSQNQ-QZCBGFPPSA-N	495.601	3.969	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1	58873598	IVFXERLEMOYDDA-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408800841	RJNRAVXHHRVAIS-VGOFMYFVSA-N	475.295	3.784	50	40	JHGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408842092	INXKUJLMOLXDFZ-LSPHWGGMSA-N	459.418	3.919	50	40	JHGB	
COc1ccccc1OCC(=O)N/N=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1	409018422	WSZPZYKYWISJST-DICXZTSXSA-N	461.518	3.859	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2OC)cc1	409025928	ASCIXNBVQVINAX-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(F)cc1	409170334	UWBOXEYNQLCTHB-RWPZCVJISA-N	492.507	3.639	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409172079	GWKZTCPPKQRSKG-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)c(OCC)c1	409254752	FKDUMLGIJDBRFA-WSDLNYQXSA-N	467.307	3.651	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1	409310204	SBHISZPYJGRLJR-RTBURBONSA-N	470.934	3.798	50	40	JHGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)c1ccccc1	59960087	GSWKOEDDLFOGSM-JEWIKEISSA-N	478.936	3.685	50	40	JHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(I)c2)cc1	408788944	GOVFMJHMLCFVGQ-NTEUORMPSA-N	462.243	3.632	50	40	JHGB	
COc1ccccc1N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)S(C)(=O)=O	408923663	ZSCFWQWGJVDTGR-WGOQTCKBSA-N	461.543	3.918	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1Br	409091268	OZRPLNWONUMPKR-AWQFTUOYSA-N	472.124	3.924	50	40	JHGB	
COc1cc(Br)c(/C=N/NC(=O)c2cccc(I)c2)cc1OC	658110	RZOAJEFRIRQJLM-DJKKODMXSA-N	489.107	3.835	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1	1269540	QZEZLEOALKARBY-BRJLIKDPSA-N	480.933	3.693	50	40	JHGB	
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NNC(=O)c1cccs1	9963595	MXTKBNGQETXTBB-UHFFFAOYSA-N	455.590	3.670	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)CSCc2ccccc2Cl)c2cc(Br)ccc21	14186259	GIGHNHIPDIBRLJ-OQKWZONESA-N	452.761	3.833	50	40	JHGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@@H](Br)[C@@]2(O)C(C)=O)C1	25663357	DHFXZXVWFURDJS-DPXYMQEQSA-N	469.416	3.833	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	58915138	WSVCQYDPRQDMAG-NTRYICDMSA-N	482.606	3.716	50	40	JHGB	
Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCOc2ccccc2Cl)c2ccccc21	103041212	XIOIWDRAJIPZJH-ZZIIXHQDSA-N	463.921	3.973	50	40	JHGB	
CCOc1ccc([C@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408602534	CHDDKCMHTXCGMI-FQEVSTJZSA-N	455.584	3.737	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1	408609744	LGWDGSMYAMUAIR-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3cnc4sc5c(c4c3=O)CCCC5)cc2)ccc1O	408732409	QYHVDZMSUKJRIX-UVHMKAGCSA-N	474.542	3.804	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1OC(C)=O	408766170	ZWDGSQGIJFEIKS-ZROIWOOFSA-N	462.243	3.771	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408766292	BNRVMHQMXQTNIR-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OC)c(OC)c2)cc1OCC	409318412	WKKZFNPSZLPUEV-UUYOSTAYSA-N	498.317	3.870	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2cccnc2)cc1	1479552	RAEXDIHYSSEXLQ-CVKSISIWSA-N	458.547	3.970	50	40	JHGB	
C[C@H](NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2	9850443	BPCXLUOCOCTECR-NSDYXAQKSA-N	465.516	3.968	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	12363195	AVPRZRQAGNWYTD-OPEKNORGSA-N	495.388	3.577	50	40	JHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O	12516788	QQANVVDBAIGZFG-UHFFFAOYSA-N	474.970	3.743	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	20060102	QRSIDEJPEYOGCV-PCLIKHOPSA-N	496.545	3.648	50	40	JHGB	
COc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC	26642027	WGCYSNZQQDRSOL-DKZUSZBYSA-N	475.545	3.812	50	40	JHGB	
CCCOc1ccc([C@H](C)NC(=O)NNC(=O)c2c(C)nc3ccccn23)cc1OCCC	40024120	QWKSELBZRZWKGX-INIZCTEOSA-N	453.543	3.926	50	40	JHGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Br	58926443	CWYXPQJPHGWHBM-FSJBWODESA-N	494.342	3.835	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	100145385	RYQZQTPYOPTEQD-KSZLIROESA-N	470.348	3.540	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	211030806	WPFWCGHZFCNYGZ-NCELDCMTSA-N	451.548	3.739	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1	1254753	LZFMCDWSYSBBFS-ZVHZXABRSA-N	469.567	3.623	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1	2312136	ZUHSVHUZYLIAEF-KRWDZBQOSA-N	451.504	3.525	50	40	JHGB	
CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccccc2CC)=C(C#N)[C@@H]1c1ccccc1F	12250113	WXTPTCOQXUJJDT-VXKWHMMOSA-N	481.549	3.888	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Br)c1	20060489	UURDECUDYVWYDY-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
COc1ccc(CC(=O)N/N=C(/C)c2ccc(/C(C)=N/NC(=O)Cc3ccc(OC)cc3)cc2)cc1	22744291	UABSYRBFHMYMER-GOLAWLNDSA-N	486.572	3.870	50	40	JHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	33777856	IVNAKVZFZNRXQJ-JFLMPSFJSA-N	476.558	3.667	50	40	JHGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OCC(N)=O)cc3)o2)cc1	35128392	KDZNBGHBYKHPIG-FDVSRXAVSA-N	486.528	3.894	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCC(=O)O	408749353	NPUUHPILMVFZTN-ZVBGSRNCSA-N	455.692	3.729	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(Br)c2)cc1	408761351	ISXLGKZNZHVSTG-PPRFWAEMSA-N	466.401	3.601	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCC(=O)O	408809085	HJDYQNWZJXWGBP-WJHGTXIHSA-N	459.296	3.705	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)c1cccc(Cl)c1Cl	408905964	BMNXGIBNMJBAAL-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1	409014621	NJBKEYBMLVTNSC-FOBKEZNCSA-N	489.959	3.609	50	40	JHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(I)c1OCC(=O)O	409048817	UEDGTZVRHAMRKK-WUXMJOGZSA-N	476.226	3.969	50	40	JHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC(=O)O)c(OC)c3)cc2c1	409188498	CCNIKLYPUCFITI-RMORIDSASA-N	491.294	3.830	50	40	JHGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)N3CCC(C(N)=O)CC3)c3ccccc32)cc1	872852	PEPYIQQBXVEOHZ-LTGZKZEYSA-N	456.546	3.660	50	40	JHGB	
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O	3766236	XDIUZTCVXNCJQJ-IEBWSBKVSA-N	494.598	3.513	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	9315966	ZHJGMJGQBVEKCW-UHFFFAOYSA-N	466.538	3.571	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCc1ccccc1	59333510	ROOBFFZXHBZQJL-SXGWCWSVSA-N	462.287	3.874	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1Cl	102066043	RXFAHDIVTYLKTD-LPWJVIDDSA-N	464.585	3.940	50	40	JHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)c(OC)c(OC)c1	408608263	VRJONIIZKPJROQ-QGZVFWFLSA-N	461.975	3.610	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408977634	DZXANGBRRYYLQV-YALBQKEFSA-N	451.548	3.564	50	40	JHGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409016527	VDJXQTJXLXSJQU-KEBDBYFISA-N	483.262	3.647	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409125995	KXSWODNWJTWFQH-VQTJNVASSA-N	469.950	3.758	50	40	JHGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)c1cccs1	15938522	HKGFIFCWCUHUHG-UUASQNMZSA-N	451.083	3.585	50	40	JHGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Br)c2)o1	15938666	XOBHFJZUDLGKJV-QCVIXPQQSA-N	452.308	3.689	50	40	JHGB	
COc1ccc([C@@H]2[C@H]3CN(CCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851538	KPJAPUKRHFPZCS-JYFHCDHNSA-N	465.557	3.672	50	40	JHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	19926332	WRFVXSFWNUKXOD-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
COc1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	26608149	RSKSEPAJYAKYCB-RPWUZVMVSA-N	465.513	3.757	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408827539	KGAZHAJBSKBGNM-WPWMEQJKSA-N	498.992	3.899	50	40	JHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408887564	RRLVJSQYQHEILY-LFIBNONCSA-N	494.441	3.816	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC	408978830	KOLJMSJAYUUEIL-NTRYICDMSA-N	476.489	3.624	50	40	JHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1	409194430	BUCUCRHZWXZLCM-CIAFOILYSA-N	457.486	3.833	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OC	409310455	BFXWMRUWPFAUSN-UQQQWYQISA-N	466.515	3.792	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(I)c1OCC	409364200	VXLYWGJEUNXYCY-FOKLQQMPSA-N	485.297	3.790	50	40	JHGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1Br	2335087	YWVAVBOGPOXJFB-FQEVSTJZSA-N	480.318	3.808	50	40	JHGB	
CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1	2406632	KLFDZDXKTPYNNO-LTGZKZEYSA-N	489.601	3.757	50	40	JHGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1	8764032	IVHFQYCPEITTKP-HMMYKYKNSA-N	483.615	3.700	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC	8812911	OACOOAIORCBUGW-FSJBWODESA-N	479.327	3.562	50	40	JHGB	
CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9109458	XVLQXVUFVFCMDB-OAQYLSRUSA-N	464.543	3.860	50	40	JHGB	
Cn1c(C(=O)NNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc2cc(Cl)ccc21	9849834	QGGJPHVXRDNFQM-UHFFFAOYSA-N	483.739	3.555	50	40	JHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10476002	WDVOJSALMVDRHT-OEAKJJBVSA-N	494.329	3.956	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	19953070	BYXDCFRVSLFBFG-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	59435467	FOQJAFPDAQZFNR-OVVQPSECSA-N	493.585	3.601	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC	408772186	CBQZXZWGKURRDE-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1O	1784656	BYMPZSGVOWACKY-KBKYJPHKSA-N	462.531	3.688	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OC(=O)c1ccc(Cl)cc1	2412853	QSERTXQAKWFMAK-LSHDLFTRSA-N	476.967	3.970	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)c([N+](=O)[O-])cc1OCc1ccccc1	27497240	IEEVPGYEIPMFHL-OPEKNORGSA-N	465.491	3.770	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2c(c1)OCO2	59334330	JODCSZOKVASZTI-UUASQNMZSA-N	459.296	3.761	50	40	JHGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	103560458	WTPJFJSDCQNWJK-VPBXCIAMSA-N	490.475	3.767	50	40	JHGB	
COc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	408747337	MMASCIVJMPSESV-ZVHZXABRSA-N	484.306	3.752	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O	408778495	VLMVCTKTTMQQFM-WGOQTCKBSA-N	481.574	3.753	50	40	JHGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O	409008114	UCJZMEWHBKZEEJ-RWPZCVJISA-N	460.534	3.657	50	40	JHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccc(OC)cc2)cc1	1474596	GCRRDYIGDLNCSN-CVKSISIWSA-N	489.557	3.900	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1O	1479364	PKRLJONJGJNKRU-VULFUBBASA-N	474.546	3.594	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	19926226	DWVKMUCRBCSHPJ-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)CC1	57315308	PAYQPRZVOLLEQM-OVVQPSECSA-N	473.533	3.690	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2F)cc1	58883698	BCQBKBUPBLHXFJ-YZSQISJMSA-N	453.539	3.518	50	40	JHGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CN3CCOCC3)cc2Br)cc1	59246560	AWWNNKZZFDJZHD-MSXFZWOLSA-N	480.790	3.772	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c(OC)c1	108938218	CLHNYQHUCMYRQV-AFUMVMLFSA-N	465.462	3.964	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408944231	UQDQBLRTMHDPGR-CVKSISIWSA-N	485.993	3.998	50	40	JHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	408972333	RPPHCQAKWLHWFF-ZXVVBBHZSA-N	477.586	3.817	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1	409166789	FSCPRNXKCCYHIJ-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccco1	1437579	PSUDOORUPODVNK-XLHYMUBZSA-N	471.263	3.551	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nnc2-c2ccccc2)cc1	1478297	PVLBIMKPMQMNJJ-UHFFFAOYSA-N	484.541	3.508	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C(C)=O)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	9980975	MHTRGMKPBKJNNU-RTWAWAEBSA-N	497.960	3.652	50	40	JHGB	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	17399670	DUIJTWSMVSEUIE-HSZRJFAPSA-N	499.596	3.610	50	40	JHGB	
O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)c1ccccc1NS(=O)(=O)c1cccs1	20791378	ZVZGVUNZFGFLBO-UHFFFAOYSA-N	460.924	3.938	50	40	JHGB	
CC[Si](CC)(CC)O[C@@H]1CO[C@H](Oc2ccccc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	253488609	BFEHWXCZKFZQCB-IVAOSVALSA-N	469.563	3.584	50	40	JHGB	in-vitro
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1	409161471	XSTZFNPRSQNMMI-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409256693	OSQCZXKJOIROFH-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
Cc1c(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccn2c1C(=O)c1ccc(F)cc1	9540525	CEYMAAXEASFJAI-KVSWJAHQSA-N	471.414	3.983	50	40	JHGB	
O=C(CCN1CCN(Cc2ccc3c(c2)OCO3)CC1)N/N=C/c1cccc(Oc2ccccc2)c1	22940572	WEZUMBRUJMJIHT-VUTHCHCSSA-N	486.572	3.866	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	35409501	KJUHOEBGLKGCLM-WKIKZPBSSA-N	492.488	3.863	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc(OC)c1OC	61992910	JOHSIMWQSZWYTL-SQEMJAKJSA-N	476.577	3.819	50	40	JHGB	biogenic
O=C1[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1	100751847	JAFJTLMZCVSLGT-FXGIYHRPSA-N	467.079	3.988	50	40	JHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408608270	GZNLPAJSKLGCTA-DKZNWEEVSA-N	452.338	3.946	50	40	JHGB	
O=C(CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12	408673371	RPBWEPFONGOTNG-FZKCQIBNSA-N	494.183	3.700	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408779008	OUQMESFIVLYGKV-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	409054548	BPNAHVQNKHSMHW-BCHBDCPOSA-N	459.815	3.849	50	40	JHGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1	409224405	LCJKYXOXSXJLHQ-NFOYZZEQSA-N	460.402	3.886	50	40	JHGB	
O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12289759	XQKFNUCVPLIKBR-NTCAYCPXSA-N	478.961	3.941	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(OC)c1	57315300	IFRHZPBIWQMKKV-TURZUDJPSA-N	458.562	3.790	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(OC)c1	109051622	JTLZDIZKPVXJIE-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1	408781753	DOSCRWJULGQOHC-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COc1cc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC	409224938	OBTKRYPEWUQSHZ-UHFFFAOYSA-N	483.908	3.693	50	40	JHGB	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	409225857	RJVARABDHJMABN-UHFFFAOYSA-N	471.391	3.761	50	40	JHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Nc3cccc(Cl)c3)c2)cc1	3231458	RPDFLJDFDLJSMS-UHFFFAOYSA-N	474.926	3.616	50	40	JHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C[C@H]1Sc2ccccc2NC1=O	13135051	GQJUVKUHAHJDHR-QGZVFWFLSA-N	468.362	3.803	50	40	JHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)n1	24992409	YDWWHAYUWAPMCO-UHFFFAOYSA-N	494.577	3.947	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl	59246986	XEEBTZFSAKMXTH-MXAYSNPKSA-N	466.365	3.753	50	40	JHGB	
COc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408690111	ZRPSYQDYWZJOAO-IXFQNSDBSA-N	458.308	3.997	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C\c2cccc(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408721050	JDAOHYCKGJMHAD-MYYYXRDXSA-N	496.545	3.566	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)ccc1O	408738627	STBQECXIJMMLOA-ZHDAQUIUSA-N	486.528	3.870	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1O	408765683	ZLDAFQZPHUGVAH-AWQFTUOYSA-N	496.330	3.514	50	40	JHGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408772550	MXSUYJPARDARMU-SRROCSICSA-N	451.446	3.990	50	40	JHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)c2C)c1	408830855	OQFSMDXWXXMSSC-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408857506	HLQWOMGOQVWOEL-NKVSQWTQSA-N	477.142	3.715	50	40	JHGB	
Cc1c(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)sc2ncnc(N)c12	408973997	UBKPUYKERYSWSU-NSKAYECMSA-N	462.491	3.833	50	40	JHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409028480	NQTCHGARPFMADV-WSDLNYQXSA-N	458.367	3.699	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1C#N	409248856	RRXAKVABHHNEFS-LGJNPRDNSA-N	461.547	3.795	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1OC	6141951	LOISNDOMTHBOAJ-HYARGMPZSA-N	459.549	3.720	50	40	JHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1	8812591	USAUGWOLEPNRNS-UFWORHAWSA-N	458.106	3.698	50	40	JHGB	
CC(C)(C)c1cc(NC(=O)CSC2=C(C#N)C(C)(C)[C@H](C#N)C(=O)N2)n(-c2ccccc2)n1	9049381	PSRJGXKNZVGYLF-MRXNPFEDSA-N	462.579	3.872	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1O	10476120	AVNYDNHXZDEBSF-DJKKODMXSA-N	489.107	3.922	50	40	JHGB	
C[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	24751064	BMQCKVJOTRUGKU-CYBMUJFWSA-N	453.326	3.510	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c1	59401532	KRADIFGEEVEKRS-LFVJCYFKSA-N	469.588	3.763	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OC	408871567	HJCYDDLYAGTUMC-BRICTROGSA-N	456.324	3.975	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409024757	GXDRNTCFICEDFI-YDZHTSKRSA-N	471.410	3.756	50	40	JHGB	
CC(C)(C)CC(C)(C)NC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	2636790	CJVFZSFUNVNQLW-UHFFFAOYSA-N	468.670	3.873	50	40	JHGB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccncc1	9427872	MLYGELFJTBYYTM-VULFUBBASA-N	475.599	3.963	50	40	JHGB	
C/C(N)=C(/C#N)C(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1	9562736	OCTLSRUESGTHPN-SAPNQHFASA-N	454.939	3.699	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	12870347	CTLOHYNHTRCRBN-UHFFFAOYSA-N	457.455	3.640	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccncc2)cc1	16712546	MNBWOJOKEGLOGM-AFUMVMLFSA-N	473.518	3.788	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	19955292	PQUCWQARRQDCQY-KOEQRZSOSA-N	452.580	3.602	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1	20059242	OCFHXFABLSGICA-JVWAILMASA-N	493.585	3.959	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1Cl	20209303	MWUVQQRNXZOUIL-MFKUBSTISA-N	471.966	3.835	50	40	JHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	28214229	ORBGHKZJEVBJCJ-WXMOSKGGSA-N	475.998	3.645	50	40	JHGB	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NNc1ccc(Cl)c(Cl)c1	32999495	PQIJENGIMOLEKI-MRXNPFEDSA-N	457.339	3.896	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	58915299	SQMCIJRLGBCSCP-WGOQTCKBSA-N	482.606	3.718	50	40	JHGB	
CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br	408765105	ZLJZSIUVXJHAMX-UFWORHAWSA-N	485.088	3.809	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cc(Cl)cc(Cl)c1	408781150	AFKSQBDKEKZTGM-FOKLQQMPSA-N	466.346	3.769	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)c2C)cc1	408826774	CYMIPNFPJVSERP-AFUMVMLFSA-N	472.998	3.972	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(I)c1OCC	408873061	MMVYUZXKZPZJBS-MTJSOVHGSA-N	468.291	3.861	50	40	JHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)O	408888434	ZVKPVFZKVCXBCH-FOWTUZBSSA-N	493.453	3.606	50	40	JHGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)O	408903880	AUNSZQATPUGALE-NKVSQWTQSA-N	497.289	3.536	50	40	JHGB	
CCCN1C(=O)/C(=N\NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc21	1784708	ZBYJAFISRKRJJR-FAJYDZGRSA-N	485.569	3.711	50	40	JHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1Br	2311725	GCAFNRHJZPGPSY-LSHDLFTRSA-N	463.719	3.831	50	40	JHGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)nnn2-c2nonc2N)cc1	9470672	UUBDLXGTWLGEIB-RWPZCVJISA-N	494.515	3.551	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9846812	QHZNCPJZJDAJAZ-FSJBWODESA-N	451.395	3.853	50	40	JHGB	
COc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC	12291909	XSGXRUPINXTMRO-UHFFFAOYSA-N	486.377	3.505	50	40	JHGB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NNC(=O)CC(C)C)cc1	12651860	DXFSXAXXEYXULV-QNGOZBTKSA-N	463.563	3.997	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1	58882025	RNKDLHMXZUUVRI-STBIYBPSSA-N	496.523	3.955	50	40	JHGB	
C[C@]1(C(=O)OC(=O)[C@@]2(C)CC2(Br)Br)CC1(Br)Br	97949551	JAUDUUFMCWXOBP-HTQZYQBOSA-N	497.803	3.848	50	40	JHGB	
CN1/C(=C(/C#N)C(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)Sc2ccccc21	102954415	XYPBJDFMWGALMK-GXPOEHQZSA-N	470.938	3.529	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2O)c(C(=O)OCC)c1C	408546404	ITVBCLUITLVITP-RIYZIHGNSA-N	472.475	3.743	50	40	JHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408768651	ZODSMHWNIRHDLS-CVKSISIWSA-N	499.976	3.919	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OC	3220080	JRUHUMRLAQJBPT-FDBZCLHMSA-N	484.512	3.847	50	40	JHGB	
O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	20214585	WPDSDORLWHJMMP-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	20347480	SKBOALORHBSOEY-NRFANRHFSA-N	458.536	3.512	50	40	JHGB	
Cc1cccc(C(C)C)c1NC(=O)/C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=N\NC(=O)CC#N	104295341	GDWHXJGDZLZPMH-UQQQWYQISA-N	466.454	3.502	50	40	JHGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1Cl	105250095	LMZWDCKBXNZIFK-GFZWBPOBSA-N	487.221	3.627	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1	408762198	JOPYUVSFBGDSLP-SGCYSOCQSA-N	484.534	3.616	50	40	JHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	408860910	IBYVNQVUCCPRSM-DHRITJCHSA-N	463.893	3.964	50	40	JHGB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1	408936489	KLXKXKYLXRXOGD-BUVRLJJBSA-N	486.391	3.790	50	40	JHGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CC1	408969142	IAKKSHKOMJTCJI-RDRPBHBLSA-N	487.604	3.518	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1O	408981659	WBGHZNSMPYILPQ-XBIXJXDHSA-N	481.574	3.659	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C	409269413	IYXJGGNVMSVUEH-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)nnc2-c2ccccc2)cc1	1242066	YPQRNFXJKCWKGX-UHFFFAOYSA-N	468.542	3.807	50	40	JHGB	
CCn1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1	8691781	AEWKLEXWPOSVRN-UHFFFAOYSA-N	462.579	3.827	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1	12276879	HCWYREWXDZNJOS-GOSISDBHSA-N	452.492	3.704	50	40	JHGB	
CCCc1noc(CCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)n1	12895050	AVCWZRXBYKTDKR-UHFFFAOYSA-N	456.930	3.957	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)NCCc1ccccc1	28215530	KPHMCOBSABYLLT-JVWAILMASA-N	480.362	3.951	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(C)(=O)=O)c2C)cc1C	58915214	XUNUMNRITGGCQS-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(C(=O)OCC)c1C	408545945	AHBGVYCTXURVEJ-OVCLIPMQSA-N	455.488	3.857	50	40	JHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408613010	YHJWPPZHHRZIBJ-RWPZCVJISA-N	481.936	3.703	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408786246	MYWODGUOUDROBZ-WYMPLXKRSA-N	477.892	3.674	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(C)cc2)c1	408834341	XTWLHMBMDLIILS-ZVHZXABRSA-N	487.603	3.728	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408905053	SMNMOOQNBQMFTR-RMORIDSASA-N	475.841	3.709	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)Cc2cccc(C)c2)cc1	409063309	KHPZVYMSJYQZRH-MFKUBSTISA-N	480.546	3.553	50	40	JHGB	
CCOc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409136959	UGHYYKVVWMAUMM-KRWDZBQOSA-N	464.259	3.622	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1	409262510	FNAJRGMXXBGULI-MLPAPPSSSA-N	493.155	3.930	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1	1474067	NUWMLOFIWVQCCJ-JVWAILMASA-N	487.585	3.703	50	40	JHGB	
N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cccc3ccccc23)cs1	2200358	YPODJVXBLVKMBT-DTQAZKPQSA-N	474.571	3.902	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2)cc1	3273620	XJHVRLUMENSBBP-UHFFFAOYSA-N	450.292	3.828	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Br)cc1	19947701	MFUMULQFRZYAIJ-HZHRSRAPSA-N	472.364	3.795	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)OCC)c(OC)c2)cc1	20197952	JBICPYOYJAHTAZ-ZMOGYAJESA-N	493.354	3.952	50	40	JHGB	
O=C(NNC(=O)c1ccc(Cn2cccn2)o1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	32913663	ODJUTXVJLCPAAS-UHFFFAOYSA-N	472.530	3.768	50	40	JHGB	
CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	58880914	UIOCWRZYXGVVNB-STBIYBPSSA-N	472.545	3.594	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)c2C)c(C)c1	58915275	JEIJTBHWEXMINK-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)cc2)C1	100815458	LYMLIPMOFSVQMS-RPQACBMKSA-N	450.564	3.833	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)c(C(=O)OCC)c1C	408547595	ZOPPPYFWDMCUGF-RGEXLXHISA-N	496.585	3.965	50	40	JHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408790801	YXDHEWIXOBPFLC-OQLLNIDSSA-N	476.270	3.697	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1OCC#N	408810477	JCURZTIWKXHARG-YVLHZVERSA-N	470.323	3.982	50	40	JHGB	
COc1cc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccco2)ccc1OC(C)=O	409226515	UBNAZZFIFNMZET-MSXFZWOLSA-N	456.838	3.850	50	40	JHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1	409376710	AFNPMCRDBZRMFC-PDGQHHTCSA-N	484.350	3.541	50	40	JHGB	
Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)N2CCC(C(N)=O)CC2)c2ccccc21	872848	KNGQFNKAOAKOAG-LTGZKZEYSA-N	456.546	3.660	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCC(=O)Nc1ccccc1	873372	CGECBZVNDJGHCH-XMMPIXPASA-N	459.502	3.918	50	40	JHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1O	888234	BTEPMLSBJRRYDG-UHFFFAOYSA-N	479.949	3.847	50	40	JHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)o1	2057420	VBQHVAXUGGOHMS-XOBIUNJKSA-N	484.534	3.759	50	40	JHGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cccc(Br)c3)sc2=O)c1	2233794	LFMAWGNNQXZKAW-LSFURLLWSA-N	494.754	3.836	50	40	JHGB	
COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)cc1	9088105	ZFDPWQKAXFNLQF-NHCUHLMSSA-N	481.530	3.654	50	40	JHGB	
N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1	16039187	WTPJFJSDCQNWJK-ZFFYZDHPSA-N	490.475	3.767	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl	17472369	AQXDWAPEVIPANY-KBKYJPHKSA-N	476.316	3.941	50	40	JHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	59960188	LMTFLWALNPQWKP-OVNWTWFZSA-N	492.963	3.993	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1	408833450	SLKBRGMIQWZOGY-GEGDGZKASA-N	461.518	3.724	50	40	JHGB	
C#CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc1	409012935	JGWIPZJXTVPMKT-BPRIINSWSA-N	483.568	3.572	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1	409109943	OIZWKVHRSOARBU-MFKUBSTISA-N	487.965	3.790	50	40	JHGB	
Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])n1	409120659	RPFOKKJOBBAHMQ-NHDPSOOVSA-N	452.452	3.825	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1C	409154313	OLGNREWGWPSBOF-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccc3)cc2Cl)c(C)c1	409169496	QBSDZRLKJXCDTC-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O	409191427	HDHCRLWGTGFIKZ-ZVBGSRNCSA-N	455.692	3.729	50	40	JHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Br)cc1	409251684	VQCXWMMTVZAVJP-MLPAPPSSSA-N	464.703	3.792	50	40	JHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCN(Cc2ccccc2)CC1	409349520	PVTZELPXKLIRFG-UHFFFAOYSA-N	494.592	3.789	50	40	JHGB	
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)COc1cccc(C(F)(F)F)c1	2661310	OUNCLSWHJXCPLH-UHFFFAOYSA-N	472.419	3.542	50	40	JHGB	
COc1ccc(F)c([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	27298121	RQMIJFNCXIQFAM-VWNXMTODSA-N	483.503	3.896	50	40	JHGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C(F)(F)F)c1	36635930	UUXZWCDMNROHEF-KOXKPCSVSA-N	461.465	3.886	50	40	JHGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(I)c1	408767465	YAHVHFIQOXHBNM-DJKKODMXSA-N	487.091	3.743	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1	408943642	UGWHYERAHVDMHW-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1	409165486	YPAQRXMMZYSRLM-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	409227290	XTROEGCNNZEBEV-DHLMYGRGSA-N	460.402	3.886	50	40	JHGB	
N#CSc1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1[N+](=O)[O-]	16544887	HSGPRMXSBDQTKU-WJDWOHSUSA-N	459.443	3.900	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1	19948824	HGKZZTWHUDOOKI-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1	19951093	XJBASTGYLLINJT-UHFFFAOYSA-N	450.358	3.691	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC	33778009	DXQNBZINZSUSKS-CVKSISIWSA-N	450.491	3.953	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nc3sc4c(c3c2=O)CCCS4)cc1	104847588	RXGSWWDCEKIKCV-VBKFSLOCSA-N	484.628	3.912	50	40	JHGB	
CN(C(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1)C1CCCCC1	408680755	GJIZCRSTVAIDGH-MUJBESKKSA-N	475.383	3.601	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cc(Cl)ccc1Cl	409025888	ZQALADDTPLVLGT-FOKLQQMPSA-N	466.346	3.769	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(C)cc2)c2ccccc2OC)cc1	409028247	KIESGWOTFAEUDA-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953119769	YZDMQLSOYVPEIW-OFNKIYASSA-N	455.671	3.791	50	40	JHGB	
O=C(Cc1ccc(N(CCCl)CCCl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)O	799090	XJRKDTNXNNSYTM-LJQANCHMSA-N	457.785	3.979	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1	8820034	AYIGGSSCIFVOFV-ZHZULCJRSA-N	497.598	3.638	50	40	JHGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCc3ccccc3)ccc21	9190692	ZSXOWYDKYIVBEK-UXHLAJHPSA-N	469.545	3.952	50	40	JHGB	
CCCCCn1nc(C(=O)NNC(=O)CCc2nc3ccccc3s2)c2ccccc2c1=O	9513853	DWTRZADBLMRQAF-UHFFFAOYSA-N	463.563	3.590	50	40	JHGB	
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1	9963908	JIEZPBDJWFSSTL-UHFFFAOYSA-N	467.591	3.773	50	40	JHGB	
Cc1cccc(-c2nnc(SCC(=O)NNC(=O)c3cccs3)n2Cc2ccco2)c1	12922230	OUGLFCOFTSHNTK-UHFFFAOYSA-N	453.549	3.510	50	40	JHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1	19948973	RZDCQHVQLOQOKJ-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cc(=O)n2nc(C)sc2n1	20331921	ISWJSZYECABUDB-CXUHLZMHSA-N	491.504	3.732	50	40	JHGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	32125025	SSDXZOJNSOPMAT-AFPJDJCSSA-N	474.886	3.963	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(Br)cc1OCC(=O)O	408798044	UJZQQEZAWHTDIH-RIYZIHGNSA-N	475.295	3.865	50	40	JHGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1cccc2ccccc12	408999753	SHRWXXXQRDSGOD-DICXZTSXSA-N	467.953	3.863	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1	409159808	VAKMVIKDILDGGO-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1OC	409165063	RWWGKJYXORTOMK-LQKURTRISA-N	488.544	3.672	50	40	JHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc(Br)c1	409356018	GBPKVUAGUBDQFF-FNORWQNLSA-N	451.136	3.989	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	2253964	RLWRSVZIAAMAGG-HSZRJFAPSA-N	488.500	3.543	50	40	JHGB	
C[C@@]1(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)CC1(Br)Br	2753104	LQMNURGDJUYVGU-GCCOPSLHSA-N	482.954	3.524	50	40	JHGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	8721625	ZHISQAHTUWYBEZ-ZCTHSVRISA-N	484.600	3.769	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3C)n2-c2ccccc2)c(C)o1	9507777	RWIORLJGVUUKOH-UHFFFAOYSA-N	491.573	3.918	50	40	JHGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NC[C@H]1CCCO1	32109624	OEDIZJFELFTGQU-ACEGTKJHSA-N	485.334	3.928	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(C)(=O)=O)cc1	58915498	ZQEZDOJUMRHMFO-CVKSISIWSA-N	482.606	3.636	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	58918359	RDDUNFNAVLWGFK-PCLIKHOPSA-N	499.614	3.771	50	40	JHGB	
Cn1/c(=N\NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2ccccc21	103050280	SLHYKEXPJQYSMX-SHHOIMCASA-N	478.599	3.627	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	408881592	NQBONKQXIQYFAF-KOEQRZSOSA-N	455.511	3.570	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2)cc1	408926694	WCAVWUBRGZIJNH-KOEQRZSOSA-N	451.548	3.739	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cccc(C)c2C)cc1	409025426	RCAOJIBCQXYBQW-MFKUBSTISA-N	451.548	3.663	50	40	JHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)c(OC)c2)cc1	12275435	PLIPRBRVVJZJEZ-KOSHJBKYSA-N	452.532	3.746	50	40	JHGB	
O=C(N[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	12375906	BFXQMTQSYYSVDM-WYJRTQJISA-N	494.338	3.851	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)CC2(C)SCCS2)cc1OC	13016268	FTRBTMADYHVJFP-VCHYOVAHSA-N	480.393	3.735	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1	19950587	ULRIOTFDTNQYAS-LGUFXXKBSA-N	481.574	3.748	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	19951403	MUYFNOFVQDFKCX-MFKUBSTISA-N	487.965	3.703	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1	408778226	RFVSVGIYQDTOFB-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1	408864452	VYSABYCMSFBNDM-HAVVHWLPSA-N	457.577	3.801	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)cc1OC	1054738	DALARSRDQKPDPM-ZVBGSRNCSA-N	471.149	3.791	50	40	JHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1092133	RXSCHUFQGDSEJH-ODCIPOBUSA-N	478.690	3.725	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)ccc1OCCc1ccccc1	1784079	PYIKTULNLBRZJP-CCVNUDIWSA-N	490.585	3.855	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	2709984	SBEXPMYQIORODA-HSZRJFAPSA-N	461.493	3.774	50	40	JHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1OC	9289493	TXOUPBMEWBMQNM-ZVHZXABRSA-N	454.504	3.686	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1F	9379748	ACBGMZKULYUMNX-RTWAWAEBSA-N	481.549	3.861	50	40	JHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)CNc2ccc(C)cc2)c1O	9934816	FTRYZSPHWRNOOE-ODCIPOBUSA-N	471.149	3.796	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC	16362823	HIXPJNGRPQNYOZ-XHPQRKPJSA-N	481.574	3.748	50	40	JHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccccc1I	16693970	WGQZIOWVTSPXBF-ATVHPVEESA-N	469.282	3.996	50	40	JHGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3Cl)c3ccccc32)c1	46084821	KLQCWRAQAJTEEO-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S(C)(=O)=O)cc1	58915250	MQNXPNSJXONDQM-MFKUBSTISA-N	452.580	3.627	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408775764	KMGILHZKIXSNPA-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	408865148	BEVAHQQBIZGOGO-YZSQISJMSA-N	481.574	3.581	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1	408908215	VSHRYAIFTAZNEN-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1	408908754	YNGGLNPJORDVSF-QZCBGFPPSA-N	495.601	3.969	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)cc2)Cc2cccc(Cl)c2)cc1	409059912	YQQQMZFPCXHCME-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
CN(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1	16187084	MTZRXWXVNFLSJS-BUVRLJJBSA-N	457.939	3.903	50	40	JHGB	
COc1cc(/C=N\NC(=O)COc2ccccc2F)ccc1OS(=O)(=O)c1cc(C)ccc1C	97991831	VDDROHPZESSQPL-WGARJPEWSA-N	486.521	3.748	50	40	JHGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)cc1	102323948	BESJOBNZQIRWNT-ZZIIXHQDSA-N	463.921	3.973	50	40	JHGB	
COC(=O)[C@@]12C(=O)[C@H]3[C@@H]4[C@H]([C@@H]5[C@@H]1[C@@H]1CC[C@H](Br)[C@@H]1[C@@H]35)[C@@H]2[C@H]1[C@@H](Br)CC[C@H]41	104287266	BOWBYLVCHPOQNM-LAQMQLKOSA-N	484.228	3.676	50	40	JHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	408762062	MRSGGAHFSFWEED-QVGKIPNLSA-N	497.573	3.797	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCC(=O)O	408802748	GVUKHGDCLCBMNU-KTHCSPGMSA-N	465.344	3.913	50	40	JHGB	
COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1OC	409024999	PEKFTNULWQZZDA-WYZSWBMLSA-N	497.573	3.801	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2cccc(C)c2C)cc1	409028115	HMNGEICPWCQBPT-OGLMXYFKSA-N	490.585	3.860	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1NC(=O)c1ccccc1	409216648	NDBSKIINKDWBHP-ZMOGYAJESA-N	469.339	3.780	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)n1	409229205	LEJWQDBJCQPXCA-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O[C@@H](C)C(=O)O	409229652	SKEWZVKZRVYOQG-NQWZYWRBSA-N	461.268	3.820	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409253017	AKPDDWURNSEAMD-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(C)cc1	934909	CAMDOVQGCZUETM-QUWSGOTNSA-N	456.365	3.930	50	40	JHGB	
O=C(CBr)Nc1cc2c(cc1C(=O)c1ccc(Br)cc1)OCCO2	1442228	XLSCPQUZMICBJZ-UHFFFAOYSA-N	455.102	3.785	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@H]2C1	8441966	DYHASFVFIWHPPG-JTHBVZDNSA-N	453.502	3.730	50	40	JHGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)C1	8771354	VACBKVNOWBZPAU-OGBKAESYSA-N	482.544	3.723	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=O)NC2CCCCC2)c(C)c1	9096953	JJTXOHKAOZVYLV-UHFFFAOYSA-N	461.544	3.971	50	40	JHGB	
O=C(CCNC(=O)c1ccc2ccccc2c1)NNC(=O)COc1ccc(OCc2ccccc2)cc1	12914220	NIEHGUZEPYDULE-UHFFFAOYSA-N	497.551	3.765	50	40	JHGB	
CC(C)(C)c1ccc(C(=O)NN[C@@H](CNS(=O)(=O)c2ccccc2)c2ccccc2)cc1	13148099	VFXDYUQZVMYOIV-QHCPKHFHSA-N	451.592	3.938	50	40	JHGB	
O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(CC(F)(F)[C@@H](F)Cl)cc2)C1=O	17877415	SRELTXQTSCWCOR-FZKQIMNGSA-N	458.845	3.916	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1	58881391	RBHFFJMOCQDQOM-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OCC	59436904	OJXWLLDSNXRTCO-WPWMEQJKSA-N	499.564	3.969	50	40	JHGB	
O=C(N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1Cl)c1ccncc1	104295282	PKKCFTNWUYFDDB-WDVUPWOTSA-N	468.300	3.905	50	40	JHGB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)Nc1ccc(F)cc1	408658866	JDBOEUSNNUEJEM-MKXGPGLRSA-N	493.318	3.735	50	40	JHGB	
O=C(c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)N1CCCCC1	408672952	PPBYUZLCCHOAKH-VQHPVUNQSA-N	498.215	3.739	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)c1	408830803	NRDVGYFDMMSZCH-GDNBJRDFSA-N	478.892	3.742	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	408875719	KFAHEJATSQEONY-YZSQISJMSA-N	467.522	3.736	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1OC	409009422	FOIYROKRLCILIQ-VULFUBBASA-N	451.454	3.624	50	40	JHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)c2C)c1	409113153	GXQDHDLICAQIMR-VULFUBBASA-N	470.570	3.766	50	40	JHGB	
CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]3(C)[C@@]2(C(=O)CCl)O1	504300649	MUQNGPZZQDCDFT-SKGSCGBUSA-N	454.966	3.889	50	40	JHGB	
COc1cc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)NC3=C2C(=O)CCC3)ccc1O	2222864	UIXNYLXVMHFFLT-DEOSSOPVSA-N	475.570	3.879	50	40	JHGB	
CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)ccc1O	9329878	HBRUISQAMQICKX-KRWDZBQOSA-N	453.520	3.510	50	40	JHGB	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl	15722052	BXNJBFCUDNXPPQ-SFTDATJTSA-N	460.958	3.569	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1	16196328	JIIIZIUANINGRX-AFUMVMLFSA-N	488.382	3.936	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	58913411	FADLSNXAIOPHLC-ZMOGYAJESA-N	469.339	3.954	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(C)cc1	408774087	AIHDNUCYSRNHHL-WGOQTCKBSA-N	469.538	3.878	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2ccccc2)cc1OC	409117525	OFQGWNOYWXAQQO-XQNSMLJCSA-N	473.576	3.501	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1c(C)cccc1C	409161093	WJFRXKYWPYCJSL-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c(OC)c1	660083	PIYXUFYPKBDAEV-ZCYQVOJMSA-N	495.539	3.766	50	40	JHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	9070188	DYHASFVFIWHPPG-FYYLOGMGSA-N	453.502	3.730	50	40	JHGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Br)c2)o1	15938670	XOBHFJZUDLGKJV-ROSLMWAESA-N	452.308	3.689	50	40	JHGB	
CN(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	16187025	RXPDYVRVJMCKGM-AWQFTUOYSA-N	479.183	3.527	50	40	JHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)cc1	27500562	SRXFXQGFMUAJQL-YDZHTSKRSA-N	454.379	3.853	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1	38683226	JOAGOPWLWHACDS-QHCPKHFHSA-N	456.454	3.919	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccccc1	408611635	RIUDNIILWFIOPG-LGJNPRDNSA-N	455.898	3.677	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1O	408805043	COLSSRVOJJBHKQ-MHWRWJLKSA-N	462.287	3.661	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	409028281	KYXFEEOHOHIORS-PCLIKHOPSA-N	496.545	3.511	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1	2221910	YCIZANJSXWFYQM-AFUMVMLFSA-N	489.513	3.545	50	40	JHGB	
COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC	2250833	UBUFWYZKZCFTQU-HSZRJFAPSA-N	488.500	3.543	50	40	JHGB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1	13774093	BRQGIADUAFIHKE-RGEXLXHISA-N	498.586	3.600	50	40	JHGB	
Cc1ccc(OCCOCCOc2ccc(/C=N/NC(=O)CSc3nnc(C)s3)cc2)cc1	16309027	ZNNRWEHHJRNPDM-BUVRLJJBSA-N	486.619	3.872	50	40	JHGB	
O=C(N/N=C\c1cccc(I)c1)C(O)(c1ccccc1)c1ccccc1	33325918	NHUAEMXYKCCOAY-HAHDFKILSA-N	456.283	3.677	50	40	JHGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1	33633620	DJINCAVRKKMUNJ-AQTBWJFISA-N	486.505	3.786	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(I)c1OCC	408531857	OVNAPRXRTHKMKJ-CIAFOILYSA-N	468.291	3.618	50	40	JHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408757631	BAPITZAOFXUTFD-ZMOGYAJESA-N	475.486	3.933	50	40	JHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1	408890667	XITBXYJWIKLSMU-VFCFBJKWSA-N	486.549	3.841	50	40	JHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OS(=O)(=O)c1ccccc1	408897748	SWSRCNUGYYOZKR-GHRIWEEISA-N	478.482	3.707	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409027870	FVAVKXQCZNRRME-PCLIKHOPSA-N	470.982	3.752	50	40	JHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)cc(I)c1O	409089691	OUGANHFSFCVRNL-UFWORHAWSA-N	489.107	3.840	50	40	JHGB	
C[C@@H](NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2	9850444	BPCXLUOCOCTECR-KWJFTMPMSA-N	465.516	3.968	50	40	JHGB	
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=S)NC2CCCCC2)ccc1C	12945062	OHXIMLGUTVNTAT-UHFFFAOYSA-N	474.652	3.652	50	40	JHGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)COc1ccc(Br)c(C)c1	14921954	GTYPUBROBTZLGF-BUVRLJJBSA-N	461.360	3.723	50	40	JHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59332984	XIIXSMDEWZZRFZ-YBEGLDIGSA-N	460.317	3.713	50	40	JHGB	
CSc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1	59922031	TYHRMTUKLUFQLB-HYARGMPZSA-N	496.452	3.722	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	408781184	BHCJCNLWTRCDCW-ZVHZXABRSA-N	457.939	3.700	50	40	JHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NCCc1ccccc1	408831627	ZWRUUVRBQVAYQA-JXAWBTAJSA-N	469.950	3.677	50	40	JHGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(N2CCCCC2)cc1	408961090	QYGYYRUEXLFPTH-HMAPJEAMSA-N	463.319	3.811	50	40	JHGB	
COc1ccccc1/C=N/NC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	408977631	DZXANGBRRYYLQV-ALAMRGAJSA-N	451.548	3.564	50	40	JHGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccccc1F	409014676	XYDYJMGOEBZELN-UFFVCSGVSA-N	456.255	3.878	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1Cl	409152121	AGRDSRUVBYYLHL-CCVNUDIWSA-N	499.354	3.777	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1	409267549	NOSXWHKEIVLUCJ-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc([N+](=O)[O-])c1	9789199	IQQAYISGUPJPMB-XIEYBQDHSA-N	480.546	3.878	50	40	JHGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	19950933	ULLAXKKSCNZHHM-OEAKJJBVSA-N	472.910	3.594	50	40	JHGB	
C/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	20059908	YGLQGJFQKZKIHU-JLPGSUDCSA-N	486.937	3.984	50	40	JHGB	
COc1ccccc1[C@@H]1[C@@H]2CN(C(=O)OCc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	26681013	LAONXHQLDPRNSR-ISKFKSNPSA-N	465.513	3.757	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)O)cc1	35152086	VLDXUNNTYJCFMD-YSMPRRRNSA-N	477.473	3.964	50	40	JHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(O)c(Br)c1	59447310	MVIIGQORNXSCAO-QGMBQPNBSA-N	457.078	3.518	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Br	104846534	GANIDKWDQVCVLM-WYMPLXKRSA-N	451.324	3.779	50	40	JHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)o1	107763294	QMFUCUWZIHENHX-BHGWPJFGSA-N	458.854	3.748	50	40	JHGB	
Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1	408660000	KMQLJKHOXPSJMB-YRXWBPOGSA-N	489.355	3.905	50	40	JHGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	409001049	GEIKUSTUZFHLOR-MTYDYXEWSA-N	472.929	3.733	50	40	JHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc3ccccc3Cl)o2)cccc1[N+](=O)[O-]	409175389	RDSNPKSWZAPQAC-HURLIOHXSA-N	484.896	3.850	50	40	JHGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC	1471820	HXUUGJMTZYUZLR-XMMPIXPASA-N	473.529	3.643	50	40	JHGB	
Cc1nnc(SCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)s1	2318571	CGQLJSBOGPAZGL-DJKKODMXSA-N	474.480	3.698	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc([N+](=O)[O-])cc1	9311036	KJCLGWIHCDIGRL-SRKIZSPNSA-N	451.479	3.775	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(CC)cc3)NC(=O)[C@H]2C(=O)OC)cc1	9320147	OTCNWQAHEOWDKA-GOTSBHOMSA-N	493.585	3.757	50	40	JHGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1)C(=O)O	9324393	CMKDQIGPDDCUNF-GCYXGZDWSA-N	486.116	3.533	50	40	JHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccccc3O)cc2)CC1	13285794	WQWQCCJZOJIZSC-VFCFBJKWSA-N	458.562	3.877	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	13769624	RYQZQTPYOPTEQD-BZSNNMDCSA-N	470.348	3.540	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1OCc1ccccc1	20207499	WRDXAWSWKJZYRE-WPWMEQJKSA-N	495.601	3.889	50	40	JHGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1	33862359	KIWQOMCPHDSUHF-KGENOOAVSA-N	471.513	3.945	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(Br)cc1	39986445	UNKZLNMEIYEQCA-HAHDFKILSA-N	478.412	3.923	50	40	JHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	59334188	IAOUENNQRJEAQO-DHDCSXOGSA-N	477.258	3.774	50	40	JHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O	408570491	VWLSCJBEZUINJY-SRZZPIQSSA-N	463.537	3.707	50	40	JHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408612483	VPTGDNBBZSYAPF-DDFZXGMKSA-N	452.338	3.946	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccs1)S(=O)(=O)c1ccccc1	408878117	WPNYPBRUXAHVSX-HAVVHWLPSA-N	457.577	3.801	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c1	409251448	QBHMUMWFTOCGSS-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)c1	8819221	KIRSFQYLCUVWEJ-LDADJPATSA-N	490.006	3.791	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953058	QNMCHEOFAWYZMC-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1	20233442	JOCVHVLXNGGHHX-CVKSISIWSA-N	499.976	3.841	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1)Nc1ccc(F)cc1	58881080	DCBJWUSOEKDZTK-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccc(C(C)C)cc2)cc1	59437026	VEZJAZCPFJOWJL-WGOQTCKBSA-N	450.564	3.859	50	40	JHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)/C(=C/c2ccccc2)CCO)cc1	72334077	DNLVEBPHUQACMY-JYTMCGJDSA-N	464.543	3.679	50	40	JHGB	
Cc1csc(C2=C3N(C/C(O)=C(\C#N)c4nc(C)cs4)C(=O)c4ccccc4N3CC2=O)n1	101510292	MFWQAKGQWCTUHW-ICFOKQHNSA-N	475.555	3.923	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	408884661	YTLWPYDSEVUCAA-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC)cc(OCC)c1O	409003575	SVQFVYDGAAHURB-FEGPCZTRSA-N	478.549	3.808	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1	409020460	PPQNJJWKRYZZLZ-WGOQTCKBSA-N	469.538	3.566	50	40	JHGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCOCC2)cc1	409108235	SPFKNCNGGDTUQZ-UUYOSTAYSA-N	497.187	3.577	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccc(Cl)cc1	9210692	ZMOWJKPHJDZSOY-ZMOGYAJESA-N	482.957	3.641	50	40	JHGB	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)CSc1cc(Cl)ccc1Cl	12671147	KZNJMQJAYHPEBM-UHFFFAOYSA-N	484.449	3.956	50	40	JHGB	
COc1ccc(S(=O)(=O)/N=C2/C=C(NNC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc32)cc1	101027855	BLRQRECQLHFHTH-HFTWOUSFSA-N	495.944	3.541	50	40	JHGB	
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408685696	PZOSGMZWGQHKDC-NCPBCQDQSA-N	453.745	3.973	50	40	JHGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc2c(c1)OCCO2	408868350	OBNDEUGLMOIFKO-XHLNEMQHSA-N	470.573	3.934	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1NC(=O)c1ccccc1	409215525	AOALEYOXAUXRMC-CFRMEGHHSA-N	469.339	3.780	50	40	JHGB	
CC(=O)[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@@H]1c1cc2c(C)cc(C)cc2[nH]c1=O	794671	QLVUUVHGXFTOAA-VXKWHMMOSA-N	460.921	3.828	50	40	JHGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	9501259	SBYKMWIPXBUGGY-HMMYKYKNSA-N	459.483	3.834	50	40	JHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCCCC2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	59087269	AFOVAAUOOXLDII-KGENOOAVSA-N	484.556	3.996	50	40	JHGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1OC	409024998	PEKFTNULWQZZDA-WNIQNGNASA-N	497.573	3.801	50	40	JHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccnc1	409028874	SBCBRNLPMHYJCQ-ZMOGYAJESA-N	463.346	3.734	50	40	JHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	885195	KGTHULDLCTZUMW-UFWORHAWSA-N	455.106	3.640	50	40	JHGB	
COc1ccc(CNC(=O)CCC(=O)NNC(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)cc1	12465559	VEYDBXOMGDUFPY-UHFFFAOYSA-N	486.528	3.826	50	40	JHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1	12633413	VDFKDGUPKOYQDY-KWJRATNCSA-N	484.622	3.517	50	40	JHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)COc4ccc(F)cc4)cc3)ccc12	12992954	PYWIULSTDLJHKQ-UHFFFAOYSA-N	476.460	3.660	50	40	JHGB	
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NNC(=O)c1cccs1	13149468	TYKWNVKQLKJNHN-JLHYYAGUSA-N	490.516	3.758	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)cc1OCC(=O)O	16688175	ASHUFFRNIJUUGG-JOCHJYFZSA-N	480.908	3.914	50	40	JHGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1	18097733	XFXBFLXIZVLIJJ-FQEVSTJZSA-N	456.329	3.796	50	40	JHGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	19956068	JOXZBCIUAINLKJ-UHFFFAOYSA-N	474.539	3.543	50	40	JHGB	
O=c1nc(O)c([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2ccc(Br)cc2)[nH]1	101459372	PLDFICKODQPQPR-HTQZYQBOSA-N	497.925	3.718	50	40	JHGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccccc2)c1	408875015	HMOBROUQTCARKT-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	408910571	XFDGPCAYGAWVEK-HGFFDCOOSA-N	470.529	3.945	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1	409007346	NZGVWGIRJTVSED-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC	409316763	MGEHGKNBNXQLAJ-XYGWBWBKSA-N	468.531	3.934	50	40	JHGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1	882897	KXMWYSATDZRXTL-UHFFFAOYSA-N	479.606	3.936	50	40	JHGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)CNc3ccc(C)cc3)c2)cc(OC)c1OC	1212862	UJILZPLKPFCSFH-RWPZCVJISA-N	477.517	3.802	50	40	JHGB	
C/C(=N\NC(=O)CC1(O)CCCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	8427085	PCJFOPVQLAKMIL-MFKUBSTISA-N	483.481	3.681	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8829946	PNKQOBZUVJCMEO-OEAKJJBVSA-N	450.407	3.997	50	40	JHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OCC)c3)CC(=O)N2)cc1	9324691	KELHNRMKBXAXCA-GOSISDBHSA-N	467.547	3.900	50	40	JHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc2c(cc1Br)OCO2	16525208	BGWQGPWUOGHONE-OPEKNORGSA-N	478.302	3.796	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1)S(=O)(=O)c1ccccc1	19937045	JUNSVEDJMQYGNL-NLRVBDNBSA-N	477.542	3.757	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1	19952139	NHEMNXVBIPKYKE-AFUMVMLFSA-N	475.929	3.833	50	40	JHGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1)c1ccccc1	20232393	CCKZBKWYVUOINM-CVKSISIWSA-N	495.626	3.911	50	40	JHGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	59472786	HSOWSEVQQXEWEK-WGOQTCKBSA-N	482.949	3.588	50	40	JHGB	
COc1ccc(OC)c(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	408655411	RTMDLQVECXUEGG-FOIQADDNSA-N	463.889	3.619	50	40	JHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	408763990	HPQRMRJCIXNSEH-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	409266517	XPQNQYXJCWGSLW-OKCVXOCRSA-N	490.535	3.733	50	40	JHGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1O	3112424	FPJJBWKJONJJNS-KEBDBYFISA-N	469.133	3.786	50	40	JHGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1Cl	8951663	IQYUMYKDTONWKB-AZJLSSPBSA-N	467.978	3.934	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c2ccccc21	9664905	DGMOQUZZNMIYNX-RWEWTDSWSA-N	476.558	3.605	50	40	JHGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1)NCc1ccc(F)cc1	12467444	PLQRXARCXQHFPB-UHFFFAOYSA-N	474.492	3.957	50	40	JHGB	
O=C(CSc1nccn1-c1ccc(Br)cc1)NNC(=O)c1ccccc1Cl	39969211	SSUYZJFTOKHRTF-UHFFFAOYSA-N	465.760	3.842	50	40	JHGB	
Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-]	408641221	CAJOGPGPPPTDPG-BEFAXECRSA-N	462.861	3.819	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1)C(=O)Nc1ccccc1	408786948	YLXKPPVWFZQGIR-NDZAJKAJSA-N	480.524	3.817	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408967042	PJTCORAEMXZHHV-WGARJPEWSA-N	464.474	3.510	50	40	JHGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1OCc1cccc(F)c1	409011716	HGTRPTJQYFZMDW-UFFVCSGVSA-N	456.255	3.878	50	40	JHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	409064916	QVSOSPRVKUCHEZ-MFKUBSTISA-N	455.967	3.990	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)c1	409169424	QOUMRUKWJLLMED-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21	409192778	AXMPLXQQMQCIRA-DBRLUCFCSA-N	484.556	3.994	50	40	JHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409234793	MMJLVSZPGMMKKX-DUPVFGOHSA-N	473.323	3.794	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(I)c1OCC	409255240	HLLZVSWQTHJZRG-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1	9424224	OCRZYYKNKFJMMA-BHGWPJFGSA-N	471.308	3.669	50	40	JHGB	
CCOC(=O)CN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21	13895371	BAJIHECVBJBKSL-SLEBQGDGSA-N	494.345	3.575	50	40	JHGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1	59472878	AURPCIXCEVSPIG-LQKURTRISA-N	457.530	3.561	50	40	JHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)c(Br)c1	408606197	PEVAJNVBXZFBRW-INIZCTEOSA-N	463.357	3.796	50	40	JHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1	408613315	YXZGHJGEDSEKIG-YSURURNPSA-N	470.726	3.797	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(=O)(=O)c2ccccc2)cc1	408824895	BCVAYXDNWPLIAC-LFVJCYFKSA-N	469.588	3.763	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)ccc1O	409025327	PPSRURATVONEKA-CVKSISIWSA-N	481.574	3.672	50	40	JHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc(Br)cc1	409225001	LLQORPVYJFENGV-NHDPSOOVSA-N	458.224	3.933	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccc(F)cc1	409229978	WHUMCSNVZIVICW-AUWJEWJLSA-N	462.275	3.668	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1	409249860	MBNHDLSKZBCWKB-SSDVNMTOSA-N	482.478	3.945	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(OC)c2)cc1OCC	409324949	WVFKBRDCIUPCDU-UUYOSTAYSA-N	496.301	3.733	50	40	JHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1	8384336	JXKMHGBYFGITEJ-AEOXGOBCSA-N	458.367	3.697	50	40	JHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=S)NC2CCCCC2)cc1OC	12945066	PQPUYJRPNOPJFS-UHFFFAOYSA-N	479.606	3.998	50	40	JHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1	13784981	UWBVOHNXIVFUQB-BATDETSNSA-N	467.529	3.668	50	40	JHGB	
Cc1cc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(Cl)cc2)c(C)c1	13805389	RYSJFZIZWYXSLZ-KIBLKLHPSA-N	496.984	3.867	50	40	JHGB	
O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(Br)cc1	18037606	DPJPUAWHKXUMBT-FIQHERPVSA-N	465.967	3.876	50	40	JHGB	
Cc1c(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3-c2ccccc2)cnn1C	22744538	DIHOIDAQVIJNLJ-UHFFFAOYSA-N	486.605	3.849	50	40	JHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Br)c3)c(C)c(C#N)c2=O)cc1Cl	30834260	NMQRPSHHAJPNKO-GATIEOLUSA-N	484.741	3.901	50	40	JHGB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc12	96314837	PGSMKOHLTWJLDS-FHTAPLDASA-N	471.542	3.798	50	40	JHGB	
CN1CC[N+](C)(Cc2ccc(C[N+]3(C)CC[N+](C)(Cc4ccc(CCl)cc4)CC3)cc2)CC1	104196037	NXIOBFIZSASRSA-UHFFFAOYSA-N	472.141	3.924	50	40	JHGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1C=C[C@@H]3[C@H]3[C@H](Br)[C@H](Br)[C@@H]31)C2	104291222	QLKUDAZHTILURQ-CNLABUKLSA-N	499.247	3.637	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C#N)c1C	408546350	HSCSNKODRYIBFT-YVLHZVERSA-N	494.529	3.568	50	40	JHGB	
Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408680832	HBUSEEVNUZZQLB-FNKARSCCSA-N	463.553	3.920	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1-n1cccc1	408749056	KRZSODDGJYADKC-KOEQRZSOSA-N	490.497	3.917	50	40	JHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1OCC(=O)OC	408807383	CGOLWXFNDGMBTA-ODLFYWEKSA-N	499.361	3.961	50	40	JHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408963804	ACOMOESYALJJIY-ATVHPVEESA-N	454.939	3.941	50	40	JHGB	
N#Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(I)c2O)c(F)c1	408967358	QDBFGPQFVBGBSZ-SCDVKCJHSA-N	488.054	3.534	50	40	JHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1ccccn1	409017099	VCALCJVOKWITIC-CVKSISIWSA-N	491.400	3.772	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1OC	409026620	UQOXPOHEFLOBNX-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc1	409223968	HYQYNIFCXBTYLN-QXXZEVIWSA-N	461.430	3.692	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	9057161	FAOWQSOCMJPNJU-ZVHZXABRSA-N	479.986	3.528	50	40	JHGB	
COc1ccc(NC(=O)[C@H](NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1Cl	9509164	SITMKAOXZLNJMJ-OAQYLSRUSA-N	453.882	3.692	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1Br	20214167	XQMSKILCYCSFOY-AWQFTUOYSA-N	479.183	3.672	50	40	JHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)c(Cl)c1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	110562424	KJZQVDAJUGJRCV-BOCQSXMYSA-N	451.517	3.761	50	40	JHGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCC(N)=O	408580999	FVWYSIXVUOSHCD-VIZOYTHASA-N	461.312	3.793	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408765763	XSLASLXXMTWNDN-SFQUDFHCSA-N	479.470	3.917	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408781026	QATSSUVWIFDHRJ-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)c(C)c2)cc1	408827234	GKVCQMZMQKTZGV-JVWAILMASA-N	493.585	3.729	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409154142	NWULDHZGDUDUHL-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1	409159759	XCKOVWOZCGTHAY-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1	409184280	KBMXBJGJCXAAAR-KIBLKLHPSA-N	467.391	3.641	50	40	JHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O	409184529	LRSWJHNYPAGBSK-FSJBWODESA-N	451.976	3.600	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cc(C)ccc1C	409260316	OOMXZXOWWALVRP-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2)cc1Cl	409271969	WXDQMEJCNLPMFM-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c(OC)c1OC	2340962	NOHJIWGHAIZMLJ-QFIPXVFZSA-N	473.529	3.643	50	40	JHGB	
Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	3362641	ATBZMJILCCTKSV-UHFFFAOYSA-N	455.518	3.596	50	40	JHGB	
O=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)NNC(=S)NCc1ccccc1	4118333	RZQSTOAAVRKUII-UHFFFAOYSA-N	460.603	3.691	50	40	JHGB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1	8764035	GVKRBTJIZCQGMJ-XMHGGMMESA-N	471.579	3.831	50	40	JHGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	40137449	LOEXQOSTUKHXPV-COOPMVRXSA-N	463.921	3.973	50	40	JHGB	
C/C(=N\OC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1cccs1	16310635	HDDOVESMPKUIIW-BUVRLJJBSA-N	472.548	3.653	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1	23410701	FQDMRCJLYZQSCC-YZSQISJMSA-N	465.575	3.735	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(OC)c1	408602317	BQZFXNZCLXDBBQ-NRFANRHFSA-N	462.531	3.789	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)cc2)cc1	408787894	AONPWWWTSFBOLB-LGUFXXKBSA-N	481.574	3.835	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1	408856784	DRRABPAHACYUMV-DHRITJCHSA-N	476.961	3.803	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408864615	XKONMWPCVHKUBD-KOEQRZSOSA-N	451.548	3.819	50	40	JHGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c(F)c1	408968740	YOJOQILTMMCGAM-IFRROFPPSA-N	488.054	3.534	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC#N	409004438	XCNCGZPKGNQXKB-KQBIVOJMSA-N	496.564	3.548	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1OC	409110853	HHCQSJYRTSOCCC-WGOQTCKBSA-N	481.574	3.742	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OS(=O)(=O)c1ccccc1	2077128	NTNFIGIQXLFKNL-OEAKJJBVSA-N	489.347	3.989	50	40	JHGB	
O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1cc(Br)cc(Br)c1O	5838510	KOVHPMAQLHPRSJ-CABCVRRESA-N	488.563	3.682	50	40	JHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c(OC)c1	13550042	XXDQIHWYXLDNEU-KTYVIOSCSA-N	480.502	3.595	50	40	JHGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)cc1OC	13557168	NQWOSGJDZUCUQC-ATJXCDBQSA-N	452.470	3.767	50	40	JHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1	14257452	BUDIAXUBVWHJBM-UVHMKAGCSA-N	462.506	3.562	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926247	XEDNIGAVUJRTKV-DHRITJCHSA-N	485.949	3.723	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1	33960855	BURQFXPBTLHVBH-LPYMAVHISA-N	474.384	3.886	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1	408606753	ATFZSTUEFVTAPI-APYSBUGJSA-N	494.375	3.716	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O	408789574	MNKPZYGCWJCUIE-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1	409174725	OGWIQEQKRHTKPJ-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl	409304116	QCLXVQYXEXXFFJ-RTWAWAEBSA-N	499.976	3.848	50	40	JHGB	
CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)COc1cc(C)c(Br)cc1Br	8683289	XGHPKWUMIQSNEL-FRGBAJMOSA-N	477.197	3.696	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc(Br)c1O	8781355	WLSKUKBESQJCKP-FOKLQQMPSA-N	457.328	3.789	50	40	JHGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NC1CCCCC1	9057033	YBKOHPKDAOOGSE-LGJNPRDNSA-N	491.375	3.910	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)COc2ccccc2-c2ccccc2)c2cc(Br)ccc21	9948644	FQFPWOJZAPBSPL-XTCLZLMSSA-N	464.319	3.992	50	40	JHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)C[C@@](O)(c3ccccc3)C(F)(F)F)cc2)cc1	14241783	YQPFGKBFRHEHMR-XMMPIXPASA-N	483.446	3.592	50	40	JHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N\NC(=O)c3ccc(Br)cc3)o2)c1	15018846	BHNMGIKWNIEYML-YVNNLAQVSA-N	457.236	3.869	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2Br)c(OC)c1	27563608	CURQECPPSIKZLH-GZTJUZNOSA-N	485.334	3.960	50	40	JHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1	58853208	HBKIUZXOGFBLCR-CMPFEXHJSA-N	486.569	3.547	50	40	JHGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1	408854479	GMCFRJOFVINQRS-ROTLSHHCSA-N	481.530	3.742	50	40	JHGB	
Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)C(=O)NC2=S)cc1C	408989229	SQJLYCVSZPUAKG-IUYQLWOBSA-N	466.950	3.718	50	40	JHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1	409168963	OJQHMXPUOSHGCZ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	409170136	TXUUUFBEGNWKIJ-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409185513	ZNYCNUCLNGFKTA-MFKUBSTISA-N	455.580	3.664	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O	409224069	KDPGBAAARGSBJG-UHFFFAOYSA-N	481.892	3.601	50	40	JHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)n1	409233494	SMMDZOGLNQIAFR-FSJBWODESA-N	451.508	3.823	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1	409258826	XUFHDOUIFUXCSG-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1cccc(Br)c1	3102725	JFXAJFFKJSRQNS-LSCMLXDISA-N	453.292	3.852	50	40	JHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	3107986	FWLBEDFTNOAHRY-QMMMGPOBSA-N	457.111	3.996	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc21	12604779	KYBSMWULOVBGLG-NFFVHWSESA-N	482.569	3.913	50	40	JHGB	
N#C/C(=N\NC(=O)c1cccc(C(=O)N/N=C(/C#N)c2ccccc2Cl)n1)c1ccccc1Cl	18084906	LMBJVTUGUTVXGY-RWUDLHMNSA-N	490.310	3.704	50	40	JHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c(F)cccc1Cl	20233316	REXLOPSSVCUPIB-ZMOGYAJESA-N	490.900	3.733	50	40	JHGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(=O)Nc4ccccc4)cc3OC)nc2s1	20331849	FYGHUPQPPIANPO-GZTJUZNOSA-N	487.541	3.847	50	40	JHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1	20814333	NMFARZKBBWIRSL-NRFANRHFSA-N	453.520	3.919	50	40	JHGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OCC(N)=O	408583208	SJKGNBPKZXTWDV-OVCLIPMQSA-N	478.286	3.627	50	40	JHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408774023	AADBKKFPTRDFBA-WPWMEQJKSA-N	494.617	3.724	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1	409007675	YVKLSQWFFAARHT-DHRITJCHSA-N	462.333	3.783	50	40	JHGB	
Cc1nc2c(NC(=O)c3ccc(S(=O)(=O)N(CCCl)CCCl)cc3)cccc2[nH]1	1431916	LTADAYVXTASXHV-UHFFFAOYSA-N	455.367	3.592	50	40	JHGB	
C=CCOc1c(I)cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC	2179318	JRDZYPFNMQBOMM-KRWDZBQOSA-N	496.301	3.509	50	40	JHGB	
COc1ccc2c(c1OC(C)=O)-c1cc(OC(C)=O)cc3c1[C@H](C2)N(C(=O)CBr)CC3	5640487	SXQYTJGRWVCLLC-SFHVURJKSA-N	488.334	3.590	50	40	JHGB	
Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)COc4cccc5ccccc45)ncnc32)cc1	12643186	VCNCLCDIWLLMHO-UHFFFAOYSA-N	498.568	3.596	50	40	JHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c(OC)c1	27563588	JGSUCJWTUUBXQN-AQPIEGPOSA-N	457.486	3.816	50	40	JHGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2[C@@]23CCCC[C@@]12[C@H](Br)[C@H]3Br	104284169	WCVOZXOSMBWBIV-DIZUZXFTSA-N	493.199	3.554	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1cccc(Br)c1	408773631	SGIVLPWCHZXTPH-HZHRSRAPSA-N	474.380	3.909	50	40	JHGB	
C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408847592	NRRXFBLCYCYRQI-NTEUORMPSA-N	476.245	3.997	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	409170401	VFLWSGKKPBGWDI-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2)c1	409262630	GDXWPPBGARLUJM-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nc3ccccc3c2=O)cc1	1105495	GZDDLCYKDILANT-YDZHTSKRSA-N	450.545	3.698	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1c(C)cc(C)cc1C	2177680	AJRIKYGJYUYPTH-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc(O)cc1	8973371	KIPPARPLCVUGLH-INIZCTEOSA-N	458.337	3.865	50	40	JHGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2I)ccc1N1CCCC1	9259103	TZDVXEMPKGQUIU-LPYMAVHISA-N	463.319	3.729	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	9972847	WAGSJZXNNTYRHP-QGOAFFKASA-N	473.485	3.973	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1OC	13551073	WLJWSLOKEVMNDN-JFLMPSFJSA-N	488.573	3.648	50	40	JHGB	
O=C(CCCC(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])N/N=C\c1cc(Cl)ccc1[N+](=O)[O-]	31670084	OSMCYAOWCFFTCX-BKNYSILLSA-N	495.279	3.581	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(C(F)(F)F)c2)cc1	408862670	IHYACIQEEAJXBT-MZJWZYIUSA-N	476.480	3.754	50	40	JHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973689	OVNIIMKXGGJABR-COLMCNOHSA-N	473.554	3.996	50	40	JHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	409065817	NPLDWMXUUIDEOI-WSVATBPTSA-N	467.326	3.915	50	40	JHGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409227960	YCYCFMCDWALAQF-UHFFFAOYSA-N	471.391	3.761	50	40	JHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)cc1OC	409318315	VNMPPHTUGVNWDR-UQQQWYQISA-N	466.515	3.792	50	40	JHGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cccc(OC(=O)c2ccco2)c1	1440634	AAAZXYBJWDPHRR-SSDVNMTOSA-N	488.250	3.699	50	40	JHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3F)nc3ccccc3c2=O)cc1	1478328	JXCDOLVVKXARPP-VULFUBBASA-N	462.506	3.776	50	40	JHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1c(Cl)cccc1Cl	9845932	UGORKMUGUHRZGX-FSJBWODESA-N	466.346	3.928	50	40	JHGB	
COc1cc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)cc(OC)c1OC	12560960	LZXDDJMMXNFMRG-UHFFFAOYSA-N	476.533	3.656	50	40	JHGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)COc1ccc(C)cc1Br	15134647	FSKGKXTWCKXKNG-ZVHZXABRSA-N	466.763	3.988	50	40	JHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl	58881796	GOJDFUYXLIAHBI-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	408710640	BIEBTZQIBUOHDF-SSDVNMTOSA-N	451.704	3.896	50	40	JHGB	
COc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1	408779554	YJEPZGRZZMDVFQ-RPPGKUMJSA-N	489.315	3.614	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(Br)c1OCC(N)=O	408817591	UEYRSYPFVQPKND-OVCLIPMQSA-N	488.338	3.575	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1Cl	408926484	UFJYWSFVHVQTEG-NUGSKGIGSA-N	468.284	3.929	50	40	JHGB	
O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	409014476	PNJOTXLJJGTQHW-AFUMVMLFSA-N	459.930	3.820	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1	409063805	NJJWRRSPDYPJDX-DHRITJCHSA-N	498.333	3.945	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(C)cc(C)c2)c1	409266706	QVZJTWSLQKQMGF-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)o1	2653117	SQDQPAKVCWSDLV-UHFFFAOYSA-N	481.452	3.791	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)S(C)(=O)=O	20208883	LAHLVXVSZPNKKU-YZSQISJMSA-N	465.575	3.744	50	40	JHGB	
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	20259257	UVCITWDLCJKIDQ-AGIMELGASA-N	490.535	3.957	50	40	JHGB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1	20287354	DXEIICKOKGGZFS-PLRJNAJWSA-N	482.540	3.679	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCO2	408867640	MCIXJAAMXFAUHR-OVVQPSECSA-N	497.548	3.641	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OCC	409028502	ODQYDCYHMBQKNA-FSJBWODESA-N	488.393	3.707	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1OC	409113954	HVTXWWRNVMFLRG-WGOQTCKBSA-N	491.585	3.707	50	40	JHGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409211661	MMXINEMGTPHGRA-ZVBGSRNCSA-N	471.760	3.897	50	40	JHGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(N)=O)c(Br)c1	409227391	ZVOLWJQYWDGPKL-AWNIVKPZSA-N	493.155	3.930	50	40	JHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	1474010	FGLZTXJACYCXKT-AFUMVMLFSA-N	473.514	3.845	50	40	JHGB	
CC(=O)Nc1ccc(/C=C2\SC(=S)N(/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1	1637241	OAZXGSCIYVSZHH-CIEIPTKHSA-N	483.596	3.994	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1	9232855	QLUXCJVYOSKBST-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
O=C(NNc1nc2c(F)cccc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	9381768	YGODTBIIPRNYDC-UHFFFAOYSA-N	482.562	3.939	50	40	JHGB	
CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C(C)C)cc1	9883349	JLNFBDOXRXHJRT-DHUDBDOYSA-N	455.599	3.594	50	40	JHGB	
COc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2cc(C)oc2C)cc1OC	32969046	RNVCQVOGMRMZTQ-UHFFFAOYSA-N	483.546	3.719	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Cl)cc1Cl	408610891	OVQFYZPMXWZUEB-OPEKNORGSA-N	452.338	3.803	50	40	JHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408869167	RCOLUIDVUBKIBZ-DHRITJCHSA-N	454.914	3.854	50	40	JHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	409149053	WNFMJMYEOOVXQV-CVKSISIWSA-N	451.548	3.916	50	40	JHGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	409271337	UZBSRPFOWXHBFO-OKCVXOCRSA-N	490.535	3.733	50	40	JHGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1OC	9110191	DGUZNTWXICNUDR-SSDVNMTOSA-N	459.300	3.716	50	40	JHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	9129909	DYVPKEVUFXELDI-UHFFFAOYSA-N	459.453	3.948	50	40	JHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(I)cc1	12447239	VMWUMJSTSMMMFG-LPYMAVHISA-N	465.291	3.743	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1)S(C)(=O)=O	20208957	HWUUOBORLUAHMB-TURZUDJPSA-N	492.601	3.808	50	40	JHGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccnc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12	20558530	RILYVDBKQJJHTN-OAQYLSRUSA-N	460.490	3.747	50	40	JHGB	
CCN(CC)C(=O)CN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2cc(Br)ccc21	20608556	NVTDMKHYBKHALE-PGMHBOJBSA-N	478.350	3.975	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C	22940018	YNEZUGOIDMLOEW-UHFFFAOYSA-N	470.617	3.862	50	40	JHGB	
COc1ccc(CCCC(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(OC)c2)c(C)c1	33334396	CXESUBLODQLLCM-MSXFZWOLSA-N	493.354	3.711	50	40	JHGB	
COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccc(O)c4)C(C#N)=C(N)O3)S2(=O)=O)c1	67225352	XREVMUTYZHHXGT-QHCPKHFHSA-N	487.537	3.927	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O	408753117	LNXVYQNWLWSKBD-RIYZIHGNSA-N	462.243	3.771	50	40	JHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OC	8843126	XANUCUPJLDPCCH-UFFVCSGVSA-N	467.341	3.986	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC	9724626	LVDZZACMNZDDRE-RMLRSCLLSA-N	487.512	3.744	50	40	JHGB	
O=C(CCCC(=O)Nc1ccccn1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	23187543	MHVDTCFGAGFJMQ-UHFFFAOYSA-N	462.350	3.689	50	40	JHGB	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12	58357826	LRZASKJNDOIOPM-UHFFFAOYSA-N	450.545	3.781	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	59536579	IQVWDELPSHNMFD-GHRIWEEISA-N	479.470	3.917	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c1	408832408	QLZIZNAHOQBPJQ-PDGQHHTCSA-N	472.501	3.706	50	40	JHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(O)c(I)c1	408904682	NAPKOCHCQDJAKD-LSCVHKIXSA-N	469.329	3.849	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCC(=O)OCC	409023579	ZEHOQBHMXPTLGA-MWLSYYOVSA-N	491.544	3.833	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2cccc(Cl)c2)cc1	409114504	KDYPOAJVDIIOCX-PCLIKHOPSA-N	487.965	3.790	50	40	JHGB	
CCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2cc(Br)ccc21	2321159	OSINCSPPMJZXQM-QLYXXIJNSA-N	451.324	3.901	50	40	JHGB	
C#CCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21	8768521	HRTTVZKRLJVQRA-HKOYGPOVSA-N	481.133	3.635	50	40	JHGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1C	27018623	LOIUTCOQUZRDFJ-PTGBLXJZSA-N	485.588	3.602	50	40	JHGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1)C(=O)NC1CC1	408607547	DOGDVYHOLZFPNM-NUGSKGIGSA-N	468.710	3.549	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl	409260019	JIKBKONVLZZEQU-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc(OC)c1OC	675309	MSHWAUXMSZRRPH-UHFFFAOYSA-N	465.344	3.847	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I	704796	LEQXFTIBAKDVMC-BUVRLJJBSA-N	486.309	3.686	50	40	JHGB	
Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c(Br)c1	9730964	MOXMNYBPUISQAA-UHFFFAOYSA-N	482.762	3.664	50	40	JHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1Br	10118453	QCWFAPJBORFBDW-VXLYETTFSA-N	472.124	3.884	50	40	JHGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Br)c2)o1	15938672	XOBHFJZUDLGKJV-PIVQXDEPSA-N	452.308	3.689	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953254	RHGNZYMXCZZBRE-YZSQISJMSA-N	464.591	3.715	50	40	JHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	20213451	WIUUKYHRZVLCSJ-NLRVBDNBSA-N	466.563	3.606	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1OC	33697672	XMUFYKVKUNEGNO-QRVBRYPASA-N	489.475	3.805	50	40	JHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)ccc1Cl	59463293	FWQZUWHLZPJXRY-KIBLKLHPSA-N	455.854	3.678	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1	408607826	FCCBMUGJOZFOIO-BHGWPJFGSA-N	450.322	3.700	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408769126	OMNNTYZSDRZLTP-NCELDCMTSA-N	451.548	3.821	50	40	JHGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	409262088	DXZAJOHZSNUDGZ-MTDXEUNCSA-N	488.544	3.972	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	1722210	QOCMYQOZBNKLBE-DWBVNXOXSA-N	454.354	3.701	50	40	JHGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	6134845	FTELCBAZSUTCJA-AXDLBROPSA-N	451.483	3.520	50	40	JHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1	6601119	MQKDYMOZQCZDRP-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc(OC)c1OC	12275221	LLDYMPFTOLPFGW-BXKMTCNYSA-N	452.532	3.664	50	40	JHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1	19948226	QIVDKZHFRGGDJS-BUVRLJJBSA-N	466.519	3.557	50	40	JHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1	19955883	NLWGLMZZBJOUAK-ZXVVBBHZSA-N	494.617	3.887	50	40	JHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc(Br)c1OC(C)=O	102056096	CTJUNCJQWRUKFK-QGZVFWFLSA-N	495.285	3.524	50	40	JHGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	408541377	GCUXLYCBPZFDKW-ZMFRSBBQSA-N	460.490	3.576	50	40	JHGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408860677	BNCKXFSZBDRTFF-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC	409201574	WKSIDZRMGOXBHG-YFHGFKKUSA-N	459.502	3.919	50	40	JHGB	
Cc1ccc(/C=N/NC(=O)[C@H](NC(=O)COc2ccc3ccccc3c2)C(C)C)cc1[N+](=O)[O-]	2121933	AKMJCLLJXUCJOH-DXPRYJPLSA-N	462.506	3.726	50	40	JHGB	
CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccccc1F	9110683	LNYHGIOOGJTLAX-LEWJYISDSA-N	481.549	3.942	50	40	JHGB	
COc1cc(/C=C2\SC(NNC(=O)c3ccncc3)=NC2=O)ccc1OCc1ccc(F)cc1	9126602	GJFBOUGXMQMNNS-BKUYFWCQSA-N	478.505	3.713	50	40	JHGB	
N#CC(C(=O)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)=C1Nc2ccccc2N1	13027339	VSYJAGUSDOADAV-UHFFFAOYSA-N	481.464	3.687	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	20059984	JDEDNSBFILSJRK-NCELDCMTSA-N	480.546	3.947	50	40	JHGB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2)cc1	20288734	WNGDSOQWQVCDNU-JWGURIENSA-N	471.473	3.563	50	40	JHGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1	20573167	LOABJOHZCNHVQJ-FDDCHVKYSA-N	472.545	3.545	50	40	JHGB	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	59436900	RFIRVNHFXUQUSA-FYJGNVAPSA-N	478.393	3.856	50	40	JHGB	
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1ccc(I)cc1	100025439	QSTQFKRXCPTQMD-LSHDLFTRSA-N	457.218	3.704	50	40	JHGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C(c1ccccc1)c1ccccc1	100572027	BWWQBRZNKBUNIP-FQEVSTJZSA-N	478.346	3.534	50	40	JHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(Br)cc1	226337266	DHULFZORXMJRQP-QPJJXVBHSA-N	456.134	3.802	50	40	JHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1O	408726339	SAQUQQHGVIGIJW-JYRVWZFOSA-N	464.259	3.950	50	40	JHGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(Br)cc1C(=S)N1CCOCC1	408752529	JKVVAUZZAZQNLH-FOWTUZBSSA-N	457.349	3.969	50	40	JHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1	408784962	WHXHFZFTWIXQEM-RPPGKUMJSA-N	473.316	3.914	50	40	JHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408812145	NVHHQUPBAIGGMG-YVLHZVERSA-N	455.308	3.702	50	40	JHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccc(O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408937627	KHICCVUGMFHYKT-AFUMVMLFSA-N	471.966	3.695	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409211075	KNKODBVGALAMPW-WYMPLXKRSA-N	477.011	3.637	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1	409254715	ZZOJMKZVCFLMIY-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OC	409332362	DNCIUWPFWIJYFY-WNFNFYEPSA-N	471.554	3.654	50	40	JHGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Br)cc1C#N	793677	MFRXUTDEEOUSPS-BHGWPJFGSA-N	472.730	3.997	50	40	JHGB	
O=C(COCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1	1741471	AZTDNORIHJGXDV-ZPNKGADNSA-N	476.147	3.917	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9113438	XVTWXSQLOHLZOW-DHIUTWEWSA-N	453.477	3.888	50	40	JHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)c(OC)c1	13562695	UPAPWZFGBRTYOH-WYMPLXKRSA-N	454.310	3.910	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1	13769626	RYQZQTPYOPTEQD-SQNIBIBYSA-N	470.348	3.540	50	40	JHGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1	13897717	LHPORFYYXYUEEX-UMSWHGTASA-N	497.301	3.951	50	40	JHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1	19682564	KLJDONQZNJBGLX-VUTHCHCSSA-N	456.590	3.842	50	40	JHGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O	19951884	UXPVZJFXZHZTSK-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20060150	KCFXBIGBAKCHGN-OVVQPSECSA-N	494.617	3.805	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(I)c1OCC	408729354	ZDIAHSACIVORCK-LPYMAVHISA-N	482.318	3.790	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1	409161163	WZPPNCCIBSMYRH-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	953109580	ZZWSOJHWMKIKJE-VXKWHMMOSA-N	469.654	3.883	50	40	JHGB	
CCn1nc(C(=O)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c2ccccc2c1=O	17189812	AQOQMVTZMAYUGB-QFIPXVFZSA-N	458.543	3.711	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1cccs1	20213369	OWERDMHPGGQUHA-UFFVCSGVSA-N	453.895	3.727	50	40	JHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1	59960026	FRKBFTMBWBMJDR-HXLYRSSUSA-N	472.545	3.648	50	40	JHGB	
COc1cc(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O	97466230	ISNGCHRIWJBWQD-HJVIKEODSA-N	498.580	3.836	50	40	JHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)c1	408761415	JXYNCEPEUFAEDN-GZTJUZNOSA-N	479.470	3.917	50	40	JHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	409090056	OIQPURUIPDBIIF-YDZHTSKRSA-N	462.344	3.839	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1	1326668	CGXKEMNZHIBGSP-KXBFYZLASA-N	487.438	3.655	50	40	JHGB	
Cc1ccc(C(=O)NNC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1	11916288	KDFZIPUQQXMGDI-UHFFFAOYSA-N	457.353	3.915	50	40	JHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(OC)c2)c1	33758795	CNNCPVAQNNKJCB-LGJNPRDNSA-N	464.474	3.784	50	40	JHGB	
O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1ccccc1	101027844	JXKIAZWYBQPIKI-OOAXWGSJSA-N	465.918	3.533	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccccc1	408884377	WWNZWEOJHWKZEQ-ZVHZXABRSA-N	497.554	3.847	50	40	JHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408970025	YUZFUVQMXPJTDR-MTDXEUNCSA-N	495.576	3.956	50	40	JHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(=O)c1C#N	409081210	KBGTYTYRARGQPR-OPEKNORGSA-N	470.938	3.723	50	40	JHGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c2)c1	409151609	CLIUVJQKLWSXFG-MZJWZYIUSA-N	494.935	3.763	50	40	JHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl	409162992	KJTMTKTZRCWVNK-NSKAYECMSA-N	499.782	3.887	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1	409167278	ICIONXDNYCKRJC-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccccc2N)nnc1-c1ccncc1	409194533	OTRZAAVGQHQRFH-VULFUBBASA-N	488.533	3.766	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCc1c(F)cccc1Cl	409333415	GZRCRXKPVHBVOW-UVHMKAGCSA-N	494.914	3.871	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)cc1C	2178206	HDVKOSIGULNJAB-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3C)c3ccccc32)cc1	2436889	RPUJQSJQUDLWKK-VHXPQNKSSA-N	450.498	3.745	50	40	JHGB	
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N/N=C/c1cccc(O)c1O	3438185	MWWXSQUELQLCKX-BRJLIKDPSA-N	469.881	3.541	50	40	JHGB	
COc1cc(/C=N/NC(=O)Cc2csc(C)n2)ccc1OCC(=O)Nc1ccccc1Cl	9315846	ZLCYKSUKDPYPRK-BHGWPJFGSA-N	472.954	3.824	50	40	JHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCNC2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	9395401	AJVNHWIHOQUJRC-OVCLIPMQSA-N	494.857	3.768	50	40	JHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567680	RZJSFPJNYKMAMH-SANMLTNESA-N	454.917	3.779	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1	33697627	QTMPRUMHCLONRT-OTWHNJEPSA-N	484.375	3.930	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	409025360	PVSNDQXKANAXOC-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)c1	409150974	FPGQGKJBBVEUHK-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1	409254489	DVESOPQVGZMCIW-JVWAILMASA-N	474.517	3.500	50	40	JHGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OS(=O)(=O)c2ccccc2)ccc1OC	409316682	QNVRSDUBYXEGIN-JLPGSUDCSA-N	454.504	3.626	50	40	JHGB	
NC(=O)N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	409383949	QYIXLQZSDUMZQG-FBCYGCLPSA-N	472.093	3.701	50	40	JHGB	
COC(=O)C1=C(CSc2nc3c(cc2C#N)CCC3)OC(N)=C(C#N)[C@@H]1c1ccccc1F	663598	HGRCSHCUTOROMH-FQEVSTJZSA-N	462.506	3.608	50	40	JHGB	
CCCCCn1c(O)c(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)c(=O)c2ccccc21	2290257	YCPICSILBZNFAS-CVKSISIWSA-N	467.522	3.687	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCC	8811001	QHMHBPKBNBDGSL-WSDLNYQXSA-N	498.317	3.870	50	40	JHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(OC(F)F)cc1	17396905	VIVMFPNKYKVXCH-UHFFFAOYSA-N	495.891	3.817	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cc(Cl)ccc2OC)cc1OC	19956004	HLWSFQXYAWEYJB-UHFFFAOYSA-N	495.985	3.607	50	40	JHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408677589	SGDSGZJDCVWAJB-BUVRLJJBSA-N	456.340	3.834	50	40	JHGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccc(Cl)cc1	408732771	YPMPRCHEWJPRKM-ZVBGSRNCSA-N	479.305	3.698	50	40	JHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408862140	CTBJTCHHBLBQCJ-VFCFBJKWSA-N	492.601	3.998	50	40	JHGB	
COc1c(Br)cc(Br)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409136304	YKBXYLDSSZRHMR-HNNXBMFYSA-N	467.161	3.950	50	40	JHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNC(=O)COc3ccc4ccccc4c3)o2)c1	409170886	WYUHSXAWTKETJG-OKCVXOCRSA-N	499.523	3.922	50	40	JHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1	409313788	QWNDQPLQUFZFLB-MOPGFXCFSA-N	470.934	3.798	50	40	JHGB	
N#C/C(=C\c1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)c1nn(CCO)c(N)c1C#N	409337160	YGKPRRXAOSQGLZ-IZZDOVSWSA-N	461.350	3.881	50	40	JHGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1C1CCCCC1	976406	IBGCSLSOYYOOBF-UHFFFAOYSA-N	466.405	3.662	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	8861780	VQQNPAFGKRXGLD-ZVHZXABRSA-N	486.937	3.978	50	40	JHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(C)C)cc1)S(C)(=O)=O	20212819	SPGGWMDCGGALDM-FSJBWODESA-N	451.976	3.600	50	40	JHGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1C	33858529	ZMCAGYWHFQZYGF-XYGWBWBKSA-N	467.547	3.567	50	40	JHGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1	408763855	PIBJXNRTYIBFLE-QMFLXTPQSA-N	496.427	3.609	50	40	JHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cc(C)cc(C)c1	408888297	YRYCJXDMORJTKZ-FRKPEAEDSA-N	462.287	3.888	50	40	JHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	409044654	WLYRPVCMIHIAPV-SRZZPIQSSA-N	467.350	3.673	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1	409150100	AEPXZTGZYOZYLR-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1	8860739	NQABBWOBLRCVSD-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1cccc(O)c1	16807953	HERUMXXBJGBUQM-YZSQISJMSA-N	458.547	3.976	50	40	JHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1	20059257	BZQYSRWSKWWTAZ-JVWAILMASA-N	493.585	3.820	50	40	JHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)o2)cc1	20208365	YHLNXDGRWMAFOV-CVKSISIWSA-N	497.573	3.656	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1Cl	20213187	HXKMHJHXVIWZDF-DHRITJCHSA-N	471.966	3.517	50	40	JHGB	
N#CCCn1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(-c2ccccc2)n1	33366692	YBGMMQMZFZSVHG-PYCFMQQDSA-N	476.544	3.945	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1	36748136	OMWXSXMENFWUTJ-WYMPLXKRSA-N	481.534	3.832	50	40	JHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1	59959822	DDBDWNWHMQPYPD-JEWIKEISSA-N	478.936	3.685	50	40	JHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1	59960022	FRKBFTMBWBMJDR-MEAKTTDOSA-N	472.545	3.648	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408980204	PUBCXUDYDRCRSM-FXVMGJAWSA-N	465.575	3.954	50	40	JHGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3OCc3ccc(Br)cc3)nc2n1	1081942	KYFGFYGBNPUNJB-WYMPLXKRSA-N	479.338	3.847	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1	1244376	KJZMOEYOUSUCOT-FSJBWODESA-N	459.959	3.878	50	40	JHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cncc(Br)c3)cc2OC)c1	1435258	VSCHOLNFQWAMDT-OPEKNORGSA-N	484.306	3.844	50	40	JHGB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c1	8927582	ZNVSCMBLNTWGLU-HKUYNNGSSA-N	477.344	3.565	50	40	JHGB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)c2)c1	9233026	KGTZNFHNWKQVCY-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)ccc1O	9374210	HBRUISQAMQICKX-QGZVFWFLSA-N	453.520	3.510	50	40	JHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)N/N=C/c1ccco1	16712565	PBILAQQCRXDQAE-FSJBWODESA-N	483.351	3.927	50	40	JHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCCC2)cc1	21188114	URHREUSRBQSTNX-PCLIKHOPSA-N	468.604	3.930	50	40	JHGB	
Cc1ccc([C@@H](CC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)NC(N)=O)cc1	24979716	YCHYLKASMNZFPL-JOCHJYFZSA-N	480.952	3.788	50	40	JHGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CN3CCOCC3)cc2Br)c1	59246561	QGFZCNPIABUTKG-MSXFZWOLSA-N	480.790	3.772	50	40	JHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	107627449	QUNXRFIMNBOVGZ-LSFURLLWSA-N	477.882	3.787	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1	408770883	CAOSLZJDYAJVSG-MFKUBSTISA-N	480.546	3.866	50	40	JHGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1	409171128	ZEZNUFBOEDSAJV-JVWAILMASA-N	458.518	3.664	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	409263864	MZTPIZDKMSRYNH-JFLMPSFJSA-N	494.935	3.845	50	40	JHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1	409272116	OPZDPTXHJFYGLZ-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc(Br)c1O	717452	CQYQABPTXGOLRY-QGZVFWFLSA-N	497.305	3.890	50	40	JHGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2[nH]c3c(c2c1)CCCC3	9980865	NPQYXNCELNQYSU-UHFFFAOYSA-N	491.551	3.880	50	40	JHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC	13940991	AOWRPDOBGMUYMU-DDFZXGMKSA-N	469.321	3.862	50	40	JHGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)NCc1ccccc1	58873239	AOLIIEHGHWORFG-NTFVMDSBSA-N	478.936	3.514	50	40	JHGB	
COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	108052881	SDGQVIZKDNPMKJ-OCKHKDLRSA-N	471.105	3.821	50	40	JHGB	
CCCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408682458	GMCIPXFBZOICOX-ZXLDYLNASA-N	450.329	3.543	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	408767080	IORLGDGGOKMLFG-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(I)c1)C(=O)Nc1ccccc1Cl	408795994	WVTPGDODDNSNCR-KPKJPENVSA-N	482.661	3.954	50	40	JHGB	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2C#N)cc1Br	408806462	DYYOUQCTBTWTDC-VXLYETTFSA-N	484.350	3.968	50	40	JHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409011454	GPPNYDLZEJOBJC-JFLMPSFJSA-N	477.517	3.559	50	40	JHGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409125999	KXSWODNWJTWFQH-WOJBJXKFSA-N	469.950	3.758	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C	409170297	VCUTZIVAXIICBX-RWPZCVJISA-N	488.544	3.727	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1Cl	409232483	INJGHVBOSPYGIN-AWNIVKPZSA-N	464.703	3.792	50	40	JHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2I)c(C)n1-c1ccccn1	409236264	FXKSAKKADJWPNU-FMCGGJTJSA-N	474.302	3.623	50	40	JHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	409265054	NNIBFOZNFNKESV-MZJWZYIUSA-N	462.481	3.549	50	40	JHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409272871	TVDHMTHKUVBWMI-OGLMXYFKSA-N	486.528	3.666	50	40	JHGB	
CCOc1c(I)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC	409366732	XUHZREWXDOEKQO-LSHDLFTRSA-N	487.725	3.914	50	40	JHGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1	15749325	OMKMFXWLQKGVNB-IPPBACCNSA-N	494.433	3.905	50	40	JHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)c2ccccc2)cc1	408907763	QVEKFJLPSOZALD-YZSQISJMSA-N	497.573	3.535	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(F)cc2)c2ccccc2)cc1OC	409145156	PMDXWMOLMVAMCY-YZSQISJMSA-N	485.537	3.579	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O	1253777	PAMNNZNDVNHIJG-CVKSISIWSA-N	474.542	3.732	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)ccc1O	1474506	ACTYEBZSIJKSRJ-VULFUBBASA-N	474.546	3.594	50	40	JHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)c2C)cc1	2176038	MAOYSSCBXUUFQL-CVKSISIWSA-N	466.607	3.936	50	40	JHGB	
Cc1sc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2c1C	2620516	GLSMTDFDYMOMNO-UHFFFAOYSA-N	496.589	3.816	50	40	JHGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C	8916028	YFQGNBSUGSQJBX-BHGWPJFGSA-N	465.735	3.870	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	15227584	KRYMXAXYHWSBMM-WRGIWNTCSA-N	492.557	3.686	50	40	JHGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059743	CWQLWZRCNFHCNH-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c1C#N	59459486	ZFCWUGDPNRWFAY-KBKYJPHKSA-N	497.349	3.862	50	40	JHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(=O)OC)cc1	408606094	NVWYOUCYQYYCCA-FQEVSTJZSA-N	460.515	3.558	50	40	JHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1	408971410	NZIHDWRDDJSCLA-VULFUBBASA-N	499.976	3.688	50	40	JHGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(I)cc2)cc1[N+](=O)[O-]	409177221	DXAIPLQLAGDLSR-CIAFOILYSA-N	482.278	3.550	50	40	JHGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNC(=O)c1cccnc1	8820200	NLGXSTVGBPLMAO-AQTBWJFISA-N	489.022	3.958	50	40	JHGB	
Cc1c(Cl)cccc1-n1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	9467026	INFAUBBOWCQDMP-UHFFFAOYSA-N	478.961	3.901	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)c2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	40486388	YHOLQSIBFIHUPX-RTWAWAEBSA-N	482.945	3.896	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	58880868	YPZNOVAZEQKBDV-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc(I)c1O	59483766	CDFYOKBLRNPKHO-SSDVNMTOSA-N	495.317	3.608	50	40	JHGB	
Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)c2)cc1	408681679	IDXPLXDJFDINGC-PJBUMPDVSA-N	469.335	3.757	50	40	JHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCC(=O)O	408802750	GVUKHGDCLCBMNU-UGIDETKXSA-N	465.344	3.913	50	40	JHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	408840546	CGDWTJCUZUMIKW-UHFFFAOYSA-N	452.308	3.705	50	40	JHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccc(C(=O)O)cc1	408844428	IPSRHKHVCQVANR-GZIVZEMBSA-N	481.317	3.896	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	408923277	GSMXVJZADFJJGQ-VKELSTCCSA-N	481.574	3.579	50	40	JHGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1	2645019	QPMUQDZTKSAGIA-UHFFFAOYSA-N	455.536	3.761	50	40	JHGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc4ccccc34)nnn2-c2nonc2N)c1	9345721	UTXZIVKFJVHKKV-JFLMPSFJSA-N	482.504	3.605	50	40	JHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC	9373618	ZXDDGKBFQPYBHJ-HYARGMPZSA-N	459.549	3.720	50	40	JHGB	
O=C(CSCc1ccccc1Br)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248903	SCFCZMCJAOUCKD-UHFFFAOYSA-N	483.185	3.917	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	20760804	LYMFGHKWBXMLJU-LSHDLFTRSA-N	469.719	3.817	50	40	JHGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	409161878	BMVNBWRCNKMSDO-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC	409318859	YFAQYGWFNIBDCQ-OYKKKHCWSA-N	474.922	3.889	50	40	JHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1F	659968	CLYPAXXKSVLRRJ-LJQANCHMSA-N	450.495	3.736	50	40	JHGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC	1779518	SXNIHPCEKGRLAU-NBVRZTHBSA-N	457.552	3.847	50	40	JHGB	
COc1ccc(/C(C)=N\NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c(OC)c1	8780741	NWHPQVDUIWCKSC-UCQKPKSFSA-N	457.328	3.865	50	40	JHGB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	9591334	WCLIWWZCYOASFQ-QFBILLFUSA-N	477.344	3.565	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250405	ZUFJXXHTJDHFAX-UXHICEINSA-N	469.950	3.758	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567677	JXJLDUCEIBQUTH-AREMUKBSSA-N	454.917	3.779	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O	13921339	MEKUKFCLWDZJLK-ZVBGSRNCSA-N	454.708	3.604	50	40	JHGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	16430000	GIRZJBQPJPYLFX-SRZZPIQSSA-N	488.254	3.585	50	40	JHGB	
CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccccc1Br	17193950	NWPMQOOPZPJPBR-JXAWBTAJSA-N	479.334	3.906	50	40	JHGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3)nc12	17244477	UVEYWZVWCFSZMV-GASCZTMLSA-N	474.608	3.728	50	40	JHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C(=O)O)cc1	107601068	BNRJRZVCHCUIRD-QFEZKATASA-N	463.446	3.573	50	40	JHGB	
N#C/C(=C\c1cc(Br)ccc1OCCO)c1nn(-c2ccccc2)c(N)c1C#N	408719750	QLDZXYMMCMEGIR-XNTDXEJSSA-N	450.296	3.524	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1	408773926	NAMINYNWCSMVQB-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408965666	LHFDVPJQSLRTGC-LSHDLFTRSA-N	490.266	3.809	50	40	JHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1	935328	NIKLRKPMVBAVBB-IMGOXIFKSA-N	487.335	3.530	50	40	JHGB	
CCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	4157173	UHYUGFZZQCOSEF-FHULIHMCSA-N	499.199	3.926	50	40	JHGB	
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)o3)ccc12	12820315	SLXPTDMGWNLYDQ-AWEZNQCLSA-N	450.422	3.729	50	40	JHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)c1	18192693	KAUILWULUVGISW-UHFFFAOYSA-N	457.328	3.566	50	40	JHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1Cl	101052764	RXFAHDIVTYLKTD-YVECIDJPSA-N	464.585	3.940	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(Cl)c2)cc1	408778379	SMZZRPKWINJTCM-AFUMVMLFSA-N	485.949	3.692	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1OCC#N	409011212	FHMFDYFTVASEIK-ZMRKYAEKSA-N	494.592	3.665	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1	409169274	PEHINWKBFJYHOE-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)ccc1O	1479410	BUQMVHBINBCURG-JFLMPSFJSA-N	488.573	3.984	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4OC)c(=O)c32)cc1OC	2359924	RWVKVDCVIWTZJN-DEOSSOPVSA-N	473.529	3.839	50	40	JHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)cc1Cl	3089475	FTEORCZWZXSWNM-CVKSISIWSA-N	466.950	3.866	50	40	JHGB	
CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1	6471603	QRPBTJFFXUFFGY-HKOYGPOVSA-N	461.584	3.577	50	40	JHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1	19937040	RBCHFDPQLAZXHY-PCLIKHOPSA-N	463.515	3.561	50	40	JHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(Cl)c2)Cc2ccccc2)cc1C	35362112	GXZDWUAVBOZLPJ-YSMPRRRNSA-N	485.993	3.998	50	40	JHGB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2cc(Br)ccc21	59087241	HSVLVYZMKQCPAM-BMANGOCTSA-N	469.383	3.990	50	40	JHGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1cccc(I)c1	106824801	VHTNOAFHEHZLMO-YDZHTSKRSA-N	469.282	3.945	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC#N	408750665	QBOCGVIYKGJNRW-JVWAILMASA-N	494.345	3.746	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br	408763401	NXIINVAONWDSIE-IYHCKTHZSA-N	496.427	3.609	50	40	JHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408907028	LDMVQJNMFXYKPL-PKNRUHJYSA-N	490.516	3.981	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1C	408979247	LSBPVFFEESJQRC-OINMWHHXSA-N	465.575	3.872	50	40	JHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC	408981580	VXOJVRAYJCYDHT-KDPMPHTCSA-N	481.574	3.572	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	409027201	CAPKAONAJGBOOJ-YZSQISJMSA-N	499.976	3.847	50	40	JHGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC	409097714	NXHJVIOACDHDNS-FQEVSTJZSA-N	469.291	3.807	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409123576	CXIHDFSFDQAISF-OALUTQOASA-N	473.913	3.589	50	40	JHGB	
COc1cc(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O	1083325	IJSVFRSGGBWVLD-ZVHZXABRSA-N	455.308	3.550	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)ccc1O	1479222	DDCPKKJFYOQWLL-LGJNPRDNSA-N	494.964	3.939	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC	1784621	LAUYVIODGZAFMA-KKMKTNMSSA-N	476.558	3.991	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	9635820	IZAOHYYPPGWWAY-FYYLOGMGSA-N	453.477	3.888	50	40	JHGB	
COc1cccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	9716569	WSGGKSZKIKJWCP-HZHRSRAPSA-N	468.491	3.558	50	40	JHGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1Cn1cc([N+](=O)[O-])cn1	13756473	GGSNOPGRKOHBTD-MUDSWDHVSA-N	498.714	3.550	50	40	JHGB	
C[C@H]1CCCC[C@H]1NC(=S)NNc1ccc(C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)cc1	16185858	LXTBFSMZVZUETA-FIYPYCPBSA-N	476.716	3.744	50	40	JHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC	408542511	JWCRZYYGSPJDEU-PXNMLYILSA-N	472.881	3.924	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc(I)c1OCC	408723825	RWPRLYGGPKQSEM-LSFURLLWSA-N	498.346	3.676	50	40	JHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	408913911	VEIRYECZKAEVOF-JVWAILMASA-N	496.976	3.972	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C(C)C)cc3)cc2)cc1	409259906	HMJAHXYPDJZIGR-OCSSWDANSA-N	486.572	3.902	50	40	JHGB	
CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)c1	2194209	CPPMHEFLEGYCOV-LTGZKZEYSA-N	489.601	3.709	50	40	JHGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCCCOC(C)C	2402889	ACMCDCPKPNAMAG-XDJHFCHBSA-N	476.533	3.642	50	40	JHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)c(I)c1	2756249	LUMUOOBOBWJNOC-FBCYGCLPSA-N	465.074	3.833	50	40	JHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	3073150	OJNNMXSUFUKSKX-LPYMAVHISA-N	459.867	3.780	50	40	JHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C(O)[C@@H]2C(=O)OC)cc1	9088287	UUPWDGQHMOEESI-FCHUYYIVSA-N	479.558	3.713	50	40	JHGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1cc(Br)c(O)c(Br)c1	15933698	WETLMRYZKKKZTK-IFRROFPPSA-N	466.085	3.788	50	40	JHGB	
COc1ccc(NC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)c(OC)c1	15934111	KMCZLAQMVRYNCW-UHFFFAOYSA-N	474.311	3.851	50	40	JHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1	16791038	SRMRXVAWEUHCRV-HEHNFIMWSA-N	475.980	3.938	50	40	JHGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)Cn3c([N+](=O)[O-])cnc3C)cc2[N+](=O)[O-])cc1	32124998	PKAFMMCTCYKWOL-YVNNLAQVSA-N	454.468	3.618	50	40	JHGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3Cl)c3ccccc32)cc1OC	46085082	HCUXMHYNSGIMEW-COOPMVRXSA-N	479.920	3.803	50	40	JHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1OC	58840194	YCOQLDBOCBWVTD-AWQFTUOYSA-N	450.314	3.850	50	40	JHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	108904706	WHHDFJXKUKSIIP-MUFRIFMGSA-N	484.556	3.778	50	40	JHGB	
Cc1cc(Br)cc(Br)c1OCC(=O)n1cc(C(=O)NN)c2ccccc21	216850271	XLIYJEPJAQUXNW-UHFFFAOYSA-N	481.144	3.797	50	40	JHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	408533407	SBMJBOIAJHTQRN-QPJQQBGISA-N	461.194	3.644	50	40	JHGB	
COc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c(OC)c1	408652033	NYEQDRVQFFHDDS-HNAYVOBHSA-N	463.889	3.619	50	40	JHGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1	409057281	JONXJQPUDBVVDB-ZRGSRPPYSA-N	470.316	3.882	50	40	JHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2C)c1	409251453	QEMBQZRPURVCLY-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1CC	1249225	PJXPTOIGUXKTBZ-ZVHZXABRSA-N	469.567	3.623	50	40	JHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	4982849	QOCMYQOZBNKLBE-SKPKZUESSA-N	454.354	3.701	50	40	JHGB	
C=CCN(N=O)C(=O)N(CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1	5811123	CYIYUUGKMBIITI-DEOSSOPVSA-N	479.581	3.769	50	40	JHGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4cc(Br)ccc4O)c(=O)c23)C1	6166238	MNEXANQHOZHRSZ-BWBBDTGRSA-N	489.395	3.762	50	40	JHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc1	9192297	CLXSKVPEOFXORQ-FQEVSTJZSA-N	476.489	3.636	50	40	JHGB	
Cc1cc(I)cc(/C=N/NC(=O)c2ccccc2Br)c1O	9288143	WPBADASXHYHNPC-QGMBQPNBSA-N	459.081	3.832	50	40	JHGB	
CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2sc(-c3ccccc3)cc2N)C(C)C)cc1	9387285	WSCMDEOGIWYAGT-NRFANRHFSA-N	480.590	3.612	50	40	JHGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1	12561745	HMYKUBNQYXUKJG-VULFUBBASA-N	474.542	3.790	50	40	JHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cn3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567741	VLLVLSMXWBNXRO-RUZDIDTESA-N	459.937	3.806	50	40	JHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O	13688936	IRCKSKIHPXEOMA-BRJLIKDPSA-N	480.933	3.693	50	40	JHGB	
CC(=O)[C@H](/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	28294445	TVSLBJUOLJOTSA-LTXFRBGYSA-N	458.344	3.606	50	40	JHGB	
C[C@@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409026107	GJCWUOOHFAOJAB-FLVDCRJSSA-N	482.518	3.692	50	40	JHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2)cc1	409173217	HQVJRBBHOXHTQN-LQKURTRISA-N	488.544	3.808	50	40	JHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	8836663	DMERSPWLMYWCRX-GOTSBHOMSA-N	480.484	3.657	50	40	JHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567679	RZJSFPJNYKMAMH-AREMUKBSSA-N	454.917	3.779	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1	408786190	GPLSCVVLOXHRRC-WPWMEQJKSA-N	493.585	3.828	50	40	JHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408853968	UPQGYGPGJKWIRT-QRVIBDJDSA-N	458.312	3.561	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC	409063899	NVBAJARYYMDSOF-JVWAILMASA-N	495.601	3.662	50	40	JHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2)c(C)c1	409167197	HOTHZSFMJVOSKK-JFLMPSFJSA-N	458.518	3.718	50	40	JHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1Cl	409268046	XWBSNIKFZINLAB-UVHMKAGCSA-N	482.899	3.894	50	40	JHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1	8883608	DRSPTEZFHGRYFO-NLRVBDNBSA-N	463.559	3.814	50	40	JHGB	
C[C@H](NC(=O)CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1	9849567	OAXJEZOKODFLHD-NRFANRHFSA-N	486.572	3.937	50	40	JHGB	
COc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	12082358	RNUPMQKYFHWFMK-AQTBWJFISA-N	490.006	3.791	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1	19948394	WUAZEEPTNHXNBN-WGOQTCKBSA-N	481.574	3.666	50	40	JHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC)c(OC)c2)cc1	20763866	LVGSLEFHBUFJSZ-CIAFOILYSA-N	468.291	3.861	50	40	JHGB	
Cc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1	58915069	CNQGWWQIXHLGGE-OGLMXYFKSA-N	487.585	3.835	50	40	JHGB	
C[Si](C)(C)O[C@H]1C=C(C(F)(F)F)CN(C(=O)NC(F)(F)F)N1C(=O)NC(F)(F)F	219792870	DADNRMXPFDMMQP-ZETCQYMHSA-N	462.345	3.644	50	40	JHGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1	409065604	JPBXBJSQJAVHSM-SSDVNMTOSA-N	497.187	3.826	50	40	JHGB	
O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)NNC(=O)c1ccc(Cl)cc1	890271	DILQHEOGSJCIHG-UHFFFAOYSA-N	492.992	3.790	50	40	JHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(Cl)cc1	1288583	LAOZUGYSSMTAEN-WYMPLXKRSA-N	489.985	3.887	50	40	JHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)NCCCl)CC2	1767739	JAWNITNZPHEEQL-MRXNPFEDSA-N	478.998	3.987	50	40	JHGB	
CCn1c(NNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)nc2ccccc2c1=O	10323069	PYVIESHQPKGBRP-UHFFFAOYSA-N	491.573	3.591	50	40	JHGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(SC)cc2)cc1	20232117	SSLCWXVTEITEHP-PCLIKHOPSA-N	484.603	3.548	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c1	20240512	WHKUAEGMJGCHDP-VUTHCHCSSA-N	488.588	3.799	50	40	JHGB	
C/C(=C(/C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCN(c2ccccc2)CC1	100428165	UUMXSKZCMZHFIQ-CYVLTUHYSA-N	489.523	3.731	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1	408771090	DCRLBZKBRXJTHZ-PCLIKHOPSA-N	451.548	3.658	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1OC	408785537	GZIFOWDGQWFZLP-JVWAILMASA-N	495.601	3.975	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC(=O)O	408842653	BQBJMIJMCZKNOE-YVNNLAQVSA-N	461.268	3.821	50	40	JHGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(OC)c3)c2)cc1OCC	409218721	JYOIDLQHKLNCEG-UHFFFAOYSA-N	477.517	3.820	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl	409230370	CIMIHSIEVSMNRT-WJDWOHSUSA-N	460.317	3.777	50	40	JHGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1ccccc1Br	1445275	GJPUXHAQMMKDCT-LSCMLXDISA-N	453.292	3.852	50	40	JHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	2631905	NEAQQMITPPDROK-ZVHZXABRSA-N	470.938	3.863	50	40	JHGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	4106532	LZNVWNQEWUCVCN-OCSSWDANSA-N	468.557	3.816	50	40	JHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1cccc(I)c1	12629337	JGAVUUHELZXRBN-WYMPLXKRSA-N	479.362	3.728	50	40	JHGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)c(C)nc2c1	58872766	WORCXZJZEAETJW-MZJWZYIUSA-N	459.481	3.872	50	40	JHGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	408771210	DQLBMXNPDYIUFV-WGOQTCKBSA-N	465.575	3.966	50	40	JHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(Br)c2)cc1	408774428	WUEQNGPXQZEZOD-UHFFFAOYSA-N	464.385	3.999	50	40	JHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	408785536	GYWNZNCLPKETLM-FOKLQQMPSA-N	492.863	3.573	50	40	JHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	408869697	QKKHYHLOHWCPBP-SSDVNMTOSA-N	458.367	3.697	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(C)c1C	409264846	GIOVLZVZZFCNHR-CCVNUDIWSA-N	492.507	3.557	50	40	JHGB	
CN1C(=O)/C(=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c2ccccc21	409344256	INSHKUJEKPJINQ-LQZWJFLISA-N	484.581	3.614	50	40	JHGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC	1471819	HXUUGJMTZYUZLR-DEOSSOPVSA-N	473.529	3.643	50	40	JHGB	
Cc1cc(I)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O	9355338	LVQNNYAHJWKQJD-QGMBQPNBSA-N	459.081	3.832	50	40	JHGB	
O=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(COc2ccccc2)o1	16488955	QHZXUSBOWVIMFJ-SFHVURJKSA-N	462.506	3.564	50	40	JHGB	
C[C@H]1CCCC[C@@H]1NC(=S)NNc1ccc(C(=O)NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc1	35587226	LXTBFSMZVZUETA-CPLUKWAASA-N	476.716	3.744	50	40	JHGB	
COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226393613	HURKDGJKHYMIHD-FXNUXAMFSA-N	463.553	3.631	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408718635	NIXNRTVAERADKG-MYYYXRDXSA-N	463.446	3.985	50	40	JHGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1	409148687	ZSVAWXQMCRUNPC-NHCUHLMSSA-N	463.559	3.667	50	40	JHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1	409257538	SOPYXWRMNRUCSI-WKULSOCRSA-N	492.963	3.741	50	40	JHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1	409258945	WEKRDLVITRBZJA-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1	1243629	MORHREMRFLWAPR-JFLMPSFJSA-N	488.569	3.954	50	40	JHGB	
Cc1c(NS(=O)(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C	3886558	AKPHBURSSRGMJS-GFCCVEGCSA-N	483.377	3.504	50	40	JHGB	
O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	10735935	JHTCFKCRJYZUPR-UHFFFAOYSA-N	474.538	3.924	50	40	JHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(OC(F)F)cc3)c2)c(C)c1	40160860	HEFRRTVWGCSTPE-UHFFFAOYSA-N	489.500	3.780	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1cccc(C(=O)O)c1	108110163	FCKLDBXGYVXSTM-VULFUBBASA-N	461.474	3.695	50	40	JHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1OCC	408863221	MEPVWTZYMFBWEX-ZXVVBBHZSA-N	493.585	3.996	50	40	JHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1	409150662	DCVUKFUYYXPDEN-VULFUBBASA-N	464.909	3.755	50	40	JHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1	409173338	INJVTZOQWPWYSJ-LQKURTRISA-N	472.545	3.972	50	40	JHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OC	409313133	HOCCJPCNNIHOMG-OYKKKHCWSA-N	473.323	3.807	50	40	JHGB	
CN(C)c1cc(NC(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)ncn1	1624296031	CPRTWUTVWKFZFE-UHFFFAOYSA-N	456.506	3.741	50	40	JHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	13923289	YCGAKACDLXKDLH-VULFUBBASA-N	451.454	3.511	50	40	JHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1	14039496	VIKZAUWVZDBJBS-UHFFFAOYSA-N	491.544	3.723	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1O	14186356	ADHMWXAKQUZIEV-AFUMVMLFSA-N	487.965	3.784	50	40	JHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Br)cc1)c1cccc2ccccc12	19955147	IGEJQYDFPXNWON-LPYMAVHISA-N	460.353	3.519	50	40	JHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	408772768	HSUUJPZGZHGSLB-XIEYBQDHSA-N	480.546	3.893	50	40	JHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1	408774713	CSUALFCHWFUBTM-LGUFXXKBSA-N	481.574	3.835	50	40	JHGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1	408831913	WDMZFMQZRQBUSY-NLRVBDNBSA-N	469.538	3.878	50	40	JHGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F)Nc1ccc(Cl)cc1	409248880	HQGYJMKNYAUGOQ-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1)Nc1ccc(F)cc1	409254367	YXRXVLYFOFZUAF-LGJNPRDNSA-N	468.872	3.585	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1	409263873	NBGUTUWXELUQEW-ZTAUZCEESA-N	461.493	3.917	50	40	JHGB	
C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Cl)ccc1O	1001426	KQDWQPDCUCOLPB-FSJBWODESA-N	457.943	3.645	50	40	JHGB	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1	13102372	MIRNFGLBVSWMGB-UHFFFAOYSA-N	473.938	3.614	50	40	JHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccccc1O	100205524	GAECGQJAAVUTTH-NCELDCMTSA-N	451.548	3.745	50	40	JHGB	
CCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	102065946	FEUHBYAIDMTQBZ-PYHGIMPFSA-N	473.161	3.680	50	40	JHGB	
C[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccc(OCc2ccccc2)cc1	408682867	KCCWAUAIHQNUIM-OIPNKWPYSA-N	499.357	3.951	50	40	JHGB	
COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)ccc1OCc1ccccc1	408923268	GSMXVJZADFJJGQ-OJWZXOLNSA-N	481.574	3.579	50	40	JHGB	
O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	409005277	GZMQJOLYFKUFKH-LGJNPRDNSA-N	477.920	3.959	50	40	JHGB	
CCOc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC	409131296	ITXVIBVKHIYCJG-WPWMEQJKSA-N	495.601	3.744	50	40	JHGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409261296	CNJNMZCFOOYWHB-VRVUXBDFSA-N	454.246	3.971	50	40	JHGB	
CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2cccnc2)cc1	1474630	JIGURFPSPBBBGZ-PCLIKHOPSA-N	462.535	3.954	50	40	JHGB	
O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccccc1O	2215375	MADZFGXBCPCQNL-ZVBGSRNCSA-N	466.744	3.844	50	40	JHGB	
O=C(NNC(=O)c1cccs1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	9508617	SWIQZUDXRAQLDL-UHFFFAOYSA-N	470.359	3.931	50	40	JHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)c(OC)c2)ccc1OC	12275139	ITHUCAZKNFSZQM-CRICUBBOSA-N	482.558	3.754	50	40	JHGB	
O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1	13264999	WWLNTPHICYZNLY-UHFFFAOYSA-N	499.595	3.910	50	40	JHGB	
CCc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1	108097110	QOJLUEHTCFRLCR-PKAZHMFMSA-N	479.602	3.907	50	40	JHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408544144	VAQJGMFGOBDYQH-VGOFMYFVSA-N	492.269	3.942	50	40	JHGB	
O=C(NCc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408780902	MVTJOZGQNRJJHP-KBKYJPHKSA-N	477.279	3.744	50	40	JHGB	
O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408904478	KEKGXTQQIABYQJ-YXSASFKJSA-N	496.657	3.984	50	40	JHGB	
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408968119	UHXLEELKKKLCQD-OPEKNORGSA-N	492.301	3.564	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1	409028339	MEHHKHNFNNDEKD-LFVJCYFKSA-N	466.519	3.503	50	40	JHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	409249320	SZMPMGSNXJACJX-WJDWOHSUSA-N	460.317	3.777	50	40	JHGB	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2CC)cc1	1477869	TXDLEWRAYDFITF-ZVHZXABRSA-N	453.568	3.787	50	40	JHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1Br	2212318	KCGVPEZDFGSQIU-LJQANCHMSA-N	468.307	3.787	50	40	JHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1=O)=C\c1ccccc1	8820659	OOSHXLMSIKBTMR-RZTVDGLLSA-N	471.991	3.949	50	40	JHGB	
CCOc1cc(/C=N/NC(=O)c2csc3c2CCCC3)ccc1OCCN1CCOCC1	20175938	DWQGCIDZVUAOHH-PCLIKHOPSA-N	457.596	3.501	50	40	JHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1	20197317	ORSXUGZULSINNB-RGVLZGJSSA-N	454.264	3.558	50	40	JHGB	
O=C(N/N=C1\C(O)=Nc2c(Cl)cc(Cl)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1	20755670	LFJAFIBJTQZMFT-UHFFFAOYSA-N	481.361	3.904	50	40	JHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(Br)c1	39986446	XSTGOMLOHOLGJX-HAHDFKILSA-N	478.412	3.923	50	40	JHGB	
Cc1ccc(S(=O)(=O)O[C@@H]2CSSC[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1	73369169	NHKHBQRGOSNFMR-HDICACEKSA-N	460.620	3.546	50	40	JHGB	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	100768516	JOCSYNPDAMGNJA-NIIHOXDUSA-N	487.593	3.877	50	40	JHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCC(=O)O)c2)c(C(=O)OCC)c1C	408546385	IPSVKADSQIPKRA-CXUHLZMHSA-N	485.514	3.592	50	40	JHGB	
C[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccc(OCc2ccccc2)cc1	408682869	KCCWAUAIHQNUIM-ZENJAXEQSA-N	499.357	3.951	50	40	JHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1	409005510	DVAXMLUWZRXIHD-AFUMVMLFSA-N	462.462	3.693	50	40	JHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1C#N	650255	MMINSLKCRLIUGO-XODNFHPESA-N	459.550	3.962	50	40	JHGB	
COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4OC)CSC3=C2C#N)cc1OC	2236923	HIKXKHYLWVCIGL-OAHLLOKOSA-N	467.547	3.940	50	40	JHGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1	10215835	PLPPUJRGPHFMRD-UHFFFAOYSA-N	499.614	3.535	50	40	JHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	58913670	FBQKTESUHQFYSN-JFLMPSFJSA-N	460.534	3.976	50	40	JHGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	408810023	IUCGQFYQHBEOMD-OQKWZONESA-N	455.514	3.979	50	40	JHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1O	408817858	ODJCJKJSPWMRAT-JMIUGGIZSA-N	450.232	3.906	50	40	JHGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1	408830356	MHPZZDDOZWWNAC-LPYMAVHISA-N	463.968	3.756	50	40	JHGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966541	NCTVVEBIBYLGBE-FMCGGJTJSA-N	490.383	3.660	50	40	JHGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1OCC#N	409002071	LXYPXRNPGMFYPM-LDQYXZLGSA-N	456.502	3.609	50	40	JHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)c(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1	2357243	HUHORMUNKRWPDY-KRWDZBQOSA-N	497.573	3.949	50	40	JHGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1	9330077	BIVFOURJDIXXBP-GOTSBHOMSA-N	477.586	3.597	50	40	JHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2)cc1C	12137272	UJTAKZLXHJJMFS-UHFFFAOYSA-N	467.566	3.516	50	40	JHGB	
COc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1O	20247258	OSNNFAVEELKZDX-MDQJKVKYSA-N	461.543	3.939	50	40	JHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	28213626	UTKSFXACORBTFM-LQKURTRISA-N	477.586	3.774	50	40	JHGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1OCc1ccc(Cl)cc1	59246439	ILJWMRALHQWVDO-YUMHPJSZSA-N	471.985	3.829	50	40	JHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	59397875	HXIDVUYBESEZJA-ZMOGYAJESA-N	453.838	3.997	50	40	JHGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1	100951234	OZVYNLFFJJMGHF-LPYMAVHISA-N	470.504	3.962	50	40	JHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(C)=O	408760433	YPAVKCDILFGORE-RIYZIHGNSA-N	462.243	3.771	50	40	JHGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1O	408780810	LFAQTRSQFWMEME-AFUMVMLFSA-N	487.965	3.708	50	40	JHGB	
N#CCOc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	408849043	YMACKVNTVYXDDO-RPPGKUMJSA-N	459.453	4.501	50	40	JHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1	409027919	IQLLDHSXLMHIHK-CVKSISIWSA-N	470.570	3.712	50	40	JHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OC	409133162	MSXVXHZZBHGBQA-INIZCTEOSA-N	466.275	3.513	50	40	JHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)c1	409138436	BTLONFWHRSNROO-MFKUBSTISA-N	452.580	3.871	50	40	JHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409267179	MESVHXRDGLMJLT-UVHMKAGCSA-N	498.898	3.594	50	40	JHGB