smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1	5883895	LJPAVWRJILMKMR-LJQANCHMSA-N	418.453	3.798	50	40	HHGB	
CCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	21968498	OGIGZLDHHFORGC-UHFFFAOYSA-N	400.475	3.594	50	40	HHGB	
COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Cl	35494443	AFDOHYONDMGCIO-JMIUGGIZSA-N	411.683	3.813	50	40	HHGB	
CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1	97940422	JBURVXXVHOMUNK-INIZCTEOSA-N	407.580	3.961	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccc1	408801008	RBLLXVVFUVJSKC-RCCKNPSSSA-N	417.509	3.738	50	40	HHGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408944552	MUDHFQGKDCTWPD-OQLLNIDSSA-N	402.834	3.542	50	40	HHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1	1026286	QRJUOHPYKQJKRH-IBGZPJMESA-N	420.856	3.839	50	40	HHGB	
C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Br)ccc1O	1949652	WILMXUAKQKGGCC-SNVBAGLBSA-N	419.304	3.662	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)=O	4953614	NYDUBYIKDASLSQ-MHWRWJLKSA-N	409.398	3.773	50	40	HHGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O	12859325	SREDENOHHYEURL-ZVBGSRNCSA-N	421.291	3.618	50	40	HHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2F)cc1	13898677	OKVKGHMCOVEQEA-ZMOGYAJESA-N	423.400	3.842	50	40	HHGB	
O=C(NNC(=S)NCc1ccccc1)c1cc2cc(Br)ccc2o1	48136589	QJRYJEGOGHCMGL-UHFFFAOYSA-N	404.289	3.504	50	40	HHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408612897	XIURCTFTUGPZPY-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1	2255427	VRXASKMHGKHUKF-HXUWFJFHSA-N	416.506	3.540	50	40	HHGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N/NC(=O)C(=O)Nc1cccc(Cl)c1C	14921507	VNEKGYAMRWWGFJ-MYKKPKGFSA-N	421.284	3.761	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c(C#N)c1C	408546018	CITFRZNEQFQEAX-MHWRWJLKSA-N	419.462	3.726	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1Nc1ccccc1C	408708187	OOKOJGVCYUHQDB-CTODGEIFSA-N	422.529	3.892	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1ccccc1	408803390	OGZKAYRQZAIVHF-RCCKNPSSSA-N	411.461	3.927	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1	409011897	OZNXLPITMNILCV-UDWIEESQSA-N	413.231	3.912	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1	409125119	JCLLHZMQZTXJGJ-HKOYGPOVSA-N	421.522	3.974	50	40	HHGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	707508	GIQCNBWFUYNEGC-BXKDBHETSA-N	406.653	3.600	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)o1	1087402	XCAPIBPEGNPCGU-OMCISZLKSA-N	402.042	3.583	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC[C@@H]1CCCO1	2247914	UXWODVQNIBTBKL-NRUITVPNSA-N	400.818	3.500	50	40	HHGB	
O=C(CF)N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1	3200615	MYDJCXSRDKOHGG-OAHLLOKOSA-N	408.624	3.783	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H](C)Br)cc2)cc1	6204379	SKEOATKXRQVMAJ-CYBMUJFWSA-N	405.244	3.724	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)c1	9311553	QJEOMLSWNIRHAT-RIYZIHGNSA-N	415.243	3.767	50	40	HHGB	
CCSc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1	12947348	UHKAQNDCWUPBFX-GFCCVEGCSA-N	423.332	3.790	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(OC)c([N+](=O)[O-])c1	408710693	FUGGXJGJKFZANJ-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1O	408864429	VQAXQCXZMSUUJJ-VCPLEAFOSA-N	409.667	3.980	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1	20100877	GCUXGGOHJUDTPF-OEAKJJBVSA-N	424.478	3.895	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C	100752205	QDUQFNCLLSVNFQ-AGRHKRQWSA-N	408.292	3.571	50	40	HHGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc2c(cc1Cl)OCO2	6283626	ZSKXJTYPHNHLCZ-FBCYGCLPSA-N	405.888	3.921	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1	408986310	PPSHPINQOQZEAN-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)cc1C	408905386	YGLTYXYWGLAJRP-NVMNQCDNSA-N	409.227	3.769	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409385372	ICAOKBNEBSXXCD-FOKLQQMPSA-N	403.866	3.671	50	40	HHGB	
Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)c(C#N)c1C	409204428	GMLCWMVFJZHQBU-MMWCCMKASA-N	408.527	3.846	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OCC	3088518	AVLWZZBUJUXZDZ-OEAKJJBVSA-N	415.877	3.782	50	40	HHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)COc2cccc3cccnc23)cc1	4675715	SDLYFRKRWFDFPS-MFKUBSTISA-N	400.438	3.563	50	40	HHGB	
Cc1ccc(C(O)(C(=O)NN(C(=O)CCl)c2ccccc2)c2ccc(C)cc2)cc1	4857426	HYAMLPABCRCBKZ-UHFFFAOYSA-N	422.912	3.843	50	40	HHGB	
N#CC(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)=C1Nc2ccccc2N1	5184155	QXGTVLMQOBYQMW-UHFFFAOYSA-N	400.438	3.876	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1	5986608	DWPNUXOIHTZNBS-YDZHTSKRSA-N	419.441	3.725	50	40	HHGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2cc4c(cc2Cl)OCO4)C(C#N)=C(N)O3)cc1	8382629	WZKXSRUAWLNXSX-KRWDZBQOSA-N	422.828	3.686	50	40	HHGB	
Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(C3SCCS3)cc1)OCO2	408569456	NUZOUZTXUUEGFV-UFFVCSGVSA-N	416.524	3.731	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccccc2Cl)cc(OC)c1OCC(=O)O	408817956	XCGMCCUQLIELFA-JJFYIABZSA-N	417.849	3.696	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC	408840236	CRQZGUWCRCDZIE-CIAFOILYSA-N	403.822	3.976	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1OC	409311042	DUNVVFXMJYSRJA-MTJSOVHGSA-N	419.275	3.795	50	40	HHGB	
CN1C(=O)[C@@]2(c3ccccc31)[C@H]1C[C@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	4631763	MHTZLADISVCCNT-HBVFZEQNSA-N	411.509	3.683	50	40	HHGB	
O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1	8878395	XTEMHMHVJONEHX-SFTDATJTSA-N	420.490	3.507	50	40	HHGB	
O=C(NNc1ccc(OC(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1	12985455	BDHKKTRXMROUQY-UHFFFAOYSA-N	408.424	3.876	50	40	HHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCCC3)cc2)CC1	20240540	IMDMGGDTTZSRAK-UHFFFAOYSA-N	406.530	3.677	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1I	30822094	VHEBSAITQXYIEF-NVMNQCDNSA-N	414.630	3.717	50	40	HHGB	
O=C(Cn1cccc(C(F)(F)F)c1=O)NN(Cc1ccccc1)c1ccccc1	58625934	CXRKDESADJNAAJ-UHFFFAOYSA-N	401.388	3.605	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1Cl	58884781	GUTJVSXZWWQIJD-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408535094	XOIWODZKDLOYLE-GZIVZEMBSA-N	400.744	3.829	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1OC	409360309	DRLDBACACYTDPB-YDZHTSKRSA-N	423.425	3.873	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3146211	NYAFFGLNGVMJIG-HYARGMPZSA-N	420.381	3.988	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	6792664	JIBOHSFGTLFICO-ZMOGYAJESA-N	421.453	3.573	50	40	HHGB	
COc1ccc(S(=O)(=O)Nc2ccc(SC#N)cc2F)cc1Br	9670931	YQDUHDLDFRJESQ-UHFFFAOYSA-N	417.281	3.971	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1	12275750	XJNXMJXCTZEELR-LAUBAEHRSA-N	412.898	3.992	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCN1CCOCC1	26967742	JJSQXNWXEAGURS-SDNWHVSQSA-N	420.296	3.609	50	40	HHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(O)c(Br)c1	35494321	LEYOJSDZTAYKQJ-NVMNQCDNSA-N	412.081	3.610	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OCC	104129076	SXLOLWQETLGRLO-AFUMVMLFSA-N	417.465	3.748	50	40	HHGB	
O=N[C@H]1[C@@H]2C[C@@H]([C@H]1Br)[C@H]1C[C@H](Br)[C@H](Br)[C@H]21	104378742	SZPWXGQNCFUWFY-UYXHWWNMSA-N	401.924	3.698	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)C(C#N)=C(N)O1	931601	QXFVBSZLJKMSHH-GOSISDBHSA-N	407.470	3.570	50	40	HHGB	
N#CC1=C(N)N(c2ccc(C(N)=O)cc2)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F	721277	LHXYJPKFKYLZFP-UHFFFAOYSA-N	416.325	3.848	50	40	HHGB	
Cc1cc(C)n2nc(S[C@@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)nc2n1	104309368	QDUDINSPCYFDQT-PAXVZKIFSA-N	408.512	3.744	50	40	HHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)oc12	409098482	QATBPZRLFTXSDS-UFWORHAWSA-N	418.749	3.675	50	40	HHGB	
O=C(N/N=C/c1ccco1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247267	WPSIFAGSFNVLCQ-XMHVBLFMSA-N	405.479	3.818	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)cc1OC	4735416	LUZNZIQEKHBMES-PCLIKHOPSA-N	418.449	3.616	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1OCc1ccccc1	408718296	HUPFKPFENZOKQM-PCLIKHOPSA-N	423.513	3.563	50	40	HHGB	
Cc1n[nH]c2c1[C@@H](c1ccc(COc3ccc(F)cc3Cl)o1)C(C#N)=C(N)O2	5728507	GHAHFAUNJDDIPN-QGZVFWFLSA-N	400.797	3.901	50	40	HHGB	
CC(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2Br)cc1	2675836	MQZUGCLKIJFRGQ-YDZHTSKRSA-N	416.319	3.843	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1	4854677	ALIGOHQMDLGTOU-DHDCSXOGSA-N	414.845	3.836	50	40	HHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(Br)c1	59333560	WPECWYQIBFEXTO-MFOYZWKCSA-N	410.271	3.895	50	40	HHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCSc1ccc(Cl)cc1	409001906	XSDWDYBTGZGXQN-UDWIEESQSA-N	406.895	3.947	50	40	HHGB	
N#CCn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	2251396	BIWYEGLUXAWFFP-WPWMEQJKSA-N	408.461	3.551	50	40	HHGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O	3644103	GLTJXPHDLNEABY-DTQAZKPQSA-N	416.481	3.746	50	40	HHGB	
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(C)cc2)C1=O	5562998	ZEXHGDQGDBYHAE-PAYQVUOSSA-N	405.523	3.948	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)c1	409375299	IPZHYJLQUNJPEC-RGVLZGJSSA-N	402.454	3.941	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c(C)c1	20208111	LENWOHUMPJLXRW-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
C/C(=N\NC(=O)COc1ccccc1C)c1cccc(I)c1	408784856	VUQPGMTZGNPGNA-CPNJWEJPSA-N	408.239	3.519	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2ncnc(N)c12	408972490	CRWDPUFNIKSNKH-LIMNOBDPSA-N	422.426	3.514	50	40	HHGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccccc2)cccc1[N+](=O)[O-]	409225856	RJKZEQZYKIYTQX-UQGWDDBZSA-N	415.405	3.978	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	32522867	ALBIEHLCKBTURQ-WSDLNYQXSA-N	420.450	3.618	50	40	HHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	1051962	GKUISMKINXKZSN-KEBDBYFISA-N	421.316	3.758	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	1453939	WNPNIPSYKVZRKX-UKTHLTGXSA-N	415.243	3.790	50	40	HHGB	
CC[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O	2449728	NFEJPXDFKCSRDH-SBOLGIJOSA-N	409.486	3.778	50	40	HHGB	
C[C@]1(C(=O)NN=C2C3CC4CC(C3)CC2C4)CC1(Br)Br	5696431	KQJJGRRHHCKPFV-XFOGCTRUSA-N	404.146	3.811	50	40	HHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21	7385558	KPHHBEMXTPCVAK-MFKUBSTISA-N	418.497	3.569	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2nc3ccccn3c2C)ccc1OCc1ccccc1	12499370	OLOUBWXXJDMUTI-MFKUBSTISA-N	414.465	3.994	50	40	HHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(OC(F)(F)F)cc1	15683823	JFFNREKLGWKBLV-UHFFFAOYSA-N	420.343	3.832	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	16758807	NWPCTIUGNOOABZ-XUMLYMLNSA-N	415.877	3.651	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)o1	34771115	XZAXWZJYYUTIFC-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1	408955454	XICRPGAKRCAQQT-IUXPMGMMSA-N	416.069	3.506	50	40	HHGB	
O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1	409006436	NWDRLEYBVAEGBI-WYMPLXKRSA-N	405.832	3.621	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	1098346	KZGYLILVYUUREN-KEBDBYFISA-N	421.316	3.619	50	40	HHGB	
Cc1cc(Br)c(OCc2ccc(C(=O)NN)cc2)c(Br)c1	3219867	SPHAWFCEDPCJJD-UHFFFAOYSA-N	414.097	3.703	50	40	HHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC	9202288	WCTQOEMETAPWKH-LPYMAVHISA-N	415.287	3.932	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9203454	KZUNTYREKXGZGT-KEBDBYFISA-N	411.683	3.813	50	40	HHGB	
N#C/C(C(=O)CN1CCN(c2ccccc2F)CC1)=C1\NC(c2ccccc2)=CS1	12524395	CEIOWAVWFLHGOR-NKFKGCMQSA-N	420.513	3.587	50	40	HHGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	105059598	SBPQLYQNCQHQRS-OEAKJJBVSA-N	405.410	3.703	50	40	HHGB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)CCC(=O)O	250847508	JQDSGLIUUVQLER-KKYNKDMISA-N	402.535	3.647	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c(F)c1	408966992	OQBUHSBDYNFFPD-NGYBGAFCSA-N	415.016	3.579	50	40	HHGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1cccc(Cl)c1	2438788	HOFXNMZUQVDZAO-UFFVCSGVSA-N	403.870	3.517	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1C	8319567	NERCLDQGNHEXQB-UHFFFAOYSA-N	404.466	3.576	50	40	HHGB	
Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)CC(C)C)cc12	17820247	KSZRUVCALSGVIK-UHFFFAOYSA-N	404.923	3.915	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc1O	20786696	CDYOUPSGIBZZTC-ZVHZXABRSA-N	406.438	3.509	50	40	HHGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccc(Br)cc1	226337272	GBOVNHXPOUAWRN-QPJJXVBHSA-N	411.683	3.693	50	40	HHGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1OC	408580752	DSLCJWHVWWXVBD-MKMNVTDBSA-N	403.818	3.893	50	40	HHGB	
CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1OC	409365029	YLQKARKRDUCCDH-MTJSOVHGSA-N	405.292	3.858	50	40	HHGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2ccccc21	2291069	LORSZGHNEPDFLV-PCLIKHOPSA-N	406.486	3.836	50	40	HHGB	
O=C(CCCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Br)cc1	3395129	KTQNFVBFTFNROC-UHFFFAOYSA-N	400.276	3.714	50	40	HHGB	
CCCCCC(=O)NNC(=S)NC[C@H](Cl)Cc1cccc(C(F)(F)F)c1	4175640	PNHJNIJCIBOYRR-CQSZACIVSA-N	409.905	3.931	50	40	HHGB	
Cc1cc(OC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1[N+](=O)[O-]	7037621	MPZOFVMDGKGMRU-UHFFFAOYSA-N	418.471	3.605	50	40	HHGB	
CCC1CCC2(CC1)NC(=O)N(CC(=O)NN(c1ccccc1)c1ccccc1)C2=O	7736305	QYBQUUJNQANPNX-UHFFFAOYSA-N	420.513	3.747	50	40	HHGB	
COC(=O)Cn1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21	18271844	ICIXVCCTFJYKPV-CAOOACKPSA-N	409.449	3.823	50	40	HHGB	
NC(=O)N[C@H](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	25381946	SPGAAKNDOAYIOM-CYBMUJFWSA-N	401.681	3.890	50	40	HHGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1	33339734	PSBXZHOKFTXUPM-KAMYIIQDSA-N	417.250	3.903	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1F	59101493	OPKASYDSIHSNHC-DHRITJCHSA-N	409.392	3.633	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	100879240	JJRVIHWWZZMRLG-LPWJVIDDSA-N	415.125	3.730	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1	408791683	ATRGLDXAMALKEG-GXDHUFHOSA-N	412.243	3.906	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	408986670	SFNBLALQANLTNK-BIKZULFDSA-N	402.498	3.730	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)OC)c3ccccc23)cc1	871182	RCKNXMTVKGCLCY-FOWTUZBSSA-N	403.438	3.759	50	40	HHGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1O	1106774	RCEUAYGNELHATM-WSDLNYQXSA-N	409.398	3.938	50	40	HHGB	
C[C@@H](C(=O)NNC(=S)Nc1ccccc1)c1ncc(C(F)(F)F)cc1Cl	1396667	HUUWGBQNKMIJDJ-SECBINFHSA-N	402.829	3.875	50	40	HHGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)c(OC)c1	1810793	KGFAQHDJEATUJI-PJBLTWOLSA-N	420.465	3.756	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](OC)c3ccccc3)o2)cc1	4502653	GKZJQMCBLNOYPW-MNQDVBFDSA-N	406.438	3.961	50	40	HHGB	
CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OC(CCl)CCl)cc1	4646394	AOFIFAFZYGLVDH-OBQMCUGOSA-N	412.313	3.852	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccc(C)cc1	4679595	LZDUMDJJYWRYQK-KQWNVCNZSA-N	423.542	3.915	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(C)n1CC(C)C	5180757	JPLOVIOFSRCYAY-UFWORHAWSA-N	408.454	3.823	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl	20100755	IDMROVHJSCHYOS-YDZHTSKRSA-N	412.877	3.762	50	40	HHGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	58913954	ARMLUQOLONRHAM-KSEXSDGBSA-N	407.301	3.543	50	40	HHGB	
Cn1c(N2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)nc2ccccc21	79495285	CBNQONMCRKVJHC-INIZCTEOSA-N	404.605	3.936	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408613474	ZVCPMYFVVPXERX-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408999580	UZQJNUSKNXDWBC-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1	3061050	HIYZMLAWXJCELF-CIAFOILYSA-N	402.292	3.663	50	40	HHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)c1	6606922	DHAPYKGTTHOFOX-YDZHTSKRSA-N	415.559	3.506	50	40	HHGB	
C#CCn1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21	8812685	OVNRENMHULIIHU-WSDLNYQXSA-N	410.271	3.810	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1C(=O)O	20246279	MOQDPZFVDVZENW-DJKKODMXSA-N	407.289	3.531	50	40	HHGB	
C[C@]1(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1(Cl)Cl	12554705	PFWUVJGTYBWDJT-LJQANCHMSA-N	415.280	3.642	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1	409007834	ZLYSWKSKMHRRPD-LEBHPONQSA-N	401.466	3.593	50	40	HHGB	
Cc1c(/C=N\NC(=O)COc2ccc(Br)cc2)c2ccccc2n1C	408852705	HRDBMNRXRZSPAW-NHDPSOOVSA-N	400.276	3.778	50	40	HHGB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408602783	DQVZBZITTAKFSZ-INIZCTEOSA-N	400.529	3.745	50	40	HHGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1ccco1	30838858	JSNXXOYMMUDOAY-CFRMEGHHSA-N	422.437	3.653	50	40	HHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21)c1ccccc1	46084827	OHSQMNUFKVYWNN-DAFNUICNSA-N	419.868	3.900	50	40	HHGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(N)(=O)=O)cc3)n2)cc1	95346048	OPDKJPKTEKQDOH-FOWTUZBSSA-N	410.524	3.996	50	40	HHGB	
N#C/C(=C/c1cccc(Br)c1)C(=O)N1CCN(c2ccccc2F)CC1	4465316	YMMWQKBISFYOQG-VBKFSLOCSA-N	414.278	3.844	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O	408778957	NNSYMPBQHVLCJE-PXLXIMEGSA-N	421.950	3.539	50	40	HHGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1	408826451	DINVYVYLCYXJFR-YZSQISJMSA-N	417.465	3.867	50	40	HHGB	
O=S(=O)(C(Br)Br)[C@H](Br)c1ccccc1	1702017	MXOXURLECMKCIW-ZETCQYMHSA-N	406.921	3.568	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c1O	5176439	WLYIYJZDDTUOCW-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1	10475802	RLVILWHBCPYMJR-OEAKJJBVSA-N	423.425	3.955	50	40	HHGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(F)cc2)cc1	15994308	LTDXOSNUTVRDBL-VULFUBBASA-N	419.412	3.961	50	40	HHGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	6453425	HBGYIAIIQFJPNV-HNNXBMFYSA-N	411.458	3.545	50	40	HHGB	
Cc1ccc(C(=O)CN(NC(=O)c2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	9591992	ZEUKTGPWJPPVHM-UHFFFAOYSA-N	417.421	3.573	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	59426162	VHEBSAITQXYIEF-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cc2cc(Br)ccc2o1	83329034	HILHOYCSXXQBNI-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
O=C1c2ccccc2C(=O)N1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104189601	YWJLUJIKQDRGFU-UHFFFAOYSA-N	423.452	3.967	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C	409369668	UWSOTVXRAYOTAD-CPNJWEJPSA-N	419.481	3.551	50	40	HHGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cs1	1426972	KRJCCTZGOZLVHM-NSHDSACASA-N	411.302	3.885	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nc2ccccc2s1	6061235	WYNKBPNUHHXEFU-UHFFFAOYSA-N	407.904	3.512	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1Cl	9374957	SOPDLPSDGHVDMB-CYBMUJFWSA-N	401.875	3.952	50	40	HHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCN(C(=O)NC2CC2)CC1	40143082	BTQQKQUFSBBUDR-UHFFFAOYSA-N	405.713	3.674	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	58913354	SDWDAWMWNHVHCJ-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2C)c1	223154371	QBSPRYCDRKXMSA-QFEZKATASA-N	418.497	3.808	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)o1	408527163	FFKPTRPCELSSLP-FSJBWODESA-N	408.414	3.734	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C	408591252	SIKNXHXIFCOFGN-WSDLNYQXSA-N	421.413	3.983	50	40	HHGB	
Cc1c(Br)c(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccccc1	408850408	NFEKPKXFMPARMQ-VBKFSLOCSA-N	414.303	3.622	50	40	HHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1	409134285	NZZVYMOGBRQQJJ-PMACEKPBSA-N	422.506	3.545	50	40	HHGB	
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409148949	UWPZWIAKGDBTCK-QGZVFWFLSA-N	419.275	3.671	50	40	HHGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	2727070	XVYDBXZMEUERKP-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
O=C(N/N=C1\SCC(=O)N1c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	5027617	MFOQSJKELLFQHY-XDOYNYLZSA-N	406.423	3.529	50	40	HHGB	
CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	19827453	PDFACFCEWVRGKX-HKUYNNGSSA-N	411.431	3.841	50	40	HHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	101864027	HMRVCSQTKXZTRO-DHRITJCHSA-N	401.466	3.985	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O	958382	PVFWJOGICMDPFN-LSHDLFTRSA-N	408.508	3.645	50	40	HHGB	
O=C(O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccccc1O	5338232	FUYPMEPXCNRVER-UEIZDATPSA-N	409.313	3.791	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl	5514090	FKSGTCDTRYJKOV-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1	9090867	UGNFYMQMUKLFSQ-SAPNQHFASA-N	423.423	3.769	50	40	HHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccccc1Br	12623440	BHBCSYVQNARBJB-NTUHNPAUSA-N	414.211	3.511	50	40	HHGB	
COc1cc(C(=O)Cl)cc(I)c1OC(=O)c1ccccc1	226364495	ZRKUMJYZXVOXAU-UHFFFAOYSA-N	416.598	3.898	50	40	HHGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409322414	WSJQHGVCDXAKFZ-MRXNPFEDSA-N	403.935	3.814	50	40	HHGB	
CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1	704522	MQAFPUAGAZXBHD-CIAFOILYSA-N	405.292	3.939	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(Br)cc1	843135	DBLZJNOIPZXFDL-SFQUDFHCSA-N	414.303	3.622	50	40	HHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(Br)c1	3153372	ZTGMUTSHTFZOGX-DJKKODMXSA-N	411.097	3.774	50	40	HHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1I	4472781	WSPBJPVJFUAWLA-GHXNOFRVSA-N	418.190	3.566	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	12531893	UDLUUHKKQMVHSN-UHFFFAOYSA-N	403.467	3.583	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20348154	MYAGWVLRJDSCKY-INIZCTEOSA-N	411.483	3.512	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1Br	33700746	NRMFWEOZQIABSF-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	58536830	RYVBWJFXQYVCJR-ZROIWOOFSA-N	405.292	3.988	50	40	HHGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(I)cc1	408784010	QHCZCNUBKTUIDP-WOJGMQOQSA-N	423.210	3.662	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408792826	LNNXJDQFVPCOBO-LDADJPATSA-N	408.454	3.745	50	40	HHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OC)c2)ccc1OC	409320931	FWSLUESDLLVSCD-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
CCCCCCOC(=O)[C@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1	4824909	GDJRGSSZHLYQHX-QGZVFWFLSA-N	419.393	3.973	50	40	HHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(N3CCCCC3)nc12	5022724	PFKNAIMROJHIMW-SAPNQHFASA-N	410.481	3.934	50	40	HHGB	
C/C(=N/OCC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3)c1cccs1	5725193	DMMXRXUCFWGGAY-WENZTTJZSA-N	411.483	3.970	50	40	HHGB	
CCc1cccc(CC)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	6343533	DXTCIVOADGNWEJ-ZDLGFXPLSA-N	406.438	3.629	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1cccc(C(=O)O)c1	59247967	AOZHQBBACGRMDD-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
CCc1c(OC)ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1OC	408728002	UNARPUPTGFLAGL-SRZZPIQSSA-N	417.487	3.558	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OCC	409375301	IQUQLYWQCSUEFS-WSDLNYQXSA-N	420.307	3.809	50	40	HHGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCCBr)cc1)C(=O)O	1542984431	OHDBYIAPAANYAO-HNNXBMFYSA-N	416.312	3.761	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1	17207630	HENFJCNHOTXPOW-QGZVFWFLSA-N	403.398	3.602	50	40	HHGB	
CCCN1CC=C2[C@H](C1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N	36042400	ARRIRAODOMDOOX-PKOBYXMFSA-N	422.330	3.584	50	40	HHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc2c(cc1Br)OCO2	59437045	RBYKADTTXOILRJ-DNTJNYDQSA-N	421.316	3.870	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408745373	RCRAQFVGLJCWRP-NVNXTCNLSA-N	414.845	3.755	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)C(C#N)=C(N)O1	931603	XVCGSYLETOJJRY-GOSISDBHSA-N	407.470	3.570	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1	2888258	MMONELUIJXKTMT-QUWSGOTNSA-N	411.914	3.821	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(OC)c1O	4168841	DZRHMWRVXHWHJO-INIZCTEOSA-N	424.482	3.696	50	40	HHGB	
CCOC(=O)C1=C(N)N(c2ccccc2)/C(=C(/C#N)c2nc3ccccc3[nH]2)S1	5724243	FWYZHYZNKNWFGD-XSFVSMFZSA-N	403.467	3.699	50	40	HHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1OC	12276114	BIASQGKGQRKGEX-HXOBKFHXSA-N	422.506	3.655	50	40	HHGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1	20348369	QUBJEKQPZVIAGM-SFHVURJKSA-N	421.522	3.919	50	40	HHGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1	2746898	XEPVVBSBDFDFSA-ZVHZXABRSA-N	420.542	3.627	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC	8227529	OZFPHPGHFGYXRO-RGVLZGJSSA-N	401.513	3.946	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	13540861	TVNMKWOJSULHBJ-VOBQZIQPSA-N	422.319	3.961	50	40	HHGB	
COc1cc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)ccc1OCc1ccccc1	20029480	QNSTYVAUWFHLSV-GOSISDBHSA-N	421.522	3.919	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c(C)c1	32895693	ATWBUPBMCBJXCL-UHFFFAOYSA-N	406.486	3.871	50	40	HHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1cccc(Cl)c1	58823394	SPPYOBULTYMKQF-HYARGMPZSA-N	414.870	3.872	50	40	HHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cc(Cl)ccc1O	100089503	HYOSOIQFRHLODP-WYMPLXKRSA-N	403.910	3.626	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC(C)C)cc1	408602522	CGKHAHWMCOAGOZ-SFHVURJKSA-N	412.515	3.669	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408741407	LTAYFEURZPBMSS-YBFXNURJSA-N	404.220	3.686	50	40	HHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408807112	KHHVCSUURLGSNS-QAZQYGAVSA-N	402.292	3.953	50	40	HHGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1cccc(Cl)c1	3084127	YNPRMULOMKCLMH-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccs1	4865415	PLWGRCLZXSWXTB-LDADJPATSA-N	405.526	3.764	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1O	8183291	CRNMYUPIEVGIRC-ZVHZXABRSA-N	406.438	3.606	50	40	HHGB	
COc1cccc(OCc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)ccc2OC)c1	8973171	AYSVQDPGGDNPEY-NRFANRHFSA-N	418.453	3.533	50	40	HHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	16189826	CQGVYFBIGPOYCR-ZROIWOOFSA-N	415.243	3.547	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c([N+](=O)[O-])c1	33636724	UCGZTLAURHGEGV-SDQBBNPISA-N	402.204	3.917	50	40	HHGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cccc(CC#N)c3)cc12	40128724	RICJEJUDBRLBGE-UHFFFAOYSA-N	415.478	3.536	50	40	HHGB	
CCOC(=O)c1nc(N(CC)CC)sc1P(c1ccccc1)c1ccccc1	96022214	KQYMALWPGDLILZ-UHFFFAOYSA-N	412.495	3.924	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)o2)cc1	409206434	OIGAZEXCYJAHFW-PXMCARDJSA-N	401.422	3.881	50	40	HHGB	
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=S)Nc1ccccc1	2571234	MWPJOALWJNDXNA-UHFFFAOYSA-N	420.869	3.864	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1	12275280	LEZIJSCNTUPHML-GCJKJVERSA-N	410.470	3.868	50	40	HHGB	
COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	3311147	HPMREUGRGCSPPW-NTEUORMPSA-N	406.223	3.779	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)cc2)c1C	5674602	MFLHXROCVFLJID-WOJGMQOQSA-N	400.862	3.738	50	40	HHGB	
CC/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(OC)c(OC)c1	9138656	QNVITNUQWRHYSA-LTGZKZEYSA-N	421.291	3.776	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1	9304579	JQFJTFBIIVGABK-MLJKTZRHSA-N	406.269	3.677	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1	408889881	KJPCVSBKZPCMIF-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)cc1OCC	409315694	WAHNLRPUUHQLPG-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1	408731115	KQIAKCXRLDZDMY-LPYMAVHISA-N	412.519	3.621	50	40	HHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1O	36101859	MUFQCULSVARVOM-WSDLNYQXSA-N	415.446	3.526	50	40	HHGB	
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	12501418	YTDXBWJJNCSLMP-UHFFFAOYSA-N	402.690	3.596	50	40	HHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(Cl)cc1	31870575	AGRFKDZZSJOFLL-YSMPRRRNSA-N	405.885	3.738	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)c(OC)c1	2241988	GTRVVDHNRBCNCH-QGZVFWFLSA-N	407.495	3.923	50	40	HHGB	
N#CC1=C(SCC(=O)Nc2nccs2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	2694719	QSGINGAAEMOORI-INIZCTEOSA-N	412.496	3.537	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1	3043425	UIIBZRAXZHEYRV-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc(C#N)cc3)c2)c1	8811120	VOHLNXDYUBGFMU-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1	12275551	JCUIBYWUGRMTFY-FDDCHVKYSA-N	422.506	3.737	50	40	HHGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408874463	BZXODISRIRJFRQ-LFYBBSHMSA-N	402.204	3.912	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c[nH]c2ccccc12	408968711	BOFDKKKSPNNNDW-ODDBZWQPSA-N	420.513	3.536	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	672503	JFIDUZHIEAEQSP-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)c1	58912948	UOFDAHNRRFSPKM-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1ccc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1	408954412	SXGQTUNSHSCCKZ-APSNUPSMSA-N	417.057	3.969	50	40	HHGB	
O=C1c2ccccc2C(=O)N1C[C@@H]1CC[C@H](Cl)C[C@H](CCBr)O1	952958942	SGNANNCODPJDBG-AVGNSLFASA-N	400.700	3.613	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1	1433653	ZVESHZFSJKZNGO-CVKSISIWSA-N	417.465	3.785	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CC2(C)SCCS2)o1	9489285	GPUAMUDWOZBOQK-YBFXNURJSA-N	421.500	3.900	50	40	HHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)NCc1ccccc1	58823474	VTJMNPWANIRNMF-HMMYKYKNSA-N	418.474	3.678	50	40	HHGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1	408541147	FANADQXLGAONLS-QPEQYQDCSA-N	401.216	3.702	50	40	HHGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)o2)c(Br)c1	108586722	PMYUJELOIWFORE-KAMYIIQDSA-N	401.260	3.783	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408739876	BGNYOEMAZXEGDG-ZVHZXABRSA-N	400.394	3.809	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1O	408904107	DWIVJHSXEGIUME-UKWGHVSLSA-N	403.778	3.863	50	40	HHGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	793641	UZLYCYSCFFLXSJ-REZTVBANSA-N	412.265	3.565	50	40	HHGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)ccc1O	2241220	FAHVXOIIVWYVAS-QGZVFWFLSA-N	407.495	3.929	50	40	HHGB	
C=CCc1ccccc1OCC(=O)N/N=C/c1cc(OC)ccc1Br	3167213	QXUWEBDBGMKOET-CIAFOILYSA-N	403.276	3.715	50	40	HHGB	
CC(C)C(=O)NNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3	4218028	GUIOEQPISNTCMH-LLVKDONJSA-N	418.588	3.589	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3s2)c(OC)c1	4871925	IWXMMTWGPAWGOV-MTJSOVHGSA-N	401.513	3.946	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1	6510218	BFQQRPVPYHWPQG-OVCLIPMQSA-N	401.260	3.819	50	40	HHGB	
CC(C)N1CC=C2[C@@H](C1)[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)C2(C#N)C#N	33729057	APYTWXMHKZUJOM-VQIMIIECSA-N	411.431	3.839	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408820251	WEBZNHDWGYADKE-YVLHZVERSA-N	410.857	3.593	50	40	HHGB	
CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409133396	MGPSQYOZSXHGKB-KRWDZBQOSA-N	402.292	3.578	50	40	HHGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OC)c(OC)c1	409360762	FTBQANPHPVAUPK-PCLIKHOPSA-N	402.450	3.562	50	40	HHGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)no[n+]1[O-]	3671665	BPKHRLGWVWLHOF-LICLKQGHSA-N	422.397	3.567	50	40	HHGB	
CCOC(=O)[C@@H](Br)CCCCCC[C@@H](Br)C(=O)OCC	4899947	ODDKGDUYOMCJEH-TXEJJXNPSA-N	416.150	3.980	50	40	HHGB	
CN(NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccccc1	8172294	GSVIKENABPMHBK-WUKNDPDISA-N	407.495	3.880	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc2c(c1)OCO2	10037836	PPFKBYRZOWBZPX-LSFURLLWSA-N	412.785	3.791	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1	33785237	PSVIDMQVGYQFGY-MTJSOVHGSA-N	419.275	3.795	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1	408819825	SBCNMBIZALGOME-GDNBJRDFSA-N	419.393	3.792	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1	3225290	BFCDBMBLTJWFOJ-YDZHTSKRSA-N	400.475	3.539	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	3572269	XWVXGVVGELOLRO-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
COc1cc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)ccc1OC(C)C	4513989	CRGVOHPKYVUTRN-IBGZPJMESA-N	413.474	3.921	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC	7158743	HVJAYGAYKJTFRZ-MHWRWJLKSA-N	415.287	3.732	50	40	HHGB	
COc1c(O)cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1Br	8295280	MTDMUNZSFKGCTE-UFFVCSGVSA-N	422.323	3.765	50	40	HHGB	
COc1ccc(C(=O)[C@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Cl	94992613	QJUOPEGORMEIMG-CYBMUJFWSA-N	422.662	3.591	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1Nc1ccccc1C	408708578	QQSLMXFRCSKCHN-AFUMVMLFSA-N	420.444	3.975	50	40	HHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc([N+](=O)[O-])c1O	408905426	YLKSPBQOHFBKBP-LSCVHKIXSA-N	423.223	3.536	50	40	HHGB	
O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2	2802069	ZWLREGCNTRGRIU-SRZZPIQSSA-N	404.264	3.520	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)cc1	4598869	OIOYGZGBCCQARB-OEAKJJBVSA-N	403.866	3.557	50	40	HHGB	
Cc1cc(Br)cc(/C=N/NC(=O)c2cccc(Br)c2)c1O	9668310	JAAPYPXJGQSBIL-QGMBQPNBSA-N	412.081	3.990	50	40	HHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	12402249	KBOKZVBJSGDMKZ-SANMLTNESA-N	424.504	3.758	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cc(Cl)ccc2O)c(Br)c1	15938626	ROYRODWKOLBXCI-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N	19827520	ARRIRAODOMDOOX-HKUYNNGSSA-N	422.330	3.584	50	40	HHGB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	103503746	YPFZSDWPWYCDNR-RYQLBKOJSA-N	400.482	3.884	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408608707	IHVSHLFHRXEZDE-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1	408843349	SXYMVTDFFQPNAS-SRRANQMSSA-N	406.891	3.523	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OCC)cc2nc1Cl	933843	VEPLBKAJDFOLSY-GOSISDBHSA-N	413.861	3.932	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Br)cc1	3254311	CZKOONZMOATGGU-OQLLNIDSSA-N	401.260	3.819	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC	4922395	AVNPVWYOJLGWMP-KRWDZBQOSA-N	407.495	3.923	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1	34837995	BEWMYFGQWDIOPJ-HAHDFKILSA-N	423.473	3.698	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)cc(OC)c1OCC(=O)O	59302219	CCGNOSFSBCWJFO-UNOMPAQXSA-N	420.465	3.995	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1	59335074	BYBFPBPIMVGSEN-SDQBBNPISA-N	402.204	3.917	50	40	HHGB	
O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	409184245	JSIZDKWBKKXMCQ-WYMPLXKRSA-N	412.902	3.951	50	40	HHGB	
CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c(OC(C)C)c1	409360776	FTZISZQNTMIOOC-OYKKKHCWSA-N	412.486	3.725	50	40	HHGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2ccco2)c(Br)c1	1051737	VBIRVRKBCBKFJA-CNHKJKLMSA-N	415.085	3.675	50	40	HHGB	
COc1cc(Br)ccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	1073584	SIFXJBDAWSZSCU-MRXNPFEDSA-N	403.276	3.909	50	40	HHGB	
CC(C)C(=O)NNC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3	4218029	GUIOEQPISNTCMH-NSHDSACASA-N	418.588	3.589	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)c(Br)c1	5756906	FAUTYDOUHAVYQQ-ZVBGSRNCSA-N	401.182	3.866	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	58951625	WUGLRGBFHHOWKZ-SRZZPIQSSA-N	423.256	3.502	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)C(C)(C)C	211017109	PFFHEWFEEXPHLD-CJLVFECKSA-N	401.532	3.805	50	40	HHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(I)c1	408923197	JRFXRGORCALURI-QGMBQPNBSA-N	402.594	3.848	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCCC2)c(F)c1	409093857	AZVBHOUWQRLKPY-UUYOSTAYSA-N	420.282	3.718	50	40	HHGB	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c1	664741	QGNZXMMDXMNHKI-LJQANCHMSA-N	402.454	3.929	50	40	HHGB	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2	4004495	FARLAARCGKMBHE-MRXNPFEDSA-N	404.426	3.738	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(F)c1	4114722	HMPCZKBDXOYXEK-HXUWFJFHSA-N	406.417	3.663	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(OC)c1OC	59473366	MVCLKJYLXJALIW-OVMKCGGTSA-N	408.907	3.997	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	83316984	YAQFEMMOZGHRPB-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)c(Cl)c4)[C@H]3[C@H]1CC2	108268851	CRZZFQSJDRYLJT-HAFFEQERSA-N	410.308	3.880	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1ccccc1	409053910	DLUHNCYACBHPAC-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	409314099	KEIKHKGGZVOBPF-SFHVURJKSA-N	423.563	3.797	50	40	HHGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1cccnc1	1445281	IBKREOIXHBWKQM-FSJBWODESA-N	424.254	3.827	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(Cl)cc1	2352271	SEADRCHJRLSWJB-SRZZPIQSSA-N	415.906	3.566	50	40	HHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NCc2ccc3c(c2)OCO3)cc1	4045363	JIRAYRXQHIYYSN-BRJLIKDPSA-N	417.421	3.520	50	40	HHGB	
NNC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1	73638298	OWRPNMTVGPRSJX-DUXPYHPUSA-N	404.033	3.614	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OC	408748715	BUVLBQOHWGMAOZ-MFKUBSTISA-N	424.884	3.743	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(Cl)cc1	4156982	LALIOYDWYONTID-FIQHERPVSA-N	421.516	3.766	50	40	HHGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3cccc(F)c3)cc2)cc1	5505826	GNNDXQUQDGMNAA-AWNIVKPZSA-N	415.424	3.604	50	40	HHGB	
CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)COc1ccc2ccccc2c1Br	8398651	PANUOGQLZUFNGB-PFMQXPBUSA-N	421.291	3.672	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)=O	13387967	BSJUJGBJRDAZDX-NTUHNPAUSA-N	415.789	3.728	50	40	HHGB	
CCOC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(CCCl)cc1	57993232	VLMWSIGACGBADA-UHFFFAOYSA-N	409.935	3.530	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	58913392	SSYAKDGXYAMAOJ-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COc1ccc2c(c1)/C(=N\NC(=O)COc1ccc(C3CCCCC3)cc1)C(=O)N2	59472617	NBHBMNFSOWSUDI-UHFFFAOYSA-N	407.470	3.594	50	40	HHGB	
C[C@@H](O/N=C/c1ccc(Br)cc1)C(=O)N/N=C\c1c[nH]c2ccccc12	71376871	ABTNASOJILFWIN-CDEQKXBOSA-N	413.275	3.820	50	40	HHGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@@]31C(=O)Nc2ccccc21	104766208	BROGNJARQIJXMD-XMMPIXPASA-N	413.433	3.549	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)o1	408588787	JRLOGTJGDHREPD-SGCYSOCQSA-N	400.438	3.624	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c(F)c1	408968344	VRVFSZBOHBSMNE-LGJNPRDNSA-N	417.396	3.738	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409226031	RKUSDWSZVNTFGG-WUXMJOGZSA-N	423.778	3.769	50	40	HHGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)cc2OC)cc1	409363048	JEAJBVFQTXWJCK-MTJSOVHGSA-N	405.292	3.722	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(=O)OC)cc2)c(C#N)c1C	408546024	CNDZJOITEWBUEJ-CXUHLZMHSA-N	422.462	3.610	50	40	HHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)c1	409006215	HYZAERXDTAMUPY-PCLIKHOPSA-N	401.466	3.705	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1	409188489	ZTEQNCRKXKUSAI-MFKUBSTISA-N	404.466	3.863	50	40	HHGB	
O=C(O)Cn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21	409202736	UKUZMTOJCBAXKU-ZVBGSRNCSA-N	401.875	3.622	50	40	HHGB	
COc1ccc(CNc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1	4106438	IZIRHZUIKKNIGZ-AFUMVMLFSA-N	403.438	3.800	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(C)ccc2C)cc1	7727837	LDXJWFCTYPEGJZ-UHFFFAOYSA-N	400.525	3.964	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)c2ccccc12	10600401	GOMZYEPECQJBMH-UHFFFAOYSA-N	417.490	3.976	50	40	HHGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)C(=O)Nc1ccc(C)cc1	12447809	JANCZLWRXVIOFF-WYMPLXKRSA-N	421.284	3.761	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1C	15018832	PWTAKTRLSHJYKI-YDZHTSKRSA-N	423.494	3.847	50	40	HHGB	
COc1cccc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c1	33333559	STTQHZDCQVDFHP-VNAAUWNKSA-N	416.525	3.802	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)N1CCC(n2nnc3ccsc3c2=O)CC1	390831064	PJVYFHBHDNMYEW-AWEZNQCLSA-N	424.617	3.731	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1F	408812275	OHAALDFKHFBNKR-YHYXMXQVSA-N	406.167	3.748	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	19953140	WYOIYYRAYWTYIO-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(F)cc1	58823315	ZAVJDLBZJUNADB-ZVBGSRNCSA-N	410.243	3.568	50	40	HHGB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	96593045	YCLWXGYPDKTMHO-WCCCRJGXSA-N	407.514	3.568	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408948949	RTMFVGPJCAHPRI-FOKLQQMPSA-N	411.845	3.915	50	40	HHGB	
C[C@H](SS[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	1711772	XECVLZRXNQEVNJ-RYUDHWBXSA-N	412.492	3.652	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2369058	HZUKJMMSOVUKHP-UYPHOHSBSA-N	418.305	3.905	50	40	HHGB	
COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1OC	4474974	TZVLLGLEBXEERI-CIAFOILYSA-N	408.907	3.998	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1	5884361	LCZMLLLEFCSBFN-KRWDZBQOSA-N	403.398	3.602	50	40	HHGB	
COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc3c(c2)COC3)cc1	409133027	QDLPEFYOSGGBSF-UHFFFAOYSA-N	416.433	3.709	50	40	HHGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OC	409203632	WYOYWVZULXGDOY-WQRHYEAKSA-N	408.454	3.800	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)c(C#N)c1C	409357510	IPLHHLQJUDLAIV-KBKYJPHKSA-N	407.449	3.877	50	40	HHGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)c(C)c1	4156963	PDNFNPBSCGHJEP-WUHRBBMRSA-N	415.125	3.730	50	40	HHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1	4953727	CQQACRNWPDAXOT-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926169	AKPFFELHRHMCSC-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	59249897	AIODOXYXQZKTDG-UDWIEESQSA-N	413.231	3.912	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(OCC)c2)cc1	408762351	AQKIBEWALOIXLK-LDADJPATSA-N	422.437	3.733	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409250460	MEYSCGMTVPMUSB-VRVUXBDFSA-N	409.795	3.862	50	40	HHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409363225	VCIOJNZQFAUJME-UFWORHAWSA-N	411.643	3.573	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1OC	3083946	USXAEPXFXVFKGB-WSDLNYQXSA-N	403.866	3.535	50	40	HHGB	
Cc1nc(CC(=O)N/N=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cs1	3412993	XQQKWAJETQAIBZ-UFFVCSGVSA-N	414.418	3.984	50	40	HHGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccccc3)[C@H]12	8735676	KVUHSMIOTHUGRJ-RBSFLKMASA-N	412.448	3.859	50	40	HHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NNC(=O)c1ccco1	9884178	JWZANJAVOWXXNE-UHFFFAOYSA-N	422.441	3.582	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Oc1nc(Cl)ncc1F	32109566	GYMMRZPMCYDZRQ-RMORIDSASA-N	400.797	3.834	50	40	HHGB	
CC(C)c1c(C(=O)NNC(=O)c2ccccc2F)cnn1-c1cccc(Cl)c1	32795321	HPMHINAPDQGUJG-UHFFFAOYSA-N	400.841	3.863	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	33793925	ZLVPIXJZORZOJX-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
N#C/C(=C/c1ccc(Br)s1)C(=O)N1CCN(c2ccccc2)CC1	96562777	BQHTZLJKVLGGRS-OWBHPGMISA-N	402.317	3.766	50	40	HHGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccs1	1475165	WEBVYEVUWMNOFQ-GIDUJCDVSA-N	404.083	3.743	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc(OC)c1O	3285839	GZRLBTMNMOUIPL-WYMPLXKRSA-N	411.433	3.720	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	5673036	TVNMKWOJSULHBJ-KPOBHBOGSA-N	422.319	3.961	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1O	30738587	QIVXEFNXRXCNPD-WWNXGUCMSA-N	411.458	3.860	50	40	HHGB	
CN1C(=C(C#N)C(=O)COC(=O)C2(c3ccc(F)cc3)CCC2)N(C)c2ccccc21	32752767	SCYWQDAOWIIDSI-UHFFFAOYSA-N	419.456	3.681	50	40	HHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCCC2)o1	408853623	VHSLNMRXNZVULU-ODLFYWEKSA-N	407.268	3.807	50	40	HHGB	
CC1=C(C(=O)OCCCl)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1	4113688	QOYVYNZSSWRDFL-IBGZPJMESA-N	400.862	3.676	50	40	HHGB	
C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)COc1ccc(Cl)cc1Cl	4474012	QLKDSBPPFVLSPJ-FYJGNVAPSA-N	402.322	3.900	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC)cc1OC	6355495	KJEFQSQEGLDKCR-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc(Br)cc1	9906202	SZRJCBLMQBFAKF-WZUFQYTHSA-N	416.187	3.632	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OC	408885429	ZSWJFODZSCNJDD-VXLYETTFSA-N	409.305	3.709	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)O)c1C	409215571	BKWKQHNSHVGYRL-ZMOGYAJESA-N	405.454	3.873	50	40	HHGB	
COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccccc1O	799086	DMTDAYGSJBMKSW-WWJLXRQJSA-N	423.340	3.879	50	40	HHGB	
COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)c(OC)c1	2172602	AIRKOCWUHPLTJO-MDASCCDHSA-N	410.308	3.801	50	40	HHGB	
CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)cc1	4544203	SYZBELUTPADUHI-SSDVNMTOSA-N	408.483	3.798	50	40	HHGB	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	28437893	OZBVAJWJIVZIRV-UHFFFAOYSA-N	418.478	3.581	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)cc1	35110182	RWWACWYWNCQIGP-QUWSGOTNSA-N	411.914	3.821	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1	408792113	IBFKFZMKHGCQTD-LFIBNONCSA-N	409.829	3.965	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1	409007836	ZLYSWKSKMHRRPD-OAKZWBAKSA-N	401.466	3.593	50	40	HHGB	
CCCCCCc1cc2cc(C(=N)NNC(=O)c3ccccc3)c(=O)oc2cc1O	1877549	GTVQKXYDUWZHBD-UHFFFAOYSA-N	407.470	3.881	50	40	HHGB	biogenic
CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Br)cc2)cc1	3101347	UQRUELFVHUTVRB-FYJGNVAPSA-N	402.292	3.881	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1O	4505279	QIVXEFNXRXCNPD-AWLIUGMOSA-N	411.458	3.860	50	40	HHGB	
CCOc1cc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC	5474971	USYWTFQXWHGCJE-HYARGMPZSA-N	415.446	3.945	50	40	HHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1N1CCCCC1	19096924	KIPZUWUTELGBSU-OAQYLSRUSA-N	418.497	3.788	50	40	HHGB	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)cc1	40139775	FUDSZXYCVKWZGE-GZTJUZNOSA-N	419.872	3.773	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCc1cccc(C(=O)O)c1	59249569	LFGCLFCTUWLCGK-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1	223165927	BLDPEHITPWVYIQ-UYRXBGFRSA-N	421.497	3.782	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	408934384	CKTPLCGERVBBMM-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
CC(C)(C)c1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	408997652	NVQJJBPXQIDOCG-SRZZPIQSSA-N	418.291	3.541	50	40	HHGB	
O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1ccc(Cl)cc1	409227209	UJODHEFLSFSHEJ-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1O	409363906	ONQYMIUMTUMXRW-MTJSOVHGSA-N	405.292	3.809	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccc(Cl)cc1	657834	IHBCSMHSFZLUJU-DNTJNYDQSA-N	412.671	3.692	50	40	HHGB	
COc1cc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)ccc1OCc1ccccc1	2758915	XNFJZUKQJGAVKK-MFKUBSTISA-N	420.465	3.768	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)CCl)cc3)s2)cc1	9062300	PIAPKLKEKURIQF-UHFFFAOYSA-N	402.863	3.643	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1	19682578	HITQPMUMZHTSPR-YZSQISJMSA-N	406.574	3.560	50	40	HHGB	
CCc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	102635507	VSINYAVFVVQOIZ-LPWJVIDDSA-N	415.125	3.675	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc([N+](=O)[O-])c1O	6844709	DPVUWKHPNSIFJI-WSDLNYQXSA-N	409.398	3.625	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	110446595	KHIXQMPERSJUQY-LSHDLFTRSA-N	408.801	3.512	50	40	HHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	1106796	OTVDTGYSAKEREL-WYMPLXKRSA-N	401.344	3.958	50	40	HHGB	
N#C/C(=C\c1ccc(-n2cncn2)c(F)c1)C(=O)Nc1ccccc1Br	44028532	PNQWTTZIXBDUHY-NTUHNPAUSA-N	412.222	3.715	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC[C@H]1CCCO1	2247912	UXWODVQNIBTBKL-XETPBLJFSA-N	400.818	3.500	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1)CO2	4523707	VFPRKZBCBZVPBG-NZGCTONISA-N	409.442	3.848	50	40	HHGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409190062	VLUADEDDEDAZJI-ZROIWOOFSA-N	405.292	3.988	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(OC(F)(F)F)cc1	20086105	RJABGLQZWGTKOG-INIZCTEOSA-N	413.355	3.655	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1OC	6735645	OMTUMMBWPNRQSW-KEBDBYFISA-N	415.427	3.599	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1	16437498	RJGJXMBQYJHZEJ-BUDOKORBSA-N	410.445	3.615	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)c1	17087351	AJMCEKZDSRZQRJ-ULJHMMPZSA-N	406.486	3.719	50	40	HHGB	
COc1cc(Cl)c(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	17150164	UDMVSCUJRVJKCR-MYYYXRDXSA-N	424.884	3.743	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1	32923329	QUIXLPCUDIIPMH-SAHIIKMKSA-N	401.466	3.593	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c1	58913379	PIRJIAHCVDNQTC-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	59148735	AJVVSIMDLVSEPF-YDZHTSKRSA-N	419.393	3.636	50	40	HHGB	
CCS(=O)(=O)[C@H](I)C(=O)c1ccc(-c2ccccc2)cc1	96517947	ZPPMRNPLFJJBRE-INIZCTEOSA-N	414.264	3.732	50	40	HHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(F)cc1	408786026	FHPUVTPHVVJJNN-QFEZKATASA-N	408.477	3.828	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccccc3C(=O)O)cc2)n1	3276447	KUQKJXGJWPDAMU-FSJBWODESA-N	420.494	3.848	50	40	HHGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccccc1C(F)(F)F	4075818	ZCKHPHWNYUIJRN-QNTZHHCXSA-N	421.463	3.877	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Cl)cc1	4424890	UXCVQORUDOOSHZ-QUWSGOTNSA-N	411.914	3.821	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2oc3c(c12)CCCC3)c1cc(=O)[nH]c2ccccc12	9335058	GOWBRTMAMIAVPY-WYMPLXKRSA-N	401.422	3.623	50	40	HHGB	
CC(/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1	97441312	GYDBKUDNGYQFAA-SEBDCFKDSA-N	410.949	3.663	50	40	HHGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NCCCc1ccccc1	408586246	MSXYHGAXOMHVNX-UHFFFAOYSA-N	419.550	3.861	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1	408740302	AYKHIHZHPPGPPC-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(C)c2)cc1	408786990	ZDWGVZUEZVPOCP-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408859002	UYEUWHQDNGSKPD-GRSHGNNSSA-N	420.206	3.810	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1OC	408895689	VNWBFYXXRYNFDM-YDZHTSKRSA-N	412.877	3.544	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408913821	UHGYCMPLSNHOKA-ORWNMUSCSA-N	408.285	3.801	50	40	HHGB	
COc1ccc(/C(C)=N/OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1OC	12559957	LPLKYYRWWJMGTN-DLSPDUQLSA-N	409.467	3.966	50	40	HHGB	
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1I	12633117	XQUVVSZOVBUHNA-VLGSPTGOSA-N	422.247	3.946	50	40	HHGB	
O=C(N/N=C\c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	31871368	HOVJSLVQBXFGGS-MXYCIJPUSA-N	424.096	3.879	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccccc1	59426575	QQHSTCMKNVMVGR-LFVJCYFKSA-N	412.486	3.658	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCC	169886765	WPDRQMSEYOVPPC-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C	408528373	HLNZIVUDQQESPE-YDZHTSKRSA-N	406.442	3.840	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)c1	408692104	DNOSFYQCSFPBID-LGJNPRDNSA-N	422.460	3.582	50	40	HHGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)OCCCO1	408718972	CSUSCSGVJXDPQX-OEAKJJBVSA-N	402.878	3.912	50	40	HHGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)c1	409225618	QAOOTPJJIOEZST-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
CN(C)c1cccc(C(=O)NNC(=O)CCCSc2nc3ccccc3s2)c1	3349181	TUOCDLSOWGATLL-UHFFFAOYSA-N	414.556	3.696	50	40	HHGB	
O=C(Cc1cn2ccsc2n1)N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21	5268504	ZBRCWVNQOXWRIW-AYBPGSHHSA-N	402.479	3.983	50	40	HHGB	
CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)C(C#N)=C3C)o2)ccc1Cl	18029258	WJDZZRSELRBXOP-ZROIWOOFSA-N	410.813	3.657	50	40	HHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408807115	KHHVCSUURLGSNS-RIYRZUHRSA-N	402.292	3.953	50	40	HHGB	
COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409376673	CLAJKXADYCXQKQ-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
N#C/C(=C\c1cc2cc3c4c(c2oc1=O)CCCN4CCC3)C(=O)NC1CCCCC1	4817098	RWBPMIMIOWDDQU-XMHGGMMESA-N	417.509	3.848	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1	12275419	SZEQYJIJDDKFIU-XMSQKQJNSA-N	410.470	3.868	50	40	HHGB	
COc1cc(/C=C(\C#N)c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC	13615067	YAHYXGYWQZTBQS-LFYBBSHMSA-N	415.358	3.602	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	14920099	UDXGLSLWADRMLH-REZTVBANSA-N	416.069	3.642	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	58884648	PJIYYIBKDGSAMG-AUEPDCJTSA-N	413.783	3.846	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)[C@@H]13)[C@H]2Br	138201270	DYSCSQPCWOKWTG-ZNOWBECESA-N	405.075	3.503	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	408936379	HYKKGVFFAAZQIX-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	408943605	UDNUWXFRUYOUQV-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	409001982	LIFRYUQRJZNINF-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3ccccc3O)c3ccccc32)o1	409391952	KMPWRGOYUPIYRC-MSXFZWOLSA-N	417.421	3.539	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OC(C)=O	867460	DAAHBPYGESIQCB-RIYZIHGNSA-N	413.361	3.604	50	40	HHGB	
CSc1nc(NNC(=O)COc2ccccc2)c2c3c(sc2n1)CCCC3	2350917	PACPYUBILODXTL-UHFFFAOYSA-N	400.529	3.814	50	40	HHGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(N2CCCC2=O)cc1	2626568	VIYKURNCFYFEFT-UHFFFAOYSA-N	413.886	3.756	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1	4117187	FEJJFJUKPGYIDI-OAQYLSRUSA-N	416.437	3.908	50	40	HHGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1	12374253	HMUQGPMEMVWSNS-UHFFFAOYSA-N	412.493	3.588	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1	33685301	PLDYJKWHZOJETQ-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1	409219965	WWXNVVBZVYMFBR-AWNIVKPZSA-N	404.253	3.712	50	40	HHGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccc(C)cc3)sc2c1	674900	VQPMSXFYKLDHCE-UHFFFAOYSA-N	404.875	3.712	50	40	HHGB	
O=C(CCCC(=O)N/N=C/c1ccccc1Cl)N/N=C/c1ccccc1Cl	5583402	MVUGBTCJOLGFMC-FWSOMWAYSA-N	405.285	3.764	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])c(C)c1	12468456	LGMNKWQNPQZRHW-WYMPLXKRSA-N	420.425	3.650	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	58912523	LDAIECOVRDPYJC-FSJBWODESA-N	421.328	3.864	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1	58912758	VFFKXYXKYJAGFR-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
C=CCc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(OCC)c1O	59302652	JYUSYPBJJZCSSP-AFUMVMLFSA-N	405.454	3.597	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1O	72042014	VJIUJRXVVVJEDT-PWDRSIHYSA-N	401.260	3.948	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cc(C)cc(C)c2)cc1	408790629	SYKMINOTQCAJAN-UHFFFAOYSA-N	413.543	3.853	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OCC)c1OCc1ccc(F)cc1	409244134	YIAPQFANRWYINF-WQRHYEAKSA-N	423.444	3.634	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	409249284	NCKHJVQBWKYRSZ-QFEZKATASA-N	406.413	3.796	50	40	HHGB	
CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1	2213916	DOYCITCUOKIDJS-LOKSUBMMSA-N	405.523	3.941	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nc2ccccc21	4033900	OVXZTDAJWBEPDI-UCQKPKSFSA-N	412.515	3.706	50	40	HHGB	
CCOc1cc(/C=N/NC(C)=O)ccc1OCCOCCOc1ccc(C)c(C)c1	4512493	ZPPGKQRBENVRIB-LFVJCYFKSA-N	414.502	3.647	50	40	HHGB	
Cc1ccc(C)c(Sc2ncccc2C(=O)NNC(=O)Cc2ccc(F)cc2)c1	12772957	UESUPOBSNDTTBG-UHFFFAOYSA-N	409.486	3.992	50	40	HHGB	
C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)C(C#N)=C3C)o2)ccc1Cl	13479810	IHNUNBMIRZNLFC-GDNBJRDFSA-N	422.824	3.823	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c1	33701939	WSWKYOHESKTRKY-SSDVNMTOSA-N	406.866	3.917	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl	34689665	WQQQUCUBKRZKMX-NHDPSOOVSA-N	406.225	3.606	50	40	HHGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1Br	100289126	JHJUMTNSRPXMFV-CIAFOILYSA-N	404.264	3.592	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)O	408806779	BSLPVMANZZRRRV-QPEQYQDCSA-N	418.808	3.887	50	40	HHGB	
COc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	2284115	YIXVOAXUOSUJQN-YDZHTSKRSA-N	406.442	3.957	50	40	HHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	4893165	UBOXSVKBQHEPFE-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
Cn1c(/C(C#N)=C/c2c(N3CCCCC3)nc3ccccn3c2=O)nc2ccccc21	5024129	JAIZVDKDRDCFDM-BMRADRMJSA-N	410.481	3.636	50	40	HHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1cccc(Br)c1	5317770	HBGWUAMEJKLGCE-CIAFOILYSA-N	417.332	3.968	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	9262043	FSRUISAHEWYTPP-HYARGMPZSA-N	420.381	3.988	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1	58914561	PDXXXHVUNUGEGQ-NHDPSOOVSA-N	412.789	3.597	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)c1	408587756	HBBBLFRKUYZPLU-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1C	409259848	GNWBRKVSBVBLBP-FVWOBLMASA-N	403.404	3.825	50	40	HHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	722439	GDDITZCEZGXSPG-UHFFFAOYSA-N	419.319	3.895	50	40	HHGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	409355386	BSIDYVXMJXZQPV-FSJBWODESA-N	419.393	3.666	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(OC)c1O	9425394	PSEIKHJIVCUFKM-ZTFCMROMSA-N	423.494	3.896	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2	408895629	NTCCFGNPKLEGAA-NYYWCZLTSA-N	401.762	3.531	50	40	HHGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCCCC3)cc2OC)cc1	409244591	FYUHKORDURZWFS-HAHDFKILSA-N	413.543	3.937	50	40	HHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1C	5508740	STAMIGKEYQIAKE-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	694855	ARLMLHAEYBXXRI-UFFVCSGVSA-N	418.240	3.910	50	40	HHGB	
N#CC1=C(N)C2=CCCC[C@H]2[C@@H](c2ccc(OC(=O)C(F)(F)F)cc2)C1(C#N)C#N	5729316	LQADSWHAFUBVEH-RHSMWYFYSA-N	412.371	3.748	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)cc1	12413341	HBHIAQBLAMXUJL-SANMLTNESA-N	424.504	3.969	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C1=O	18322338	XVSLXJPKSFYHHM-ZDEQEGDKSA-N	415.125	3.730	50	40	HHGB	
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNc1c(F)c(F)nc(F)c1F	31491313	LFBDHHCTCZRJDJ-UHFFFAOYSA-N	414.359	3.890	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1Cl	59960339	BYKANNGXZVIWAR-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21	408711768	JPOPHSYDHBULCB-MFKUBSTISA-N	421.497	3.604	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)Nc1ccccc1Cl	408774483	LQGXRQMZDHAPKH-WYMPLXKRSA-N	408.845	3.516	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1F	408968609	AGLOEESJYFQPAH-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1	881403	RZYDDNSMWFXYIE-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1	12275468	RFOKVWUUYIKRAQ-XMSQKQJNSA-N	410.470	3.868	50	40	HHGB	
COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)c1	12276191	DDPVNYXVKAMKQW-UZUQRXQVSA-N	422.506	3.655	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1	5884363	LCZMLLLEFCSBFN-QGZVFWFLSA-N	403.398	3.602	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OC	408965857	JFJHNVRWIOYUOS-LSHDLFTRSA-N	420.238	3.631	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)cc1	223150563	HBRFJBYYSWFFSW-NHDPSOOVSA-N	412.789	3.597	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1	15018751	HONQSRSWUSJYSC-FBHDLOMBSA-N	413.773	3.970	50	40	HHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1	1472119	RGILNCPBKVVYGM-JOCHJYFZSA-N	413.477	3.626	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1OCC	6155379	XWBLAVKNIMWGRQ-YDZHTSKRSA-N	416.861	3.532	50	40	HHGB	
N#C/C(=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccccc1	8845923	KLLWNSSZKLLNGP-CYVLTUHYSA-N	421.444	3.666	50	40	HHGB	
Cc1ccc(C(=O)c2cc3c(cc2NC(=O)[C@@H](C)Br)OCCO3)cc1	9584579	MKLIFYYXSQYXIH-GFCCVEGCSA-N	404.260	3.719	50	40	HHGB	
O=[N+]([O-])c1cc(Br)c(CBr)cc1I	97447206	DGUYVCMWYUKUGB-UHFFFAOYSA-N	420.826	3.857	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	107765135	SUDGXTONXOCNJO-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)c(C)c1	408879893	HQFJZCLCWUSTAR-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409225528	PHNPOBMRURRXJT-VZUCSPMQSA-N	408.216	3.542	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OC	409382233	QGHBYEZFAPVXOE-AUWJEWJLSA-N	404.264	3.562	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)cc1	2081142	GNZPWHGQAJIVED-HADWXUJASA-N	403.276	3.932	50	40	HHGB	
CCOc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O	3077042	XYHMOFYYEIYQSI-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
N#CC(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)=C1Nc2ccccc2N1	3321005	BWGUUNZBYOKVRQ-UHFFFAOYSA-N	403.225	3.574	50	40	HHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	4555267	CSRCVGNSDQWZRO-QAPCUYQASA-N	403.837	3.602	50	40	HHGB	
COc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc(Br)c1O	4587387	SWUFMBUDFLQTKU-UFFVCSGVSA-N	407.308	3.830	50	40	HHGB	
O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	20522356	ZNTURVSDTODQGH-BUVRLJJBSA-N	402.454	3.747	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)n1	20986631	OYCMYEIHTNNMPM-YDZHTSKRSA-N	406.511	3.915	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)cc1	33606903	QWMJTCXLBHTNSS-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
COc1ccc(C(=O)C(Br)C(=O)c2ccc(OC)c(OC)c2)cc1OC	100802033	NQLFCELQPKLXPG-UHFFFAOYSA-N	423.259	3.550	50	40	HHGB	
CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(CO[Si](C)(C)C(C)(C)C)cc21	196474065	ODOHAMNDMKPTTJ-UHFFFAOYSA-N	405.376	3.626	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	408944855	VVRWCYGVDXPRHR-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	3359684	RRZRFIUGQOQPEM-FMIVXFBMSA-N	417.437	3.873	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1	6293858	BIURXVYOYOIVKZ-CIAFOILYSA-N	416.275	3.736	50	40	HHGB	
C#CCOc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1	8201644	QQTVKCYERMAZGX-SFQUDFHCSA-N	402.269	3.799	50	40	HHGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)c1	12276892	ZETLNNIVQLSASW-KRWDZBQOSA-N	422.466	3.614	50	40	HHGB	
CC(C)c1ccccc1-n1ccnc1SCC(=O)NNC(=O)c1ccc(F)cc1	21437189	TZYFEOBSKVIIHV-UHFFFAOYSA-N	412.490	3.688	50	40	HHGB	
COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1	108935182	RADKFZHTIIRAAP-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1C	408969480	OIVYOKJUHUVNLB-BIKZULFDSA-N	402.498	3.730	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1	409301277	DQNRLXBKBSMAPM-QGZVFWFLSA-N	407.495	3.714	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)s1	714269	TVYCFCSISLDZLY-CYBMUJFWSA-N	401.241	3.835	50	40	HHGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	3067918	BZWMNPTWNKHGQA-CIAFOILYSA-N	418.291	3.586	50	40	HHGB	
O=C(NNC(=S)NCCc1ccccc1)c1cc(-c2ccco2)nc2ccccc12	3389385	JEOARESLPDTURR-UHFFFAOYSA-N	416.506	3.846	50	40	HHGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNc1ccccc1	5376024	FGQVFWUVMHDSFT-FOWTUZBSSA-N	401.488	3.560	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1O	6034624	IWTMCLQRXPFUJK-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2o1	6393558	YAHVNXKQTKMVKW-NXVVXOECSA-N	408.483	3.979	50	40	HHGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1	6455732	PJFCKYABOLAYAV-WMLDXEAASA-N	415.584	3.881	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(SCc3cscn3)cc2)cc1	12760329	VGPXQKRDKBKZIU-UHFFFAOYSA-N	413.524	3.584	50	40	HHGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	13388009	PRHBMUIZTIEFOZ-YRNVUSSQSA-N	417.175	3.811	50	40	HHGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\C=C\c1ccccc1	16771391	SZPQYUFVARALBO-HWFVTPCDSA-N	414.490	3.940	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1	800414	SXKHNZWMERDTNZ-FQEVSTJZSA-N	406.417	3.663	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O	408787054	QCSZWWGCWWZESA-CJLVFECKSA-N	421.950	3.539	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I	408798645	WJFNKWNTJFQPEW-XYOKQWHBSA-N	420.206	3.551	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCC#N)c(C#N)c1C	408546017	CIOBQNRLAPISKC-MHWRWJLKSA-N	419.462	3.726	50	40	HHGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1	225502309	POGVOUFDWKRGQJ-UHFFFAOYSA-N	417.874	3.537	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	803664	LDJMOHBVFLELDJ-VWNXMTODSA-N	423.520	3.984	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OCC)c2)C(C#N)=C(N)O3)cc1	806373	PCGIZHLQPYXSDV-LJQANCHMSA-N	418.453	3.798	50	40	HHGB	
Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)c1	4944754	QPBXIYKGTABCMI-RUZDIDTESA-N	410.477	3.715	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OC(C)C	8336645	GELLNKMVKOMNRA-ZVBGSRNCSA-N	422.938	3.785	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)n1	9373425	OESLBGISSVBWCF-FOKLQQMPSA-N	420.494	3.878	50	40	HHGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1c2ccccc2Oc2ccccc21	13007414	OUIDXBIZQDNMES-AWEZNQCLSA-N	406.413	3.678	50	40	HHGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1	40139727	ULLDLFXTMLBDNC-OQLLNIDSSA-N	409.398	3.699	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1	59101771	XKGSHLLVCOOJMY-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)NC1CCCCC1	408817342	VPEQWSPCNCDEBZ-XDJHFCHBSA-N	409.530	3.870	50	40	HHGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(Cl)cc1Cl	408996589	QFEBJYPXAHQNSE-OMCISZLKSA-N	409.010	3.955	50	40	HHGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4Br)ncnc32)cc1	1244412	WPYPXPQEWUVYJI-UHFFFAOYSA-N	423.274	3.643	50	40	HHGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1OCC	1254235	UIVTZSRAGURIEX-GOSISDBHSA-N	404.422	3.809	50	40	HHGB	
O=C(N/N=C/c1c(Sc2ccccc2)nc2ccccn2c1=O)c1ccccc1	1504351	KNZTZUARMNKAOW-HZHRSRAPSA-N	400.463	3.610	50	40	HHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NC[C@H]1CCCO1	6209753	TVBINMWLLVXBLG-APEZIOSESA-N	404.495	3.803	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)c1	9015348	ZSFQEMYAPJLOKR-KRWDZBQOSA-N	411.458	3.545	50	40	HHGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C[C@H](C)c1ccccc1	12816251	IDFGPLUJBDXVCS-KBPBESRZSA-N	405.292	3.558	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218149	AICLCWJWNUAWLK-AFUMVMLFSA-N	416.868	3.862	50	40	HHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1c(C)nn(C(C)(C)C)c1C	40143211	TXHRVSGONMJFEI-UHFFFAOYSA-N	420.941	3.837	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc3ccccc23)cc1OC	101904074	RTXUONQIOLICQW-MFKUBSTISA-N	405.454	3.992	50	40	HHGB	
N#CC(C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)=C1Nc2ccccc2N1	102413147	FVNSVOHAYKLVJH-CFYSCFQDSA-N	411.889	3.949	50	40	HHGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c(OC)cc1Cl	408833348	JLAOHEHIDNDKSH-NTUHNPAUSA-N	402.834	3.920	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1	409004266	BQJRFCAXMZABDR-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC	985613	JOCRHAHRWPJMCG-IBGZPJMESA-N	418.453	3.629	50	40	HHGB	
Cc1cccc(C(O)(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(C)c2)c1	1435807	LXHVOKNMRZERGK-BUVRLJJBSA-N	403.438	3.598	50	40	HHGB	
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N/N=C/C=C\c2ccccc2)cc1	4907075	UTZSDIJYYVFIJX-FTTDUGMUSA-N	415.449	3.875	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1	6453546	JQHKRRLKCQRTBG-KEBDBYFISA-N	415.427	3.599	50	40	HHGB	
CCCOc1c(Cl)cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC	12552921	PXQWBOPFANJUGF-UHFFFAOYSA-N	415.877	3.704	50	40	HHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccccc2)n[nH]1	102977840	BGPHDSUJUPABGT-WEMUOSSPSA-N	421.460	3.758	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2o1	1308763	HETCIHBEUZPVFD-DJKKODMXSA-N	420.288	3.841	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O	2422937	PGJMDTQDMMAMFN-SDNWHVSQSA-N	409.829	3.919	50	40	HHGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1O	4724401	IFWNMNZLUPXWAZ-SRZZPIQSSA-N	405.292	3.981	50	40	HHGB	
COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3cc4ccccc4cc3O)cc2c1	4728992	MWENCYDQOKABCH-ZMOGYAJESA-N	402.406	3.814	50	40	HHGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	6325322	GDOVWWKZVOIGGR-HMMYKYKNSA-N	407.514	3.816	50	40	HHGB	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1	6548481	IZQBNEQJZDZRGW-HMMYKYKNSA-N	404.470	3.851	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-]	20238180	NGJUZMJKUJGDNL-QGZVFWFLSA-N	406.467	3.810	50	40	HHGB	
COc1cccc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c1	34720037	STTQHZDCQVDFHP-GGIMQYPNSA-N	416.525	3.802	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)cc([N+](=O)[O-])c1O	36188431	WBEGZKMXZLMPTJ-OFJBCHTGSA-N	415.446	3.742	50	40	HHGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1	108207436	UFYAQTJBXPBBHH-KAMYIIQDSA-N	417.250	3.903	50	40	HHGB	
CC(=O)Oc1cc(OC(C)=O)c([N+](=O)[O-])cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O	408740660	CXGIWLMLBSUJRV-CAOOACKPSA-N	423.377	3.735	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408767429	XKQXKEIWSBCPBX-ZMOGYAJESA-N	416.393	3.932	50	40	HHGB	
O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	409227229	YFTMZMBTEIJOCQ-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409382544	SSKFAMYKFBTVEC-ZVHZXABRSA-N	410.474	3.546	50	40	HHGB	
CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(CCl)CCl)cc1	1085163	CNDIZXLFOQVLEW-SJORKVTESA-N	400.302	3.996	50	40	HHGB	
Cn1c(-c2ccccc2)c(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c2ccccc21	4903476	FVIRTCZODXZZQY-GHRIWEEISA-N	408.465	3.552	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	5661510	MYDTXBATEPZRLQ-FSJBWODESA-N	412.829	4.000	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C	6608876	MSXAAZAXVOPXNL-WYMPLXKRSA-N	419.441	3.777	50	40	HHGB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)c3cccs3)c2n1	6786000	ROFJIGSCAWVNEA-UHFFFAOYSA-N	410.282	3.752	50	40	HHGB	
CCOC(=O)[C@H](C)/C(C)=N\NC(=O)COc1ccc2ccccc2c1Br	8398654	PANUOGQLZUFNGB-WJSMNSIRSA-N	421.291	3.672	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cccc(Cl)c3Cl)CC2)cc1	19682567	UUDDHKOTLFWDMG-ZMOGYAJESA-N	419.356	3.570	50	40	HHGB	
CC(/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)=C\c1ccccc1	19682715	RTKWUGJBKPIKNR-VOHHWRIISA-N	410.949	3.663	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1O	20248145	YVYHRIYUMQSZCK-DJKKODMXSA-N	409.305	3.547	50	40	HHGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCOCC2)cc1	38538452	YFGHHZQOCPYCGP-ITYLOYPMSA-N	415.493	3.719	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc3c2CCCC3)cc1OC	100522873	QNFURMMDSYCLTJ-MFKUBSTISA-N	409.486	3.717	50	40	HHGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)c1	408543453	RGAPFYSWMOEFTQ-VULFUBBASA-N	412.449	3.635	50	40	HHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC	408880983	LACYNADMZIPKDN-XDHOZWIPSA-N	422.481	3.891	50	40	HHGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O	2419045	XYXWOIREZYMISD-JQIJEIRASA-N	416.481	3.827	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1C	4494233	HSOZDSDBOPKZIE-LSHDLFTRSA-N	424.541	3.987	50	40	HHGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(I)cc1	108208023	JAFARUCVRAYQFF-XFXZXTDPSA-N	419.178	3.745	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1Cl	408970147	BQLJHXDCKFUNTN-ZMOGYAJESA-N	414.937	3.955	50	40	HHGB	
Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	675031151	XIQQBTVSLGTFDQ-WBAXXEDZSA-N	415.349	3.859	50	40	HHGB	
CCN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	5903798	ODWPNWVXGWXZOZ-LULRDMADSA-N	409.489	3.880	50	40	HHGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1	6477699	IIZFHGVPHIZVKA-GOSISDBHSA-N	407.495	3.714	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	11990410	GPOQRFANTLNKMR-RIYZIHGNSA-N	400.774	3.937	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	59038381	NLEWIHMVBVNTQW-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
O=C1OC(=O)c2ccccc2/C1=N\Nc1ccc(Br)cc1Br	100926770	OQRYYEDXQVFWKH-CPNJWEJPSA-N	424.048	3.725	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1	101087995	VQHJKWLUGLXNLT-ROTLSHHCSA-N	416.506	3.892	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1	108227497	QEJMLCBOCDNSFA-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OCC)N2C(=N1)SC(C#N)=C2N	408602176	AXULVBGLPIYTEY-SFHVURJKSA-N	412.515	3.813	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408610981	PFMITNYGENCAMK-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CN(C(=O)c2ccccc2)c2ccccc2C)c1	3162624	KCPILTCIORXTPL-PCLIKHOPSA-N	401.466	3.801	50	40	HHGB	
O=C(N/N=C/c1ccccc1I)c1ccc2ccccc2n1	3374269	GKBLKBHHVLLEMW-YBFXNURJSA-N	401.207	3.603	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)o1	6332710	ASPMPNPZAANCAY-DHRITJCHSA-N	405.454	3.912	50	40	HHGB	
O=C(CCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21	12957689	YDEPGJKLWUQNLS-FXBPSFAMSA-N	422.224	3.671	50	40	HHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	16137112	GBPYJULZOFZCMQ-ZVHZXABRSA-N	420.425	3.891	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)o1	33645566	XSJNRGWBBMIQIL-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1O	208466601	SMOZKFREUAKZOX-WQLSENKSSA-N	420.206	3.551	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC	408970358	GSFNEMKQPZIZEE-SSDVNMTOSA-N	422.268	3.656	50	40	HHGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	720240	NDUJULUDIVQTHT-HXUWFJFHSA-N	421.403	3.998	50	40	HHGB	
O=C(CCCOc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1	2638788	AQEURWPHUNUGTM-UHFFFAOYSA-N	411.683	3.723	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(Br)c1O	3526663	KKWYLCNHHCEAMK-UFFVCSGVSA-N	415.243	3.786	50	40	HHGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1	4599443	GLGACBUDUHHDPR-WSDLNYQXSA-N	402.838	3.620	50	40	HHGB	
CO[C@H](C(=O)N/N=C(\C)c1ccc(I)cc1)c1ccccc1	4714689	PHJMIZOAJPMVRR-QUYZQLMHSA-N	408.239	3.519	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)[C@@H](C(=O)O)C1	5044977	KEWQRFGHPIAGLB-OLZOCXBDSA-N	406.891	3.763	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2CN(CCc3ccccc3)CC=C12	5409268	HSNXXDMYLKCHJV-RBBKRZOGSA-N	411.534	3.716	50	40	HHGB	
ClCCc1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2	5875490	FEUVFIASDADNBT-UHFFFAOYSA-N	422.905	3.730	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1	5917280	QIDPBPOWCRAAEF-GHXNOFRVSA-N	403.232	3.718	50	40	HHGB	
NNC(=O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	226342181	CFJVYJWQFQPYQW-UHFFFAOYSA-N	401.663	3.743	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CCc2ccccc2)c1C	408589192	KXWCAOPAXNCFIC-PCLIKHOPSA-N	403.482	3.964	50	40	HHGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	408895610	NNHQTXAIAOSCCN-KEBDBYFISA-N	407.264	3.547	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2	409198714	KBGPKVMWCSANBJ-LICLKQGHSA-N	416.389	3.597	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)o1	409366795	YJWHALFHTLSWBY-YDZHTSKRSA-N	421.409	3.627	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1OC	1481055	PCHDHTNTJZUXDU-OPAMFIHVSA-N	402.450	3.912	50	40	HHGB	
Cc1cc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[nH]n1	4952965	QYUWDSWLDDIWFW-QYQHSDTDSA-N	409.449	3.552	50	40	HHGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1O)c1ccncc1	6251825	UYIZJOGTLBKHTE-FSJBWODESA-N	410.817	3.704	50	40	HHGB	
CN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21	9144574	HYBCHDKKKWQFHS-HIXSDJFHSA-N	422.282	3.642	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118600	HYUSOUPNWCLQPF-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	16216502	VUAPCSBHCXBBLY-FUHIMQAGSA-N	414.387	3.884	50	40	HHGB	
COc1ccc(OC)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1	83314768	MFRBHBFXTMWRHD-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OCC	408528965	YHDGHACRUHSGTI-CIAFOILYSA-N	421.291	3.776	50	40	HHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408982141	GFKNISMUQSNFKS-OQLLNIDSSA-N	414.845	3.755	50	40	HHGB	
N#CC1=C(N)Sc2cc(N)ccc2[C@@H]1c1ccccc1I	2350338	RDWCERWRXSACSM-HNNXBMFYSA-N	405.264	3.805	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N32)cc1	12275952	YZAZATUTKDUVJD-WMZHIEFXSA-N	422.506	3.737	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	16790925	GVRLXWDQJFAJJZ-JXAWBTAJSA-N	404.445	3.738	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1Cl	58912060	KCXWICGAXRSAEK-CVKSISIWSA-N	422.916	3.557	50	40	HHGB	
Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)o1	408974510	ASBLSIJFKVIHHZ-FSJBWODESA-N	420.860	3.712	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1Br	1475173	WMSPFGMNJKIZJN-DJKKODMXSA-N	419.304	3.576	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1OCC	4499518	MVTXKOCEKDQWOC-LPYMAVHISA-N	403.866	3.616	50	40	HHGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	4550445	RLNBJSXRYXCAGA-MFKUBSTISA-N	417.465	3.794	50	40	HHGB	
CCOc1cc(Br)cc(/C=N\NC(=O)COc2ccc(C)cc2C)c1O	13955318	DWRAZSLTJZVOEN-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
COc1cc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)ccc1O	20238038	UMKTTYDNFNYLPR-KRWDZBQOSA-N	407.495	3.616	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	59427251	JQUYZWRBRLIXIF-CIAFOILYSA-N	407.386	3.674	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)OC	408787687	DTHNCQFFRWJIBC-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)ccc21	408885027	ZRXQHJTYAGMAJX-KPKJPENVSA-N	401.253	3.729	50	40	HHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc(Cl)cc1	840414	QCCPWXAWWUDNHB-JTQLQIEISA-N	401.677	3.804	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)C1	4651554	OFKBFRUITMTUQP-ZWKOTPCHSA-N	420.465	3.519	50	40	HHGB	
Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)c1	4944755	QPBXIYKGTABCMI-VWLOTQADSA-N	410.477	3.715	50	40	HHGB	
O=C(N/N=C\c1cc(O)c(Br)cc1Br)c1ccc(F)cc1	10059593	OWFCAHUXDBSVFR-WSVATBPTSA-N	416.044	3.820	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	58884848	SSGLNRXTDREMEF-PCLIKHOPSA-N	417.465	3.753	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c1	107716219	XVERIHOPFCJGMZ-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OC	408887417	OEBRUVAKBRXUGH-AWQFTUOYSA-N	405.863	3.741	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1O	408903826	AABMXYJBKGDEBF-LSCVHKIXSA-N	423.223	3.536	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(Br)c1	4410096	VNWKGIACLIZUAG-LPYMAVHISA-N	418.291	3.901	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)/C=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c(C)o1	7988159	OBBUDRGNFFWDRS-VMPITWQZSA-N	421.453	3.507	50	40	HHGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccc2c(c1)OCO2	9138181	JRXQUWREDIABEF-LSFURLLWSA-N	417.252	3.980	50	40	HHGB	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12	12555181	FAUAAWWCNYPCHV-UHFFFAOYSA-N	413.543	3.716	50	40	HHGB	
CC/C(C)=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1	58925372	FUNWQWXDHBJESB-RCCKNPSSSA-N	407.923	3.746	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c1O[C@@H](C)C(=O)O	409236151	DMRNIULRRIKJNX-ZOCVZFIWSA-N	416.817	3.711	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)ccc1O	814503	NRPXFILPPVNPTR-OAQYLSRUSA-N	416.481	3.737	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1	6355277	BDVQZWIBBRBPEJ-MAUKXSAKSA-N	413.543	3.558	50	40	HHGB	
Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c(C)c1C	7380443	QUTKZCMKTRCCAF-UHFFFAOYSA-N	400.500	3.907	50	40	HHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	9590803	MCTUSAOKJRXFPH-IEBWSBKVSA-N	417.864	3.598	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33751282	BLOBFUFKHKSIOZ-WYMPLXKRSA-N	422.510	3.892	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	408586943	DEOQSXCOYDCBON-YDZHTSKRSA-N	422.441	3.783	50	40	HHGB	
N#C/C(C(=O)Nc1ccccc1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	5243519	MFMLZQHIRFSDBX-MRCUWXFGSA-N	410.408	3.889	50	40	HHGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC(C)(C)N1	5851828	GAGYRXAMCCECTP-QTJFZDIUSA-N	413.400	3.571	50	40	HHGB	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1	7387878	RRADSUVGIBOAAT-OAHLLOKOSA-N	420.531	3.619	50	40	HHGB	
COc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)c(OC)c1	20100948	CGQVHXQTBWUUKN-FBHDLOMBSA-N	421.291	3.612	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912502	FYXNSFWGKDBWGA-FSJBWODESA-N	421.328	3.864	50	40	HHGB	
CC1=NN(C2=N[C@@H]3CC[C@@H](Br)[C@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	105339421	VVEWGYNQQNSCFR-ZKLCJDPPSA-N	406.309	3.754	50	40	HHGB	
O=C(N/N=C/c1ccccc1I)c1ccc(N2CCCC2)cc1	408676572	KQFDCNRUMQBELR-DEDYPNTBSA-N	419.266	3.655	50	40	HHGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	714327	KTKGFCURVQXYKP-SFHVURJKSA-N	407.817	3.961	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2C)c1	13425310	VUELNJKZMDEKEC-ODLFYWEKSA-N	403.438	3.697	50	40	HHGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(COCC(F)(F)C(F)F)cc1	33291636	OFPGDZWIOXSLTJ-GYRAYZOKSA-N	412.339	3.596	50	40	HHGB	
Cc1c(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)oc2c1C(=O)CCC2	89568170	ILLUESJXCZXNMZ-UHFFFAOYSA-N	400.500	3.902	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	102065912	XVSLXJPKSFYHHM-NDBYEHHHSA-N	415.125	3.730	50	40	HHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1	408891039	KFCZJYSKHQUVEK-HYARGMPZSA-N	414.870	3.872	50	40	HHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	409216301	GTPUTMHZPWZXMV-CNHKJKLMSA-N	400.243	3.850	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)c1	409391833	LTFYNZANGOUXFM-YDZHTSKRSA-N	408.410	3.601	50	40	HHGB	
CCc1nc(NNC(=O)C(Cl)(Cl)Cl)c2c3c(sc2n1)COC(C)(C)C3	2221721	ZWEDNVMLRDRAOU-UHFFFAOYSA-N	423.753	3.918	50	40	HHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cccc(Cl)c1	3113482	LYKNLXLRRGXHBV-CVKSISIWSA-N	405.885	3.738	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1C#N	4211335	BBJLRPGRQVSMRX-RGVLZGJSSA-N	413.433	3.962	50	40	HHGB	
O=C(CCCc1ccc(O)cc1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	6241854	VUKPORLSAVAULC-YBFXNURJSA-N	406.236	3.536	50	40	HHGB	
Cc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)cc1	6476400	LNOPGGJEQFDQBK-IBGZPJMESA-N	405.523	3.692	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	7385189	BDUAEMPHCAFHOL-BUVRLJJBSA-N	411.889	3.725	50	40	HHGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cs2)cc1	13011656	WLXDIDDWXIMNII-UHFFFAOYSA-N	409.467	3.737	50	40	HHGB	
C/C(=N/NC(=O)c1cc(C)nc2c1c(C)nn2C)c1cc(Br)cs1	17083332	MYOFDEYAQUSXRZ-OCKHKDLRSA-N	406.309	3.563	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)cc1	33957739	WJGNQLSURZPUOA-ZVHZXABRSA-N	422.437	3.904	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc([N+](=O)[O-])c1O	36206887	OZVYHZBHWFAFFC-VZUCSPMQSA-N	418.203	3.617	50	40	HHGB	
CC1(C)[C@]2(C(=O)O)CC[C@]1(C(Br)Br)[C@@H]2Br	169795881	KLQXPQPDNRXJMU-MPWNKIQUSA-N	404.924	3.757	50	40	HHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1	408788326	DTHGVELMWLPJEC-BUVRLJJBSA-N	423.538	3.880	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1	409011284	FXLIXIUFMGPGQK-SRZZPIQSSA-N	413.275	3.734	50	40	HHGB	
COc1cccc(/C=N\NC(=O)c2cccs2)c1OCc1ccc(C(=O)O)cc1	409186911	JKIBMZXSXULHFP-UUYOSTAYSA-N	410.451	3.798	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OC	409253566	ZURFRMIWWIWZCD-NHDPSOOVSA-N	409.255	3.688	50	40	HHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1	1775817	OQPLOXLIYUZLEA-QGOAFFKASA-N	409.438	3.848	50	40	HHGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502636	GBBWRGKLTRMWPP-QGZVFWFLSA-N	417.259	3.780	50	40	HHGB	
O=C(CSc1nc(-c2ccc(F)cc2)cs1)NNC(=O)c1ccc(F)cc1	6943662	NGBAAPOUISHUMR-UHFFFAOYSA-N	405.451	3.642	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1	9958966	HZWLTMHBLDIIDG-NTUHNPAUSA-N	420.252	3.794	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1O	30902097	LUYWTHGLWRWZBJ-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1	408708644	RWXQZWUTYVNFMH-ZVHZXABRSA-N	416.909	3.849	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCC	408728382	KSFMSQTZLCNBFO-SRZZPIQSSA-N	406.280	3.593	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	408773586	RNGMNCAIZCLFKO-XQNSMLJCSA-N	419.522	3.868	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(F)cc2)cc1	408790083	NGNCFJOXMIZEGF-UHFFFAOYSA-N	417.506	3.766	50	40	HHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	408863178	KVNPPUCORADQBJ-UHFFFAOYSA-N	417.506	3.847	50	40	HHGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	408977135	VLMJNVIJKXLAEJ-QAYGKXGKSA-N	423.419	3.691	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(N3CCCC3)cc2OC)c1	409106940	PFFUMHIXROGPAW-BOPFTXTBSA-N	407.470	3.858	50	40	HHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)n1	5042802	KHACSUUZCFHEAX-GOSISDBHSA-N	414.494	3.804	50	40	HHGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC	6047724	DQAIIERMKKMMCK-HYARGMPZSA-N	415.446	3.945	50	40	HHGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	9885444	PMDORKAWANVWAT-UHFFFAOYSA-N	412.493	3.656	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1	12275422	SZEQYJIJDDKFIU-AVRDEDQJSA-N	410.470	3.868	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1	14134505	SDOMIVFFFAMASF-VULFUBBASA-N	413.433	3.559	50	40	HHGB	
C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C(F)(F)F)cc1	17091304	QVBYGCZKGLOSOU-WNFQYIGGSA-N	418.169	3.697	50	40	HHGB	
COC(=O)c1occc1/C=C(\C#N)c1nc(O)c2cc(Br)ccc2n1	40083248	XORMTNUVCXYUIK-UXBLZVDNSA-N	400.188	3.542	50	40	HHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59515595	RFHRLZVIEQZIFL-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
C/C(=N/NC(=O)CNc1ccc(I)cc1)c1cc(C)ccc1C	408591116	RMBYCRAKONBWAJ-STZFKDTASA-N	421.282	3.860	50	40	HHGB	
CC/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2	408720103	SBLULISOBMWTNW-HEHNFIMWSA-N	415.471	3.530	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1C	409007870	QXCUJYYGYCLTEE-CPNJWEJPSA-N	419.485	3.509	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)c1	409253851	CCCOVZAEUIIKKB-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	4953712	FFDUSTYPCPAVDM-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408795328	MBLNMSRKNJIJCI-GXDHUFHOSA-N	415.243	3.547	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409181905	GPTAUULPTPUNOU-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2=O)cc1	409255469	ZYCZTPCORONHNF-YTRQYYDFSA-N	420.296	3.895	50	40	HHGB	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1	851750	MYSAUDHDRGYIRR-UHFFFAOYSA-N	412.405	3.885	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1O	2301305	DJDZDPWKJJTCKP-SFQUDFHCSA-N	411.889	3.700	50	40	HHGB	
COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N	8973273	WEKDILQHRJEKSH-QGZVFWFLSA-N	408.479	3.510	50	40	HHGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1	100048464	AVSMXZKFHCFOPM-CIAFOILYSA-N	404.264	3.592	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C	408587864	HNJLTHHKUFACIJ-AFUMVMLFSA-N	404.470	3.617	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408608724	IJTAULUHSYQLMT-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408745471	SPPCBEQJDBSORV-DEQJRXDXSA-N	423.270	3.876	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC)c(OC)c1Br	408750096	XIXJLLZZJNHYFM-KEBDBYFISA-N	407.264	3.547	50	40	HHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccco1	408752252	HBPAVWHPMYFMAH-HZHRSRAPSA-N	420.446	3.964	50	40	HHGB	
O=C(N/N=C/c1ccsc1)c1cc(Br)c(O)c(Br)c1	408996538	PWYONKWUDOFLJG-PJQLUOCWSA-N	404.083	3.743	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)c1	5720301	CXRNZJDBDVASPJ-LPYMAVHISA-N	409.467	3.782	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	13922225	LIINKCZSFIBWTN-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1O	72042013	VJIUJRXVVVJEDT-IYVNWDGISA-N	401.260	3.948	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408750751	RHWBNCKAJWACCW-NLRVBDNBSA-N	416.477	3.646	50	40	HHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)cc1	409007505	WZJMGNOMSGQJFW-YZSQISJMSA-N	415.493	3.851	50	40	HHGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)COc3cccc4cccnc34)c2c1	409014988	RCGVJZPYGKFVTG-VULFUBBASA-N	415.449	3.934	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc(OC)c1OC	1095755	OAZXFZAIZYXQEK-LZCVXGSNSA-N	407.470	3.816	50	40	HHGB	
COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)c1	3167131	PRXBJHJFZRBIQP-STPJHCLOSA-N	420.465	3.897	50	40	HHGB	
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408681065	DYSCSQPCWOKWTG-BOKPKCGUSA-N	405.075	3.503	50	40	HHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1	409200227	QZAQLGXIXDWIJH-XQNSMLJCSA-N	410.495	3.907	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2=O)cc1	409271183	KGQORTQOHSEQDR-HKNSOBRKSA-N	420.296	3.895	50	40	HHGB	
Cc1[nH]nc2c1[C@](c1cc(CO)cc(-c3ccccc3)c1)(C(C)C)C(C#N)=C(N)O2	1357109285	VVVOFJZXKJKHTD-DEOSSOPVSA-N	400.482	3.906	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)ccc21	3199712	ZZQAKTNTPGHMAI-UHFFFAOYSA-N	405.380	3.850	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	4402161	RDCWSLKFXKRPLM-YDZHTSKRSA-N	403.866	3.800	50	40	HHGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	13471533	YZNVIFHBOJGBEE-FYYLOGMGSA-N	409.493	3.594	50	40	HHGB	
Cc1ccsc1[C@@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19816514	MNCYGFULLNDXMG-SFTDATJTSA-N	411.534	3.982	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	58914521	DKIVQCKBPSHIBX-UUYOSTAYSA-N	406.398	3.560	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1	408724330	BNVRPDVEMZEQGV-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br	408802977	JVBJWQGWEQEYPF-SFQUDFHCSA-N	410.271	3.617	50	40	HHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1	408880051	IKEJYYBUGCRURX-LPYMAVHISA-N	400.500	3.650	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1[N+](=O)[O-]	20760429	QKANOZKJMLYSBX-YBFXNURJSA-N	406.236	3.910	50	40	HHGB	
CCCC(=O)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1	3768077	IEALOYMJNJAJNK-UHFFFAOYSA-N	410.883	3.843	50	40	HHGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(I)o2)cc1	408569188	ZJOPBWYVBDGXHT-YBFXNURJSA-N	410.255	3.875	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)c1	409247039	AVYNCLDJROCUDT-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@H]2C1	33352787	LDJMOHBVFLELDJ-UPVQGACJSA-N	423.520	3.984	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c(Br)c1	3140104	KUKISXGGHKAOHF-SRZZPIQSSA-N	404.308	3.661	50	40	HHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21	18272126	GBVBBQXVTPXLFS-WLRTZDKTSA-N	403.398	3.621	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	59101745	PLDDLWDXHVTDTP-PCLIKHOPSA-N	417.465	3.753	50	40	HHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)c1	4205413	CXENLPOAMCFCFY-OBGWFSINSA-N	414.465	3.715	50	40	HHGB	
CC(C)(C)C(=O)N/N=C(\CNC(=O)c1ccccc1Br)c1ccccc1	18191619	VDJUXBJMJWTMNO-HAVVHWLPSA-N	416.319	3.746	50	40	HHGB	
O=C(CSc1cccc2cccnc12)NNC(=O)Cc1c(F)cccc1Cl	6510409	CGDDYGLNKKIUJV-UHFFFAOYSA-N	403.866	3.510	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	409207625	YZBSLBUUVMQAOV-JHXRPTDYSA-N	401.426	3.760	50	40	HHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)c1	409149218	ZEMHJHQSRHHGQP-WGOQTCKBSA-N	420.488	3.834	50	40	HHGB	
CCn1c(NNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)nc2ccccc2c1=O	40080106	LGYKVHNKZNDBDS-UHFFFAOYSA-N	415.497	3.924	50	40	HHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)c1	2211335	LCDTXTXCRJZRFY-SAPNQHFASA-N	414.465	3.761	50	40	HHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1I	3255392	WSPBJPVJFUAWLA-KPKJPENVSA-N	418.190	3.566	50	40	HHGB	
OCCN(/N=C(/CBr)c1ccccc1)C(=S)NCCC1=CCCCC1	4280779	ODIYRTVCCQQNSQ-PYCFMQQDSA-N	424.408	3.845	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccc(C(=O)O)cc1	107815366	IBPMHISXEHOSBW-AUWJEWJLSA-N	402.200	3.675	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3)c2C)c1	408586048	AZVHVNJMWBLUIO-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408856710	DESYAFNMCQCTTJ-QGMBQPNBSA-N	408.823	3.540	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C)c(OC)c1	959359	RWKMJAQDQBRFAP-WOJGMQOQSA-N	409.438	3.767	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C	2150237	QDUQFNCLLSVNFQ-ZNZDAUKMSA-N	408.292	3.571	50	40	HHGB	biogenic
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3ccccc3c2)cc1	4416606	KZRNMRNNBKTLNN-JVWAILMASA-N	416.481	3.862	50	40	HHGB	
O=C(N/N=C/c1cc(Cc2ccccc2)cc(Br)c1O)c1ccncc1	6252276	SQIPEAAHQQSTAV-YDZHTSKRSA-N	410.271	3.904	50	40	HHGB	
N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl	6393370	HUUPWBSWLGQFIP-GHXNOFRVSA-N	413.264	3.979	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)cc1	35110172	QRYTXDAUFAGDDS-RWZYYMRUSA-N	411.914	3.821	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2ncnc(N)c12	408974002	UGHJQHXFAYTTTR-KBKYJPHKSA-N	417.494	3.925	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1C	409383373	WWLZFSFAJBTZLK-MOSHPQCFSA-N	416.481	3.976	50	40	HHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	1022723	OCAQWKFCGSXYQO-AFUMVMLFSA-N	406.413	3.882	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2C)c2ccccc12	4663069	LGWLSCYOWKOBPU-XDJHFCHBSA-N	403.482	3.698	50	40	HHGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(N)cc1	6235699	RJBAXZHYMJYJGA-AUEPDCJTSA-N	402.285	3.893	50	40	HHGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1	408708806	TTZZREBHBUIFKV-LSHDLFTRSA-N	405.285	3.774	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1	408740973	FYIZODMXLMKISP-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cccnc1	408791041	VFUBVBLOKNNWQY-DZJVXFLMSA-N	407.481	3.697	50	40	HHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408807108	KHHVCSUURLGSNS-MMVIWPHWSA-N	402.292	3.953	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1F	408969265	KHIUPPGOSRYRAB-MMDHUZEPSA-N	406.461	3.561	50	40	HHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1	409310142	QXXWXKYUSQKQRN-QGZVFWFLSA-N	423.450	3.653	50	40	HHGB	
CC[C@@H](C)N1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC1=S	5033264	YTRFUPJVVWKJTJ-MLDYKZIASA-N	405.951	3.944	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3cnc4ccccc43)o2)cc1	6831028	KGBCVHWHKKBCEN-DHRITJCHSA-N	416.437	3.623	50	40	HHGB	
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccc(Cl)cc1	13141706	STLRACTWQNJJDS-UHFFFAOYSA-N	424.840	3.750	50	40	HHGB	
O=C(N/N=C/c1ccccc1I)c1cc2ccccc2cc1O	13965298	QEVMFBMFKYPBNK-RGVLZGJSSA-N	416.218	3.914	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1	59426518	WWPPEXVHNWEIKE-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1OC	989070	QSFXHVZBCJAONA-FQEVSTJZSA-N	402.454	3.725	50	40	HHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)cc1OC	12276122	BIASQGKGQRKGEX-GAJHUEQPSA-N	422.506	3.655	50	40	HHGB	
O=C(CCCC(=O)N/N=C\c1cccc(Cl)c1)N/N=C\c1cccc(Cl)c1	31670098	SRZDURLEHFQXCO-YFBGDSSHSA-N	405.285	3.764	50	40	HHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc3c(c2)OCO3)sc2ccccc12	942112	KYWMOTSGGBNYNB-UFFVCSGVSA-N	411.439	3.962	50	40	HHGB	
CCOC(=O)C1=C(C)NC(Sc2ncccn2)=C(C=O)[C@@H]1c1ccc(Cl)cc1	1403387	PKYGQSWGFRANDZ-KRWDZBQOSA-N	415.902	3.857	50	40	HHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC	2375464	KOIQDNWXIKPCCR-XSFVSMFZSA-N	413.477	3.844	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1[N+](=O)[O-]	4833408	CKZIOGKHJIAUAY-HXUWFJFHSA-N	417.425	3.624	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c(C#N)c1C	408545967	AUXOYJJXYCTBPR-OVCLIPMQSA-N	424.478	3.841	50	40	HHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(C)n(C)c2ccccc12)c1ccccc1	409001629	JSHLNKSETRLPQU-FBTHGLLTSA-N	406.486	3.814	50	40	HHGB	
CCN(CC)c1ccc(C=C(C#N)C#N)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409063191	IIMBSWCPWRZQMJ-UHFFFAOYSA-N	419.441	3.889	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2[N+](=O)[O-])c1	1054189	UKMPGHSMZORHCU-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
CCN1/C(=C(\C#N)c2nc(C#N)c(C#N)nc2N2CCCCCC2)Nc2ccccc21	12412107	AUOKQUQUFIQDIM-CJLVFECKSA-N	410.485	3.745	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	59116439	FXRVEZRFKQPRIR-LFMVTYOGSA-N	410.857	3.882	50	40	HHGB	
OC[C@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	103536625	QNSKRAWBTXYONG-DMTCNVIQSA-N	404.010	3.641	50	40	HHGB	
CCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O	136458919	NNSVXLVWKQCUCD-UHFFFAOYSA-N	415.534	3.926	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	408746176	XZOQBLYQFRHUFT-PDGQHHTCSA-N	408.454	3.881	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OCC(=O)O	408849924	BBIDEKWOGVPXDW-FMCGGJTJSA-N	411.458	3.660	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Br)s2)c(OC)c1	408869889	SLJDPWFPVBEHMD-KPKJPENVSA-N	407.289	3.751	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1	973101	DYYIEVGZZCDRFV-UDWIEESQSA-N	413.231	3.912	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1429081	BAZFGKVUZOVCBE-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
O=C(N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1	4512208	OFIRHTXDXFIUMM-XQNSMLJCSA-N	405.410	3.817	50	40	HHGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCc1ccco1	6221995	FACSGJUZEGZCNQ-LDADJPATSA-N	403.394	3.990	50	40	HHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1cc2c(s1)CCC2	9364119	SEZXAUZTAGLFPT-UHFFFAOYSA-N	422.506	3.656	50	40	HHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1	12274951	LRZLHWPYWVHUQM-LAUBAEHRSA-N	412.898	3.992	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	409161247	LJDYZIVDQYPHDR-FSJBWODESA-N	412.829	4.000	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409201533	MAVPVVVVWUJKSW-LPYMAVHISA-N	402.903	3.993	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(C)c2C)c(OC)c1	2888138	DSFKQEMMFYBSRL-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)c2cccc3ccccc23)c(Br)c1	5927161	KREBBSNWJREOEQ-UHFFFAOYSA-N	413.271	3.751	50	40	HHGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)ccc1O	6746272	FSYLLJGALVMABV-KRWDZBQOSA-N	407.495	3.929	50	40	HHGB	
CCCOc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC	32923287	BSUZUOIUNWSBLU-XKZIYDEJSA-N	403.866	3.616	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1C	59515550	DSZWAFBWZHJJNO-AWQFTUOYSA-N	424.682	3.508	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1	107537526	SIWUGUZHMFJNQP-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N32)cc1	12275950	YZAZATUTKDUVJD-CVDCTZTESA-N	422.506	3.737	50	40	HHGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	2177540	DEOZHXQOCWQKJC-MZJWZYIUSA-N	419.456	3.593	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)c1	408728457	MROHWYGZTNPCPN-ZMOGYAJESA-N	420.421	3.545	50	40	HHGB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408603166	DQVZBZITTAKFSZ-MRXNPFEDSA-N	400.529	3.745	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2Cl)cc1	408775478	HNQFSFDGVCPQAL-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1OC	5720726	GQCIPJOVGWBXBE-LPYMAVHISA-N	409.467	3.782	50	40	HHGB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	1772631	JXFHYSTXXYUYJZ-WOJGMQOQSA-N	406.438	3.929	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)[C@H](C(=O)O)C1	4651552	OFKBFRUITMTUQP-QZTJIDSGSA-N	420.465	3.519	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccccc1	5464495	PEVPHJGDPSKXIY-AJPHYDNBSA-N	404.466	3.848	50	40	HHGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)Nc1ccc(C)cc1	14923250	XIFNAYYKGUMZAD-WYMPLXKRSA-N	421.284	3.761	50	40	HHGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1	408543985	UFWDZZOJSOCZEA-PDGQHHTCSA-N	405.454	3.929	50	40	HHGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408774397	ZYRBVWIOMGRLAE-QRVIBDJDSA-N	422.441	3.540	50	40	HHGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccc([N+](=O)[O-])c1	409062976	DUOJRJPYXNKOBD-LSFURLLWSA-N	415.768	3.734	50	40	HHGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)ccc1O	1048178	FUWKUQSNKMQJOG-KEBDBYFISA-N	400.232	3.882	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1O	3081364	USKGETMFJJIWIQ-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCNC(=O)c3ccccc3)c2C)cc1	3205357	CRUXOPCYNVMOSX-WGOQTCKBSA-N	402.498	3.673	50	40	HHGB	
Cc1nc(COc2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)cs1	10736962	RUYLTYJMNWNOAP-UHFFFAOYSA-N	420.494	3.597	50	40	HHGB	
Cc1ccc(NNC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)cc1Cl	12934171	PXWPBQQBASJEKC-NSHDSACASA-N	410.699	3.673	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1O	20248936	LTWWRZLQORTTPL-KEBDBYFISA-N	423.332	3.937	50	40	HHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(C)nc3)cc2)cc1	30803090	ULVIMLRSOYXVSG-CAZFVLSDSA-N	415.449	3.781	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc2c1OCO2	35362595	QDAQSHRMGNMTNH-AWNIVKPZSA-N	407.451	3.782	50	40	HHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	40129499	YGAQYFLPRVPYCC-HOTGVXAUSA-N	423.444	3.589	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1CCN(Cc2ccc(Cl)cc2)CC1	4482443	GEBXMPBBACXYAP-RGVLZGJSSA-N	406.895	3.672	50	40	HHGB	
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCBr)cc1	5489868	WKSWMHGSAREQRB-KRWDZBQOSA-N	416.271	3.668	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OC	6580288	TXNFLJNXUTYNFZ-MHWRWJLKSA-N	415.287	3.732	50	40	HHGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C(O)=N1	9088856	IVWHWCQKBPMUGP-HOTGVXAUSA-N	422.890	3.604	50	40	HHGB	
Cc1ccc(C)c(Sc2ncccc2C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	25466227	JGORHJSAUYPFNJ-UHFFFAOYSA-N	420.538	3.990	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc(Br)c1O	28217646	DVVGZOBWAPIDGO-AWQFTUOYSA-N	423.332	3.855	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(OC)c1	33688075	VTFZGJZHMNLSPN-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(OCC)cc1	408711999	UTDAXRSOYSTLSN-HMAPJEAMSA-N	415.287	3.553	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	20197613	WUWBXAFKYMVEAH-KEBDBYFISA-N	405.248	3.731	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)C(C)(C)C	20059199	FEVFTUMIBRFLFX-CJLVFECKSA-N	401.532	3.805	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O	958232	VNCQROOZJPAXCD-AUEPDCJTSA-N	422.535	3.954	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1888645	DEYLFPDQJWHXDB-IMGOXIFKSA-N	415.877	3.651	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)cc2O)cc1	408742851	CFGNCRSXNQERCI-GHXNOFRVSA-N	403.232	3.805	50	40	HHGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(O)cc1	409083726	VVHZFVIFGVYDFW-LGMDPLHJSA-N	420.446	3.706	50	40	HHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1NC(=O)c1ccccc1	409216754	LEOHEWLHYJLSMV-CFRMEGHHSA-N	424.888	3.671	50	40	HHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1	408608098	GKQXIEJTEUTLCU-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl	409104788	FLDPSRSASUXSQA-GOSISDBHSA-N	415.232	3.952	50	40	HHGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1	2100988	ZTHSZUBNTLBFPJ-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
O=C(CCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)NCc1ccccc1	3112471	LYIPXYSIVBAPEO-OVVQPSECSA-N	415.493	3.812	50	40	HHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(I)o1	3091742	DYAZTMGQGMCNLK-KEBDBYFISA-N	419.222	3.600	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	10059326	IIPQGVIHBISKRI-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
CN1C(=C(C#N)C(=O)CSc2ccc3c(c2)OCCCO3)N(C)c2ccccc21	25592168	RTWZSUWRYSHSIH-UHFFFAOYSA-N	407.495	3.830	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(OC)c1	27563572	LLLDTJKJLVNONX-TYUKPDHWSA-N	406.413	3.662	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)cc1	35128197	APGOTVBQRHIJOB-ZVHZXABRSA-N	422.437	3.904	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2)cc1	58882723	YSOJCSSKYXIZCX-XYGWBWBKSA-N	401.466	3.705	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1Cl	59516247	OOEQHSOJUSFKPY-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	107902633	HYLOLDMAKSXJIG-UUYOSTAYSA-N	407.382	3.554	50	40	HHGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(I)c1	408790973	UWYHYNZPFRWSQX-WOJGMQOQSA-N	423.210	3.662	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408882816	OEMNFZBQULHCRQ-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	409156333	FGYLMZVRAMUDFH-QZLJHNFXSA-N	413.477	3.769	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	409224704	NGQUECCKAIIOFW-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
C=CCOc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1	2081210	AFZCVACTUFQYPC-CNRHGSOZSA-N	403.276	3.932	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1C	2399482	MKHCXKVSKCFNQK-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
CCOC(=O)[C@@H](Br)CCCCCC[C@H](Br)C(=O)OCC	4899949	ODDKGDUYOMCJEH-RYUDHWBXSA-N	416.150	3.980	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(F)ccc2F)cc1	7727831	QXTZVZSTGDBFKY-UHFFFAOYSA-N	408.451	3.625	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	33397692	NZQJQWGAOPNTQZ-MYYYXRDXSA-N	414.421	3.738	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1	59302297	RBULAHUASDSUDV-RGVLZGJSSA-N	406.280	3.723	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Br	59435828	ICZZXSKJCZZENA-ZVBGSRNCSA-N	414.181	3.557	50	40	HHGB	
CN1C(=O)/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2cc(Br)ccc21	409118481	QMMMOPJFYBJRGY-PEZBUJJGSA-N	416.662	3.995	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1C	409375994	RVLDRRPYZFTOGB-XDHOZWIPSA-N	402.454	3.941	50	40	HHGB	
COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(C)cc3)c2)cc1	409376394	XVPBQHQGHZOOIN-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C1=O	4156921	XVSLXJPKSFYHHM-WUHRBBMRSA-N	415.125	3.730	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1	20764431	GLKMDZTUECYLRG-LPYMAVHISA-N	409.398	3.929	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59471508	XVVRFOCYKLYZEL-SRZZPIQSSA-N	421.438	3.974	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	100922299	WAFYXCYPTSBJPE-BRJLIKDPSA-N	423.391	3.857	50	40	HHGB	
O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1	408604286	HZFPZALJWUPTPN-GOSISDBHSA-N	419.456	3.901	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(Cl)c2)cc1	408771626	HSCNBAMMSCIRLK-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc2c(c1)OCO2	4616440	RWFOCLNFVCCTHM-SSDVNMTOSA-N	414.414	3.502	50	40	HHGB	
Cc1ccccc1NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	5705542	GXEFOKAROUYXMJ-COOPMVRXSA-N	412.493	3.517	50	40	HHGB	
CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1	8762190	PFCHHBPQWGONMO-UHFFFAOYSA-N	416.475	3.782	50	40	HHGB	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cccc(-c2nnco2)c1	95467406	UKXLWNQSQHXDLH-UHFFFAOYSA-N	408.414	3.679	50	40	HHGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)o2)cc1	409015766	FIGDDWDZFUIEKK-WSDLNYQXSA-N	406.423	3.969	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)c1	409272530	ZMZLQVDQVDFELC-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccc(OC)c(OC)c1	654824	KHIIBXPIZPBRHI-SVZNOHIVSA-N	420.307	3.807	50	40	HHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)s4)c32)cc1	718723	NSKLYFQNEZAPKD-AWEZNQCLSA-N	412.858	3.796	50	40	HHGB	
C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)CCCl)CC4)c23)C1	4218019	QWXLWVLSGYUOID-CYBMUJFWSA-N	418.994	3.971	50	40	HHGB	
CCCCN1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(=O)N=C1S	6240828	DMIPSUMMOOWAFN-SSZFMOIBSA-N	405.951	3.516	50	40	HHGB	
C[C@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2	9584625	PGWIDLXNZKPVPM-JTQLQIEISA-N	408.223	3.550	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OC	408777707	GOPROEGUERHZIJ-NVNXTCNLSA-N	411.414	3.945	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c(OC)c1OC	687108	WBECBYDSONJZAY-FSJBWODESA-N	400.475	3.673	50	40	HHGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc3c(c2)OCO3)cc(OCC)c1OCC	5474963	WUYRKGFTJQYIDD-OEAKJJBVSA-N	414.458	3.765	50	40	HHGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1	6222635	MMMBRGSXBMUNDW-WZGDJCGDSA-N	408.502	3.723	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)cc1	33587187	HZJLQCPBSDIOTD-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(F)cc2)[C@@H]3CCC1	57058863	SDQDKRNWQVXWFP-MNVTYAKESA-N	404.489	3.932	50	40	HHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	59443792	CBIAOFKPMYNXCF-UHFFFAOYSA-N	417.531	3.687	50	40	HHGB	
CC(C)=NNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1	408778346	DYMWRDHLSLOLKR-UHFFFAOYSA-N	407.923	3.664	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)c1C	408965770	ILRSVMFNUCBKAB-BRJLIKDPSA-N	405.385	3.816	50	40	HHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@H]32)c2ccccc21	664214	CCDUURLODCSMBE-AKQVGLANSA-N	411.509	3.683	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	2201298	QSOLFJXNEGSZHU-QGZVFWFLSA-N	410.430	3.953	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OC	5164079	SDPWFICIXZQEGR-FOKLQQMPSA-N	416.840	3.754	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	5330301	QIGMMBYMXURSOB-JTQLQIEISA-N	414.314	3.787	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1	5883910	RAQIPDWFTSXDRZ-GOSISDBHSA-N	417.425	3.992	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c2ccccc21	6246648	JXRYKRNQYDGBGR-AFUMVMLFSA-N	405.498	3.822	50	40	HHGB	
Cc1cc(C)n(CC(=O)N/N=C/c2cccc(NC(=O)c3ccccc3Cl)c2)n1	8513360	JQQGEBWOHQNBJY-FSJBWODESA-N	409.877	3.556	50	40	HHGB	
O=C(N/N=C/c1ccco1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247269	WPSIFAGSFNVLCQ-IGPUNGKJSA-N	405.479	3.818	50	40	HHGB	
CN1C(=C(C#N)C(=O)CSc2nnc(-c3ccc(F)cc3)o2)N(C)c2ccccc21	24718089	ZXLIHOOPJXNUBW-UHFFFAOYSA-N	421.457	3.858	50	40	HHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)N1CCOCC1	26966347	IGWDSVCZVYEHDO-NBVRZTHBSA-N	418.884	3.958	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC	33739998	CQFPECAPAXJPEB-LPYMAVHISA-N	423.450	3.984	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1I	111463560	JWONUSPHPNSLPS-OQLLNIDSSA-N	418.234	3.523	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408544191	SSWKWGMHLPLNBT-KPKJPENVSA-N	414.399	3.887	50	40	HHGB	
COc1cc(OC)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408856616	QPFXBSAIZARXKL-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
COc1cc2c(cc1/C=N/NC(=O)COc1ccc(-c3ccccc3)cc1)OCO2	409097565	OGFDZCKXZQLGES-ZMOGYAJESA-N	404.422	3.620	50	40	HHGB	
O=C(Cc1c[nH]c2ccccc12)NNCc1ccc(N(CCCl)CCCl)cc1	1692420	WKLAUOSMKVLKIR-UHFFFAOYSA-N	419.356	3.815	50	40	HHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N1CCCCC1	2405600	NZZLINNMMXIGAH-JQIJEIRASA-N	418.428	3.545	50	40	HHGB	
COc1cc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)ccc1C	23417378	PBUDPUAXIKJYRT-UHFFFAOYSA-N	410.495	3.902	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)cc1	408530108	LDHYQEDAJMOSTJ-MFKUBSTISA-N	419.481	3.800	50	40	HHGB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408602496	BUFNXPBWRXIIMQ-IBGZPJMESA-N	417.494	3.719	50	40	HHGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408870957	YBKOBIXQYZDWLF-WUXMJOGZSA-N	422.197	3.985	50	40	HHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409006277	INAZBJKMVDTGEL-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	6333667	PPYLLEKJVQUNFI-UHFFFAOYSA-N	404.466	3.576	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1	6562970	AAGYPUUFNBSSHR-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
COc1ccc(OC)c(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c1	1410851	RDJMXQHRQXTFRK-UHFFFAOYSA-N	421.522	3.854	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccccc2nc1N1CCCCC1	13115794	NKZNSQLOYGHODR-NRFANRHFSA-N	418.497	3.870	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408777354	ZAOPWYYYLHCCOF-OEAKJJBVSA-N	405.458	3.832	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)cc1Cl	408969216	JKXFWVQNCSFXJT-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cc(C)nc3ccc(Br)cc23)c1O	1033104	CUAGILPZBBQACL-UFFVCSGVSA-N	414.259	3.784	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccco1	1051884	CNIUYSXFPDJHOL-ZVHZXABRSA-N	422.437	3.735	50	40	HHGB	
CC1(C)[C@]2(C(=O)O)CC[C@@]1(C(Br)Br)[C@H]2Br	2451925	KLQXPQPDNRXJMU-ZVCUKBJDSA-N	404.924	3.757	50	40	HHGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)CCc1ccccc1	4700162	CYMSSRNTFFNZCW-UHFFFAOYSA-N	415.493	3.912	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	9465787	HEXAIYMAGHTQIC-UHFFFAOYSA-N	423.494	3.543	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cn1	9934432	JGQWCNDEDVZQPC-FOKLQQMPSA-N	410.361	3.694	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1O	18209543	MXXJZXGTYNYVGW-ZVBGSRNCSA-N	421.291	3.618	50	40	HHGB	
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1)C(=O)O	59302715	XTGZAFWAMHMJRU-GVIGZQTCSA-N	415.243	3.847	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	59433959	IVWDFKJHBYHFSC-MFKUBSTISA-N	417.465	3.671	50	40	HHGB	
NNC(=O)c1cn(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c2ccccc12	226768828	WSCGTDNLCVQQGU-UHFFFAOYSA-N	424.800	3.755	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409072092	BAEGUQFRWDSLJN-QGMBQPNBSA-N	412.627	3.783	50	40	HHGB	
Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)s1	1305717	PAYUNHJFMZZKPP-ZMOGYAJESA-N	417.494	3.545	50	40	HHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1	1775821	ZBUHHRNGMMBHIX-QGOAFFKASA-N	409.438	3.848	50	40	HHGB	
O=C(Cn1c(Br)nc(Cl)c1Cl)N/N=C/c1ccccc1Cl	2158615	DPGAKLQVICDZAG-YAXRCOADSA-N	410.486	3.756	50	40	HHGB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNc1ccccc1	5376101	WYXJXIHJQOWNGF-DQBOXZGESA-N	409.536	3.977	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	20238237	SSRWRTCHFBTACJ-SFHVURJKSA-N	406.467	3.810	50	40	HHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1	21898894	BQYAWWPDLNBZLE-UHFFFAOYSA-N	411.502	3.876	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	58900663	HYHAPVMZQNVNHK-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(Br)cc1	101057241	ODTNTKLJUHXAJG-SSDVNMTOSA-N	408.255	3.713	50	40	HHGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21	208207299	WTDNNCBKTAYDPX-VRHSPDTKSA-N	410.474	3.846	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1	408587660	GPQZOKWTDUDKRS-BRJLIKDPSA-N	404.470	3.693	50	40	HHGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1[N+](=O)[O-]	408747834	ULPSSCZNVLJODI-AUWJEWJLSA-N	416.231	3.589	50	40	HHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	1311406	SBNDMDZYCGAFQT-RXVVDRJESA-N	405.498	3.677	50	40	HHGB	
O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl	2100979	XBKXPTYIXYWWIC-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1OCC	3083937	LFTWXRLJBJZULC-PCLIKHOPSA-N	417.465	3.892	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1	12250367	YVEQFOLOYNCULA-KRWDZBQOSA-N	422.466	3.614	50	40	HHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	408952791	MVWBGZBRDUPBHL-HYARGMPZSA-N	423.498	3.694	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	1310552	QNZMWRULKIFAAU-VBKZILBWSA-N	405.385	3.942	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1cccnc1	1424992	IVYPSCOAPMPHPC-RGVLZGJSSA-N	417.206	3.710	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1	4671911	PEPSKSWUVDPSAJ-NNVROAHOSA-N	406.482	3.866	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1	4738965	OYZXJMQZWHUMEE-PCLIKHOPSA-N	403.482	3.964	50	40	HHGB	
CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21	5795244	CQQWCGYXHAEYJS-HMMYKYKNSA-N	406.667	3.603	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1OCC	6355597	XJKDBQVOZZCSHU-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
CC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	12401991	HDWJMGPKPGKJTE-XDJHFCHBSA-N	406.236	3.667	50	40	HHGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	18199591	ROHNJHKVSJUYHJ-BUXKBTBVSA-N	402.406	3.570	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1O	408749022	KAXLTPNCWRPCKD-KEBDBYFISA-N	407.264	3.634	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1	409146062	QPQXJRVODGLLBV-AFUMVMLFSA-N	418.449	3.696	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(F)cc1	409250914	OTFZXZKIIRMYEH-AUWJEWJLSA-N	417.824	3.559	50	40	HHGB	
CCCc1cc2c(=O)n([C@H](C)C(=O)NN=C3C4CC5CC(C4)CC3C5)cnc2s1	6462352	XBDLCRVEPUIPSA-DYCFOQDWSA-N	412.559	3.900	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1	6579693	HPOXHFYGQOTAME-FSJBWODESA-N	412.829	3.916	50	40	HHGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]1c1ccco1	23409261	GFPXTAGUTUVQKD-QYZOEREBSA-N	401.447	3.515	50	40	HHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1	38431012	QDYKWQRWQUFOCG-XIEYBQDHSA-N	401.514	3.907	50	40	HHGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)c1ccccc1	58882817	AOFBICTULKJKKW-SAHIIKMKSA-N	401.466	3.707	50	40	HHGB	
O=C(CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1)NCCc1ccccc1	58914861	OHRIRTJDAABICQ-MFKUBSTISA-N	409.873	3.799	50	40	HHGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1[N+](=O)[O-]	408568118	HZHAWPBZYKNICE-YBFXNURJSA-N	403.485	3.603	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br	408692226	HRTANMPFDZWWBG-UFWORHAWSA-N	411.643	3.573	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NC1CCCCC1	408806473	NHKRRCILBFLSJN-RCCKNPSSSA-N	417.509	3.738	50	40	HHGB	
C#CCOc1c(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	8452594	YEJFUNBMHBJNMQ-ZXCVBSDHSA-N	421.280	3.932	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409007678	YVRFYCAFFGIJSA-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
COc1ccc2c(c1)c(C(=O)N/N=C\c1cc(Br)ccc1O)c(C)n2C	85959076	YAAUYXJIBYCKLW-FBHDLOMBSA-N	416.275	3.727	50	40	HHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1N1CCCCC1	19096921	KIPZUWUTELGBSU-NRFANRHFSA-N	418.497	3.788	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)c1cccs1	709763	XNWDEGIRZKNSCU-LJQANCHMSA-N	422.462	3.791	50	40	HHGB	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(OC)c1	6489193	DKBUJACBCADDAP-UYRXBGFRSA-N	412.461	3.863	50	40	HHGB	
O=C(NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	8381658	ZAVCXZYAFBYGMQ-UHFFFAOYSA-N	409.898	3.956	50	40	HHGB	
Cc1cccc(C)c1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	20213856	WZAVLQHGTXKVAK-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1	408707079	GSIUIVXAWQULDR-WYMPLXKRSA-N	410.861	3.752	50	40	HHGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccc3ccccc23)c(C)c(C#N)c1=O	409233957	ITSJDBLANHGAOX-DICXZTSXSA-N	421.460	3.638	50	40	HHGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)N1CCCC1	409369644	UHVBWDZKRKDRIK-RVDMUPIBSA-N	408.370	3.825	50	40	HHGB	
NC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	658118	HXWPGPQPECKDGP-SSDVNMTOSA-N	412.243	3.824	50	40	HHGB	
CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1	2213922	DOYCITCUOKIDJS-LBMWUGKUSA-N	405.523	3.941	50	40	HHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1	2422594	JZLGWTJLZWIFDX-OBGWFSINSA-N	414.465	3.715	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1OCC	2742900	IQIPSFWYZIAHNB-CIAFOILYSA-N	421.291	3.776	50	40	HHGB	
C=CCc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OCC)c1O	4508984	QUONCGVPUAUULP-CIAFOILYSA-N	415.471	3.670	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	5673037	TVNMKWOJSULHBJ-PNHOKKKMSA-N	422.319	3.961	50	40	HHGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1	8558456	PIIZDMIXJQSDOW-KEBDBYFISA-N	404.264	3.513	50	40	HHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C	22690818	YAJGFEPZAMUBAT-MRXNPFEDSA-N	411.502	3.517	50	40	HHGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(Cl)c(Cl)c1	40846798	VOIFGGNDGAVTGJ-OMCISZLKSA-N	409.010	3.955	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br	59426605	ATMTXFLCJXVMRF-KEBDBYFISA-N	411.683	3.813	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC	409312421	KUVPVROPQNPSAP-JLPGSUDCSA-N	410.470	3.659	50	40	HHGB	
COc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	658970	XSZWZHNZXCTNLV-UPVQGACJSA-N	423.520	3.982	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1	3170639	DFQRLDUEFQSUEK-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	4486980	UNXZFFOBSNFTBP-MRXNPFEDSA-N	403.935	3.861	50	40	HHGB	
CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2cccs2)c(Br)c1	12289780	HMWRYSOWSXEIKL-SOFGYWHQSA-N	423.332	3.874	50	40	HHGB	
O=C(N/N=C\c1ccc(N2CCCCC2)o1)C(O)(c1ccccc1)c1ccccc1	15979450	MFBNOVHQKIMWOR-BWAHOGKJSA-N	403.482	3.656	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	34876075	VUAPCSBHCXBBLY-HLIPFELVSA-N	414.387	3.884	50	40	HHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	59488259	ILWWHZLLNLGVJZ-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
O=C(CBr)c1cccc(I)c1Br	169795975	GNHOGULSOCIQOV-UHFFFAOYSA-N	403.839	3.631	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)c1	408972632	QCYJKCRHARVCJW-BFTFCADCSA-N	402.498	3.730	50	40	HHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	409004330	BWVRSZDEQRGALJ-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OC	409134145	MYCHAHHNHXWWQN-QGZVFWFLSA-N	419.275	3.671	50	40	HHGB	
COc1cccc2cc(C(=O)N/N=C/c3cccn3-c3ccc(C(=O)O)cc3)oc12	1103903	XEONGTQZMXIBLT-YDZHTSKRSA-N	403.394	3.694	50	40	HHGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(Cl)c1	3112434	GBSPHUXEGVWTFQ-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
C[C@@H]1CCc2sc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)cc2C1	3389858	MYGMCOUFKBBUOH-SECBINFHSA-N	418.316	3.722	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1	5205774	MDAKPXNXHDKCSI-HAVVHWLPSA-N	407.495	3.666	50	40	HHGB	
Cc1noc(C)c1CSCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	28083311	ZXVNUVANAZHQKF-UHFFFAOYSA-N	407.561	3.706	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1O	408567370	MFABBEMQXRCGRP-SRZZPIQSSA-N	405.292	3.863	50	40	HHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408762861	LMQIQGFUURNBJQ-ZROIWOOFSA-N	415.243	3.547	50	40	HHGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(O)cc1	409247510	CRKQRPHZBWGLPU-QGOAFFKASA-N	413.433	3.955	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2CN(CCc3ccccc3)CC=C12	19851533	HSNXXDMYLKCHJV-UNMCSNQZSA-N	411.534	3.716	50	40	HHGB	
O=C(NNc1cccc(Cl)c1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	30616032	MFUJINREPBHABH-UHFFFAOYSA-N	405.841	3.893	50	40	HHGB	
O=C(Cc1cccs1)N/N=C\c1cc(O)c(Br)cc1Br	30738223	DYZMKDGPSLIZPL-APSNUPSMSA-N	418.110	3.672	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)c1	33778156	CSCGOIRPODUABZ-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408570242	SYIDDLIMWZXYNJ-HYARGMPZSA-N	412.536	3.706	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C	408589661	MMRHXPQOVPTEAA-MFKUBSTISA-N	419.481	3.582	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1	409242597	RTWZQDKXXKKUMS-QFEZKATASA-N	407.445	3.713	50	40	HHGB	
CCC[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C1CCC(C)CC1	4704016	QBNJXDVAVHBDBF-MQBCKMQZSA-N	411.340	3.970	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1	57537772	VLGQYIHAJAGILD-BOPFTXTBSA-N	403.404	3.879	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	408935615	GFWCNNOMGGYZJR-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	409024095	VDNQKLIVCTVKTC-ZMOGYAJESA-N	416.393	3.932	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c(OCCC)c1	4187621	POVIGAKSARDPGX-HYARGMPZSA-N	415.446	3.702	50	40	HHGB	
Cc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1	6476434	LGYWDCTZIVQDPL-GOSISDBHSA-N	409.486	3.522	50	40	HHGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccccc1-n1cccc1	12741758	UUECQZSSPFBFMK-UHFFFAOYSA-N	406.467	3.506	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc2c(c1)OCO2	32138792	DYXPTEQUKCOTTH-AFPJDJCSSA-N	412.785	3.791	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccnc1	43776572	AYAIGKRSFFVVOM-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N(C)C)cc1Br	59333639	AKPXXKKXPKSUCN-IZZDOVSWSA-N	414.097	3.772	50	40	HHGB	
O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408768510	GPFYWGPXIHVRTA-CVKSISIWSA-N	413.477	3.707	50	40	HHGB	
COc1ccc(OCCn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1	1249496	FWXICXLDOZJLNX-WGOQTCKBSA-N	414.465	3.888	50	40	HHGB	
CCOC(=O)c1csc(N(NC(=O)c2ccccc2)C(=O)Nc2ccccc2)n1	1415198	COMZITDRWMXQQN-UHFFFAOYSA-N	410.455	3.703	50	40	HHGB	
Cc1ccccc1/C=N/NC(=O)[C@@H](C)Nc1ccc(I)cc1C	2744495	SZISSOMNOSPYLZ-XLTHYULKSA-N	421.282	3.859	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC	4735404	QKWBIAQJOXLDIU-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC	12556034	VBAUKTFJRMFYHA-WUXMJOGZSA-N	417.805	3.907	50	40	HHGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1	12859555	FXXMZBPPZYMJGU-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1	32923326	QUIXLPCUDIIPMH-NAHYFOQLSA-N	401.466	3.593	50	40	HHGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1I	33339730	GAERVFWSVJXIMN-WQLSENKSSA-N	419.178	3.745	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC)c(Cl)c1	408604979	KEYIXAYNQDFNLB-INIZCTEOSA-N	418.906	3.687	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1O	408751834	CRKZWHASPLZRLJ-KPKJPENVSA-N	420.206	3.551	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1	408765721	XKXJFWIUTSNQNY-ZVHZXABRSA-N	400.438	3.914	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cc(C)ccc2C)cc1	408784934	WUWUSZAXIMGMSX-UHFFFAOYSA-N	413.543	3.853	50	40	HHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408964864	IAVBELUXWHPPAK-WSDLNYQXSA-N	418.365	3.594	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1	1453940	WNPNIPSYKVZRKX-LCYFTJDESA-N	415.243	3.790	50	40	HHGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1	2228569	WOLICMHOZAMLBX-NRFANRHFSA-N	401.441	3.871	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)o2)cc1	6350511	SQRGKCIEMVNCAL-ZVHZXABRSA-N	419.437	3.846	50	40	HHGB	
Cc1csc(C2=C(N)NC(SCc3nc(C)no3)=C(C#N)C23CCCCC3)n1	12780488	RUIKFQMEDDIFLY-UHFFFAOYSA-N	414.560	3.993	50	40	HHGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	14232708	CFBBHSIZZXFCQD-GFCCVEGCSA-N	412.442	3.675	50	40	HHGB	
CCCN1CC=C2[C@@H](C1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N	19827518	ARRIRAODOMDOOX-MJGOQNOKSA-N	422.330	3.584	50	40	HHGB	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNC(=O)c1oc2ccccc2c1C	32809198	WCMGRCHDSYRRRX-UHFFFAOYSA-N	417.469	3.688	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cccc(-n2cccc2)c1	409108628	XTWCMYKZXJDDGP-UQQQWYQISA-N	418.497	3.859	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)ccc1O	720226	PCERPFWWUSSEHM-FQEVSTJZSA-N	423.419	3.984	50	40	HHGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(Br)o1	857507	NRQJNNHWGHAQQQ-FBCYGCLPSA-N	420.141	3.662	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1	1196775	DEEGSPOPQYWSNI-LFIBNONCSA-N	418.409	3.926	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Cl)cc1	2360626	AYOZYFVKKAYCSO-SRZZPIQSSA-N	415.906	3.566	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1O	408774736	QKXMFENDZHCMBS-PGMHBOJBSA-N	417.509	3.775	50	40	HHGB	
N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1	408994301	ZEFRJKNTNOZLNN-XNTDXEJSSA-N	406.423	3.957	50	40	HHGB	
O=C(O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	33404973	ALIATPAVFFRIKG-ZVBGSRNCSA-N	422.422	3.613	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1	6614554	HRKATTPTEDAQKY-MFKUBSTISA-N	417.465	3.997	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	59444680	JFBUIKORTAVQHU-PCLIKHOPSA-N	417.465	3.753	50	40	HHGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1	3162198	PQRCICYGWACMGJ-RGVLZGJSSA-N	407.411	3.979	50	40	HHGB	
COC(=O)c1cc(NC(=O)C(C)(C)CCl)cc(NC(=O)C(C)(C)CCl)c1	3104475	ATHOJQCRZUMZDV-UHFFFAOYSA-N	403.306	3.880	50	40	HHGB	
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCl)cc1OC	2152624	NJFSDLJTDNKADZ-KRWDZBQOSA-N	419.905	3.628	50	40	HHGB	biogenic
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(Oc2ccccc2)cc1	20059687	HSWYKBRNBVWPEZ-UHFFFAOYSA-N	415.515	3.681	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409218504	VTKNUKQLRQRWLT-OYKKKHCWSA-N	420.425	3.874	50	40	HHGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])c1	409227496	YYQXTVSRGBCDIK-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)cc(Br)c1OC	9434446	RLMIHISVVYQXAR-UFFVCSGVSA-N	421.291	3.612	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1Br	96563323	JPFODBLOTWZPPG-HNNXBMFYSA-N	407.223	3.590	50	40	HHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	4358674	ZYIVQCXTKQGYSK-LPYMAVHISA-N	416.865	3.768	50	40	HHGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cc(Cl)ccc1Cl	6208221	BJALFZZXHJTUSK-UHFFFAOYSA-N	407.175	3.852	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@H]2C1	9370703	LDJMOHBVFLELDJ-LADGPHEKSA-N	423.520	3.984	50	40	HHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	16440104	OLXUTUXOPHSDHC-QGOAFFKASA-N	406.438	3.982	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408740051	CQPVUIGPCFLKRI-ZVHZXABRSA-N	400.394	3.809	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	408761305	DIRXAEKCANQBIP-SRZZPIQSSA-N	421.291	3.937	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	59387088	NQNFKKLORDDFMM-WVISFHDSSA-N	420.694	3.606	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccco1	4739453	IJYOYDRSCXDJOA-AFUMVMLFSA-N	421.453	3.768	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C#N)c1C	408547002	QEAMEFJFBMSIDT-MHWRWJLKSA-N	407.495	3.890	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1	33592168	YAUIRFSADGEIEP-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	6307039	PHDCDPLGNUMYSW-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3F)c2)c1O	1431097	YUZNFLUAFXUGOR-ZMOGYAJESA-N	407.401	3.556	50	40	HHGB	
COc1ccc2cc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)c(Cl)nc2c1	4519990	ORKFHQVEHDDKIS-FSJBWODESA-N	413.861	3.607	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1	4722729	BYBFPBPIMVGSEN-WUXMJOGZSA-N	402.204	3.917	50	40	HHGB	
Cc1cc(OCCCC(=O)NNC(=O)COc2ccc(Cl)cc2)ccc1Cl	8191450	PNHDVWUKLHYHTN-UHFFFAOYSA-N	411.285	3.687	50	40	HHGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1cccc(Br)c1	9871351	OFBYUSVMBYKANJ-LLVKDONJSA-N	411.683	3.639	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2nc3ccccc3nc2C)c(OC)c1	16682023	YMSGSONLXNLIIO-GZTJUZNOSA-N	403.438	3.996	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)o2)cc1	17082166	RYHFLKBVZFXAHP-XDHOZWIPSA-N	401.422	3.742	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	30809060	TXLURMOTZYAZRU-KSEXSDGBSA-N	410.361	3.694	50	40	HHGB	
CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	90506809	XLMYPOUXEIFPNC-ZETCQYMHSA-N	418.110	3.619	50	40	HHGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1C	408913822	NYSQVNUVKMTBFA-AFUMVMLFSA-N	418.497	3.931	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC)c1	408964931	IPASHCWGSCNGME-LPYMAVHISA-N	410.430	3.960	50	40	HHGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NC[C@H]1CCCO1	872820	HMQRGRWVJZLPMQ-JIKIWWBOSA-N	415.493	3.922	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)cc(C)c2)c(OC)c1	1917761	NQKQZVKIPYTBOP-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@H]2C1	4631490	YZNVIFHBOJGBEE-JTHBVZDNSA-N	409.493	3.594	50	40	HHGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1	6155738	XWBBNYRSUBJLSB-LANLRWRYSA-N	405.292	3.812	50	40	HHGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\C=C\c4ccccc4)c(=O)c23)C1	16810051	HEEWGDIJMRSASK-OTGRLFLASA-N	420.538	3.959	50	40	HHGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	100922310	GBGYMBJGRYCOEF-FOKLQQMPSA-N	408.336	3.748	50	40	HHGB	
O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CC(=O)N(c2ccccc2)C1	408610454	UIMGOEFJHFWVCS-SFHVURJKSA-N	419.456	3.901	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1	1434387	PMVWAWCLNBLUPI-CVKSISIWSA-N	417.465	3.785	50	40	HHGB	
CCCCCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	1956872	HBVYQDLCFSMOMS-UHFFFAOYSA-N	417.101	3.564	50	40	HHGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	2409988	HRRYSHWEVOMFJL-RVDMUPIBSA-N	422.872	3.800	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1C	3450441	CZXFHYWXJDDAJN-YBFXNURJSA-N	420.465	3.817	50	40	HHGB	
COc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1	4547416	ZVXDRSVJPXELER-XDJHFCHBSA-N	418.449	3.969	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1C	12859219	XXJKIVOZKKMSEN-ZMOGYAJESA-N	406.438	3.953	50	40	HHGB	
C[C@@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2O1	13811680	VWXUCNCXBJPTKA-DYTQJMLRSA-N	407.495	3.595	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2OC(F)(F)F)c1C	23885421	WOQIWTKAOBAXHM-WOJGMQOQSA-N	421.419	3.873	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)c1	33574535	YAZBCSJWUBVZGP-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(C(C)(C)C)cc1	100522737	UJTXERKCQODNGJ-MFKUBSTISA-N	409.486	3.890	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC(=O)O	408792662	BVGURMPIMPLHJT-RIYZIHGNSA-N	415.243	3.767	50	40	HHGB	
CCOC(=O)COc1ccccc1/C=N\NC(=O)c1cc2cc(OCC)ccc2o1	409186449	CDGFAIIKPDCCPA-QRVIBDJDSA-N	410.426	3.537	50	40	HHGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)c1	1421659	OPUHSFOEWJRCCN-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4OC)cc3C2)cc1	4457055	SPXNOQLDXSWTRQ-QFEZKATASA-N	401.466	3.988	50	40	HHGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1	4700481	DXTQULJTBMYDLY-UHFFFAOYSA-N	405.429	3.732	50	40	HHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	5675110	YGBZZICJBVCNND-ZMOGYAJESA-N	402.406	3.902	50	40	HHGB	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)c1	8382710	RPDLTLKJVGFABD-IBGZPJMESA-N	402.454	3.929	50	40	HHGB	
O=C(CCl)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	9062473	WTVBJGPLRLVUGZ-UHFFFAOYSA-N	417.834	3.543	50	40	HHGB	
CCOC(=O)CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1	55346075	UTBJOAGJSLQNHH-HTXNQAPBSA-N	402.497	3.561	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	58911501	WHHFVNCMQLHJGS-FOKLQQMPSA-N	421.328	3.910	50	40	HHGB	
Cc1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	102084481	IGXJWNSGPITNDW-UHFFFAOYSA-N	402.362	3.923	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	408587651	GPJOKKGABILFGZ-WSDLNYQXSA-N	421.413	3.983	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N(c2ccccc2)C1	409156331	FGYLMZVRAMUDFH-AUEUWSLNSA-N	413.477	3.769	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)c(OCC)c1	6538083	KUDIMWXZAQBGAC-RGVLZGJSSA-N	407.264	3.716	50	40	HHGB	
COc1ccc(/C=N/OCC(=O)NN(c2ccccc2)c2ccccc2)c(OC)c1	7779305	BHGDIDXTTDCORX-LFVJCYFKSA-N	405.454	3.924	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c1O	4505266	QIVXEFNXRXCNPD-GBOPDRENSA-N	411.458	3.860	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc2c(c1)OCO2	5631319	DYXPTEQUKCOTTH-LSFURLLWSA-N	412.785	3.791	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NCc1ccco1	408864786	ZZWBEYPFSPTIRK-YWEYNIOJSA-N	400.026	3.621	50	40	HHGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Cl)cc1Cl	8474808	UQSQLEDRQPHCSK-LGHQWOBVSA-N	405.075	3.503	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(C(C)C)cc1	7387402	ZIIPXISGLYOANH-UHFFFAOYSA-N	415.540	3.865	50	40	HHGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]1c1ccco1	84605881	GFPXTAGUTUVQKD-OTWHNJEPSA-N	401.447	3.515	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	408760132	SELNEJMVOMGYGV-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC(=O)c1ccccc1	657678	WZJHEZQIPQOTBM-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
O=C(N/N=C/c1cccs1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3205081	AKTDZBWEHCENQD-UDWIEESQSA-N	419.915	3.966	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	5916052	QRKFRZFLWVHHCJ-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1	12275028	TYSZQHVETSFFDL-JTSKRJEESA-N	410.470	3.868	50	40	HHGB	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNc4nc(C)cc(C)n4)cc3)o2)c1	30927084	WHQLJOWXPHHRMG-UHFFFAOYSA-N	400.442	3.876	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl	58912888	QPSZNKARQSJISQ-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1	5446400	SPGQGMIWDDSJMR-OAQYLSRUSA-N	402.454	3.832	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	5924056	VGTGDAGTYUVNSH-IBGZPJMESA-N	416.437	3.812	50	40	HHGB	
COCc1c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)oc2ccccc12	6506193	PKKYYTZBMINLRQ-UHFFFAOYSA-N	403.394	3.578	50	40	HHGB	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNC(=O)[C@H]1COc2ccccc2O1	10369201	DWWULCZLEVAZBM-FMAYLGMYSA-N	424.453	3.555	50	40	HHGB	
C[C@@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cccc(Br)c1	12545080	JIOXDQYITJJELK-GFCCVEGCSA-N	415.291	3.646	50	40	HHGB	
O=C(NNC(=O)c1cccnc1Sc1ccccc1)c1ccc2ccccc2n1	12763349	DVBVJFVZYFPZTL-UHFFFAOYSA-N	400.463	3.856	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1	33793255	YUTUJZZEUMVZHF-SSDVNMTOSA-N	410.361	3.716	50	40	HHGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)c1	409007159	UFOTUTAUQBSMMC-YZSQISJMSA-N	421.541	3.995	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cncc(Br)c1	1425034	OASBYVQKGAQFRT-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1	1434399	FBIKEODGQJJUBD-CVKSISIWSA-N	417.465	3.785	50	40	HHGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1sc2ccccc2c1Cl	2419841	KTYUKJCUBQBVCE-SFHVURJKSA-N	418.858	3.676	50	40	HHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccccc3)nc12	2421268	NTWXJUPMISYJLK-OBGWFSINSA-N	414.465	3.715	50	40	HHGB	
COc1ccc([C@@]2(C(F)(F)F)NC(=O)C(C#N)=C3Sc4ccccc4N32)cc1	3277626	AGPSPWLTHJNJJE-GOSISDBHSA-N	403.385	3.888	50	40	HHGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1	5119656	XJIZMXKPYSFVFJ-NCELDCMTSA-N	409.530	3.874	50	40	HHGB	
CN(NC(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)nnc1C(F)(F)F	6178393	YVUFUAUJFRPYHB-UHFFFAOYSA-N	407.783	3.992	50	40	HHGB	
O=C(C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccccc1F)c1ccccc1	6446237	SBOYWZJHEMZNSG-MRXNPFEDSA-N	404.235	3.799	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1	8995485	SOCFPGVLUXHZJQ-GOSISDBHSA-N	407.495	3.796	50	40	HHGB	
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1	15133358	ZWGROMIUQZXVME-WPWMEQJKSA-N	403.457	3.614	50	40	HHGB	
Cc1ccc(-n2nnc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c2C(C)C)cc1	40140429	IHNISODFDSSNQT-UHFFFAOYSA-N	421.545	3.677	50	40	HHGB	
COc1ccc2oc(=O)c(-c3csc(NNC(=O)c4ccc(C)cc4)n3)cc2c1	801948	OPMKRYQEOZQSBX-UHFFFAOYSA-N	407.451	3.990	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790289	BSBIPHRAZYTOQJ-BAACNHRGSA-N	418.305	3.905	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(OC)c1OC	8207791	JIRSDETXBGYTOL-KEBDBYFISA-N	415.427	3.599	50	40	HHGB	
O=C1N=C(NNC(=O)c2ccncc2)S/C1=C\c1ccc(-c2ccccc2)cc1	23867096	URIZNRBKUALQKS-RGEXLXHISA-N	400.463	3.654	50	40	HHGB	
Cc1c(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)cccc1[N+](=O)[O-]	46061578	UYGNVHFMGOJXOG-UHFFFAOYSA-N	407.810	3.985	50	40	HHGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)Nc1ccccc1	408992610	SPOYIBAGQTWOOU-FYWRMAATSA-N	414.450	3.952	50	40	HHGB	
N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NC(N)=O	409233771	XALRMXCDLFMRTQ-XFFZJAGNSA-N	420.303	3.508	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F	996598	YWZJAPWDTIPGEG-KRWDZBQOSA-N	408.376	3.589	50	40	HHGB	
Cc1cc(OCC(=O)NNC(=O)c2cccc3ccccc23)ccc1Br	5925258	VATVIJNHXYVVHZ-UHFFFAOYSA-N	413.271	3.751	50	40	HHGB	
CCCc1cc2c(=O)n([C@@H](C)C(=O)N/N=C(\CC)c3cccs3)cnc2s1	6462344	NADGAABQAUPENY-DRPFOCBESA-N	402.545	3.964	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)c1OC	12275659	KTTVGPPYBKWRMT-SBUREZEXSA-N	422.506	3.655	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1	19366959	GDESJGYURRKXPN-ZMOGYAJESA-N	419.356	3.570	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	20248447	VCUOOFJJTWDNEC-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1nc(Cl)ncc1F	409368580	CQKSESRUWCUTOQ-NTEUORMPSA-N	416.840	3.989	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1	754016	ZLFZHQBFKUEGMY-UHFFFAOYSA-N	408.550	3.731	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c(Br)c1	1003638	QTPREIHLYBKYBW-UHFFFAOYSA-N	412.671	3.643	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c(OC)c1	1086769	SFEFRWPILZSBDD-UCQKPKSFSA-N	412.877	3.756	50	40	HHGB	
CCCc1cc2c(=O)n([C@H](C)C(=O)N/N=C(\CC)c3cccs3)cnc2s1	6462350	NADGAABQAUPENY-GHTHLWOPSA-N	402.545	3.964	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1Oc1nc(Cl)ncc1F	8860782	LCDPYONDUBTOOU-YSURURNPSA-N	415.812	3.619	50	40	HHGB	
O=C1C=CC(=NNC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)C=C1	9193928	NZVBVUNKNYJJDF-UHFFFAOYSA-N	405.479	3.660	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1	12275549	JCUIBYWUGRMTFY-WZONZLPQSA-N	422.506	3.737	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	57582503	JOHVBAVJMAKCGI-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
CC1=NN(C2=N[C@H]3CC[C@H](Br)[C@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	105339433	VVEWGYNQQNSCFR-BTGFPPCXSA-N	406.309	3.754	50	40	HHGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)c1	108036161	JNIYFNPYWDQOTO-QRVIBDJDSA-N	421.409	3.643	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(Br)c2)cc1	408753228	FPWPKVCPXJUBTK-NTEUORMPSA-N	415.243	3.929	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1O	408756314	RHZJQDDFGKMXCO-QPEQYQDCSA-N	415.243	3.912	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cc2cc(Cl)ccc2o1	409134889	ONOPYNBVFHJHPE-FSJBWODESA-N	401.825	3.826	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	6614552	NJSGAYHAMPIHOS-CIAFOILYSA-N	416.275	3.736	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1	12275670	XZLGMBCYNSZLAJ-UWJYYQICSA-N	412.898	3.992	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	59960660	KYVSDRWOMCFRFC-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
O=C(CBr)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2	3181472	PTPLTZKWMRKSHC-UHFFFAOYSA-N	410.651	3.676	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1	1585179	PCGQXUFHEAXNGZ-FQEVSTJZSA-N	411.454	3.680	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(O)cc1	4107984	HPHSSMUGLVBMIX-CIAFOILYSA-N	414.259	3.718	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(Cl)c1	408604986	KEYIXAYNQDFNLB-MRXNPFEDSA-N	418.906	3.687	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1	408753103	LITDVLHGTJWBTH-NTEUORMPSA-N	415.243	3.877	50	40	HHGB	
CCc1ccc(/C(C)=N\NC(=O)CNc2ccc(I)cc2)cc1	408592552	ZFDWQAGJUXFWBB-BKUYFWCQSA-N	421.282	3.806	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2cc(C)ccc2C)c2ccccc21	409361302	GWECYRLETOZSDC-AFUMVMLFSA-N	405.498	3.822	50	40	HHGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	6413244	DDASZLXMDPNSBB-DAOGTEBLSA-N	406.534	3.973	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCC)cc1	26123721	QPNOFCUGWGYIGJ-FYJGNVAPSA-N	401.260	3.624	50	40	HHGB	
COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1	30743003	ZUDHMHBPZRJALB-YVNNLAQVSA-N	417.252	3.934	50	40	HHGB	
O=C(N/N=C1\C(=O)[C@@H](Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc(F)c1	59461468	FQIJDKSXGBERFK-LJZRKVIHSA-N	417.396	3.777	50	40	HHGB	
Cc1ccc(SCCC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1	409114922	DYUZCURLOKZMJQ-UHFFFAOYSA-N	418.316	3.712	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)c(O)c1	409392051	NMGRRRTVIAZYNS-FSJBWODESA-N	422.441	3.789	50	40	HHGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	2411269	LGCNSMZVIUMDKR-BMRADRMJSA-N	414.465	3.843	50	40	HHGB	
CC1(C)[C@@]2(C(=O)O)CC[C@]1(C(Br)Br)[C@H]2Br	3913882	KLQXPQPDNRXJMU-PDFZIDOMSA-N	404.924	3.757	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CC2(C)SCCS2)cc1OCC	6959270	NZGAWZMJVSCNRD-UDWIEESQSA-N	412.964	3.787	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	59421965	QLLLJDKENQGRQU-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1	1083313	SBWKHSFTYXJGTB-OEAKJJBVSA-N	409.829	3.634	50	40	HHGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O	409002757	PTTYEXAMTCDITJ-OQJVKWLYSA-N	401.422	3.514	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1OC	6679048	PVOXTGRRPWGABZ-VBKFSLOCSA-N	404.388	3.988	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)cc1	408817670	WTKJCCXAJGQRAS-VBKFSLOCSA-N	402.406	3.877	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccs1	989876	VHSDHFGXZHFJDN-YDZHTSKRSA-N	424.478	3.813	50	40	HHGB	
Cc1ccc(C)c(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1	1015027	VIQPPVFGMVHCIZ-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CNC(=O)COc2ccc3ccccc3c2)cc1	2121907	QYAOKKFCUPUJDL-JFLMPSFJSA-N	417.509	3.783	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)c2cccs2)cc1I	4523852	DJGOMOQRORMDSV-CXUHLZMHSA-N	400.241	3.515	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)c1	9363630	IEBKEHLYWTUMDH-SFHVURJKSA-N	407.495	3.714	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1	12275470	RFOKVWUUYIKRAQ-AVRDEDQJSA-N	410.470	3.868	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCC(=O)O	408598486	BIUATEJSPACPAW-FOKLQQMPSA-N	418.877	3.873	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408610216	MVKHKQBQSGGDGP-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OC(C)=O	408741111	GSKFZACINPYBKT-ZSOIEALJSA-N	415.243	3.929	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3ccccc3)cc2)n1	3242188	PQRZKLJRQRGLIT-UHFFFAOYSA-N	407.499	3.852	50	40	HHGB	
COC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O	4205477	YYUQUROVWRYIEH-FOWTUZBSSA-N	403.438	3.999	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1	5883887	ZUPPPYUDVGXWLN-SFHVURJKSA-N	417.425	3.992	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	6645929	CFSRKTAIPWLZPU-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1	8116329	SOOBFXHTGSSVPT-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O	9907474	NTTRYDILUDLWHO-MFKUBSTISA-N	424.884	3.831	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1	16137110	WLWFYIKTAHCJRF-BRJLIKDPSA-N	423.391	3.857	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(OC)cc(Br)c2O)cc1	20197740	YPKLTIMFLGRKME-RGVLZGJSSA-N	407.264	3.716	50	40	HHGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C	21548672	BVTDYGHHFBISAJ-FYWRMAATSA-N	424.917	3.709	50	40	HHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	409050070	ZVTHUXDBHNIOSW-SRZZPIQSSA-N	412.333	3.595	50	40	HHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	409268198	RKSVXACWJLPFCI-SJUCLPJRSA-N	408.461	3.745	50	40	HHGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccc(Cl)cc1Cl	1091573	WTRYDSHCHFTWEG-NGYBGAFCSA-N	404.047	3.931	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C)[C@@H]32)cc1COc1cccc(Cl)c1	8766969	NMDFNKWTLVINMX-SJBKTWHCSA-N	424.888	3.657	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C\c3ccc(Cl)cc3Cl)c(=O)c2c1C	31783414	UMYRSBYSBAJDRY-MPUCSWFWSA-N	409.298	3.532	50	40	HHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(F)cc1	101791169	AAHWAKRVQAXTPQ-CNHKJKLMSA-N	416.044	3.820	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\[C@H]3C(=O)N(c4ccccc4)N=C3C)cc2c1	109053151	JWUZXKPNWRAZRQ-VLZFXTDASA-N	404.426	3.586	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1	59425716	GCOHVSKAJPEXBW-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1	57058945	VPTIQEBJXAMJQM-XQQQEEOESA-N	416.525	3.802	50	40	HHGB	
Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCCC3)cc2)S(C)(=O)=O)cc1C	20059243	UCUMEFPOOUKCIM-UHFFFAOYSA-N	413.543	3.929	50	40	HHGB	
O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc(Br)cc1	15933780	WTUTUWBMBWABLS-UHFFFAOYSA-N	400.232	3.774	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	408980432	QXSUATZIJYYDSE-DIWDRYHZSA-N	401.466	3.707	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	38372875	UFLMTSNPCQFNLH-XYGWBWBKSA-N	417.465	3.867	50	40	HHGB	
COc1cc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1OC(C)C	1468634	WEIHOJBXXDNSQD-WSDLNYQXSA-N	423.429	3.545	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc([N+](=O)[O-])c1O	14015941	ANHZHEZMLCVZQF-IZZDOVSWSA-N	424.438	3.962	50	40	HHGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccc(F)cc1	30822004	AAHWAKRVQAXTPQ-WSVATBPTSA-N	416.044	3.820	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1OC	1481053	PCHDHTNTJZUXDU-ZHRRBRCNSA-N	402.450	3.912	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2	97990579	HANBHWVETSPWFA-SDQBBNPISA-N	401.216	3.732	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1	408809951	HVHIGXFHFCWIPO-AMRJIULGSA-N	421.497	3.924	50	40	HHGB	
O=C(N/N=C/c1cccs1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408865222	CEUJYBPOUPWLFC-KOEQRZSOSA-N	418.566	3.830	50	40	HHGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(C)nc2c1	408876812	OASPQKSDIHPYJJ-UUYOSTAYSA-N	403.398	3.883	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OC	408882596	RNRVGJWNQZRUMA-SRZZPIQSSA-N	402.472	3.532	50	40	HHGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(C)=O)cc3)sc2c1	674958	VSPCXROHHKEGFD-UHFFFAOYSA-N	417.874	3.597	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)ccc1O	814501	NRPXFILPPVNPTR-NRFANRHFSA-N	416.481	3.737	50	40	HHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1O	4735251	WUPXGOJQVLZULZ-GIJQJNRQSA-N	412.081	3.610	50	40	HHGB	
O=C(N/N=C\c1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1	223154460	HURXIWJOCNBPMB-NKVSQWTQSA-N	414.181	3.557	50	40	HHGB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1	408603703	GUQYDTFQYWUQLX-LJQANCHMSA-N	417.494	3.719	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/C=C/c1ccccc1	408964160	PUYNLNDNQZDAEL-SUSMPHRWSA-N	407.514	3.720	50	40	HHGB	
CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C[C@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	4631761	MHTZLADISVCCNT-MJECEPGDSA-N	411.509	3.683	50	40	HHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(O)cc1	59158882	GYRWRXHIFHBWJD-CIAFOILYSA-N	422.353	3.765	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)n1	20986356	NXPWJJSBTXCRQH-YDZHTSKRSA-N	406.511	3.915	50	40	HHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1	58823230	QVQHSPVTNJEFEX-OBGWFSINSA-N	404.447	4.000	50	40	HHGB	
CC[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(C)cc2)C1=O	12579876	ZEXHGDQGDBYHAE-ZNCVUUBVSA-N	405.523	3.948	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccc(F)cc1	60810031	FPSWCNCCYPUQMQ-VULFUBBASA-N	417.396	3.689	50	40	HHGB	
O=C(NNc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(F)cc2)CC1	45480766	NBNNFCFTMMYGOM-UHFFFAOYSA-N	409.383	3.840	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccccc2)c1C	408592024	XCLBAYNLEGNESX-PCLIKHOPSA-N	403.482	3.964	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	5953273	KKJYDINTENHLQF-LPYMAVHISA-N	407.382	3.795	50	40	HHGB	
CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	5795015	QMWVLUZXVJCTQT-LJQANCHMSA-N	410.474	3.892	50	40	HHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	832288	AXMOCFQZWXVXDQ-UHFFFAOYSA-N	424.862	3.642	50	40	HHGB	aggregator
CCOC(=O)c1c(NC(=O)/C(C#N)=C2/C(=O)Nc3ccccc32)sc2c1CCCC2	1453374	VHIRWNSSLKOQMG-SAPNQHFASA-N	421.478	3.672	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2325621	BKYCXKLVBOELFU-CCNLRRDASA-N	418.305	3.905	50	40	HHGB	
CC(C)(C)c1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(C(C)(C)C)c1O	4676990	NJTDLOWTCFBYEE-ZMOGYAJESA-N	407.518	3.882	50	40	HHGB	
O=C(NNC(=O)C1CCOCC1)c1ccc(COc2ccc3ccccc3c2)cc1	39975947	UYSNXKYYQJLHHT-UHFFFAOYSA-N	404.466	3.606	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1	408753670	KHJSJQFSCINKIQ-KEBDBYFISA-N	407.264	3.547	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1	409123177	FJAIVOBWPYQIJE-PXLXIMEGSA-N	401.532	3.534	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCC(=O)O	59678465	SQJLOVLEBVHEQS-YBEGLDIGSA-N	410.401	3.572	50	40	HHGB	
COC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	100814705	LOZNLSMRLOURIZ-VMDGZTHMSA-N	408.292	3.571	50	40	HHGB	
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(Cl)s3)cc2C1	12985496	KGBKRMZKWCZRIK-SECBINFHSA-N	404.966	3.601	50	40	HHGB	
C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)COc1ccc(Cl)cc1Cl	4599447	RKKJTQIIBDLQAW-FSJBWODESA-N	409.273	3.597	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1O	409249844	PFIOIYRCHIKLJW-YBEGLDIGSA-N	415.287	3.819	50	40	HHGB	
O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccsc1	409000964	ZHCOYRNUKYMRLP-SOFYXZRVSA-N	418.110	3.802	50	40	HHGB	
O=C(CBr)c1ccc(I)c(Br)c1	169795972	ZWPJPCDVURRSDY-UHFFFAOYSA-N	403.839	3.631	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	6204688	CDDIASGQEMFMFM-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
CCc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1	4402170	IOKHGLSRXOAHSH-WSDLNYQXSA-N	402.838	3.945	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	1083620	DEWXLXDGJSIBIE-KPKJPENVSA-N	403.232	3.718	50	40	HHGB	
CCOC(=O)[C@@H](Br)CCCCC[C@@H](Br)C(=O)OCC	1688349	ZURULWRWZPGQMA-PHIMTYICSA-N	402.123	3.590	50	40	HHGB	
CCOC(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	3342340	HZNWPKDQODNCKY-FSJBWODESA-N	413.474	3.718	50	40	HHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3)c2)c(C)c1	6292388	ZNWFPASRVFQKCC-HZHRSRAPSA-N	407.495	3.868	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1	408930871	DDMSSCVROUVNNP-MXAYSNPKSA-N	415.371	3.887	50	40	HHGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1	674560	SRIHXAKTDLIVCW-UHFFFAOYSA-N	411.502	3.697	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O	2333832	GTYSHMINGBCMLS-NTCAYCPXSA-N	420.856	3.658	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1	2753815	OEOMBBDFEBKLRH-WSDLNYQXSA-N	407.301	3.928	50	40	HHGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2OC)nnc1-c1ccc(C)cc1	4680363	DRSREUSRZIXDDS-XKZIYDEJSA-N	409.515	3.524	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	8301400	YUQNEGZHYOSQND-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)cc([N+](=O)[O-])c1O	36188429	WBEGZKMXZLMPTJ-LVCXCXRVSA-N	415.446	3.742	50	40	HHGB	
O=C(CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1	103596111	LQKWUJHXPDWNNA-UHFFFAOYSA-N	402.359	3.965	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408849618	XEKBLORNMGJKAD-UVTDQMKNSA-N	416.275	3.733	50	40	HHGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1cccc([N+](=O)[O-])c1	1667955	WEPUVLVDJKDIHZ-FYJGNVAPSA-N	409.273	3.643	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1	6563036	WKQDDGGKTALEDK-MFKUBSTISA-N	417.465	3.997	50	40	HHGB	
COc1cccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	20274145	WIBLQBGRKGHVGG-RPWUZVMVSA-N	421.504	3.621	50	40	HHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCOCC2)c(C)c1	33680798	HPCWYUMZJMGFRI-PCLIKHOPSA-N	403.482	3.757	50	40	HHGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	59421963	URJWLTZOHGPRKJ-UHFFFAOYSA-N	407.857	3.596	50	40	HHGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1	408542290	KJIZAVBMDCQKKY-WJDWOHSUSA-N	402.362	3.889	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C	408692699	SJEVLZULZYVOOF-LGJNPRDNSA-N	422.460	3.582	50	40	HHGB	
C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)c1ccccc1Br	4690599	DEULZGJOWNIWMM-CYGNYLSHSA-N	402.292	3.822	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275577	IDQWDWOKXFKKPT-CVDCTZTESA-N	422.506	3.737	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc(C)cc1C	30843629	XMVRZWLSZUVIHH-NHDPSOOVSA-N	405.292	3.994	50	40	HHGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(F)cc1	33410128	ACADXAYNKDWPBD-MLPAPPSSSA-N	405.223	3.568	50	40	HHGB	
Cc1c(F)cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	40140361	JDVDSAHGRNRMFL-UHFFFAOYSA-N	423.400	3.549	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C1=O	101052694	XVSLXJPKSFYHHM-YVECIDJPSA-N	415.125	3.730	50	40	HHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	409235033	AATVVAGGLMMBLF-WSDLNYQXSA-N	408.285	3.603	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccnc2)nnc1-c1ccc(Cl)cc1	1296007	IMFILTFQVAAKQS-LPYMAVHISA-N	414.922	3.646	50	40	HHGB	
N#CC1=C(SCC(=O)Nc2nccs2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1	2694716	QSGINGAAEMOORI-MRXNPFEDSA-N	412.496	3.537	50	40	HHGB	
O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1	4063541	FYYVEUWPLUELDT-AQTBWJFISA-N	422.287	3.571	50	40	HHGB	
CCC(=O)NNC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@H](C)C3	4847495	PBBUYJTVRYZVDW-NSHDSACASA-N	406.577	3.589	50	40	HHGB	
CCn1nc(C)c(/C=N/NC(=O)CSCc2ccccc2Br)c1C	6961208	MUJAMZJQADGBPX-DJKKODMXSA-N	409.353	3.666	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(I)cc1	10118490	DOMHSODKDOQOOV-RGVLZGJSSA-N	416.218	3.914	50	40	HHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	12402248	KBOKZVBJSGDMKZ-AREMUKBSSA-N	424.504	3.758	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Cl)cc1	16745506	HLRRHEGVPUUPMF-HGBKYHTQSA-N	411.914	3.821	50	40	HHGB	
C/C(=N\NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1cccc(OC(F)F)c1	17089518	GGQNFYJYRUGNIY-OPEKNORGSA-N	413.428	3.910	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)no2)ccc1OC(C)C	32912185	XOUWSYHYWNTXSC-UHFFFAOYSA-N	409.442	3.521	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br	33668878	FTWLEWSVAFSXJT-RGVLZGJSSA-N	404.264	3.570	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	58913414	VUDRCDAXDXPYHO-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	409011602	NVDMLBGQZARKQV-SRZZPIQSSA-N	423.256	3.502	50	40	HHGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	1099782	HAQWVIINDFEZBL-DVBYBJGBSA-N	405.366	3.571	50	40	HHGB	
CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccccc1	6007269	CLKWDXZYKPSNRJ-UHFFFAOYSA-N	402.483	3.899	50	40	HHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1OC	408904689	NDKWGDVZZYKFIG-JMIUGGIZSA-N	422.279	3.939	50	40	HHGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2c1	408871355	XVKQPSRYACOCSZ-JJFYIABZSA-N	403.398	3.883	50	40	HHGB	
Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[nH]n1	100895203	QYUWDSWLDDIWFW-HPNDGRJYSA-N	409.449	3.552	50	40	HHGB	
Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c(C)c1	100879245	PDNFNPBSCGHJEP-LPWJVIDDSA-N	415.125	3.730	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1	656859	KIIGOTZXUUVXIK-KEBDBYFISA-N	401.264	3.568	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)c1	884847	VUELNJKZMDEKEC-YBFXNURJSA-N	403.438	3.697	50	40	HHGB	
N#CC(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)=C1Nc2ccccc2N1	3355385	ZGZMOWALCNVOSJ-UHFFFAOYSA-N	417.281	3.970	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1	6355256	DKWYWUUBPKVRAU-SFHVURJKSA-N	413.543	3.560	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408612023	TYTVOCRJVBSXIM-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C	408706916	FCSWXHWFFMSIEY-FOKLQQMPSA-N	405.285	3.798	50	40	HHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl	408866439	HJCIVQHPJQSTEP-LICLKQGHSA-N	410.857	3.593	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(I)cc1	409372940	RBBFJSQUNMTGBV-ZROIWOOFSA-N	405.191	3.819	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)cc1	409381688	VKGSKXGICNZGAV-UDWIEESQSA-N	402.454	3.941	50	40	HHGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2)cc1OC	4664408	HTKZIHDTEIRPNN-HZHRSRAPSA-N	414.458	3.712	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	5586308	ZWANXQYTZJYVIB-LFVJCYFKSA-N	402.454	3.634	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1	20197227	GZSXUWIGVYXVFC-VXLYETTFSA-N	422.235	3.616	50	40	HHGB	
Cc1cccc(N2CCN(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C	36589718	IEJXFWLMABQMEM-HKWRFOASSA-N	415.946	3.918	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58914801	KSSOZPRLADDRPT-NHDPSOOVSA-N	412.789	3.597	50	40	HHGB	
COc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)c(OC)c1	100868371	AIRKOCWUHPLTJO-CCKFTAQKSA-N	410.308	3.801	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1	408608124	VCHUAQKNEWACDA-IBGZPJMESA-N	402.479	3.772	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)O	408793689	GDOSBCWFQCKNJB-VIZOYTHASA-N	414.845	3.975	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl	409190977	XLWNZFKMDCWERU-QPEQYQDCSA-N	411.285	3.901	50	40	HHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(Br)cc2)cc1C	2147599	MENOCIQBOVFLBX-CIAFOILYSA-N	402.292	3.935	50	40	HHGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(Cl)cc1	2319214	MIDDDIQKCIWQDZ-UFFVCSGVSA-N	403.870	3.517	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)c1	9363631	IEBKEHLYWTUMDH-GOSISDBHSA-N	407.495	3.714	50	40	HHGB	
COc1ccc(CCNC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1	9466456	RPQGHOWGEFABEM-UHFFFAOYSA-N	419.959	3.915	50	40	HHGB	
N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(O)cc1	16488871	SIQOSXSVRXEMBN-FRQCXROJSA-N	400.360	3.581	50	40	HHGB	
O=C(N/N=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1)c1ccc(F)cc1	30822066	FBBXYQYMARCVBW-MSXFZWOLSA-N	406.369	3.538	50	40	HHGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	38397861	PBWMYSZVKVQSSY-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
C[Si](O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	195751402	RFGGTTPASBFBTB-UHFFFAOYSA-N	410.665	3.782	50	40	HHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc2ccccc2[nH]1	408599270	RJKGOLNAQFOBLX-FOWTUZBSSA-N	407.455	3.964	50	40	HHGB	
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1	408673168	ZDQULKKPIJIDHB-UHFFFAOYSA-N	424.840	3.750	50	40	HHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)ccc21	408890405	SNGSZRJKAZWSPI-XYOKQWHBSA-N	401.253	3.729	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1OCC	409309343	FTQKLJKHQNDCPH-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1ccc(C(C)(C)C)cc1	1244651	NMNYBPCNXOHSGE-ZVHZXABRSA-N	422.558	3.900	50	40	HHGB	
N#CC(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)=C1Nc2ccccc2N1	3278576	GNDMQKQNYGUKKT-UHFFFAOYSA-N	402.237	3.921	50	40	HHGB	
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	6187718	ZWAPUVJDIUVLHL-UHFFFAOYSA-N	400.394	3.649	50	40	HHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC	13424404	KOIQDNWXIKPCCR-ZHZULCJRSA-N	413.477	3.844	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(Br)cc1	20086675	JKULXHLQRSKETJ-OAHLLOKOSA-N	407.223	3.590	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCC(=O)O	20195255	PIYQINGAFVGBDC-FOKLQQMPSA-N	418.877	3.512	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1O	58854516	HKDTWLKVGQLEIR-VSMYLPJWSA-N	409.305	3.794	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)c1	5462026	BSEKGGATQIWFHV-FSJBWODESA-N	406.394	3.616	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	6331845	VAGWLXOQQPUTRC-RYQLWAFASA-N	414.456	3.906	50	40	HHGB	
CCSc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1	12947353	UHKAQNDCWUPBFX-LBPRGKRZSA-N	423.332	3.790	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nn(CCO)c(N)c1C#N	13563271	PRQBLTQCUDEAPA-DHZHZOJOSA-N	414.252	3.960	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1	101052826	UBDNOFUWNUJFRJ-WRWGMCAJSA-N	421.516	3.766	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc(F)c1	137076738	SKRXDGVOJGVUQW-ACEGTKJHSA-N	410.445	3.615	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1cc(Cl)ccc1Cl	58911533	GHIKOPIFMRTQRO-FOKLQQMPSA-N	421.328	3.910	50	40	HHGB	
N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cccc(I)c1	408924234	MDLKCLSKDSOFOT-XYOKQWHBSA-N	418.190	3.535	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	409229824	ABNHWXWPSRJERG-QFEZKATASA-N	406.413	3.796	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)cc2Br)cc1	72042047	VZRXOLXMPROISN-GHXNOFRVSA-N	403.232	3.718	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1	3166922	CMXUVAHJIAYMNG-FYJGNVAPSA-N	404.308	3.824	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc([N+](=O)[O-])c1	5427994	LATJMFBTPPJJIF-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1	575613674	JXTHJVUQFDHRFZ-CYBMUJFWSA-N	420.526	3.858	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1	1022615	KRLDDBRPIRPCRB-NRFANRHFSA-N	416.437	3.908	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)cc3)c2C)cc1	408535227	YASJRLAHMGJQJM-VULFUBBASA-N	418.497	3.751	50	40	HHGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N	408546230	FIOCKCCECZYYHS-GZTJUZNOSA-N	418.474	3.836	50	40	HHGB	
CCSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CCCC2=O)N1	1315283	USHIAXAVKQHNNH-GOSISDBHSA-N	400.500	3.895	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccc(C)cc1	1253282	SWQWYYGOJIPNSC-LPYMAVHISA-N	409.515	3.524	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1O	15219370	ZHXLQNGFNYDTOP-GHXNOFRVSA-N	420.206	3.551	50	40	HHGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1	20348366	SQRFSUYTFBRGHR-INIZCTEOSA-N	411.483	3.512	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)cc3)c2C)c1	408526662	CXLXHEWRWCPDJU-VULFUBBASA-N	418.497	3.751	50	40	HHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccco1	408759818	MHQRRDUBVXGAFD-HZHRSRAPSA-N	420.446	3.964	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	409190814	WLNGLAOVDZJGFE-SRZZPIQSSA-N	419.275	3.543	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2cc3c(nn2)CCCC3)CC1	575610052	TZKWUUZQSBTMLA-QGZVFWFLSA-N	406.621	3.718	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2cccc3cccnc23)cc(OC)c1OC	706043	XSKRSQVBIICFSY-FSJBWODESA-N	411.483	3.503	50	40	HHGB	
O=C(c1ccncc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	858890	MYSAJCSCHYHCRL-UHFFFAOYSA-N	423.472	3.696	50	40	HHGB	
CCSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CCCC2=O)N1	1315284	USHIAXAVKQHNNH-SFHVURJKSA-N	400.500	3.895	50	40	HHGB	
COc1ccc(CSCC(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1	4502542	BGNRPALAPZEKCL-UFFVCSGVSA-N	402.541	3.573	50	40	HHGB	
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21	5269921	ORDAIHCVLPPALY-ZZEZOPTASA-N	418.884	3.824	50	40	HHGB	
CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	8560456	RKRRLGYVIICKBS-VXPUYCOJSA-N	420.900	3.927	50	40	HHGB	
O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)[C@H]1COc2ccccc2O1	13581642	QWEPTHKTNYYZLW-FJOJGSNPSA-N	422.868	3.927	50	40	HHGB	
COc1ccc(O)c(/C(C)=N/NC(=O)c2ccc(OCCC(C)C)c(OC)c2)c1	102951021	XJKHAUDCFNSGIJ-HZHRSRAPSA-N	400.475	3.988	50	40	HHGB	
Cc1cc(Cl)cc(Cl)c1OCC(=O)n1c(C)c(C(=O)NN)c2ccccc21	216862806	FZDCSZNXXOZJMR-UHFFFAOYSA-N	406.269	3.888	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cccc(I)c1	408962562	ZDRMGSPNKMVVRI-DEDYPNTBSA-N	419.266	3.655	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)c1c(C)nc2ccc(Br)cn12	5608231	BCNZQLHLESOSFX-KEBDBYFISA-N	401.264	3.568	50	40	HHGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)N1CCCC1	7749881	WXWPFLOTRXPAQD-IZZDOVSWSA-N	414.097	3.750	50	40	HHGB	
Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)c2)cc1	7780123	MLWVJHICRILFSH-FDCKDHBTSA-N	415.449	3.537	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Br)c1	8812654	VLTQTHXFRCPCPV-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1	15240004	UCSPXGYEJIXIMT-FQEVSTJZSA-N	423.494	3.829	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3s2)cc1OC	19849283	YUNXELXSKOYELY-MTJSOVHGSA-N	401.513	3.946	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444678	OQMUURDEEQUDMT-PCLIKHOPSA-N	417.465	3.753	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32	95115719	QTIDYIJWNOMILU-XMMPIXPASA-N	401.466	3.506	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1Br	408878126	WQOARHMUMNONGB-LSCVHKIXSA-N	412.081	3.990	50	40	HHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1cccc(Cl)c1	408992709	BDVQSCBEERNSIJ-KEBDBYFISA-N	406.895	3.698	50	40	HHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc(Cl)cc1	409225557	PQBFHUFJWPGPBW-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
C=CCc1cccc2cc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c(=O)oc12	2287091	LPQYBTDIBAXRTF-UHFFFAOYSA-N	417.248	3.903	50	40	HHGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(-n2ccnc2)cc1	21763325	ACIJYBUBBHFWBM-PGGKNCGUSA-N	423.691	3.964	50	40	HHGB	
CCOC(=O)c1ccc(N/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1	100929845	YXSSOWBMZUEATP-STZFKDTASA-N	415.449	3.568	50	40	HHGB	
O=C(O)COc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl	408851200	WIBLVOJAYLQRHU-AQHIEDMUSA-N	414.767	3.515	50	40	HHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1cccc(C)c1	408927070	ZMOQFUGYHSRVCC-UFFVCSGVSA-N	406.280	3.737	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)cc1	408966954	OFWYYIAUSFLZCF-DHRITJCHSA-N	405.385	3.898	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccc(Br)cc2)cc1	3167626	OVSLVIQOANYICB-KOMLCTQHSA-N	405.292	3.812	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)n1	3234418	UYGULAZSTIAFFN-SSDVNMTOSA-N	408.483	3.561	50	40	HHGB	
Cc1cccc(OCCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1	3441230	KDIDHTCCNUOASE-UHFFFAOYSA-N	422.456	3.943	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1OC	5539906	YIOYRCKLYHDTTK-LSHDLFTRSA-N	406.866	3.512	50	40	HHGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N1	5707656	GWJALLZLTMQVDE-CXAGYDPISA-N	403.891	3.505	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1	9260025	FSCSPTJVWQXQJW-CIAFOILYSA-N	407.386	3.674	50	40	HHGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccn1	95481330	RWJASEGLFJPFBR-VYIQYICTSA-N	406.445	3.916	50	40	HHGB	
C/C(CC(=O)NC1CCCCCCC1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl	100090509	SHJUPZFESLKWQG-LPYMAVHISA-N	408.886	3.973	50	40	HHGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1	408890236	QEBXXFQBLYCQBR-ZVHZXABRSA-N	419.462	3.511	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)cc1OC	409318358	VVNXHOINZKJNRU-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(F)cc1	409361041	PSOOVTRLDAYGKP-SSDVNMTOSA-N	406.255	3.715	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1	1410850	VOFMMCNKDHBLCO-UHFFFAOYSA-N	421.522	3.854	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	1797993	FQHQDMNYFVKOEX-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(Oc3ccc(O)cc3)cc2)cc([N+](=O)[O-])c1O	36024575	LDVRNRKEBQLIKD-WSDLNYQXSA-N	423.381	3.571	50	40	HHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cncc(Br)c1	1055832	VPRREYXKSJYDBC-FOKLQQMPSA-N	424.254	3.827	50	40	HHGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1	2405107	SEJQXDBUPMIKQS-XDJHFCHBSA-N	422.444	3.710	50	40	HHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])/C(=C\c1cccs1)NC(=O)c1ccccc1	3114788	ORZDGRXUQSDTMP-NIUVQHNQSA-N	420.450	3.578	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1OC	3300310	FMMOKKNGMVDYBS-FSJBWODESA-N	412.877	3.674	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(C)cc3)o2)cc1	12411103	INDBGCJOLUSDPR-OYKKKHCWSA-N	406.438	3.961	50	40	HHGB	
COc1ccc(SCC(=O)N/N=C\c2cc(F)c(N3CCCC3)cc2C)cc1	108055732	KMDRQHMPBXIJDF-QRVIBDJDSA-N	401.507	3.985	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)C(C)(C)C	408771270	GIDWUGBZYJQOLU-OQKWZONESA-N	401.532	3.729	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	408816874	KGIBCJCKNZEUSE-YBFXNURJSA-N	404.220	3.686	50	40	HHGB	
CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	101553877	KIJRHMNJOBHQGA-VCHYOVAHSA-N	404.422	3.893	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)nc2ccccc21	946797	RKOIZLHRHINXEE-OEAKJJBVSA-N	410.499	3.614	50	40	HHGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1CC)c1ccc(O)cc1	55378548	BSPYLVINOJCAIC-RELWKKBWSA-N	409.515	3.693	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O	59920888	WFKOOVXPQNYNHC-ODCIPOBUSA-N	417.181	3.946	50	40	HHGB	
Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	2316838	YSSHOYAFRPGFMM-UFFVCSGVSA-N	403.870	3.517	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)c1	26781492	AVJXAOYVLHFEQK-RVZOMNRZSA-N	418.449	3.735	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC	33663495	LRUMNCFDHLTWCI-MTJSOVHGSA-N	405.838	3.738	50	40	HHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@@H](O)c1ccccc1	1105605	JYFLTBYBRNBCFY-VSIOZEBNSA-N	402.479	3.785	50	40	HHGB	
C/C(=N\NC(=O)CSc1ccccc1)c1cccc(I)c1	16136954	NFZOJDOPUWZYEM-LDADJPATSA-N	410.280	3.924	50	40	HHGB	
O=C(N/N=C/c1cccs1)C1CCN(Cc2ccc(Br)cc2)CC1	4482470	SCEUPYPLKIDATA-UDWIEESQSA-N	406.349	3.873	50	40	HHGB	
O=C(NNC(=S)NC[C@@H](Cl)Cc1cccc(C(F)(F)F)c1)c1ccccc1	4175637	WEJGSUNPTYQLDR-HNNXBMFYSA-N	415.868	3.664	50	40	HHGB	
CC(C)[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nc(-c2cccnc2)no1	58247313	AZMWBIQSBAUHNA-QGZVFWFLSA-N	420.922	3.589	50	40	HHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12	59459158	BPGPGIQCRPVWED-ZMOGYAJESA-N	400.394	3.695	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2C)c1	408757865	DNTQFRGZJZYNAG-QRVIBDJDSA-N	406.442	3.840	50	40	HHGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)c1	409218412	IQSLIFNCRWTPMA-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(CC)c1	959695	MCYAFNUMQSMZKD-CIAFOILYSA-N	405.292	3.939	50	40	HHGB	
CCn1c(SCC(=O)N/N=C\c2c[nH]c3ccccc23)nnc1-c1ccc(C)cc1	30743178	AKOTWBQNIDDLOZ-CFRMEGHHSA-N	418.526	3.997	50	40	HHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)c1	58914242	HHTPVRXNYOFNNO-YUMHPJSZSA-N	416.525	3.868	50	40	HHGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1	2228570	WOLICMHOZAMLBX-OAQYLSRUSA-N	401.441	3.871	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)ccc1O	408729016	WZIUCQJWQGOIHF-ROTLSHHCSA-N	405.429	3.824	50	40	HHGB	
Cc1cc(NC(=O)N/N=C\c2ccc(N3CCOCC3)cc2)ccc1Br	408905874	FXZLLTZPPHULMV-BKUYFWCQSA-N	417.307	3.750	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Br)OCO3)cc1	4550727	POQZFZOFJIQSKR-SDQBBNPISA-N	401.216	3.732	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1OC	8861485	PGNFITPQLPIIQN-OEAKJJBVSA-N	424.478	3.677	50	40	HHGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2)cc1	1434593	YBORKLXRZAKNHB-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	3089031	VWTGWYIWGBSTRZ-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)[C@@H]1COc2ccccc2O1	13581639	QWEPTHKTNYYZLW-GHJVFANLSA-N	422.868	3.927	50	40	HHGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1	2225583	WULNTJHOWRFMJX-QGZVFWFLSA-N	407.495	3.923	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC#N	4738841	XUQPKAAMNRTXMT-WGOQTCKBSA-N	415.449	3.794	50	40	HHGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	13800703	OTJUXPIAEJWXIP-FSJBWODESA-N	420.425	3.646	50	40	HHGB	
CC(C)=CC(=O)NCc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	72302678	QOMMPMPFIKOLFK-UHFFFAOYSA-N	423.557	3.637	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)cc1	106066664	UTDUUFHMZXEWIU-KOEQRZSOSA-N	417.513	3.944	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)O	409238230	CWVZEXWFOGPVFR-KHAFMBKQSA-N	414.845	3.596	50	40	HHGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cccc(Oc2ccccc2)c1	3186225	OATAOEKYPZXIDL-BRJLIKDPSA-N	415.371	3.810	50	40	HHGB	
Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)cc1	4944756	PDYZTJWEBZQQBG-RUZDIDTESA-N	410.477	3.715	50	40	HHGB	
COC(=O)COc1cccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1	59472874	QLWIKTGGNDWRGV-CIAFOILYSA-N	406.891	3.524	50	40	HHGB	
COc1cccc(CC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1	408849957	BPOKNODUQJRLTR-HMAPJEAMSA-N	412.287	3.941	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1	408956823	ZRLMTQMPZYJKKB-HMAPJEAMSA-N	412.287	3.941	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	408970335	GITNHWGNNKGYIP-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(Br)c(Cl)c1	409229600	RRZXXJRPBPTRBR-SDQBBNPISA-N	421.682	3.612	50	40	HHGB	
CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@H](CI)C2	2056226452	RVATZNFAHOQDSI-HNNXBMFYSA-N	413.299	3.695	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1OC	5455072	DGGTZORNNCVQHV-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1	8372172	CELSDQKZMDALRG-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
Cc1[nH]c2ccc(C(=O)OCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)cc2c1C	16538269	QBNGNQPVWZFYHA-UHFFFAOYSA-N	414.465	3.832	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)c1	18189294	WHTHFKAXBJQDPA-VYIQYICTSA-N	418.497	3.668	50	40	HHGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1	20348368	SQRFSUYTFBRGHR-MRXNPFEDSA-N	411.483	3.512	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cccc(Br)c1	101096989	MBHVGZNSHAQTDH-SSDVNMTOSA-N	408.255	3.713	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Cl	408884365	WUYKWPMVFXOEPZ-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
CCc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	409027096	YSSRZVHOAXDISY-UHFFFAOYSA-N	413.543	3.881	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2ccc(Cl)cn12	9369960	FHWXVGPKJGXSEJ-DNTJNYDQSA-N	421.682	3.831	50	40	HHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(C(C)C)cc2)C(C)C)cc1	408764101	LFNQMORDTJGOPT-KURUZVKSSA-N	415.559	3.572	50	40	HHGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1cccc(Cl)c1	31783443	MOUITMCDUZKNCX-MYKKPKGFSA-N	422.897	3.929	50	40	HHGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	585139719	HHQFFIOFZPGAOG-KFNJTMBFSA-N	413.470	3.869	50	40	HHGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1	15932277	PGKSTNKFGFAZNI-FBHDLOMBSA-N	413.773	3.970	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1	1062718	POQZFZOFJIQSKR-WUXMJOGZSA-N	401.216	3.732	50	40	HHGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1	4167159	QBFYQKFGQKYLMI-INIZCTEOSA-N	424.844	3.671	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	6558035	JTUFQIJTKZMIRJ-UHFFFAOYSA-N	404.495	3.994	50	40	HHGB	
C[C@H](O/N=C/c1ccc(Br)cc1)C(=O)N/N=C\c1c[nH]c2ccccc12	54996033	ABTNASOJILFWIN-WYJVNZBZSA-N	413.275	3.820	50	40	HHGB	
O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1Br	95934483	AOMYTMXBSGKEDQ-SFHVURJKSA-N	400.272	3.974	50	40	HHGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3ccco3)c3ccccc32)c1	408542331	KTMGAQUWICKBEO-CFRMEGHHSA-N	401.422	3.833	50	40	HHGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1cccc(Cl)c1	408886707	IKWJNIBFPBUKKF-HYARGMPZSA-N	414.870	3.872	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(F)cc1	409040642	HHNPQNIBEJHKAT-KPKJPENVSA-N	419.206	3.597	50	40	HHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1	409233482	SKEGQEUHNPVYRC-YDZHTSKRSA-N	413.861	3.695	50	40	HHGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccc(Cl)c(C)c1	4614176	MPWFSSWYCWOHSR-YDZHTSKRSA-N	405.882	3.897	50	40	HHGB	
CCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O	8425438	XMVFKVSSKVMNMW-UHFFFAOYSA-N	401.507	3.536	50	40	HHGB	
O=C(CSC(c1ccccc1)c1ccccc1)NNC(=O)c1cccc([N+](=O)[O-])c1	17329563	VBNMSBHLTJQWLI-UHFFFAOYSA-N	421.478	3.879	50	40	HHGB	
COc1ccc(C2=Nc3cc(Cl)ccc3[C@@H](c3ccccc3)N2CC(=O)NN)cc1	256028043	QAKOWENKVQUUTQ-JOCHJYFZSA-N	420.900	3.822	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OC)cc3)c2C)c1	408588595	JBZARTBGDMCDJH-MFKUBSTISA-N	419.481	3.582	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br	408755048	TVKUNUFVWLPJMH-SSDVNMTOSA-N	414.259	3.535	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	59960283	IKCJMXBZBIMEPT-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
Cn1cc(C(=O)NNS(=O)(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21	6547408	LLDABOOHKAFJIK-UHFFFAOYSA-N	411.527	3.849	50	40	HHGB	
Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C#N	9019824	LSEDUMRFFRYYNP-QGZVFWFLSA-N	422.466	3.614	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc1	409220058	TYRJKSBNKLBQHA-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c(OC)c1	20029507	XZAPSMXFSJPOGB-IBGZPJMESA-N	421.522	3.919	50	40	HHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1Cl	2269218	AUOKVOMVNRKUFA-CVKSISIWSA-N	405.885	3.738	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1	3216160	FNKUEYNIQAIKIY-WGOQTCKBSA-N	420.488	3.834	50	40	HHGB	
C=CCOc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	4834639	OLWCKJBSJZTDCB-WGOQTCKBSA-N	411.461	3.870	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccco1	4865466	PZCVJGUQPDZVPV-CJLVFECKSA-N	411.483	3.851	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C)[C@@H]32)cc1COc1cccc(Cl)c1	8766971	NMDFNKWTLVINMX-KCZVDYSFSA-N	424.888	3.657	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	12582552	HPUFNQQYIJTNQY-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
C[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)c1ccccc1	12816241	IDFGPLUJBDXVCS-UONOGXRCSA-N	405.292	3.558	50	40	HHGB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1c[nH]c2ccccc12	12946798	CSXGMJMVAATVLL-UHFFFAOYSA-N	412.808	3.999	50	40	HHGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)c1C	13945592	HPHZDICYTBJIGI-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	59473343	NTUFRLDZROZHBL-DNTJNYDQSA-N	421.316	3.870	50	40	HHGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1	408541771	HOMMPIXETONQTR-VKAVYKQESA-N	400.438	3.787	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408706495	AFVLGBMQUJJZRB-LPYMAVHISA-N	417.307	3.559	50	40	HHGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	408774645	MQPOCNYDDHZBSK-SILNSSARSA-N	403.482	3.516	50	40	HHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccc1F	5583422	QKECOLMOQCFFKF-SSDVNMTOSA-N	405.267	3.996	50	40	HHGB	
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NNC(=O)c1c(C)nc2ccccn12	9467402	VFYBCKTZVQHXOA-UHFFFAOYSA-N	421.545	3.744	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1O	20247932	LZJAWRUEYLXHFS-KEBDBYFISA-N	423.332	3.937	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NC1CCCCC1	28215402	BZAFDLCCRHBXGF-ZVHZXABRSA-N	413.905	3.932	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)c(C#N)c1C	408598507	BTLMRXILIJSBJT-FOKLQQMPSA-N	405.414	3.848	50	40	HHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1	409002979	QLVYDFPJZVDANN-MFKUBSTISA-N	414.465	3.970	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OC	6580274	UVAHUTXEEYRXHS-NVNXTCNLSA-N	401.260	3.690	50	40	HHGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1	850055	MSXJWRXYCOCVOS-NRFANRHFSA-N	402.454	3.725	50	40	HHGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1	4698784	CNWOFTFHPYOFGK-OVCLIPMQSA-N	409.461	3.819	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)o1	408544497	WOIXMAJGCXEHDJ-QINSGFPZSA-N	416.389	3.977	50	40	HHGB	
CN(C)c1oc(/C=N\NC(=O)COc2cccc3ccccc23)cc1Br	408856052	HWTFURIMFGWSPO-NHDPSOOVSA-N	416.275	3.790	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccccc2OC(F)F)cc1OC	3249140	DYLAJYWUWAJSDX-FOWTUZBSSA-N	402.397	3.571	50	40	HHGB	
CC[C@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(C)cc2)C1=O	6934117	ZEXHGDQGDBYHAE-LBMWUGKUSA-N	405.523	3.948	50	40	HHGB	
CCCc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1	7387404	DFJONTWBVCOPGW-UHFFFAOYSA-N	415.540	3.694	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(F)cc1	59101657	MOAALJNVVTZHFS-DHRITJCHSA-N	409.392	3.633	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	408726236	MHMUGGBVMKYOAQ-CIAFOILYSA-N	408.370	3.764	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1	408955219	OHOMZQSNSUIYPF-LSCVHKIXSA-N	412.081	3.990	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3c(F)cccc3F)cc2)cc1	409079905	GVTBFKYSEPYZDC-LGJNPRDNSA-N	405.360	3.820	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(Cl)cc1	409359721	BTXBJKCBUQLHFO-SSDVNMTOSA-N	420.694	3.677	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	5360916	SPVWCHLVLPBKLS-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CC(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1	9170393	YOPUVKVKUSIBFD-LPYMAVHISA-N	407.499	3.607	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Br)ccc2OCC)cc1	10475941	YFWKBCNUEIOGFQ-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1	33535549	WGQPYEJAZOSGOS-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	58913882	GFWWPPYPRYLLSU-YVNNLAQVSA-N	409.317	3.766	50	40	HHGB	
CCOc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1O	408568212	IJCYCEJUNUSBFA-CIAFOILYSA-N	418.540	3.799	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408607970	GDENBOSXGLGVHZ-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccncc1	408960640	HMPCPPRBTACNFN-FSJBWODESA-N	403.398	3.907	50	40	HHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc(Cl)cc1	840415	QCCPWXAWWUDNHB-SNVBAGLBSA-N	401.677	3.804	50	40	HHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	16480738	GNETYHLPZYHWFX-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(C)c(C)c1	33759308	GIJXGCNUMPWBKV-KGENOOAVSA-N	421.282	3.860	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1C	58912882	VTOZOXSOJOJPSY-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
CC(C)CN(CC(C)C)CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	101560484	OLTFRGBDOWGIQK-LVWGJNHUSA-N	406.530	3.739	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408936261	HJRXIMSGIZWYLP-WMJRALALSA-N	409.317	3.766	50	40	HHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cc2ccccc2o1	408941860	KNAAEVDIZSYCTI-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1	409006226	IEJFUBFCBHUFMV-PDGQHHTCSA-N	406.442	3.594	50	40	HHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	2697158	CZOGDOWMZPCTIW-XDJHFCHBSA-N	414.465	3.595	50	40	HHGB	
COc1cc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)ccc1O	6746269	FSYLLJGALVMABV-QGZVFWFLSA-N	407.495	3.929	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1	19948040	DFNOXONYOGUOBR-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)cc1OC	22507547	KQTMWYXDSGCBPI-UHFFFAOYSA-N	423.494	3.715	50	40	HHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccccc2F)[C@@H]3CCC1	61872435	FWTHWFXTSOQSCW-MNVTYAKESA-N	404.489	3.932	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	408541576	GRVRUQDQWQUTRT-WYMPLXKRSA-N	417.421	3.753	50	40	HHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc(O)c3)c2)cc1C	409012790	KSMVTKDXKWTFDA-QFEZKATASA-N	417.465	3.790	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(O)c1	409389780	ADMJOWDHSGMWGI-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1	2621174	MDWSSBVGOHTKOH-FQEVSTJZSA-N	421.884	3.662	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	2774475	VTKDWJUKUQBKTP-LDADJPATSA-N	408.454	3.881	50	40	HHGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccccc2)c1)c1cncc(Br)c1	3186433	WBSHECUWNLLPKJ-FOKLQQMPSA-N	424.254	3.827	50	40	HHGB	
N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21	5267963	DKASFWUQPPLLTC-ZPHPHTNESA-N	404.495	3.622	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)cc1	9477658	PZSBJDMATLEIDR-DTQAZKPQSA-N	417.444	3.629	50	40	HHGB	
CCCOc1ccccc1/C=N/NC(=O)c1ccc(I)cc1	10118579	JWXUQZQMXOMGRS-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)c([N+](=O)[O-])c1	83308314	KZLDUGRJHNVIGC-JMIUGGIZSA-N	410.342	3.541	50	40	HHGB	
COc1ccc(C(=O)NN[C@@H](C(=O)Nc2ccccc2)c2ccc(Cl)cc2)cc1	408734261	MNHRYVWGRCCGIW-HXUWFJFHSA-N	409.873	3.963	50	40	HHGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1)C(=O)O	408847089	MJSWMQNJUHRBHC-WZJLVRHISA-N	418.449	3.735	50	40	HHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	409002748	PRSRJGHSIMKVFQ-UHFFFAOYSA-N	407.857	3.596	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Cl	409243568	SPBQOUKTMJZTAX-ZVBGSRNCSA-N	423.325	3.655	50	40	HHGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccc2c(c1)OCCO2	3113813	DPZMWUDZXCZTHI-AFUMVMLFSA-N	420.396	3.580	50	40	HHGB	
CCCCCCC(=O)NN/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	16995901	BVBKMWVQVQCSCW-VKAVYKQESA-N	408.458	3.738	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1	408995922	FSUBKWRRJGDJOG-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccccc1	408894879	KWMYVDJJLYTGQW-NBVRZTHBSA-N	404.447	4.000	50	40	HHGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2	95471053	SKJSHRJHGWKOKN-FYJGNVAPSA-N	406.530	3.747	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1	5464487	PEVPHJGDPSKXIY-DZQSVEARSA-N	404.466	3.848	50	40	HHGB	
CCOc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC	6047764	IMUZKZUBSCDSIB-FYJGNVAPSA-N	401.419	3.555	50	40	HHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)c2ccccc21	36046359	CCDUURLODCSMBE-DZQNVJDRSA-N	411.509	3.683	50	40	HHGB	
COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)c1	818316	WGKYDRGVIVYOKD-KRWDZBQOSA-N	401.875	3.657	50	40	HHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	2247947	APSCGDGLKQNLQI-JOCHJYFZSA-N	412.493	3.942	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br	408864447	VUUJKOAHMHBSIR-KEBDBYFISA-N	410.699	3.698	50	40	HHGB	
C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409147625	VOUUBRUXHOCGLR-KRWDZBQOSA-N	401.260	3.829	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(Cl)c2)c1	409227019	XDJGOBJIEDNLQY-AWNIVKPZSA-N	404.253	3.712	50	40	HHGB	
Cc1ccc(SCC(=O)NNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1	15764110	FSEOSLXWVFWTMU-UHFFFAOYSA-N	423.542	3.751	50	40	HHGB	
C=CCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\NC(=O)Nc1ccccc1	5225337	QJEYSWUEBFCBOT-FLFQWRMESA-N	408.483	3.811	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	3081539	HDVNQYCEWZCPLU-CIAFOILYSA-N	415.471	3.552	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1	100527387	DKOBMHXVGUDGAA-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
Cc1ccccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	7881484	PDLWIMNNOWRZNL-LPHOPBHVSA-N	417.864	3.911	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(OC)c1OCC(=O)O	59302849	QCYLMSSHEDXZJI-UNOMPAQXSA-N	420.465	3.995	50	40	HHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3C)c2)cc1	6250935	UTFNSVHOINBAOR-HZHRSRAPSA-N	423.494	3.568	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccnc1	408966177	NFWWIKOJIGLEIA-FOKLQQMPSA-N	403.398	3.907	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\C=C\c1ccc3c(c1)OCO3)CO2	4720818	WWFBUYGELSIGQA-QKKHBPGQSA-N	408.454	3.668	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1OC	5728566	MPLDXUAICNLQQV-ZDLGFXPLSA-N	402.454	3.626	50	40	HHGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1c[nH]nc1-c1ccccc1	8703882	UGWSUPRLEMYPRW-UHFFFAOYSA-N	412.449	3.584	50	40	HHGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(F)cc4)c(=O)c23)cc1	31783586	DJAJKCUNUWDGAC-MRUKODCESA-N	420.469	3.723	50	40	HHGB	
COc1cc(I)c(Cl)cc1C(=O)NNc1ccc(F)cc1	40080096	FMTBPGSXHSJGQZ-UHFFFAOYSA-N	420.609	3.849	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2I)c1	408758574	MXMKKFUTDJLCBF-LCYFTJDESA-N	404.207	3.845	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)cc1	6998024	IJFRXUDEBRZYGA-ZMOGYAJESA-N	400.866	3.741	50	40	HHGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1	7727786	LMMTZFWXCUCUKO-UHFFFAOYSA-N	416.524	3.746	50	40	HHGB	
CN1C(=C(C#N)C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)N(C)c2ccccc21	14074662	DHNGWZPUJSQLCX-FMIVXFBMSA-N	407.857	3.787	50	40	HHGB	
O=C(NNC(=O)C1CCCC1)c1ccccc1C(=O)c1ccc(Br)cc1	47459461	RIAGJGQLHSAFLZ-UHFFFAOYSA-N	415.287	3.631	50	40	HHGB	
CCCCCCCCCCCC(=O)NNS(=O)(=O)c1ccc(NC(C)=O)cc1	100968839	KYQQPSOKVCXORK-UHFFFAOYSA-N	411.568	3.875	50	40	HHGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1	409002145	YGMDZNBVOBWJMS-HZHRSRAPSA-N	413.543	3.613	50	40	HHGB	
COC(=O)c1ccc(SSc2ccc(C(=O)OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1605984	UYYXQLZKGJWXIQ-UHFFFAOYSA-N	424.412	3.876	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1O	8721767	YLQHKXPXMDTQMO-ODCIPOBUSA-N	417.181	3.946	50	40	HHGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2cccc(Cl)c2)o1	32118912	NUISMGBVJJFOHF-UHFFFAOYSA-N	405.888	3.611	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1Br	20086669	JPFODBLOTWZPPG-OAHLLOKOSA-N	407.223	3.590	50	40	HHGB	
Cc1ccccc1NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1	2794596	AOXOZRHDYAKDTN-UHFFFAOYSA-N	401.385	3.863	50	40	HHGB	
COc1ccc(C(=O)NNC2=NC(C)(C)Cc3c2ccc2ccccc32)cc1OC	4837753	YDRIKDQMPDTKJN-UHFFFAOYSA-N	403.482	3.873	50	40	HHGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc(-c2ccc(F)cc2)s1	8110706	OXVIDCZQJKKPIT-UHFFFAOYSA-N	410.879	3.831	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1	58913382	PLXLCXCXOJLVBR-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	408612042	UBTCAJLFHCIUAC-AEIQVQRHSA-N	419.456	3.732	50	40	HHGB	
CC(C)=NNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1	408772842	RSLMGGWWYMXKMP-UHFFFAOYSA-N	407.923	3.664	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N(C)C)c(Br)c2)cc1	1186799	SFNRGBLSSABNRR-MHWRWJLKSA-N	414.303	3.747	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	1257889	SFSCWPLUANNNKO-SSDVNMTOSA-N	417.897	4.000	50	40	HHGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)c(Br)c1	1406811	PMYUJELOIWFORE-SDNWHVSQSA-N	401.260	3.783	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1O	3275056	HXUJAVGMYCAVKL-WSDLNYQXSA-N	406.467	3.874	50	40	HHGB	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C(/C)c3ccc([N+](=O)[O-])cc3)c2C)cc1	8905478	OKKNPLSXCNTDTI-HMAPJEAMSA-N	407.430	3.846	50	40	HHGB	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1sc2c(c1C#N)CCCC2	209658614	JNHRNKGSANDOJE-XGICHPGQSA-N	422.422	3.681	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OC	408876798	NYRZYGNCAZSTNP-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NC(N)=O	409225792	LDUFUODQQGJZGP-XGICHPGQSA-N	408.216	3.813	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1O	409231160	IIUPFPQASRPGNB-YBEGLDIGSA-N	415.287	3.819	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-]	12250905	RDYARHDZXVOEID-INIZCTEOSA-N	410.430	3.953	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccccc1	20060540	TVKJPOHJXQOWTM-LYBHJNIJSA-N	421.522	3.731	50	40	HHGB	
O=C(CCCC(=O)N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1	31670096	VHFJBCKFUNLZLE-YFBGDSSHSA-N	405.285	3.764	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccc(F)cc1	408851650	FFTNSOLFNRXVDT-XFXZXTDPSA-N	420.238	3.563	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409250459	MEYSCGMTVPMUSB-OKYTWDAHSA-N	409.795	3.862	50	40	HHGB	
C=CCOc1ccccc1/C=N/NC(=O)c1ccc(I)cc1	10118581	NTJDDQGXLNVRST-XDHOZWIPSA-N	406.223	3.620	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	2756477	MTYXBKIMKZCKHA-NLRVBDNBSA-N	418.493	3.870	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)cc1	58912611	VGJYHURIMGLRFC-BUVRLJJBSA-N	404.470	3.582	50	40	HHGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4F)c(=O)c23)cc1	1784643	KYOCVCPELUCLHF-KIBLKLHPSA-N	420.469	3.723	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1	13895906	FPLCOWKDJIISJQ-FSJBWODESA-N	405.882	3.816	50	40	HHGB	
COc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)N(C)c2ccccc23)cc1	5688296	YJJPZTKSWPYTDU-LJQANCHMSA-N	400.360	3.868	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(I)o1	408992828	CHWJXQWLYBWIRV-UWVJOHFNSA-N	422.144	3.596	50	40	HHGB	
CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409253310	TYBFBLLKWIEQQR-NHDPSOOVSA-N	409.255	3.688	50	40	HHGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	16400782	XVYDBXZMEUERKP-FBHDLOMBSA-N	413.773	3.970	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1	7386240	LWHDEBJGEKSZHY-XQNSMLJCSA-N	403.442	3.750	50	40	HHGB	
O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1c[nH]c2ccccc12	1959986	WSKIAVVOBDHOSG-WSDLNYQXSA-N	413.275	3.799	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)O	2785416	AQYBOYAUWTYXMX-VGOFMYFVSA-N	400.818	3.666	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1	5127877	CLLFPXDEZATDEN-VMZVJJNPSA-N	422.525	3.866	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	7386803	CLGSEOZJKAZVAX-KOEQRZSOSA-N	422.529	3.668	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1	9328967	DAGNFZOHZKJAFI-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
Cc1ccccc1-n1cnnc1SCC(=O)/C(C#N)=C1\Nc2ccccc2N1C	12544260	VTZLFFDRBXDNOE-HMMYKYKNSA-N	402.483	3.534	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)c1O	16977641	LPGPIHZBFAGDHN-ZVBGSRNCSA-N	405.241	3.862	50	40	HHGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21	96577881	PZHAUYBOYNRNQB-VBKFSLOCSA-N	403.438	3.759	50	40	HHGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccncc1	408737749	OIQZURXBBKEDGD-RQFMOZSRSA-N	414.509	3.505	50	40	HHGB	
CCO[P@](=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCOCC1	635349	KXSDTFMCAUIPMC-GDLZYMKVSA-N	416.389	3.583	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1OC	6324436	PYZWCAPVTFZLOO-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1Cl	16136928	CPSDIJYBNDPIQV-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(Cl)cc1	16745967	MRPXPXLBJHBCBE-HGBKYHTQSA-N	411.914	3.821	50	40	HHGB	
O=C1C[C@H](C(=O)NN(Cc2ccccc2)Cc2ccccc2)c2ccc(F)cc2N1	32879870	PDQGHXLTWVQGLI-NRFANRHFSA-N	403.457	3.985	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c(Br)c1	4724158	HEOMDUUONRIBOT-IDUWFGFVSA-N	412.265	3.565	50	40	HHGB	
Cc1nc(CC(=O)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cs1	6053791	BBLVEENGIXWWJH-ZVBGSRNCSA-N	401.923	3.659	50	40	HHGB	
COc1ccc2ccccc2c1[C@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	9271499	RFCPOCQOZAUBTC-ZJSXRUAMSA-N	423.520	3.982	50	40	HHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	20060291	GAVIKSHOYCZCOV-HAVVHWLPSA-N	415.559	3.599	50	40	HHGB	
CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(CCCCl)cc2)cc1	58174490	PCMKOAPJUPNNCU-UHFFFAOYSA-N	420.962	3.571	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408676671	MCAKLGBPEORSON-HYARGMPZSA-N	415.335	3.879	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccccc1C(=O)O	409214961	YVTAPMOSKZKHJW-ZVHZXABRSA-N	404.470	3.622	50	40	HHGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(N2CCCC2)cc1	408676434	ISKFAVQSRBWRTF-DEDYPNTBSA-N	419.266	3.655	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408612995	YEWWOCPAKDBXKP-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408608122	GMJFMYNCZJWZTD-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1	5482491	ZBQUUHDWFWWEHV-SFHVURJKSA-N	410.817	3.969	50	40	HHGB	
CCCOc1ccccc1/C=N/NC(=O)CSc1nnc(C)n1-c1ccccc1	2737080	DYUIDNREUXWBHZ-HYARGMPZSA-N	409.515	3.607	50	40	HHGB	
Cc1ccc(C(=O)c2cc3c(cc2NC(=O)CCBr)OCCO3)cc1	13945492	KCOHNHUAXZBBSB-UHFFFAOYSA-N	404.260	3.721	50	40	HHGB	
CCOc1ccc2nc(SCC(=O)NNC(=O)c3cccc(C)c3)c(C)cc2c1	933031	FIJPDQQSCMFQGG-UHFFFAOYSA-N	409.511	3.804	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1OC	5248556	LCQWFERDGAUETE-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
C#CCn1c(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	6043924	JHOYEKRTACIJEM-TURZUDJPSA-N	421.500	3.969	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)cc1	6428571	WKEMCMWIEAEHAL-RIYZIHGNSA-N	400.818	3.777	50	40	HHGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)cc1	9489260	JXQAGMBGLQNRSB-CVKSISIWSA-N	404.514	3.507	50	40	HHGB	
Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)c1	12859494	IJVUAWHZJWPOMS-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1OC	58980233	MICBQYPLIKELIE-AFUMVMLFSA-N	421.428	3.859	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408541934	FXGKXNDIEGIMTL-LICLKQGHSA-N	409.511	3.913	50	40	HHGB	
Cn1ccnc1SCc1c(C(=O)NNC(=O)c2ccccc2)oc2ccccc12	57995303	HNEHZTATKYEBFW-UHFFFAOYSA-N	406.467	3.533	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1	104667353	DUMZURVEDPGPMQ-MNDPQUGUSA-N	403.511	3.969	50	40	HHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	408997911	PDNGCGIPDJWARG-YDZHTSKRSA-N	406.373	3.750	50	40	HHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1C	6867910	FJFGHVCEIHSLLF-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCC(=O)OC	59335717	ZVPDOONMLIALFX-UNOMPAQXSA-N	420.465	3.830	50	40	HHGB	
CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)Cc2cccc3ccccc23)cc1	676493	LOFGEKIWUUCQQJ-UHFFFAOYSA-N	403.482	3.828	50	40	HHGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21	5305501	JWRRDRUADGJWIE-ZPHPHTNESA-N	406.873	3.681	50	40	HHGB	
Cc1cc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)cc(C)c1Cl	4724144	YMAVYQQNBNZVSR-KSEXSDGBSA-N	412.877	3.686	50	40	HHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408785759	BQZVKNFTVJXQEY-WSDLNYQXSA-N	421.950	3.688	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408980310	QLMIZXMFDSPTPK-YALBQKEFSA-N	401.466	3.707	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OC)cc3)c2C)cc1	408589382	LNKXDUHFIMLMBC-MFKUBSTISA-N	419.481	3.582	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OCC)ccc2nc1Cl	676581	WTOUEDIHKRRXNU-GOSISDBHSA-N	413.861	3.932	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1	844041	IACJRKQQVFEXRZ-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
Cc1cc(OCC(=O)NNC(=O)c2ccccc2Br)cc(C)c1Cl	5924682	VYKNXQJKHOHBMG-UHFFFAOYSA-N	411.683	3.559	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	6296085	KHXBSTMGCINHCQ-LPYMAVHISA-N	402.483	3.522	50	40	HHGB	
Cc1cc(C)cc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1	20208473	FKPLLQOGLQHTLQ-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC	58884715	QWCOMMMWIZGBFT-BUVRLJJBSA-N	419.437	3.585	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532863	JZZRFUNKKNQTOF-LQAUXRIUSA-N	403.394	3.626	50	40	HHGB	
O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccccc2)[C@@H](Cl)C1(Cl)Cl	8927113	FDJBTJMBWYTXNT-SVXRXWARSA-N	421.516	3.870	50	40	HHGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1	58883018	IDUNLQUYSGVHOD-YVNNLAQVSA-N	408.285	3.661	50	40	HHGB	
C[C@H](Sc1nnnn1-c1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104735999	WXCFCEHMGSNMDA-XHAIIGHRSA-N	406.496	3.665	50	40	HHGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/C1=Cc2ccccc2OC1	6186811	KPAXCXQCALLSAT-PXMCARDJSA-N	421.497	3.700	50	40	HHGB	
CCCCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1	409158520	OUUSPSVAANMFNT-HBAFHOPNSA-N	407.514	3.931	50	40	HHGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	409136044	WDPWUBPZKZJJNF-KOEQRZSOSA-N	407.514	3.597	50	40	HHGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(O)c(I)c1	408904414	JBOBUBXWLSOEAQ-ZDLGFXPLSA-N	409.227	3.715	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)o1	33767070	OKFLUQTZZJKYME-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)CSc1cccc2cccnc12	83331460	VZNFZRGPLLYMBL-CFRMEGHHSA-N	417.494	3.677	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	1101054	ZUJSLWIHMOGWTC-DHRITJCHSA-N	415.405	3.722	50	40	HHGB	
O=C(CCCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1	1691890	SRZDURLEHFQXCO-FWSOMWAYSA-N	405.285	3.764	50	40	HHGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	209665593	WZLGORICCCOWIQ-GHRIWEEISA-N	418.522	3.881	50	40	HHGB	
N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	3304200	MTXGCZQSGMXLQT-PTNGSMBKSA-N	409.471	3.892	50	40	HHGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	5525589	DRTRHQVHHXYDNS-OBGWFSINSA-N	410.481	3.958	50	40	HHGB	
CCOc1cc(Br)cc(/C=N\NC(=O)COc2cccc(C)c2C)c1O	13945567	OSEWCMNNZQWGFN-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
COc1ccc(C(=O)N[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C(C)C)cc1	45480851	OCBHXSFRJZWVFD-QGZVFWFLSA-N	409.408	3.612	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCC(=O)O	59247892	PMHNONDDGQHCEJ-WQRHYEAKSA-N	406.438	3.741	50	40	HHGB	
Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3ccc(F)cc3)c(C)c12	95947402	ZZYGLDDFHUNCNV-UHFFFAOYSA-N	400.479	3.820	50	40	HHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1	408708335	PFNXQJFRTWBJJW-FOKLQQMPSA-N	405.285	3.798	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1O	408781149	AYNKALGMTXHERV-CVKSISIWSA-N	415.493	3.723	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCC(=O)O	408850213	IHCQOLKGVVXYGZ-JJFYIABZSA-N	417.849	3.696	50	40	HHGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OC	409220034	SXSVFMWPHPMWNE-RQZCQDPDSA-N	419.366	3.503	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccn2C)nnc1-c1ccc(C(C)(C)C)cc1	1243998	FQHPXKFSDGRHAX-OEAKJJBVSA-N	424.574	3.843	50	40	HHGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2OC)c(OC)c1	1782519	VFRYIUWDTVURNN-ZLINDNQKSA-N	420.465	3.756	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790293	MLAKFGSDYJWCDU-URTGMZOISA-N	418.305	3.905	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2cccc(I)c2)c(C)c1	3150051	MFYVNRFHOUROHJ-KEBDBYFISA-N	422.266	3.746	50	40	HHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCC(C)CC3)c2)cc1	5163403	KGNQEZNRRHGRDQ-UHFFFAOYSA-N	415.515	3.792	50	40	HHGB	
CCOC(=O)c1csc(-n2nc(-c3ccc(C)cc3)cc2NC(=O)CCl)n1	5243799	ZVQHGHGLJHXTTD-UHFFFAOYSA-N	404.879	3.658	50	40	HHGB	
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(O)cc43)[nH]c2c(OC)c1OC	5538898	KFMLAUJMEDHHPN-GFCCVEGCSA-N	416.861	3.882	50	40	HHGB	
COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCc1ccccc1	33735174	BSSLKWSCYSYPJV-IWIPYMOSSA-N	419.437	3.875	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(Br)c1	973749	FKDZCGYXVPKDDO-UFFVCSGVSA-N	416.275	3.777	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	1452845	PUZSLBCPDZAIDJ-OAQYLSRUSA-N	402.454	3.806	50	40	HHGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	6795028	HHQFFIOFZPGAOG-DXEFXBQUSA-N	413.470	3.869	50	40	HHGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc(O)c1	10387050	BBCZXAWGZKHNAP-UHFFFAOYSA-N	415.240	3.585	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1	17207632	HENFJCNHOTXPOW-KRWDZBQOSA-N	403.398	3.602	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC(C)C)cc1	408602520	CGKHAHWMCOAGOZ-GOSISDBHSA-N	412.515	3.669	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)cc1	408726134	QCHSBNMMZBHPBW-BUVRLJJBSA-N	406.438	3.825	50	40	HHGB	
O=C1c2ccccc2C(=O)N1C[C@@H]1CC[C@H](Cl)C[C@@H](CCBr)O1	952958944	SGNANNCODPJDBG-XQQFMLRXSA-N	400.700	3.613	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1I	3087694	IHFRGKPVVDKUDD-OAHLLOKOSA-N	420.250	3.742	50	40	HHGB	
N#CC(Nc1ccc(I)cc1)=C1C(=O)c2ccccc2C1=O	4342202	LNGUZHLZSCCHLN-UHFFFAOYSA-N	400.175	3.560	50	40	HHGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	6455724	ADZXJKRQVMQDNJ-BBRMVZONSA-N	403.935	3.813	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1	10475798	IMTLXRBYZBVHSP-OEAKJJBVSA-N	423.425	3.955	50	40	HHGB	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408788119	BELMXERMWLJKGL-KOMLCTQHSA-N	405.498	3.622	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1	409301274	DQNRLXBKBSMAPM-KRWDZBQOSA-N	407.495	3.714	50	40	HHGB	
CCN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	5903795	ODWPNWVXGWXZOZ-GYSBHSFWSA-N	409.489	3.880	50	40	HHGB	
CCCOc1ccc(C(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1OC	12696782	KIOHWSQNTDPFRI-UHFFFAOYSA-N	403.287	3.927	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2ccccc2SCc2cn3ccccc3n2)c(C)o1	28278900	RYPPPRVQDVBCHR-UHFFFAOYSA-N	420.494	3.911	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c1	107672729	NLTQRYDXKGYTJJ-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccsc1)N/N=C/[C]1C=CSC1	575733439	WOMJGWKXWATOFS-UDWIEESQSA-N	405.569	3.866	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(C)C	9204445	DVEHZGQFLHYABO-CIAFOILYSA-N	405.292	3.938	50	40	HHGB	
O=C(NNC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cc2c(s1)CCCCC2	22873625	FRJOLKCWWAPOMF-INIZCTEOSA-N	414.527	3.650	50	40	HHGB	
COc1ccccc1OCCn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21	2260206	RCAUGRPITBLVGW-WGOQTCKBSA-N	414.465	3.888	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	20763852	ORSGUQPEABEMHU-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409303557	NLLVWICTQJWGRD-UCQKPKSFSA-N	400.862	3.913	50	40	HHGB	
COc1ccc2nc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc(C)c2c1	5163726	ZJLDHWNXAGRTGB-SRZZPIQSSA-N	410.455	3.702	50	40	HHGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1OC	408583823	XCTPPHQGJINHQC-VGOFMYFVSA-N	418.243	3.994	50	40	HHGB	
CCOc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)OCO2	408955164	SZYILNMJBQIRIX-MFOYZWKCSA-N	403.438	3.561	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	5636514	DJCNXYIXBRPYMI-LPYMAVHISA-N	400.866	3.611	50	40	HHGB	
COc1cc(-c2nc3cc(NC(=O)CSC#N)cc(C)c3o2)cc(OC)c1OC	226328101	GTRVRMLWTHQWOM-UHFFFAOYSA-N	413.455	3.982	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OCC	658718	UZGBZTMGWALQCR-LJQANCHMSA-N	404.422	3.809	50	40	HHGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2)c(C)cc1Br	3271228	WKTNKPAFSYJGSF-UFWORHAWSA-N	409.305	3.720	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1	4675014	YXHJASIHROUWAC-UHFFFAOYSA-N	404.495	3.879	50	40	HHGB	
COc1cc(Br)c(-c2nnc(SCCCCl)n2C)cc1OC	199765146	NYTJVMXVMZDHLD-UHFFFAOYSA-N	406.733	3.983	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1	408985904	NXCLSEFNROZJCE-AFUMVMLFSA-N	408.889	3.514	50	40	HHGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)s1	408995529	AUMHRGBCNDMAJS-VIZOYTHASA-N	400.279	3.661	50	40	HHGB	
CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2C#N)C2=C1CCCC2=O	409142664	ARIDQOVRXFDZMI-QHCPKHFHSA-N	410.477	3.867	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)o1	409377621	JIIQIUONMCLXGE-GDNBJRDFSA-N	406.398	3.959	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1-c1ccc(F)cc1	2652420	UNRZIZGJVYJVMQ-AUEPDCJTSA-N	424.388	3.634	50	40	HHGB	
NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1	1415747	UGERZRATFYKJJG-UHFFFAOYSA-N	403.389	3.771	50	40	HHGB	
O=C(COC(=O)c1cc(=O)c2ccccc2o1)NN(c1ccccc1)c1ccccc1	3263314	LGPKTKJXNCRDLW-UHFFFAOYSA-N	414.417	3.819	50	40	HHGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cs1	44028543	LJVNPRJDCXRVHY-XYOKQWHBSA-N	419.304	3.824	50	40	HHGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2cc4c(cc2Cl)OCO4)C(C#N)=C(N)O3)cc1	8382630	WZKXSRUAWLNXSX-QGZVFWFLSA-N	422.828	3.686	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(C#N)cc1	409198078	WMGYLNRKMJFKBW-ZVHZXABRSA-N	405.479	3.900	50	40	HHGB	
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1F	9376527	YMBOHXULGUCCJU-UHFFFAOYSA-N	418.403	3.892	50	40	HHGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408809095	HVOITIFNCYHAKG-JFLMPSFJSA-N	410.477	3.570	50	40	HHGB	
CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(Br)c2)CC(=O)N1	90506810	XLMYPOUXEIFPNC-SSDOTTSWSA-N	418.110	3.619	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cncc(Br)c1	2351445	OGDWXFAPUWZRGP-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
CC1=NN(C2=N[C@@H]3CC[C@H](Br)[C@@H]3S2)C(=O)[C@@H]1/N=N/c1ccccc1	101052878	VVEWGYNQQNSCFR-QLILKSQTSA-N	406.309	3.754	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(C)=O	671574	YNFWSQDPSWYDQF-PCLIKHOPSA-N	402.450	3.903	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204438	IKVIPOKAPKOJHC-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	58913395	QLYRGSYKUHQQSA-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1	83327644	RLXCJZWEDXSRJO-OBGWFSINSA-N	404.447	4.000	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)C(C)(C)C	409140073	CRROOKOJZSDULZ-CJLVFECKSA-N	401.532	3.972	50	40	HHGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I	409195586	WPHYEGNGPNBSAK-UVTDQMKNSA-N	422.266	3.822	50	40	HHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(S(N)(=O)=O)cc1	1680125	YRXJDQWENWQDHM-LPYMAVHISA-N	414.358	3.677	50	40	HHGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)c1	12275895	QVOACBIUEPFOET-LAUBAEHRSA-N	412.898	3.992	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1	408807288	BPRVCPDAICSLJU-LDADJPATSA-N	402.406	3.877	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1	409170916	YBSHTPXUKMJTDV-GHRIWEEISA-N	409.873	3.887	50	40	HHGB	
Cc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)cc([N+](=O)[O-])c2O)n(-c2ccccc2)n1	3241723	VFKGPFGMIPYAGU-RIYZIHGNSA-N	423.816	3.994	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	4944733	CJXLTNAFSIGWME-VWLOTQADSA-N	410.477	3.734	50	40	HHGB	
COc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccccc1	32929288	FBIKEODGQJJUBD-YSMPRRRNSA-N	417.465	3.785	50	40	HHGB	
C[C@]1(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NC2(CCCCC2)Cc2ccccc21	408734030	DKFYYMDQKSBUCI-OLCUMFGGSA-N	406.486	3.809	50	40	HHGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(Cl)c4)CC(=O)N32)c1	12275891	QVOACBIUEPFOET-UWJYYQICSA-N	412.898	3.992	50	40	HHGB	
N#C[C@H](/C(=N/NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccccc1)c1ccccc1	104285893	RHYLKAKIUJIVPI-OMDPTLJQSA-N	422.444	3.662	50	40	HHGB	
CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(I)c1)C(C#N)=C(N)O2	1438070	WRIJTMXOIYITBO-LBPRGKRZSA-N	420.254	3.530	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1C	5547092	ZKLOWWWJGYJCRO-PNHLSOANSA-N	413.477	3.750	50	40	HHGB	
CCOC(=O)Cc1csc(/N=C(O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)n1	9042286	CDCCIASWDSDBSK-ZSOIEALJSA-N	415.471	3.851	50	40	HHGB	
Cc1c(-c2ccccc2)oc2c(C(=O)NNC(=O)c3cccs3)cccc2c1=O	9882942	GIYKCOIQJHLRQC-UHFFFAOYSA-N	404.447	3.905	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(F)cc1	13424142	HKVADQIEEKNLGG-SFQUDFHCSA-N	419.412	3.660	50	40	HHGB	
CC(C)c1cc(C(=O)O[C@H](C)C(=O)NNC(=O)c2ccccc2)c(O)c(C(C)C)c1	14067164	DJEQBCRHBBXIRA-OAHLLOKOSA-N	412.486	3.646	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1	18323393	UBDNOFUWNUJFRJ-IWDIQUIJSA-N	421.516	3.766	50	40	HHGB	
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NN(c1ccccc1)c1ccccc1	40005029	IUXSJWKFQSNROF-UHFFFAOYSA-N	406.486	3.501	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)c1	101052697	JJRVIHWWZZMRLG-YVECIDJPSA-N	415.125	3.730	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OC	59515929	FRCWKONTVLVMPT-XYGWBWBKSA-N	404.466	3.976	50	40	HHGB	
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2O1	2438201	VWXUCNCXBJPTKA-JXCQQFQQSA-N	407.495	3.595	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	5205628	KSTSZDNIRYRMPS-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)c1	4503461	QAYPELZBRHATIC-AUEPDCJTSA-N	400.797	3.834	50	40	HHGB	
FC(F)(CCI)C(F)(F)CCI	95671183	JFYZKVSETQEPKR-UHFFFAOYSA-N	409.930	3.907	50	40	HHGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1nn(CCO)c(N)c1C#N	38282524	UGGIPAFBGPBGGI-LICLKQGHSA-N	419.872	3.626	50	40	HHGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	408977134	VLMJNVIJKXLAEJ-NXUGVVLJSA-N	423.419	3.691	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	38365800	UQFALPAECPCYGK-XKZIYDEJSA-N	407.382	3.795	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)NCCc1ccccc1	1015023	QOKFSLOJHHCILR-YZSQISJMSA-N	416.481	3.580	50	40	HHGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)OCC)cc1OC	13942807	MTAKOFZHQBMXJH-KPKJPENVSA-N	415.227	3.559	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc([N+](=O)[O-])c1	1101268	BBYZBORXGVJINH-WYMPLXKRSA-N	405.389	3.777	50	40	HHGB	
CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl	4698680	YOGLKTXGYICQNZ-BTXKWLAHSA-N	416.305	3.794	50	40	HHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C1/C(=O)Nc2ccccc21	5094049	KJHABHTZOHWJNA-UHFFFAOYSA-N	408.255	3.617	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	9328560	SYZIOCITZQJYFH-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)cc(OC)c1O	9562755	FTWCIPHTDWXVDP-DHRITJCHSA-N	424.428	3.891	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1cccc(Cl)c1	28214807	YMENWKIMTHIKHK-ZMOGYAJESA-N	423.856	3.827	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	101300357	TVNMKWOJSULHBJ-UAOJZALGSA-N	422.319	3.961	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408761016	BRQHGSYSFSPVSM-SRZZPIQSSA-N	421.438	3.974	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409046694	LGIQXXSCSFFSLI-NTUHNPAUSA-N	403.188	3.885	50	40	HHGB	
COc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Br)ccc3o1)OCO2	409105968	LVCDZAOSVQYRKR-DNTJNYDQSA-N	417.215	3.697	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1	5701793	RFXSMSROBRIPIG-ZDUSSCGKSA-N	408.527	3.933	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408610975	PFIOTRKRNQAFFB-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCc3ccccc3)cc2)c1	704914	CVMHKCBRIUXAPG-UHFFFAOYSA-N	401.466	3.641	50	40	HHGB	
Cc1ccccc1NCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	1056134	LZPKGPOTYVLRRC-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1OC	3067336	YNSUGSANXIKAEC-BUVRLJJBSA-N	403.438	3.502	50	40	HHGB	
CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(=O)C1CCCCC1	4849394	QAIBJNMQIWQCAK-UHFFFAOYSA-N	401.532	3.626	50	40	HHGB	
CC(=O)Oc1cccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)C(C)=O)n2)c1	8694824	VJSVVKGOGOQUAX-LSHDLFTRSA-N	423.450	3.851	50	40	HHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	13525322	OUVSECPIFQRUSQ-XMHGGMMESA-N	409.511	3.715	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1O	35582292	JBMLBTROCIECOX-VZUCSPMQSA-N	407.304	3.873	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59433961	DSJSPNIZMCLQEB-MFKUBSTISA-N	417.465	3.671	50	40	HHGB	
CN1CCC(=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1	59436870	YKGGIQLNCNZZRF-UHFFFAOYSA-N	418.585	3.953	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	79474759	CWHSIKNPHGRTJU-KRWDZBQOSA-N	408.589	3.774	50	40	HHGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)c2cccc(F)c2)c(OC)cc1Cl	100788451	UIWJJFOZHDLFFM-FOKLQQMPSA-N	407.829	3.631	50	40	HHGB	
O=C(NNc1ccccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	408613273	ZZGPLKFFNMDXPX-GOSISDBHSA-N	419.456	3.901	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1	408794249	RRAIHWSFCOZBNO-NTEUORMPSA-N	400.818	3.748	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(Br)ccc2Cl)c1	2645769	QKCIIMRYPSUNGP-UHFFFAOYSA-N	411.683	3.559	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1	59297259	KONOEBDRDDLNAL-DHDCSXOGSA-N	401.260	3.690	50	40	HHGB	
Cc1nn(C)c(C)c1/C=C1\CCCC2=C1OC(N)=C(C#N)[C@@H]2c1c(C)nn(C)c1C	2785261	SYCGEADZVNPODZ-IGEMGIOYSA-N	404.518	3.717	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	9232163	UHBRVLNCKPWQSI-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Cl	409311698	HIYGMMNYJHEBOQ-JJFYIABZSA-N	407.253	3.787	50	40	HHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccco1	408998623	BNWKBMRHZCOHKF-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
Cc1cc2nc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)[nH]c2cc1C	408541729	DCGOJTAZDCFDTJ-BOPFTXTBSA-N	403.442	3.989	50	40	HHGB	
CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1)C1CCCCC1	4180468	LPAXYLXDCLVQJS-HZHRSRAPSA-N	410.474	3.893	50	40	HHGB	
O=C(N/N=C/c1ccccc1O)C1CCN(Cc2ccc(Br)cc2)CC1	5636503	JEWDISBLGDANOT-LPYMAVHISA-N	416.319	3.517	50	40	HHGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1	6650248	IATDEFAPAOVTND-UHFFFAOYSA-N	414.465	3.852	50	40	HHGB	
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl	25257119	MPPKBPYIPCOPQU-SJKOYZFVSA-N	422.312	3.599	50	40	HHGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2OC)c1C	96669480	JXFJVSAKJWJPKM-NVNXTCNLSA-N	412.442	3.624	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1	409265138	NWOZYFFJECKOAM-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC	409318222	XTHFISVIOPAIKU-QRVIBDJDSA-N	416.861	3.532	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(F)cc1	3101627	UVMPIOLDKPHRKI-DHRITJCHSA-N	407.401	3.603	50	40	HHGB	
COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)c1	3167136	PRXBJHJFZRBIQP-SCELWYEFSA-N	420.465	3.897	50	40	HHGB	
C[C@@]1(C(=O)NN=C2C3CC4CC(C3)CC2C4)CC1(Br)Br	5696833	KQJJGRRHHCKPFV-QENMRVDCSA-N	404.146	3.811	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1	6684255	MXLFIJXVYGJBBF-FSJBWODESA-N	406.394	3.616	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)c1	8691061	OIGFPNSBGRKLAV-FSJBWODESA-N	422.397	3.563	50	40	HHGB	
CC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(OC)cc1OC	13595790	ZBYVNIUJOZFWOB-HEHNFIMWSA-N	405.292	3.939	50	40	HHGB	
COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]	30840566	GISHJJYVQKKZLZ-UCQKPKSFSA-N	405.410	3.800	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1C#N	409207463	XOMNVZZNMXRSJQ-WJRZFDRGSA-N	424.460	3.903	50	40	HHGB	
CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409221272	NUHSFIPXNUJFKE-NHDPSOOVSA-N	409.255	3.688	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OC	1205013	CSBBDQQTKZDZCF-KPKJPENVSA-N	403.232	3.718	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)c(Cl)c4)[C@H]3[C@H]1CC2	16034217	CRZZFQSJDRYLJT-VEFTVXKRSA-N	410.308	3.880	50	40	HHGB	
O=C(CCCC(=O)N/N=C/c1ccccc1Cl)N/N=C\c1ccccc1Cl	31670059	MVUGBTCJOLGFMC-SEKXJNOLSA-N	405.285	3.764	50	40	HHGB	
CCCN1CC=C2[C@@H](C1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	36042390	PDFACFCEWVRGKX-IEBWSBKVSA-N	411.431	3.841	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	38198623	CCESLMXVEZTOOM-MSXFZWOLSA-N	421.453	3.604	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532859	JZZRFUNKKNQTOF-DDQAZAJHSA-N	403.394	3.626	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(OCC)c2)cc1	408798102	UVNBLKLPCXQKHT-QGOAFFKASA-N	419.437	3.710	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc1	824611	JLZNVAVDFINRGP-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)c(C)c1	1254573	YPSQXYPLCZTDKM-INIZCTEOSA-N	408.527	3.930	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c(O)c1	4711897	SCDRGFMOEJGWRS-ZXTKPNEHSA-N	419.481	3.682	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC	4922400	AVNPVWYOJLGWMP-QGZVFWFLSA-N	407.495	3.923	50	40	HHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408609562	KFCNXXPMYDLGGW-PCLIKHOPSA-N	401.466	3.917	50	40	HHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccccc2)cc1	409365432	QSLNYYYYIVRLDW-XYGWBWBKSA-N	402.450	3.730	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1	704151	USKPHCWTUSRAPN-OAQYLSRUSA-N	402.454	3.725	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	1310549	QNZMWRULKIFAAU-VLIAUNLRSA-N	405.385	3.942	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1C	3072753	APQSXRWDWAFCQY-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1	6441035	SNINYEOSYRXRPR-SFHVURJKSA-N	408.479	3.624	50	40	HHGB	
CSCc1c(C(=O)NNC(=O)CN2CCCc3ccccc32)oc2ccccc12	6784471	IYRKFMKIPALVBK-UHFFFAOYSA-N	409.511	3.510	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1O	8515635	BRYPKJXAOALIRX-DJKKODMXSA-N	409.305	3.714	50	40	HHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1	9190158	DDLKXWOBFCJOIJ-YDZHTSKRSA-N	407.357	3.717	50	40	HHGB	
O=C(COc1ccc2nccnc2c1)NN=C(c1ccc(F)cc1)c1ccc(F)cc1	13942060	VSQILNJKXVKWHT-UHFFFAOYSA-N	418.403	3.856	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)Cc1cccc2ccccc12	100927793	KIUSBSJXBCXWOD-MFKUBSTISA-N	403.438	3.632	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	408781144	AEHVUZXWXCWSHC-CJLVFECKSA-N	421.950	3.539	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccccc1F	409233831	HYCGGRZUZAKKEM-AUWJEWJLSA-N	417.824	3.559	50	40	HHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC)c(OC)c3)c21	1026830	LNLLLODLEUZLNG-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1	2345944	RCQGWPFTQRQYOL-JOCHJYFZSA-N	413.477	3.822	50	40	HHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1	12274948	LRZLHWPYWVHUQM-DYESRHJHSA-N	412.898	3.992	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20348156	MYAGWVLRJDSCKY-MRXNPFEDSA-N	411.483	3.512	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(C)C)cc1	33468786	ODBMWKIUNJUTFZ-NHDPSOOVSA-N	418.291	3.959	50	40	HHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1C	58912902	GJXKCJHEWDYHTF-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)cc1	59166270	XHORFSZXALALKZ-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC(n2cnc3ncccc3c2=O)CC1	390831095	POEGYPBZDXZVFZ-MRXNPFEDSA-N	418.588	3.669	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cccc(OC)c2o1	408970787	KGTISWSWULSQOX-KEBDBYFISA-N	403.232	3.976	50	40	HHGB	
O=C(NNC(=O)c1cccnc1Sc1ccc(Br)cc1)c1ccco1	12777189	LVBKAWGZCKGYJO-UHFFFAOYSA-N	418.272	3.663	50	40	HHGB	
Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21	9510468	IFNYJVAAIBCGKW-FCQUAONHSA-N	420.472	3.736	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl	96663318	UVZNKSMHGNKWNH-WCIBSUBMSA-N	401.762	3.531	50	40	HHGB	
C#CCn1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cc(C)ccc21	409041515	AKUUBEYPDVBIGH-FMCGGJTJSA-N	405.527	3.541	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)c1	409261755	DHCITHJKPXSAHJ-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc(F)c1	408888948	CZMGFFACVNPBCC-MKMNVTDBSA-N	419.250	3.958	50	40	HHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)ccc1OC	409317306	OWKSJZWPUYELCH-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	408719727	PXMKCMKKTRCZCB-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
O=C(OC[C@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083809199	WZFDOVJPOHRMHS-ZXZARUISSA-N	411.918	3.791	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OC	169878262	AABFEKBTCMCBSX-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)c1	9282275	PUGDDFQVKPGVBA-HNNXBMFYSA-N	423.816	3.865	50	40	HHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OC(F)F)cc1OC	22382602	YOUPEBNGWRWJDA-UHFFFAOYSA-N	408.401	3.550	50	40	HHGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OC	409199384	CJFSOSOCADHFTO-WQRHYEAKSA-N	408.454	3.800	50	40	HHGB	
Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H](CI)C3)cc1F	2056226552	UPLKRTCSNLLIOX-CQSZACIVSA-N	417.262	3.580	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1	660450	KCKLKVXTNSMQNC-KGENOOAVSA-N	413.524	3.646	50	40	HHGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C#N)C(=O)N1	5707655	GWJALLZLTMQVDE-SUMWQHHRSA-N	403.891	3.505	50	40	HHGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1cccs1	19597266	IAWHJHFTECDIBW-SFHVURJKSA-N	419.572	3.609	50	40	HHGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409135557	ZDCARODXKOCVGB-MRXNPFEDSA-N	419.275	3.671	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(Br)c1	30900880	TYKOCVOQLPPHEG-OCKHKDLRSA-N	406.236	3.503	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1	4417978	IOYAGPUGTRMKNP-RUZDIDTESA-N	410.477	3.660	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccccc2Cl)c(OC)c1	4525799	KHJZGCYMDFSWBQ-YDZHTSKRSA-N	403.866	3.616	50	40	HHGB	
COc1cccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1	6645896	XQICAMJKJSLUDC-CVQPQMNISA-N	405.479	3.678	50	40	HHGB	
COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccc(C)cc2)c1Cl	6832188	XVIGGAGPGZOCMW-WYMPLXKRSA-N	411.893	3.713	50	40	HHGB	
COCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)sc2cccc(F)c12	17203966	SQWJHMOAJSZDLI-UHFFFAOYSA-N	416.474	3.644	50	40	HHGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc2ccccc2c1	19682656	ZEPMCDPCZOCCQF-SZXQPVLSSA-N	414.553	3.806	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(OCC)cc2)c2ccccc21	20764203	ZKCKBQBFXUGTIU-ZVHZXABRSA-N	407.470	3.675	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2	104305712	YEUKBLDBZRYIIE-TZYNXQCKSA-N	413.433	3.797	50	40	HHGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408541789	HSEGABKYXGOMQQ-ZSOIEALJSA-N	414.259	3.759	50	40	HHGB	
C/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccc(C)cc1C	408586611	CPTATBSPIHFPNZ-STZFKDTASA-N	421.282	3.860	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)ccc1O	409002700	PECWJDSXGCQWKU-XXRCXLCKSA-N	415.449	3.817	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)O	409221107	KZZPDBFZKJXYMI-LUKZVCJISA-N	411.241	3.618	50	40	HHGB	
N#CC(C(=O)COC(=O)/C=C/c1cccc(Br)c1)=C1Nc2ccccc2N1	3274565	KJFHIURKHQTKNL-CMDGGOBGSA-N	424.254	3.847	50	40	HHGB	
O=C(C1=C(O)C(=O)N(CCBr)[C@H]1c1ccccc1F)c1ccccc1	6446174	SBOYWZJHEMZNSG-INIZCTEOSA-N	404.235	3.799	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	6471559	LYHWTWOHYFIPCB-WOJGMQOQSA-N	405.526	3.683	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCC	6959557	ZBLDWIFPIJERID-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC	8812423	IRVIYTBGYIBWSZ-FOKLQQMPSA-N	422.840	3.584	50	40	HHGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc(Cl)ccc1O	28616240	OFEAMPJTQOIDJQ-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1	59302578	ARCILZZBKGIIFN-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1	85408968	MXGRQOGSPJECSL-AWEZNQCLSA-N	400.843	3.519	50	40	HHGB	
CCOC(=O)Cc1csc(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)n1	102230030	KIQPSJHZWBLOJB-ATVHPVEESA-N	417.537	3.863	50	40	HHGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1OC	408867969	LVYJQHVXSNDLRK-CXUHLZMHSA-N	400.862	3.979	50	40	HHGB	
C[C@H](Cl)C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	2365206	YSXCSOQXWSFOHR-KRWDZBQOSA-N	408.885	3.614	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1OC	12916297	KULWDJUBVJNLKM-UHFFFAOYSA-N	407.470	3.529	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC	20348325	XEVLDQOHAQCNOI-SFHVURJKSA-N	421.522	3.919	50	40	HHGB	
COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccc(C)cc1	26842585	QBSVRTQPCJMXIA-UHFFFAOYSA-N	415.386	3.827	50	40	HHGB	
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N/N=C\c1ccc(Cl)cc1	31783557	CLFMHVZJILAFQR-VROXFSQNSA-N	422.897	3.929	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)cc1	32909585	UOMXBMJGOBFGHW-FQEVSTJZSA-N	419.481	3.509	50	40	HHGB	
OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681947	HWYUEAAHUZJSMM-GSVOUGTGSA-N	404.010	3.641	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1	408587474	GFDNJQCHQIPMOK-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)o1	408588790	JRLOGTJGDHREPD-YQNSVDCASA-N	400.438	3.624	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	806472	CUPPENCVKJJUIF-OPAMFIHVSA-N	402.450	3.912	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	1888642	DEYLFPDQJWHXDB-XUMLYMLNSA-N	415.877	3.651	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cc1	4739458	BVORNFPXHSVIRO-JKJBWYPBSA-N	403.438	3.769	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2)c1	20100888	DMGZFTFUDZTXHG-PCLIKHOPSA-N	418.449	3.834	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)CCl)c3)s2)cc1	39755261	ONYBLZVCEOYXEH-UHFFFAOYSA-N	402.863	3.643	50	40	HHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccccc1	40137617	OEIGCWIOGUTDKP-DAFNUICNSA-N	419.868	3.900	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc(Br)c1	59459566	WVXGOLJBLUFQFS-ZVBGSRNCSA-N	414.181	3.557	50	40	HHGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccnc1	95481331	YFCPQCVXYLJFRM-VYIQYICTSA-N	406.445	3.916	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1Br	408569276	ZYBHUBCYTQDNKL-SRZZPIQSSA-N	405.292	3.776	50	40	HHGB	
COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccccc1	408729922	KYHQACXMKFADKO-UHFFFAOYSA-N	420.494	3.862	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC	408746774	GXXZERHNEXKMCU-ITYLOYPMSA-N	400.478	3.810	50	40	HHGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)ccc1Cl	409209741	HQMPITYIPWQVOB-RVDMUPIBSA-N	414.845	3.542	50	40	HHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	409309116	BPVQPVGOXVLDKQ-SFHVURJKSA-N	421.522	3.968	50	40	HHGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	58912437	VBOKVLWALRFOKE-SSDVNMTOSA-N	409.317	3.719	50	40	HHGB	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1cc(Br)ccc1OC(F)F	25328977	JTCFCQMXTVTOIC-OAHLLOKOSA-N	413.218	3.982	50	40	HHGB	
Cc1cccc(-c2nnc(S)n2CC(=O)NNc2ccccc2C(F)(F)F)c1	24833090	YSHTXTVGTPCVON-UHFFFAOYSA-N	407.421	3.704	50	40	HHGB	
CCCCCC(=O)NNC(=S)NC[C@H](Cl)Cc1ccc(Br)cc1	1808114	URFGERRVFKXQPX-CQSZACIVSA-N	420.804	3.675	50	40	HHGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	7159499	OOCSVXJSFCOWHU-FOWTUZBSSA-N	415.540	3.777	50	40	HHGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408967330	PYAAYKXNPDIFSI-LSHDLFTRSA-N	420.238	3.631	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1NC(=O)c1ccccc1	1101679	GJAMEDJUMMYINE-ZVHZXABRSA-N	400.438	3.999	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)cc1	15229984	YCWHIIXZXGHYLR-PKAZHMFMSA-N	416.525	3.602	50	40	HHGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1	17121569	VZFFLSATHRXQOH-UHFFFAOYSA-N	408.849	3.543	50	40	HHGB	
CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1	5417053	XAQYQRMCELVJIF-RGVLZGJSSA-N	405.248	3.537	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3[N+](=O)[O-])C3=C2C(=O)CCC3)cc1	4117188	FEJJFJUKPGYIDI-NRFANRHFSA-N	416.437	3.908	50	40	HHGB	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Br)cc2)nn1C(C)(C)C	40140081	PYQLYXJXPYQOBV-UHFFFAOYSA-N	407.312	3.599	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(F)c1	716017	HMPCZKBDXOYXEK-FQEVSTJZSA-N	406.417	3.663	50	40	HHGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)c(C)c1	969284	SUCRVEWGWOONEG-CNPYVQQSSA-N	414.303	3.569	50	40	HHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(OC(F)F)cc1	2782418	XAJFBLOADFLQDV-IFRROFPPSA-N	413.174	3.543	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)c(OCC)c1	5095406	APSBLADGTVCKCI-IBGZPJMESA-N	418.453	3.798	50	40	HHGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21	6778850	YUDNQLWBRTXGHY-RWEWTDSWSA-N	401.466	3.886	50	40	HHGB	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NN(C)c3ccccc3)cc2)c1	8172274	GMLZEFMAMKTAGM-UHFFFAOYSA-N	409.511	3.885	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(I)c2)c1	9263130	MFAIPKRPMUPQED-KPKJPENVSA-N	420.206	3.551	50	40	HHGB	
COc1cccc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1OC	20786660	PKXJXKZUWNRLLO-MFKUBSTISA-N	420.465	3.812	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(Br)cc1	33926462	DBLZJNOIPZXFDL-ATVHPVEESA-N	414.303	3.622	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1	408800600	NWQNENRCQNAABE-GXDHUFHOSA-N	400.818	3.748	50	40	HHGB	
O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	409112356	GACWKCWSKGAJRY-JJFYIABZSA-N	413.846	3.953	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl	409192286	ANHHIPVMOVPHJI-ODCIPOBUSA-N	415.660	3.963	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1cccc(F)c1	409393291	PRFWJMIXVAQUAN-MLPAPPSSSA-N	423.181	3.958	50	40	HHGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc(N)nc(Nc4ccccc4)n3)c2C)no1	25888978	QCVIUCBYKMYTBF-GZTJUZNOSA-N	412.457	3.966	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1O	58854539	ZYAXCEIEKZXXBY-QDBSGRMGSA-N	423.332	3.935	50	40	HHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Br)o1	408954004	RKDBGWGBGSPMQB-APSNUPSMSA-N	417.057	3.969	50	40	HHGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21	409244316	AZHDCALWZKFWJQ-NFBGKYEXSA-N	401.466	3.989	50	40	HHGB	
Cc1cc(C)c(C(=O)CCCC(=O)NNC(=O)c2ccc3ccccc3n2)c(C)c1	40150365	IRCHDRFYEFXLJV-UHFFFAOYSA-N	403.482	3.974	50	40	HHGB	
CC[C@@H]1S/C(=C(/C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O	2449726	NFEJPXDFKCSRDH-ODXGNSPJSA-N	409.486	3.778	50	40	HHGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	13388011	OKJWMYCFMMDSFA-IZZDOVSWSA-N	417.175	3.811	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58884642	HINMJUNBHXDARP-AUEPDCJTSA-N	413.783	3.846	50	40	HHGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333932	CXQWSMHASNNMMZ-YHYXMXQVSA-N	402.086	3.605	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	59334863	VFDPLKLDLKIULS-ODLFYWEKSA-N	421.453	3.906	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1C	408970415	HNWYWKWYFUISGO-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
CCN(CC)C(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1	409187727	UFBHSYCZYZMBHA-UYRXBGFRSA-N	408.454	3.748	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1	5512867	NPHMASOWUWZZDY-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(Cc3ccccc3)c2C)n1	8336664	JZZXHTXFHYBNBM-FSJBWODESA-N	407.543	3.802	50	40	HHGB	
Cc1cccc2sc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)c(Cl)c12	12746815	TYHXZPPUHBSECP-UHFFFAOYSA-N	402.859	3.709	50	40	HHGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	18199593	ROHNJHKVSJUYHJ-BLVKFPJESA-N	402.406	3.570	50	40	HHGB	
COP(=O)(OC)c1nc(-c2ccccc2)oc1NNC(=O)c1ccc(C)cc1	27025084	BYYJVYHCPXVXKQ-UHFFFAOYSA-N	401.359	3.518	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408998413	QHIXPMZJQXZESG-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	2328637	XCBGKLSSZSWEPH-OAHLLOKOSA-N	408.310	3.641	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	3150252	GMWDUWOFWPWGMH-LGUFXXKBSA-N	401.510	3.919	50	40	HHGB	
N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(O)cc1	5603929	SIQOSXSVRXEMBN-GPMSIDNRSA-N	400.360	3.581	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1I	408905247	VXCDVSZPYRMNGP-WQRHYEAKSA-N	409.227	3.846	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	408912636	RJQJFVDSLQRIGR-ZMOGYAJESA-N	405.454	3.873	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2ncnc(N)c12	408974180	WOZNXPQHFLSKHM-KBKYJPHKSA-N	417.494	3.925	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	409187814	UPAQECDEOFPMOX-BUVRLJJBSA-N	405.454	3.572	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1C#N	409240022	JCDJVHYVFTTYAH-DICXZTSXSA-N	417.440	3.978	50	40	HHGB	
C/C(=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccc([N+](=O)[O-])cc1	4647017	PSNVUBXIHJOLRE-XKZIYDEJSA-N	402.838	3.816	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(OC)cc3)cc2)cc1	5119550	KCKAZIFEDPSNBB-FEZYOMQXSA-N	402.454	3.914	50	40	HHGB	
Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	5539506	SIQBRVLUAGBZCO-UHFFFAOYSA-N	400.394	3.649	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1	9186679	YYTHOTIYHIGUMA-STZFKDTASA-N	424.486	3.506	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1	12734595	SZICPNWLZVZQQL-UHFFFAOYSA-N	416.421	3.506	50	40	HHGB	
COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1	33295606	HFYBQTZFGKOKKM-NVMNQCDNSA-N	412.081	3.984	50	40	HHGB	
COc1ccc(/C=C(/C#N)c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	34848229	RJHXMLZYDUJFFI-UVTDQMKNSA-N	407.411	3.771	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)c1O	59488452	ZGQQMRFTIUNWPF-WSDLNYQXSA-N	403.866	3.622	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	408861117	NKCZGDNRRMDFTK-KEBDBYFISA-N	408.863	3.736	50	40	HHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	408997331	FNHUTDGKIPKUFE-GKXUUXLPSA-N	418.837	3.576	50	40	HHGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	409140811	FXIUXFQINCXEOM-ZDUSSCGKSA-N	401.875	3.952	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC	409353215	ZEMGGJHRQXBGJI-LSHDLFTRSA-N	424.270	3.558	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OC	9204533	LGCKPDJYWLYZFA-KEBDBYFISA-N	411.683	3.813	50	40	HHGB	
N#CCOc1cccc(/C=C(\C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)c1	96297991	XTQKDFPXMYJHCF-MDWZMJQESA-N	407.227	3.652	50	40	HHGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)O)o1	107661278	HZLYXSMLQBYIKO-UUYOSTAYSA-N	409.398	3.721	50	40	HHGB	
Cc1cc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)ccc1Br	408815806	VAYFWIBOGDIIOU-XGTDKWECSA-N	420.263	3.765	50	40	HHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1	409134293	NZZVYMOGBRQQJJ-WOJBJXKFSA-N	422.506	3.545	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32	2430034	OEAFLJIYCQNYCE-VWLOTQADSA-N	415.493	3.834	50	40	HHGB	
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)C1CCCCC1	4849357	NADRWWHFQZPMOC-UHFFFAOYSA-N	401.532	3.626	50	40	HHGB	
CCCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567585	NGLVQAYPLWCNDN-AREMUKBSSA-N	424.504	3.902	50	40	HHGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccccc2)cc1	17082162	GTNVIRXTMPPIFI-MFKUBSTISA-N	401.422	3.822	50	40	HHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1OCc1ccccc1	408876282	NPMCRAQITFGBHG-MXAYSNPKSA-N	403.438	3.557	50	40	HHGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)NC1CCCC1	409188233	BXBPPVUGWBCPPP-YHYXMXQVSA-N	414.097	3.883	50	40	HHGB	
O=C(N/N=c1/scc(-c2ccc(Cl)cc2)n1C(=O)CCl)c1ccccc1	1415508	JVNXERWAOFKPHB-RELWKKBWSA-N	406.294	3.995	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	2571212	QIGMMBYMXURSOB-SNVBAGLBSA-N	414.314	3.787	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1	4671910	PEPSKSWUVDPSAJ-OABJIQBASA-N	406.482	3.866	50	40	HHGB	
C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)c1cccc(C)c1O	4690617	BBYOERCMBRQBSH-LPYMAVHISA-N	418.291	3.906	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc([C@H]3C(C#N)=C(N)Oc4cc(N)ccc43)o2)cc1	8846199	PZZQNHAEZRWQEA-OAQYLSRUSA-N	401.422	3.924	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1	408758000	FNBMRMLBQKWRKU-YDZHTSKRSA-N	415.409	3.814	50	40	HHGB	
CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccco1	409125159	CJZCVOQGFADOIN-UHFFFAOYSA-N	420.421	3.692	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c1O	4505271	QIVXEFNXRXCNPD-HEJOERNKSA-N	411.458	3.860	50	40	HHGB	
C[C@H](NC(=O)NNC(=O)c1cn(C)c2ccccc12)c1cccc(Br)c1	12545081	JIOXDQYITJJELK-LBPRGKRZSA-N	415.291	3.646	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1Br	20086117	AJJGCUROSMNIIH-INIZCTEOSA-N	408.255	3.519	50	40	HHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)ccc21	408899885	RMCILTBGUWXVGG-XYOKQWHBSA-N	401.253	3.729	50	40	HHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3)cc2)S(C)(=O)=O)cc1	409024988	JLQLWPOUWKJCDV-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1	104416679	IDQLCAWPFKIQRJ-ATVHPVEESA-N	411.437	3.630	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1	989041	QAWILWPDARGEDT-NRFANRHFSA-N	416.433	3.754	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	409358232	KUDONRXRNOYMNV-FOKLQQMPSA-N	412.377	3.565	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1cccs1	4544144	YZYQRPYVYAUQQA-LPYMAVHISA-N	410.451	3.748	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1OCc1ccc(C(=O)O)cc1	409186572	DXWDJDXGRFRCTP-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
O=C(CSc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1	2185029	LKIBNQFUDWYMMD-CIAFOILYSA-N	424.438	3.683	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)c(OC)c1	1470140	FAVUOMAXMGZOGC-FYPJQRNGSA-N	418.449	3.735	50	40	HHGB	
Cc1cc(C)cc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)c1	4944761	XHZWFWQCDGDLAA-VWLOTQADSA-N	410.477	3.715	50	40	HHGB	
CCOc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	7208076	HKUGZKQPBDQFKY-KNTRCKAVSA-N	401.470	3.567	50	40	HHGB	
CCCC/C(C)=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1	16637449	IYWCGUKJEPMIKE-PYCFMQQDSA-N	401.532	3.560	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NC[C@H]1CCCO1	408733804	ABBNSDKSPDIOMJ-INDWDQIESA-N	401.806	3.710	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)c([N+](=O)[O-])c1	408896906	OVVMXSCZPZVCML-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)cccc3C)o2)cc1	408916167	VKYDONJTISITQT-ZMOGYAJESA-N	406.438	3.879	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	408970326	GAQIFCQGWSNDML-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1O[C@@H](C)C(=O)O	409241293	SSAKJJRGPZZSPD-GVIGZQTCSA-N	400.818	3.746	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccccc1	409363050	UGFOCFQMHYZELG-VULFUBBASA-N	407.445	3.976	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	2072532	NFORNIMKOLFHPX-ZCBHOAFYSA-N	414.509	3.764	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3	3212454	TVFZNSRXNIJHPL-SSDVNMTOSA-N	409.398	3.698	50	40	HHGB	
CO[C@@H](C(=O)N/N=C(\C)c1ccc(I)cc1)c1ccccc1	4714688	PHJMIZOAJPMVRR-PUMYGXPMSA-N	408.239	3.519	50	40	HHGB	
N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	33335090	DSRDTGFYPOADAB-BOPFTXTBSA-N	417.450	3.759	50	40	HHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1	96835862	QAGHMSKWKWVZRA-MYYYXRDXSA-N	413.433	3.858	50	40	HHGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@@H]1COc2cc3ccccc3cc2O1	4724298	PRDOZQNNWMODRL-DTCDSPNGSA-N	416.433	3.914	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	408879143	FQLZOJIFFWECKA-BUVRLJJBSA-N	404.422	3.687	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)c1	409159295	SHJAYEFPZYCMFX-ZVHZXABRSA-N	406.438	3.961	50	40	HHGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O	9184170	UZTPLBWPBKWFBM-LCYFTJDESA-N	413.783	3.510	50	40	HHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccccc2)c2ccccc2)cc1	408980703	SKLTYWAXKSQOJJ-PCCDRTMGSA-N	421.522	3.555	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	408727681	VSRQIQJXSIWWAN-CIAFOILYSA-N	408.370	3.764	50	40	HHGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2N)cc1OCC	169893899	BVMPESAVYSWBDQ-UUYOSTAYSA-N	420.307	3.983	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC	5558881	JYDVFXSWUNHEQW-ZVHZXABRSA-N	415.921	3.720	50	40	HHGB	
N#CC1=C(N)OC(c2ccccc2)=C(n2cncn2)[C@H]1c1ccc(Br)cc1	15135350	FUNRAQXNUHUURG-KRWDZBQOSA-N	420.270	3.874	50	40	HHGB	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNC(=O)c1ccccc1	40128299	TYXFJBGPEOJWEC-UHFFFAOYSA-N	417.296	3.800	50	40	HHGB	
COC(=O)/C(=C/c1ccc(N(CCCl)CCCl)cc1)NC(=O)c1ccccc1	1675166	ZREIWERFWZWBLI-CYVLTUHYSA-N	421.324	3.915	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	2229928	VZLMMWVNCIIEAQ-OAQYLSRUSA-N	417.440	3.571	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	4525858	ZZZYBIGPDJLBDD-PGGKNCGUSA-N	408.767	3.929	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(F)cc1	408602271	BHLCVOMYKKDDTD-IBGZPJMESA-N	420.469	3.911	50	40	HHGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1	409219748	UONVRKKARJWNTD-WUXMJOGZSA-N	423.778	3.769	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1	2325618	BKYCXKLVBOELFU-JPVKTXQWSA-N	418.305	3.905	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCc1ccc(Cl)cc1	6180675	MTLRSZNRVGZFMC-DNTJNYDQSA-N	412.671	3.692	50	40	HHGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1c(C)nc2ccccn12	14360355	NUBGMBJXWFDJPL-FSJBWODESA-N	406.877	3.613	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31870522	VAGWLXOQQPUTRC-YXHOTNNGSA-N	414.456	3.906	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1ccc(Br)cc1	33410032	CZKOONZMOATGGU-DHDCSXOGSA-N	401.260	3.819	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	58911507	BXYHXFPZOMUSQS-FOKLQQMPSA-N	421.328	3.910	50	40	HHGB	
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1COc2cc3ccccc3cc2O1	4724294	MTNFDEWAEZNYEQ-WFRHBAKISA-N	403.394	3.703	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccc(F)cc1	5095071	GVOSEMFQKCXZFI-HXUWFJFHSA-N	406.417	3.663	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1	5737716	QENXBXSCZBZVPX-KOEQRZSOSA-N	400.482	3.698	50	40	HHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O	7384371	LKOWIOBVIYWMQV-CIAFOILYSA-N	418.291	3.527	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC	15222047	BNGMMXPCQIZIHY-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1	32577008	DUYCDUVCUIQVDE-UCQKPKSFSA-N	423.542	3.915	50	40	HHGB	
Cc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)c2C(C)C)cc1	40142932	MAILGGSCMOFKMD-UHFFFAOYSA-N	421.501	3.561	50	40	HHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1OC	40144609	VJRZKYPTIQDQSM-UHFFFAOYSA-N	416.522	3.517	50	40	HHGB	
Cc1n[nH]c(O)c1C(c1ccc(N(CCCl)CCCl)cc1)c1c(C)n[nH]c1O	108423522	OKVNEUAQBGBQKS-UHFFFAOYSA-N	424.332	3.625	50	40	HHGB	
C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl	409104790	FLDPSRSASUXSQA-SFHVURJKSA-N	415.232	3.952	50	40	HHGB	
O=C(NNc1ccc2ccccc2n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1	1405606	UZPTYZYGLNJCNE-UHFFFAOYSA-N	405.404	3.892	50	40	HHGB	
O=C1Nc2ccc(F)cc2/C1=N\NC(=O)c1cc(-c2ccccn2)nc2ccccc12	8642981	JYYWRQXUXQYEDQ-UHFFFAOYSA-N	411.396	3.522	50	40	HHGB	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)c1	8382711	RPDLTLKJVGFABD-LJQANCHMSA-N	402.454	3.929	50	40	HHGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(I)c1	408759096	XSXXKMZSWHWCLP-XYOKQWHBSA-N	419.178	3.745	50	40	HHGB	
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1	2621173	MDWSSBVGOHTKOH-HXUWFJFHSA-N	421.884	3.662	50	40	HHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)cc1	12807892	YSDBLHPGUBGRON-UHFFFAOYSA-N	406.486	3.906	50	40	HHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br	408765433	VYSQBGRTKHXERR-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)O	408796957	FGLRIEKIJZAKIA-RIYZIHGNSA-N	400.818	3.666	50	40	HHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1	409310964	XNSHIKBQSRKWBJ-IBGZPJMESA-N	422.506	3.933	50	40	HHGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCOC)c2C)cc1	408860560	YLJJIAFZSNUDRD-RCCKNPSSSA-N	423.513	3.721	50	40	HHGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)o1	409084829	QQGBOAMMILJOHK-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
COc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3c[nH]c4ccccc34)c2C)c1	32408570	ITFIJWMRKMZLDD-UHFFFAOYSA-N	402.454	3.659	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1C	950111	XMVRZWLSZUVIHH-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
O=C(NNC(=S)NC(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)cc1	6506024	URFBVEUOGVLTJV-UHFFFAOYSA-N	402.690	3.596	50	40	HHGB	
CCCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O	104246522	KAGGYOGXGBETRV-UHFFFAOYSA-N	401.507	3.629	50	40	HHGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc2c(c1)OCO2	409149598	KUSQFFZLPPBKJK-BRJLIKDPSA-N	405.454	3.918	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(OC)cc1	6581868	PBLCNVCOJKKVES-FYJGNVAPSA-N	403.276	3.715	50	40	HHGB	
O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccn1	18158211	RWJASEGLFJPFBR-SLEBQGDGSA-N	406.445	3.916	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)[nH]n1	18241821	QECJHSQWCZETQG-SRZZPIQSSA-N	413.275	3.824	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)cc1	20764435	BFMDTECGNFNHMV-MFKUBSTISA-N	419.481	3.884	50	40	HHGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	40129498	YGAQYFLPRVPYCC-HZPDHXFCSA-N	423.444	3.589	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	100814718	TVNMKWOJSULHBJ-GKCIPKSASA-N	422.319	3.961	50	40	HHGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O	106133329	BDXLULZLFMWESR-UFWORHAWSA-N	405.819	3.941	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1Br	704723	XXPRJWUROOOULZ-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1	6735315	YLWRGJXFIRDTCN-SFQUDFHCSA-N	415.287	3.698	50	40	HHGB	
N#Cc1cc2c([n+]3c1S[C@H]1CCC[C@H](I)[C@H]13)C1CCN2CC1	9327663	FSHIZWXDNSZNAI-DUVNUKRYSA-N	424.331	3.546	50	40	HHGB	
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NN(C)c3ccccc3)cc2)ccc1F	15133412	RQODZYWMDRWXAB-UHFFFAOYSA-N	413.474	3.716	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)CCC(=O)Nc2ccccc2Cl)c(OC)c1	38193487	KHJZGCYMDFSWBQ-QRVIBDJDSA-N	403.866	3.616	50	40	HHGB	
CN1C(=C(C#N)C(=O)COC(=O)c2[nH]c3ccccc3c2Cl)N(C)c2ccccc21	48272671	PUEJAFFNGSBLCX-UHFFFAOYSA-N	420.856	3.869	50	40	HHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(O)cc1	59459350	RMGAQPKAASLTRC-SRZZPIQSSA-N	403.276	3.563	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1	108041513	GTZSZDBAFVYULX-PGLVWIQMSA-N	411.502	3.555	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC	409110297	BFJXBYVJALWWIM-OMBDHMDGSA-N	402.472	3.780	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1	2076780	ZJCJCNLCTJRYAP-LEBHPONQSA-N	401.466	3.593	50	40	HHGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2c(s1)CCCC2	12753522	JDMJSVCKAPSLGA-UHFFFAOYSA-N	405.328	3.557	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1OC	5456700	XYUHLDHSPHIETE-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)CCCc1ccccc1	409366689	UWZREYHCQFABIV-ZHACJKMWSA-N	414.321	3.936	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)c1	33633374	NIYOIZVUOAMZKU-ZVHZXABRSA-N	422.437	3.904	50	40	HHGB	
COc1ccc(Br)c(/C=N/NC(=O)COc2cccc3cccnc23)c1	1425074	UFCIQOJQZAHYBU-SSDVNMTOSA-N	414.259	3.535	50	40	HHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCC1	19926262	NTIQVQNIIQEKSO-UHFFFAOYSA-N	419.934	3.972	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)n1	40145239	QRNHOCQKAHZVHP-UHFFFAOYSA-N	418.423	3.601	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O	2421333	ZBSLFOBEYFVCQJ-SFQUDFHCSA-N	403.438	3.882	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)ccc1O	4171130	OFLNBFLGCGPBHL-LAYQOTHOSA-N	418.497	3.810	50	40	HHGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1	4416826	HLICPUQXURARGO-AFUMVMLFSA-N	414.893	3.670	50	40	HHGB	
Cc1cc(Br)cc(/C=N/NC(=O)c2ccccc2Br)c1O	4815499	ZGDHCURPOKGSRK-QGMBQPNBSA-N	412.081	3.990	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1	59502242	JSLXYLGQNJNZGN-DEDYPNTBSA-N	421.282	3.901	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1	169435629	RWXPVTRALGJUQI-ZVHZXABRSA-N	420.425	3.731	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c1	408752100	FUYWZWYGWHZOFP-LCYFTJDESA-N	404.207	3.845	50	40	HHGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(-n3c(C)ccc3C)cc1)OCO2	409092117	VFFJZUXMGOAQFD-CFRMEGHHSA-N	405.454	3.985	50	40	HHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1	409226380	VOIWYLAZJLOINM-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
COc1ccccc1/C=C/C(=O)NNC(=O)COc1ccccc1-c1ccccc1	1926470	FPPYDDDMXLGMRU-FOCLMDBBSA-N	402.450	3.602	50	40	HHGB	
N#CC1=C(N)C2=CCCC[C@H]2[C@H](c2ccc(OC(=O)C(F)(F)F)cc2)C1(C#N)C#N	4730574	LQADSWHAFUBVEH-PBHICJAKSA-N	412.371	3.748	50	40	HHGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1	17118651	RIYJHUOZUBTFBP-RTBURBONSA-N	422.330	3.583	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1	20086055	ZTBSBASMRUQVMB-MRXNPFEDSA-N	408.255	3.519	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)o1	408727214	XQLGIUJFHQSPOW-RGVLZGJSSA-N	410.342	3.961	50	40	HHGB	
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1	881299	AMMKFJZZBGESAR-GFCCVEGCSA-N	418.588	3.636	50	40	HHGB	
O=C(COc1ccccc1Cl)NNC(=O)COc1ccccc1-c1ccccc1	6448384	UFGJHLSMQDJVTL-UHFFFAOYSA-N	410.857	3.612	50	40	HHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1ccc2ccccc2c1O	100090439	KVFRZOHSEOWQPA-MZJWZYIUSA-N	419.525	3.982	50	40	HHGB	
Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)ccc1Cl	6189035	DMWMTFBJUNFUNO-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
C#CCOc1c(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Br)cc1OC	408816462	WEXUOAADWNPMJI-XNTDXEJSSA-N	417.303	3.826	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)COc2c(C)cccc2C)cc1Br	408909099	CAXNXOSCCGBBSH-UFFVCSGVSA-N	421.291	3.612	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409363142	URJCLZLIKIMYKC-DHRITJCHSA-N	422.416	3.875	50	40	HHGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c1	408998957	JPKYLQTWYGPSNR-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cccnc1N1CCCCC1	40144600	STTZUFCPRMLOOQ-UHFFFAOYSA-N	421.526	3.579	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)c1	6230135	WFTQWDRJYHZUAH-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1	5701790	RFXSMSROBRIPIG-CYBMUJFWSA-N	408.527	3.933	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)cc1	1103955	ROJQKTYKPJIUHS-UDWIEESQSA-N	404.513	3.770	50	40	HHGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1	4784476	HJTSVONFCVJMKD-SQWLXVSWSA-N	405.838	3.996	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1ccc(Cl)cc1	16996227	HXEDOUCAHXQLMV-HYARGMPZSA-N	411.849	3.955	50	40	HHGB	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	96669671	AVSREDOKTPLSOU-GHXNOFRVSA-N	419.315	3.930	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2F)c2ccccc12	5007421	YRGVWPNGFPTXGN-SAPNQHFASA-N	407.445	3.529	50	40	HHGB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2	5927300	CBJKULCGSNAPIT-DEDYPNTBSA-N	406.530	3.747	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	8025944	FXGVEJGRPRKXRH-MFKUBSTISA-N	417.465	3.671	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	18116570	FLNCZXUIVBTDIU-VMTUJZNWSA-N	407.445	3.659	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1c(C)ccc(C)c1C	18209524	QKGJILLPXYUVCP-UFFVCSGVSA-N	405.292	3.912	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	19956200	SEBUTMVWFNQHHS-UHFFFAOYSA-N	417.506	3.766	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2cccs2)c1Nc1ccccc1C	408708366	PNHKKJSDJUYACV-ZMOGYAJESA-N	422.510	3.575	50	40	HHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409250740	NVKUCCFDGIHSIH-WMZJFQQLSA-N	422.275	3.773	50	40	HHGB	
CCOc1cc(/C=C/C(=O)NNC(=O)c2ccccc2F)ccc1OCC(C)C	2631773	ILBZUNLQAGTVGS-ZRDIBKRKSA-N	400.450	3.734	50	40	HHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1	813135	NYCCXYQVSSIWNQ-DZQSVEARSA-N	417.465	3.542	50	40	HHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408781644	DMFMJRRIUFQPFM-WSDLNYQXSA-N	421.950	3.688	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1	409327668	VVNBAIANRVKLLQ-OAHLLOKOSA-N	411.458	3.545	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)CCCC(=O)Nc1cccc(Br)c1	409262087	COYZABZEKZCLEU-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C	408589846	NCHZJLLYDAZSCD-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn(Cc2ccc(Br)cc2)n1	1086983	HOAVZMHJSQFNQD-FSJBWODESA-N	422.286	3.939	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(Br)o1)CO2	5642946	PYMFKGWPVKVNTK-WJHPISCYSA-N	407.264	3.630	50	40	HHGB	
N#Cc1cc2c([n+]3c1S[C@@H]1CCC[C@@H](I)[C@@H]13)C1CCN2CC1	16955610	FSHIZWXDNSZNAI-XPKDYRNWSA-N	424.331	3.546	50	40	HHGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2	100149310	RJXYTCWIBBODQL-XDHOZWIPSA-N	412.921	3.784	50	40	HHGB	
Cc1ccccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	7881483	PDLWIMNNOWRZNL-APWZRJJASA-N	417.864	3.911	50	40	HHGB	
O=C(Cc1cccs1)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9662569	IKGCEKIKLKYNMJ-UHFFFAOYSA-N	422.535	3.920	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC(=O)c3ccc(C)cc3)c2)cc1	657656	QRWGUPJPBIRVTL-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	103798158	KURBORKWOOLPAH-CDWQINNWSA-N	410.562	3.955	50	40	HHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	59436877	PMJGKVKNUOPXDT-UHFFFAOYSA-N	417.506	3.847	50	40	HHGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(Br)c1	12403486	GGUBASMEDMHVRM-UHFFFAOYSA-N	423.282	3.726	50	40	HHGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	12416264	VXUAFDAEASUKCB-DQRAZIAOSA-N	424.435	3.567	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1	3092237	QCOWDUDQYZNKRP-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	1316607	DSRDTGFYPOADAB-GZTJUZNOSA-N	417.450	3.759	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Br)c1O	1437665	QRTSBQILXGMNMT-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1sc(Nc2ccccc2)nc1Cl	10021800	BODANBPMSKHMGK-DJKKODMXSA-N	416.919	3.942	50	40	HHGB	
COc1ccc(N([C@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	20214781	XUZZKBWFZWJOCH-AAFJCEBUSA-N	423.579	3.558	50	40	HHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cccs1	4132756	AUYWXTWHCACTNO-GIDUJCDVSA-N	404.083	3.743	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(F)c1	9323113	FDTYIDCTVLORLE-DHRITJCHSA-N	418.384	3.948	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc([N+](=O)[O-])c1	409151384	AZZCQNYUBHCSTR-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OC	3177209	NXIIOTOYLLDWOI-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2)cc1	9375040	AJVZRTWXXJZSPH-OAHLLOKOSA-N	413.524	3.857	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc2c(c1)OCO2	1106798	QYNWZSSFDZRMJL-OPEKNORGSA-N	404.401	3.598	50	40	HHGB	
CCc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	6619486	IUQFBEKUFGYSPY-WGOQTCKBSA-N	410.477	3.771	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(C(=O)O)cc1	11290263	ZPDJDUNTLRTLHA-LFIBNONCSA-N	402.362	3.889	50	40	HHGB	
O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1Br	14877447	DRKDGYBQIZFEOL-UHFFFAOYSA-N	423.266	3.755	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	101300353	TVNMKWOJSULHBJ-JSNMRZPZSA-N	422.319	3.961	50	40	HHGB	
C/C(NNC(=O)c1cccs1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	112125867	RVYPKZLHFMMBQQ-CYVLTUHYSA-N	402.479	3.708	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1	137022728	ALPBNRPKAYNJPE-NTUHNPAUSA-N	402.834	3.920	50	40	HHGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	408783809	RIMWWQUNAAWHTF-GDNBJRDFSA-N	410.430	3.701	50	40	HHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC	408807585	CTVFYNSAJPWRTD-OVCLIPMQSA-N	414.259	3.530	50	40	HHGB	
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502637	DBBDLFJAWJBIMQ-GOSISDBHSA-N	417.259	3.780	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccccc2OCc2ccccc2)sc2ncnc(N)c12	408973978	SKXQCCIUJAWAKU-KBKYJPHKSA-N	417.494	3.925	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408788221	JFWMPEYZRJERLQ-NTEUORMPSA-N	400.818	3.533	50	40	HHGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2	16160679	RJXYTCWIBBODQL-UNOMPAQXSA-N	412.921	3.784	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	408789389	PMONBLXLZCUKRA-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
CC(C)N1CC=C2[C@H](C1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N	1070302	AVKYBYGHCCVSCI-HKUYNNGSSA-N	422.330	3.583	50	40	HHGB	
CN(C)c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	3263203	DQKJOYKHWNHLCO-UHFFFAOYSA-N	410.301	3.680	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(C)n1CC(C)C	6216155	PCLYRQGJRPVCEZ-CAOOACKPSA-N	414.893	3.898	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)O	12462807	AQYBOYAUWTYXMX-AUWJEWJLSA-N	400.818	3.666	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-]	14151959	MQLUCJRMEAROAS-MDWZMJQESA-N	408.439	3.961	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408606759	ATYLUFDWCPGRGH-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	408771728	BQZZOWUJAOVBCM-HKOYGPOVSA-N	423.538	3.731	50	40	HHGB	
N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)NC1CCCC1	409191829	OFGYBXNGPSSKPB-YHYXMXQVSA-N	416.646	3.616	50	40	HHGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2cccc(Br)c2)cc1	818305	YRJFSYYMFJOESE-MRXNPFEDSA-N	416.300	3.758	50	40	HHGB	
CCOC(=O)[C@@H](Br)CCCCC[C@H](Br)C(=O)OCC	1688350	ZURULWRWZPGQMA-QWRGUYRKSA-N	402.123	3.590	50	40	HHGB	
COc1ccc2ccccc2c1[C@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	4391175	RFCPOCQOZAUBTC-XUZZJYLKSA-N	423.520	3.982	50	40	HHGB	
C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc(Br)s1	5171831	QTOWHOMHZITILE-APSNUPSMSA-N	403.099	3.822	50	40	HHGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cc5ccccc5cc4O)ncnc32)cc1	7393226	JTAYRJRQPUEUNM-UHFFFAOYSA-N	410.437	3.740	50	40	HHGB	
C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)NNC(=O)c1ccccc1	9883625	XCPQFRHYEYOVTK-VIFPVBQESA-N	415.660	3.653	50	40	HHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O	13345056	VFEPHQJSMNPIAF-XYOKQWHBSA-N	401.216	3.702	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1cccc(Cl)c1	58911601	JPHXLCKQFVMWRK-YDZHTSKRSA-N	400.910	3.647	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)c(OC)c1	72231280	JFHMBFHGMNJNNJ-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	408995264	LODKWCSMUBCSCC-BRABVMKYSA-N	413.543	3.611	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@H]2C1	4312123	BMLYCPJMQOSECK-XUZZJYLKSA-N	423.520	3.984	50	40	HHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1	4565809	BEMUVNXDNUUAQJ-SRZZPIQSSA-N	403.305	3.958	50	40	HHGB	
COc1ccc(-c2nc(Nc3ccc(F)c(F)c3F)sc2CCC(=O)NN)cc1	9635669	BQTBCNKVSOTRDK-UHFFFAOYSA-N	422.432	3.902	50	40	HHGB	
COc1c(Br)cc(Cl)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409124914	BZUHKOBDHAJOJK-CQSZACIVSA-N	409.667	3.926	50	40	HHGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1	4603655	DTBBNKDJNLWQAU-UHFFFAOYSA-N	405.819	3.546	50	40	HHGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	6526112	DDASZLXMDPNSBB-IOJRYNMNSA-N	406.534	3.973	50	40	HHGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)c3cnccn3)cc2)c1	9497887	WMQQAZMOMTZJBE-UHFFFAOYSA-N	404.470	3.562	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408610972	PETPKJAOEGYLBW-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1Nc1ccccc1C	408708812	TVKQEOVZUHYQTH-BUVRLJJBSA-N	408.502	3.646	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2OC)nnc1-c1ccc(C)cc1	1237059	DRSREUSRZIXDDS-LPYMAVHISA-N	409.515	3.524	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)ccc1O	4171132	OFLNBFLGCGPBHL-NHYQUPDFSA-N	418.497	3.810	50	40	HHGB	
CC1(C)CC(=O)C([C@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl)=C(O)C1	5231345	HGTJHKNEOFSSLW-LBPRGKRZSA-N	418.210	3.537	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OCc1ccc(C(=O)OC)o1	6674795	OMGXRYQYUAHFEJ-WSDLNYQXSA-N	418.446	3.903	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)ccc1O	9015513	VTIYIKFZVQVBAV-ZVBGSRNCSA-N	405.241	3.862	50	40	HHGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	13425441	VSVUQQFFNVPJGF-SAPNQHFASA-N	401.466	3.914	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1	14921922	HVEKQJBRNBHBMO-RPPGKUMJSA-N	420.391	3.798	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O	20207985	UMIQQGGLLQSJKR-PTGBLXJZSA-N	415.559	3.621	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(Br)c1	96563324	NQVRROFDIQARBW-HNNXBMFYSA-N	407.223	3.590	50	40	HHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408870753	WTDDWOOPYMSFQJ-UCQKPKSFSA-N	405.410	3.946	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCC(=O)O	408925858	ULKHEWHFABMTHA-RIYZIHGNSA-N	400.818	3.666	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1Nc1ccccc1C	408709337	ZUVJRIGLLQQXRY-AFUMVMLFSA-N	420.444	3.975	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC	7009737	UEQODNKNFPXHOX-SSDVNMTOSA-N	420.307	3.727	50	40	HHGB	
O=C(N/N=C\c1ccc(Br)cc1)N/N=C\c1ccc(Br)cc1	31871366	HOVJSLVQBXFGGS-JZAWIKSFSA-N	424.096	3.879	50	40	HHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	59960695	NJCZLXJWTBQPFK-LSHDLFTRSA-N	406.225	3.613	50	40	HHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1ccc(C(=O)O)cc1	110215434	OXGDRSHFJPPVFW-AUWJEWJLSA-N	402.200	3.675	50	40	HHGB	
N#C/C(=C\c1cc(Br)ccc1O)c1nn(-c2ccccc2)c(N)c1C#N	408721695	XDUZIOYCWOENBE-MDWZMJQESA-N	406.243	3.858	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1O	408766057	OFTIOHXEIYTPIW-WQLSENKSSA-N	420.206	3.551	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O	409017018	DCAOCDOEYCKEEP-UKWGHVSLSA-N	403.778	3.863	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	2229926	VZLMMWVNCIIEAQ-NRFANRHFSA-N	417.440	3.571	50	40	HHGB	
O=C(N/N=C/c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	3017873	LRGKICZQBGJUJT-KKLLDSGKSA-N	414.421	3.516	50	40	HHGB	
O=C(CNc1cccc(Br)c1)N/N=C/c1ccc(Br)cc1	4711937	CODCPILSFOSAIM-DJKKODMXSA-N	411.097	3.774	50	40	HHGB	
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1COc2cc3ccccc3cc2O1	4724290	MTNFDEWAEZNYEQ-MWJFMRBISA-N	403.394	3.703	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)c1	5176168	SNOUXCJVDOUZTH-ZMOGYAJESA-N	401.422	3.740	50	40	HHGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(Br)cc1C	5379250	MWWJZNLDSCQWBD-HYARGMPZSA-N	418.291	3.657	50	40	HHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	5873422	DVTOBXRJIZNKGW-UHFFFAOYSA-N	411.502	3.563	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc(OC)c1OC	8748207	ZXFIAAGSAGNMJJ-QGZVFWFLSA-N	422.462	3.505	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)/C(=C/c1ccccc1O)NC(=O)c1ccccc1	12375877	ZGHBTMDPOLEEGM-VDWFRPMFSA-N	424.460	3.795	50	40	HHGB	
CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@H]12	19853624	HSTYGHVJFXWNTN-UCVSXLDNSA-N	410.308	3.880	50	40	HHGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)OCCCO1	408720021	VYOPFDJPBIYFML-UDWIEESQSA-N	407.264	3.702	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)cc1OC	409360429	FJZBADBPZUIWJN-OYKKKHCWSA-N	414.502	3.971	50	40	HHGB	
CN(C)c1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102618118	XCLOCVGXFJYRCW-UHFFFAOYSA-N	405.433	3.830	50	40	HHGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(F)c2F)C(C#N)=C(N)O3)cc1OC	664554	XGORPHPWGRMGEF-INIZCTEOSA-N	410.380	3.590	50	40	HHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	1311405	SBNDMDZYCGAFQT-WIYYLYMNSA-N	405.498	3.677	50	40	HHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(NC(=O)c2ccccc2)c1C	409211105	MRWKTKZCKLEJRU-UCQKPKSFSA-N	405.458	3.653	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(C)cc1	4721706	MTJNBJAHHKLDEX-MFKUBSTISA-N	403.438	3.772	50	40	HHGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408921073	COVBSBUJDKWFJR-BXDFRRGMSA-N	415.559	3.679	50	40	HHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Br)ccc1O	37020464	WUPXGOJQVLZULZ-NVMNQCDNSA-N	412.081	3.610	50	40	HHGB	
COc1ccc(C(C)=NNC(=O)CCC(=O)Nc2ccccc2Cl)c(OC)c1	254290633	KHJZGCYMDFSWBQ-UHFFFAOYSA-N	403.866	3.616	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1	4502850	ZRRFKYAAYUMJMX-MRXNPFEDSA-N	401.923	3.593	50	40	HHGB	
CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	309776479	CLAREYWIWVFFND-GOSISDBHSA-N	416.430	3.610	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1OCCCOc1ccccc1OC	4545191	JPPRHXIVOKSFQR-PXLXIMEGSA-N	402.447	3.632	50	40	HHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1	409310141	QXXWXKYUSQKQRN-KRWDZBQOSA-N	423.450	3.653	50	40	HHGB	
COc1ccccc1OCCCOc1cccc(/C=N/NC(=O)c2ccncc2)c1	9434672	UBAODVKOLUZEOR-KOEQRZSOSA-N	405.454	3.702	50	40	HHGB	
COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21	408609124	YXNDRGUNNPZWAB-IBGZPJMESA-N	417.494	3.719	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1[N+](=O)[O-]	409147357	WVCABFSOKWLSMP-VXLYETTFSA-N	422.235	3.616	50	40	HHGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1Cl	20079859	QSHSCOQCWOKFII-JLPGSUDCSA-N	419.356	3.651	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	5413990	PZHNIKHAQJSTQU-HMMYKYKNSA-N	400.482	3.907	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1Cl	19951931	KJOXWYLHHKPJCP-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	58900824	SXUMCWLFPUVIAN-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1O	408568981	XVBMUKLASDDOLR-NSIKDUERSA-N	402.191	3.941	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408904966	RFQSIRWZDDQDNZ-JMIUGGIZSA-N	422.279	3.939	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409263421	KTWWHXXOWPWEDH-FCUAXUHVSA-N	419.403	3.607	50	40	HHGB	
N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NC1CCCC1	2408170	IIRIQAPPFMSNCD-FYWRMAATSA-N	418.428	3.592	50	40	HHGB	
O=C(N/N=C/C=C\c1cccc([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1	4724083	YHHSGAWEQKDXMY-JGBIUKIASA-N	401.422	3.646	50	40	HHGB	
CCOC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(F)(F)c1ccccc1	32624792	VYJHLLUFSBPUNS-UHFFFAOYSA-N	401.369	3.753	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	59392254	WXBLEBRCDGPHDW-HZHRSRAPSA-N	408.479	3.835	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	59427800	XKFZZAIPLAAPQX-WGOQTCKBSA-N	411.461	3.870	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1O	102431116	OAPATLQDTNJYKJ-WQLSENKSSA-N	420.206	3.551	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1	408692038	BWNPJMRTVXWESF-LGJNPRDNSA-N	422.460	3.582	50	40	HHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408790252	OJAMBJXLAJOWDD-OEAKJJBVSA-N	415.559	3.850	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408866109	FRTZBQNRGJGISC-VGOFMYFVSA-N	401.806	3.618	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408941661	PYRDLWUAOIPDLR-ZOCVZFIWSA-N	409.317	3.766	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(Cl)cc1Cl	408958168	XLPJKZOMPYPYQL-QPJJXVBHSA-N	421.149	3.664	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccccc2nc1N1CCCCC1	13115796	NKZNSQLOYGHODR-OAQYLSRUSA-N	418.497	3.870	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1I	408904654	MSJYETIEOICMIA-VXLYETTFSA-N	412.202	3.593	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccccc1Cl	409221665	UNVSQFKTWNGYLA-MLPAPPSSSA-N	420.252	3.683	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc2ccccc2c1	409070282	ZRWPGJACVBBZPK-KEBDBYFISA-N	414.215	3.980	50	40	HHGB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C(C#N)=C\c1ccccc1	33632337	JVDSYXALIMGEDA-RGEXLXHISA-N	421.497	3.866	50	40	HHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1	13563686	BEMUVNXDNUUAQJ-NHDPSOOVSA-N	403.305	3.958	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1	1085732	WMNZKPYXHFAVBB-HZHRSRAPSA-N	422.558	3.571	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OS(=O)(=O)c1ccc(C)cc1	2077164	SOULLLWMUTZASJ-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNc1ccccc1	4976585	FMNGJHBREOEOOW-QINSGFPZSA-N	403.554	3.873	50	40	HHGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	6526109	DDASZLXMDPNSBB-VORNAUPZSA-N	406.534	3.973	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)c([N+](=O)[O-])c1	13546699	XSRIKSAODRDAPH-LICLKQGHSA-N	420.425	3.827	50	40	HHGB	
CCN1c2ccccc2C2=C([C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558368	QBYSIQYWFVAGSS-KRWDZBQOSA-N	413.886	3.686	50	40	HHGB	
O=C(N/N=C\c1cccc(Br)c1)C(O)(c1ccccc1)c1ccccc1	33301368	FKLYLYICJAWNEH-HAHDFKILSA-N	409.283	3.835	50	40	HHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	59369578	NOGOXLBIZTZEPG-DJKKODMXSA-N	411.097	3.774	50	40	HHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(O)cc1	102981601	DBIWQCLMDBUMNQ-HIXSDJFHSA-N	405.841	3.727	50	40	HHGB	
C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104736004	WXCFCEHMGSNMDA-QJGCXADHSA-N	406.496	3.665	50	40	HHGB	
COc1cc(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1OC	408844510	JSBYEAMSPKTDQY-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)c1	58912074	AWWXOHZPALVJJK-JVWAILMASA-N	416.525	3.520	50	40	HHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cccnc1	408791043	VFUBVBLOKNNWQY-ZWQQOSKASA-N	407.481	3.697	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1Cl	408605535	LWHIYEJJAONANQ-CQSZACIVSA-N	409.298	3.941	50	40	HHGB	
CCOC(=O)CN1CC=C(CBr)c2cc(OC)c(Br)cc21	504312453	JDRJHQZLFQDAJX-UHFFFAOYSA-N	419.113	3.619	50	40	HHGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OC	83295492	LGCBGHYKRWMOOK-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	7078403	YIHFJAISHQTWAO-FPQGOQEYSA-N	402.520	3.522	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9329993	PECTYNWEDBHKMF-IBGZPJMESA-N	422.506	3.901	50	40	HHGB	
Cc1cc(C)n2nc(S[C@H](C)C(=O)/C(C#N)=C3/Nc4ccccc4S3)nc2n1	104309372	QDUDINSPCYFDQT-JJAGWCGDSA-N	408.512	3.744	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1C	409006680	KAWMVVHFSAWQPY-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(C(=O)O)cc1	408768848	KGGFVWASAFGARD-ODLFYWEKSA-N	408.454	3.794	50	40	HHGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1	408709331	ZSNFUKDVCJQWIT-WQEJZQBCSA-N	416.909	3.847	50	40	HHGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	409252128	BWZCGCWUJAHGKH-CIAFOILYSA-N	402.838	3.816	50	40	HHGB	
CCOc1cc(C(=O)NNC(=O)Nc2cccc(C)c2)cc(OCC)c1OCC	9875933	OXVVONLQBCKVBI-UHFFFAOYSA-N	401.463	3.658	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)cc1C	58914200	OVYYKEKZJCEVNC-YUMHPJSZSA-N	416.525	3.868	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1	3030109	FGQUZGWNSTUZCF-CPGHBSSUSA-N	416.481	3.575	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc2c(c1)OCO2	59334866	PQLAEHVBLXORJO-GRSHGNNSSA-N	420.465	3.727	50	40	HHGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1cccc(-n3c(C)ccc3C)c1)OCO2	409121156	WNXCQLRNQVXDQM-CFRMEGHHSA-N	405.454	3.985	50	40	HHGB	
O=C1c2ccccc2C(=O)N1C[C@@H]1CC[C@@H](Cl)C[C@@H](CCBr)O1	952958943	SGNANNCODPJDBG-UPJWGTAASA-N	400.700	3.613	50	40	HHGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@H]2C1	33340125	YZNVIFHBOJGBEE-GMAHTHKFSA-N	409.493	3.594	50	40	HHGB	
COc1ccc(CN2CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	20348139	NZXDQQQNAXMUCT-HXUWFJFHSA-N	421.522	3.919	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccccc1	989042	QAWILWPDARGEDT-OAQYLSRUSA-N	416.433	3.754	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1C	4614129	GORRJNXYVBYSME-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1	409134287	NZZVYMOGBRQQJJ-UXHICEINSA-N	422.506	3.545	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccco2)cc(I)c1O	32189164	MBHHSPFGTBFBKN-IZZDOVSWSA-N	424.194	3.534	50	40	HHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1	409099654	RQMVTIYZYZNIDK-WSDLNYQXSA-N	418.365	3.594	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	408898567	XAEGSYLVMWRFQL-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
Cc1nc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])n[nH]1	409191229	DUTCOFAVJTVNMI-DJKKODMXSA-N	416.850	3.590	50	40	HHGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1	12292642	YMCIWJOQRCWVEI-SFHVURJKSA-N	404.466	3.656	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1C	19949318	WQOJGVGVQFWJFO-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1[N+](=O)[O-]	3089431	FDOHVDKEQKEJTD-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1Cl	100548196	SQKFRZAEOHSRQJ-FIRGSJFUSA-N	421.516	3.766	50	40	HHGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(F)cc1	6929081	AOCKIKHGMNNWNK-FOKLQQMPSA-N	400.841	3.561	50	40	HHGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1	8411455	RIYJHUOZUBTFBP-OALUTQOASA-N	422.330	3.583	50	40	HHGB	
CCCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2cc(Cl)ccc21	12530262	CCWBBPYPXMYMAI-UHFFFAOYSA-N	420.897	3.792	50	40	HHGB	
COc1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19943049	RRKVSGPFBZIILN-RPWUZVMVSA-N	421.504	3.621	50	40	HHGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	33335976	KMFDTYMVUGNXIQ-XYGWBWBKSA-N	404.466	3.995	50	40	HHGB	
CSc1nccn1-c1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	40135723	XVSBYDCEQYUVKQ-UHFFFAOYSA-N	410.543	3.572	50	40	HHGB	
CCc1c(Cc2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O	170020768	IFBYDXXDIPIBON-UHFFFAOYSA-N	418.610	3.686	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C	408589551	LVTZHXBPTXFHFQ-ZVHZXABRSA-N	405.454	3.740	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)N1CCCC1	409163680	WEWYWYVMUCCMDL-XMHGGMMESA-N	419.481	3.632	50	40	HHGB	
COc1cc(N2CCOCC2)ccc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21	409220526	BAUJBAGWSGKWCJ-ZDLGFXPLSA-N	413.481	3.540	50	40	HHGB	
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccc(C)cc1	4849359	DCTGHXWDGOMZII-UHFFFAOYSA-N	409.511	3.668	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)CSc2ccc3ccccc3c2)cc1OC	6429698	YNJGGIVNHAIJSL-UHFFFAOYSA-N	410.495	3.800	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1	12275757	XJNXMJXCTZEELR-UTKZUKDTSA-N	412.898	3.992	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2F)cc1	20499738	QPLZNFZLIYVEJN-UHFFFAOYSA-N	417.506	3.766	50	40	HHGB	
O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1	408839139	NRWJXPILVDOSHU-JYFOCSDGSA-N	411.461	3.813	50	40	HHGB	
O=C(NNc1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	408604290	HZFPZALJWUPTPN-SFHVURJKSA-N	419.456	3.901	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409378141	MMFACCOXJLRHNI-SSDVNMTOSA-N	404.854	3.881	50	40	HHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OC	409134141	MYCHAHHNHXWWQN-KRWDZBQOSA-N	419.275	3.671	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	408783026	MEBBCIXQBSHZGW-OQKWZONESA-N	401.532	3.729	50	40	HHGB	
CCc1ccc(OCCCOc2c(Cl)cc(/C=N/NC(N)=O)cc2OC)cc1	4547472	ZPGHVUJQKJYNLL-YDZHTSKRSA-N	405.882	3.761	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc(OC)c1OC	1095753	OAZXFZAIZYXQEK-BGHCKBSUSA-N	407.470	3.816	50	40	HHGB	
CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21	2303479	PZHAUYBOYNRNQB-FOWTUZBSSA-N	403.438	3.759	50	40	HHGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)cs2)cc1	7727116	TVDKFVOUNFSCHB-UHFFFAOYSA-N	415.540	3.613	50	40	HHGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc2c(c1)OCCO2	13076151	HOADTMCCXCDPTR-QPJQQBGISA-N	415.664	3.549	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1ccccc1Br	20241247	FZIQSUNEUPXQPR-LPYMAVHISA-N	417.351	3.793	50	40	HHGB	
Cc1cc(Br)ccc1-c1oc(/C=C/C(=O)NN)cc1Br	57353794	QWKGQKYSCDMOOK-HWKANZROSA-N	400.070	3.783	50	40	HHGB	
CCCn1nc(C(=O)N/N=C(\C)c2ccc3ccccc3c2O)c2ccccc2c1=O	102425954	NVVCZONRPIFEHN-MFKUBSTISA-N	414.465	3.819	50	40	HHGB	
COCCOC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12	408540744	BIVSIODRJNSEDB-CPNJWEJPSA-N	418.449	3.573	50	40	HHGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2cccc(OC)c2)cc1OC	408870272	WCDYJDUIBVKXEJ-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OCC)cc2nc1Cl	933842	VEPLBKAJDFOLSY-SFHVURJKSA-N	413.861	3.932	50	40	HHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccncc1	27026895	PKQSVCSWOYAAAB-ZVHZXABRSA-N	412.409	3.606	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1[N+](=O)[O-]	408856233	PTZSYOKILXEZON-OCKHKDLRSA-N	418.203	3.876	50	40	HHGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)c1	409006027	LEJKLJRHLGDTFU-PCLIKHOPSA-N	407.514	3.821	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1	409164848	OPXKYASXWOUIJP-LPYMAVHISA-N	407.382	3.795	50	40	HHGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	874801	FRQXZRWRMYDSTG-LJQANCHMSA-N	409.467	3.520	50	40	HHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccc(Cl)cc1	5604189	XHJHMMRODJZVOO-PGLVWIQMSA-N	408.841	3.743	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1	6146791	KQVDEPXYKTZRFE-WOJGMQOQSA-N	405.526	3.683	50	40	HHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)Cc1cccc2ccccc12	8664839	APMHELKBWUVZIS-UHFFFAOYSA-N	422.282	3.926	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)o1	408998857	VDXQAUHHSIPUCA-MFKUBSTISA-N	402.498	3.668	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)c(OC)c1	409022407	MZPNEDXCBCBKJA-MYYYXRDXSA-N	406.486	3.619	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)cc1	871086	JZUUOZFDZWVWIV-FSJBWODESA-N	407.495	3.881	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)cc1OCC	1070329	GXANOVUNSNZRJW-LJQANCHMSA-N	404.422	3.809	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]	1211308	CDNPBVOBAJVLDG-KPKJPENVSA-N	402.204	3.912	50	40	HHGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(O)c(OC)c1	3283541	PTRBDAOLMXBXHR-AWNIVKPZSA-N	402.834	3.926	50	40	HHGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	6222903	BZKKTYPAWZRVNB-HZHRSRAPSA-N	402.410	3.540	50	40	HHGB	
N[P@@](=O)(Oc1c2occc2cc2ccc(=O)oc12)N(CCCl)CCCl	6500058	VTACKYDNMSOGFM-RUZDIDTESA-N	405.174	3.764	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccccc1[N+](=O)[O-]	20238177	NGJUZMJKUJGDNL-KRWDZBQOSA-N	406.467	3.810	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3C)c2C)cc1	58912696	GHWKABYBTAZWAR-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408747062	YTBGYXIJIQCRQO-GDNBJRDFSA-N	414.845	3.836	50	40	HHGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)CC#N)c1Cl	408828000	VNASXHOEZHHYTB-ZVBGSRNCSA-N	409.229	3.870	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(I)o3)cc2c1	409186656	GCHNWHLEOBLRLO-NVMNQCDNSA-N	424.194	3.793	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccccc2)c1C	409385156	GGKOGOPFAGRVDU-ZMOGYAJESA-N	421.457	3.573	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1Cl	58912931	YUPJAFYUWMCBDR-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	408981237	VLVJNDUTPUHBSA-YALBQKEFSA-N	401.466	3.707	50	40	HHGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc(O)c(OC)c2)cc(OCC)c1OCC	4156457	RKUYPGZPDFLZPA-OEAKJJBVSA-N	416.474	3.751	50	40	HHGB	
O=C(CCc1ccccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	4119010	XLRJUNXXMKTGQP-XQNSMLJCSA-N	410.474	3.764	50	40	HHGB	
CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)c(Br)c1	6358918	ZYLCJCFEZWBVIM-UHFFFAOYSA-N	409.255	3.552	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)CCCl)c3)o2)cc1	39744980	ZUZPDRZUHYNKMU-UHFFFAOYSA-N	400.822	3.565	50	40	HHGB	
O=C(/C=C/c1ccccc1)NNC(=O)COc1ccc(OCc2ccccc2)cc1	2662448	CXGUFGCIXBVPPZ-LFIBNONCSA-N	402.450	3.505	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1Br	20086119	AJJGCUROSMNIIH-MRXNPFEDSA-N	408.255	3.519	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	101114862	ONQFTUPRHGGXRF-NTEUORMPSA-N	417.248	3.838	50	40	HHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)ccc1OC)c1ccccc1	408978746	JRRMRPPMZXQGEE-NEIHUHTASA-N	403.866	3.676	50	40	HHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1	8437680	ROPYBPIZBSRWBI-UDWIEESQSA-N	419.279	3.967	50	40	HHGB	
O=C(COc1cccc2ccccc12)NNC(=O)COc1cccc2ccccc12	4671811	PBZCVHKMMFUXOC-UHFFFAOYSA-N	400.434	3.598	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1	6922758	HWZNOPUGQRMEON-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl	9341147	KRHOVBPGBZRTSR-GRRFOWRYSA-N	406.269	3.677	50	40	HHGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2c1	409198378	FCIPEPUPSXQASL-LICLKQGHSA-N	416.433	3.809	50	40	HHGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])cc1	409223126	GORZRORMDMHCQL-QRVIBDJDSA-N	419.393	3.592	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	2166180	NTHHNIZNWVPCJM-YDZHTSKRSA-N	415.877	3.701	50	40	HHGB	
COc1cc(C(=O)N/N=C(\C)c2ccc(-n3cncn3)cc2)ccc1OCCC(C)C	8446474	IQORUCWYFVWIDU-YZSQISJMSA-N	421.501	3.855	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	58913359	DCJFUGMGVDVHFZ-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1	409272649	RFTFZRAOLQJRFG-BNHLPYHESA-N	403.404	3.771	50	40	HHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1	408721831	AAFHHLBXWTYQSO-UFFVCSGVSA-N	415.789	3.743	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1O	9259082	CBZYKQLOSVRXKN-AWQFTUOYSA-N	419.231	3.682	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1	409020772	TULYSQGUJISCRK-AFUMVMLFSA-N	421.428	3.616	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	34876073	VUAPCSBHCXBBLY-QKLQHJQFSA-N	414.387	3.884	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1	100866107	ZMPMTVNIOXRMOH-ZZIIXHQDSA-N	412.493	3.517	50	40	HHGB	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c1	664743	QGNZXMMDXMNHKI-IBGZPJMESA-N	402.454	3.929	50	40	HHGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1	12973613	ZCRSDEPOEDYAJP-UHFFFAOYSA-N	407.257	3.528	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1C	20209230	FYKHGTNVRWEVKZ-YDZHTSKRSA-N	415.559	3.652	50	40	HHGB	
N#CCCn1cc(/C=C/C(=O)NNC(=O)c2ccc3ccccc3n2)c2ccccc21	27686776	SEWYQOZIMGWRHU-ACCUITESSA-N	409.449	3.578	50	40	HHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	33333443	ZCDLIKBCWVIAGM-WOJGMQOQSA-N	404.422	3.734	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1	58884704	RMQFBDSMVKFWJY-LFVJCYFKSA-N	403.438	3.966	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1	59146860	COAXKUMRFWHISA-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(C)cc1	59720838	PWHQDZBAAOLIJL-DEDYPNTBSA-N	407.255	3.552	50	40	HHGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408804941	HNAWJLHSDWXJAB-QGOAFFKASA-N	406.438	3.982	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409000789	FYJSSOOWARZHKC-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)c2cc(OC)c(OC)cc2Br)cc1	5289186	HCJQIQLSROTATO-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1Br	9042863	OORXDTNDSJDFMU-DJKKODMXSA-N	420.288	3.841	50	40	HHGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)c1C	33600451	CLGQQCLJSKWXAY-DHDCSXOGSA-N	410.430	3.572	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	59515649	USYUQUDWSZYRRP-SSDVNMTOSA-N	422.268	3.656	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408793909	GPUJSUXTEGFISM-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C	408992695	AZGNJQMMAYLHEH-UCQKPKSFSA-N	406.442	3.704	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc(OC)c1OC	853943	ZBVPEWKGIBHLMQ-UFFVCSGVSA-N	408.907	3.749	50	40	HHGB	
CCC[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)c(OC)c1	2674524	JRDXIGLXSKWUJS-RHLNUJDMSA-N	421.291	3.861	50	40	HHGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1C1CCCCC1	4167499	UAZIEQDWJFOISJ-UHFFFAOYSA-N	421.954	3.552	50	40	HHGB	
O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)C(O)(c1ccccc1)c1ccccc1	8780829	WBILMMPQIHIMKF-LUOAPIJWSA-N	420.337	3.768	50	40	HHGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1O	14134772	UDVOBKHTFRUOLM-CIAFOILYSA-N	422.353	3.765	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(F)cc1	408602275	BHLCVOMYKKDDTD-LJQANCHMSA-N	420.469	3.911	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1	408743158	ZMOLGDKFTQRBBP-OEAKJJBVSA-N	405.458	3.832	50	40	HHGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1	409227559	ZLWWSVGDDUYRLQ-VVTYEFPJSA-N	415.405	3.978	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC	1948729	NQFVNQGROXAOGA-ZVBGSRNCSA-N	413.257	3.548	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cncc(Br)c1	2293634	WZTANKODANEIRR-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1N1CCOCC1	409199729	CYXCYYGHKCYOET-LPYMAVHISA-N	403.935	3.727	50	40	HHGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2cccc(Br)c2)cc1	818304	YRJFSYYMFJOESE-INIZCTEOSA-N	416.300	3.758	50	40	HHGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)CCC(=O)O	5696871	JQDSGLIUUVQLER-WNSKJMOJSA-N	402.535	3.647	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3cccc(C#N)c3)c2)c1	8811121	PIZYCRAFZYEKBG-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1C	9908294	VPUKZCPZMWKDRM-ODCIPOBUSA-N	419.275	3.632	50	40	HHGB	
CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSCc1cccc(Br)c1	408719458	FSPIVLXXHPPYBX-CVALACBASA-N	413.337	3.518	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccncc1	408883540	QDLPHRAVKXHLNB-JMIUGGIZSA-N	415.203	3.776	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	409368433	VNMVPOCKDYTCFP-YBFXNURJSA-N	406.236	3.910	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409007448	WMTGOIMJRAVZHR-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)Nc4c(Cl)cc(Cl)cc43)ccc21	6179807	CAGWUVZGVUGZDP-UHFFFAOYSA-N	416.268	3.758	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(O)cc3)c3ccccc32)o1	409391869	KBJAMDBPPDJDRA-WYMPLXKRSA-N	417.421	3.539	50	40	HHGB	
COc1cc(C(=O)[C@@H](Br)CBr)ccc1Br	308796951	HZPFWYOCTYVVKI-QMMMGPOBSA-N	400.892	3.799	50	40	HHGB	
Cn1c(C(=O)NNC(=O)c2ccc(Br)cc2)c(Cl)c2ccccc21	48354890	XKDJCDAAKOYOGY-UHFFFAOYSA-N	406.667	3.669	50	40	HHGB	
CCc1sc(/C=N/NC(=O)COc2ccccc2Br)cc1[N+](=O)[O-]	1085522	NXIOJPHSXHOOMA-CAOOACKPSA-N	412.265	3.510	50	40	HHGB	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NNC(=O)c1cccc(N(C)C)c1	17343886	MJPGBDACHQYUNM-UHFFFAOYSA-N	414.918	3.913	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc3cc(CC)ccc3[nH]c2=O)C(C#N)=C(N)O1	931594	AWWORJDXSUQTEH-IBGZPJMESA-N	407.470	3.515	50	40	HHGB	
COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(C)c2)=C1C#N	8968554	HYXXADLRLXWJFL-KRWDZBQOSA-N	407.495	3.714	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)c1	409384778	FKEHEWMFJYQAQS-CVKSISIWSA-N	424.545	3.643	50	40	HHGB	
O=C(N/N=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccc([N+](=O)[O-])cc1	35189319	PFYGYIDQPKBICR-AFPJDJCSSA-N	415.768	3.734	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cccc12	1316673	UFMDSTAUJNFWQA-DJKKODMXSA-N	401.220	3.911	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)cc1	2081144	GNZPWHGQAJIVED-CNRHGSOZSA-N	403.276	3.932	50	40	HHGB	
Cc1ccc(O)c(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1	4534627	DBPVPGHTKGYQCR-KAVVDJPUSA-N	405.479	3.683	50	40	HHGB	
CCCc1cc2c(=O)n([C@@H](C)C(=O)NN=C3C4CC5CC(C4)CC3C5)cnc2s1	6462347	XBDLCRVEPUIPSA-AXQFOSQISA-N	412.559	3.900	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2OC)cc1OC	6957950	RIYAWUMXHHWHKF-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccc1Cl	10647769	XUCVEHFNNWBBKK-UHFFFAOYSA-N	424.840	3.750	50	40	HHGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1OC	875688	NYRLMUSJPJIMPK-RVDMUPIBSA-N	406.467	3.903	50	40	HHGB	
CO[C@@H](C(=O)N/N=C(\C)c1cccc(I)c1)c1ccccc1	4714677	LJZJSNMZQAFTCK-PUMYGXPMSA-N	408.239	3.519	50	40	HHGB	
COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)cc1	59472528	WAUZEBDXXCFFAX-UHFFFAOYSA-N	400.438	3.944	50	40	HHGB	
COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)cc1	101601767	DQMSMJCVTOAJCT-UHFFFAOYSA-N	405.439	3.679	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)c1	408589599	MCWNKRUHXQSMGN-BRJLIKDPSA-N	404.470	3.693	50	40	HHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4cccc(OC)c4)cc3C2)cc1	408729950	LMDMFSCIUBXGIX-QFEZKATASA-N	401.466	3.988	50	40	HHGB	
N#CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	408841586	LQIDMYVQMUQGMK-SRZZPIQSSA-N	418.316	3.735	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1	409188019	WJMFPHLTSDVQMV-AQTBWJFISA-N	408.454	3.961	50	40	HHGB	
O=C1C2(c3ccccc3)CN(CCCl)CC1(c1ccccc1)CN(CCCl)C2	4551326	NGKJOKBTWZMLGQ-UHFFFAOYSA-N	417.380	3.540	50	40	HHGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4953748	NXAODJUPZGVAAZ-NTCAYCPXSA-N	403.350	3.953	50	40	HHGB	
O=C(NNC(=O)c1ccccc1OC[C@H]1CCCO1)c1cc2c(s1)CCCCC2	22873631	FRJOLKCWWAPOMF-MRXNPFEDSA-N	414.527	3.650	50	40	HHGB	
CCc1sc(C(=O)NNC(=O)c2ccccc2SCc2nc(C)no2)cc1C	25601698	HPPYWNQFEDTIBP-UHFFFAOYSA-N	416.528	3.677	50	40	HHGB	
COc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)cc2)cc1	33658744	KAFXWAMTVJPXSF-MFKUBSTISA-N	417.465	3.997	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2F)c1	33803517	RXOXYPBAQQEQSF-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)oc2ccccc12	63911441	LWMCCUCRBZNUMS-UHFFFAOYSA-N	416.352	3.522	50	40	HHGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1cccc([N+](=O)[O-])c1	73113953	WEPUVLVDJKDIHZ-BKUYFWCQSA-N	409.273	3.643	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)O	408599080	OMUDKCFWAFSJPY-FOKLQQMPSA-N	412.829	3.729	50	40	HHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1OC	408747408	NLNQBEBXNZRXGD-NVNXTCNLSA-N	401.260	3.690	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)cc1	408788517	KPGHRANWNNWDDQ-NTEUORMPSA-N	415.243	3.790	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	680390	UDMVSCUJRVJKCR-MFKUBSTISA-N	424.884	3.743	50	40	HHGB	
Cc1nnc(SCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)s1	6219060	RGRQLDONZZAZPU-UFFVCSGVSA-N	416.503	3.807	50	40	HHGB	
CCc1ccc(-c2n[nH]c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2)cc1	6505974	HUQJAOCCTDMBHO-UHFFFAOYSA-N	402.483	3.968	50	40	HHGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC	13357388	JPXMXJKXUMUJDF-MDWZMJQESA-N	400.818	3.991	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCN(Cc3ccccc3)C[C@H]2[C@H]1c1cccc(F)c1	19853197	CXZRWBBHDOVNDP-GGAORHGYSA-N	409.468	3.751	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cc(Br)c(O)cc2O)cc1	216067630	OUDGQCKTLSYUQB-RGVLZGJSSA-N	407.264	3.803	50	40	HHGB	
CCC(CC)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1	408727167	OYYAESZCSZSJAI-UHFFFAOYSA-N	405.495	3.622	50	40	HHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409215807	BBZNXBFHWZZKRF-DJKKODMXSA-N	409.851	3.508	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	409226580	UTVFVOCPSOZHRO-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Cl)ccc1O	840400	JABCVYUBVFTBII-MRVPVSSYSA-N	403.649	3.581	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1	1295161	GRQWDRVNMSPSQG-GOSISDBHSA-N	407.495	3.714	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccccc1[N+](=O)[O-]	12250904	RDYARHDZXVOEID-MRXNPFEDSA-N	410.430	3.953	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)CSc2nccn2-c2ccccc2C(C)C)cc1	21437192	IPRHAEKASHBVGC-UHFFFAOYSA-N	424.526	3.558	50	40	HHGB	
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408688110	VSSPDWDNOWXQGH-RFPOMQOQSA-N	412.283	3.863	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1Nc1ccccc1C	408708197	OOKOJGVCYUHQDB-QNPXZXJZSA-N	422.529	3.892	50	40	HHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408865604	DCAYSIGWPYGIKP-WOJGMQOQSA-N	408.454	3.501	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1	408899829	QYHNALLSBXPMKE-NYYWCZLTSA-N	401.762	3.531	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	408946638	ZERZDDDSCGUJHM-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
C[C@H](C(=O)NN=C1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029202	ZKDSUSMOORHIAU-MRXNPFEDSA-N	415.515	3.680	50	40	HHGB	
CCCCCC(=O)NNC(=S)NC[C@@H](Cl)Cc1ccc(Br)cc1	1808116	URFGERRVFKXQPX-AWEZNQCLSA-N	420.804	3.675	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	2774476	VTKDWJUKUQBKTP-PDGQHHTCSA-N	408.454	3.881	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Br)c1OC	3570370	BZVADKXSLGWWIA-NTUHNPAUSA-N	405.248	3.673	50	40	HHGB	
C/C(=N\NC(=O)CC1(C)OCCO1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	4502717	VLCAADXQYWQTLT-ZVHZXABRSA-N	415.877	3.586	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nnc1-c1ccc(C)cc1	4898921	QKXASCNZYZWTBL-PXLXIMEGSA-N	409.515	3.612	50	40	HHGB	
IC[C@H]1CNC(=[N+](Cc2ccccc2)Cc2ccccc2)S1	13478005	JIKHOSWQLCKXLL-KRWDZBQOSA-O	423.343	3.895	50	40	HHGB	
COc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1	13756875	FHJARLMXPKCCEJ-KELOHDTKSA-N	415.493	3.795	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1	20197742	OCWOLHLBCSKSCV-YBFXNURJSA-N	406.236	3.910	50	40	HHGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12	33786606	SRMRUOQRJNDMNQ-AREMUKBSSA-N	419.440	3.895	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408609048	YIPVUPXBWQXQBX-GOSISDBHSA-N	412.515	3.732	50	40	HHGB	
COc1ccc(C(=O)COC2=C(C#N)C3(CCCC3)[C@@H](C#N)C(S)=N2)cc1OC	1073572	ZBFPEBACQVVCLA-HNNXBMFYSA-N	411.483	3.680	50	40	HHGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1ccc(C)cc1	4547515	XWEIUYWXXCGBOY-AFUMVMLFSA-N	407.392	3.914	50	40	HHGB	
CCCOc1ccc2[nH]c(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)cc2c1	4673402	QCCYKFXIVXUHFI-YDZHTSKRSA-N	411.458	3.746	50	40	HHGB	
C/C(=N\NC(=O)COc1ccccc1C)c1ccc(I)cc1	408778654	JOLDXKPEEKQPIH-CPNJWEJPSA-N	408.239	3.519	50	40	HHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2o1	2248531	NSLBMCLARVGDRA-WSDLNYQXSA-N	405.483	3.873	50	40	HHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@H](O)c1ccccc1	1105607	JYFLTBYBRNBCFY-KURUZVKSSA-N	402.479	3.785	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1	3660740	WCELGPUJPJRCBV-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)Nc1cccc(Cl)c1	28214931	RFIUXIVVUDEKLK-WYMPLXKRSA-N	408.845	3.516	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1	33533996	JZZRFUNKKNQTOF-UHFVFUGDSA-N	403.394	3.626	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C	33889711	LUXQUXNOQWDXCQ-PDGQHHTCSA-N	406.442	3.594	50	40	HHGB	
C[C@@H](Oc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1)c1ccccc1	40144417	PNRIDQOJLAKWBR-MRXNPFEDSA-N	414.465	3.707	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2ccc(COc3ccc(Br)cc3)o2)n1	40145246	AMUKQVOHYRAAHL-UHFFFAOYSA-N	417.263	3.785	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)COc3ccccc3)cc2)cc1	58883255	MPZKTQSLKKQIQF-MYYYXRDXSA-N	417.465	3.542	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)c1C	108263123	YESBLBZKCNDREG-QRVIBDJDSA-N	421.409	3.643	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1	408997705	OBFWENXLIQOIIT-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2)cc1	409242683	XPBSUHQLUYSSGQ-YSMPRRRNSA-N	419.456	3.844	50	40	HHGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2OC)cc1	657736	KOVVVXJXIUIJPE-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)c1C	942745	JJJTWIVYIAMYRR-SFQUDFHCSA-N	422.466	3.638	50	40	HHGB	
COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O	2419381	ZOCBEIXUJCKRRI-DHZHZOJOSA-N	416.220	3.874	50	40	HHGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1	409225611	PYVIFIBLSRJZOY-POGMTIRKSA-N	405.366	3.571	50	40	HHGB	
COc1ccc(CC(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	12785767	FGFHEKKJTJPCOW-UHFFFAOYSA-N	410.495	3.522	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccc(Cl)c1	28214959	APAZGSNOVBALPX-ZMOGYAJESA-N	408.845	3.516	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	4644016	CRLQKFNIMJZIMF-ZVHZXABRSA-N	407.543	3.973	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)c1	409228866	GETHPADMHIUAPK-QFEZKATASA-N	407.445	3.713	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1OC	28217625	FSKMJOXFRNSSOD-AFUMVMLFSA-N	409.461	3.943	50	40	HHGB	
CC(C)c1c(C(=O)NNC(=O)c2ccccc2F)cnn1-c1ccc(Cl)cc1	40068101	INRXNVRGLMGRMY-UHFFFAOYSA-N	400.841	3.863	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1	5176898	SYLMJUMCBRERKW-UFWORHAWSA-N	410.655	3.530	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(O)c([N+](=O)[O-])c3)o2)cc1	16216748	GXIVNTCIGYVCEN-MHWRWJLKSA-N	419.393	3.792	50	40	HHGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1c(-c2ccccc2)noc1C	4402406	BGLFPAJQTDZCIN-UHFFFAOYSA-N	402.410	3.688	50	40	HHGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(OC)c1	408869090	PGFLCEKAPPAVMP-XDHOZWIPSA-N	423.513	3.782	50	40	HHGB	
COc1ccc(/C=C/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1	2098299	OLWOUHJPJBBOCC-QJRDPUHFSA-N	419.275	3.661	50	40	HHGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccn3)c3ccccc32)c1	6247661	AEUCNIDPYKPIIM-VULFUBBASA-N	412.449	3.635	50	40	HHGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	7209864	KUISXPTXDUYRSG-RVDMUPIBSA-N	407.271	3.955	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCN(Cc3ccccc3)C[C@H]2[C@@H]1c1cccc(F)c1	19853195	CXZRWBBHDOVNDP-FYYLOGMGSA-N	409.468	3.751	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)c(OCC)c2)c(C#N)c1C	408547380	VUWVKVUBGVCEGJ-OVCLIPMQSA-N	424.478	3.928	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)cc1	408910752	XZDLQOVAHWQWIT-MNQDVBFDSA-N	411.502	3.529	50	40	HHGB	
Cc1cccc(N2C(=O)c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	3195215	RLELNVPUIAAIAP-UHFFFAOYSA-N	402.362	3.923	50	40	HHGB	
COC(=O)Cn1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c2ccccc21	100207271	ICIXVCCTFJYKPV-IUXPMGMMSA-N	409.449	3.823	50	40	HHGB	
O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1cc2c(s1)CCCCC2	12768616	WNIIYXRVJPKXQP-UHFFFAOYSA-N	419.355	3.947	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)O	408792418	JXKXAMTXKCGKMN-RIYZIHGNSA-N	400.818	3.748	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)NCc1ccccc1	28215620	FNEPVKQBVQKUTJ-PCLIKHOPSA-N	402.454	3.537	50	40	HHGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc2c(c1)OCO2	409256629	MKONQWZTXCHLOE-SSDVNMTOSA-N	401.850	3.636	50	40	HHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cccc(OCc2ccccc2)c1	408874153	ZITZJYQXGUJVLN-MXAYSNPKSA-N	403.438	3.557	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)OC	408787977	HXSRPVFSKKNHBL-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(C)=O	985600	NOMCJPJAMQPFQJ-LJQANCHMSA-N	416.437	3.537	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(C)cc2)cc1OC	2758880	SGJISAOJEKLIDC-UYRXBGFRSA-N	416.481	3.668	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1OC	5745556	OEGJTEDPUHOPBJ-PCLIKHOPSA-N	418.449	3.616	50	40	HHGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1	6948340	XYOJKRYKDNNNLJ-FYJGNVAPSA-N	420.487	3.630	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(F)c3)c2C)n1	6964265	IAYYQYQKBIICGS-FOKLQQMPSA-N	411.506	3.882	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275575	IDQWDWOKXFKKPT-AUSIDOKSSA-N	422.506	3.737	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152041	GPDPZTFRCPQIBJ-NTEUORMPSA-N	407.451	3.508	50	40	HHGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	30738619	HCYLPLYCQVBAEH-NBKBGXPHSA-N	405.366	3.571	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1	33723072	IQHZFLLPRQVQTK-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc3cc([N+](=O)[O-])ccc3nc2Cl)cc1OC	408727991	HJCUTHGDUBIZGU-UFFVCSGVSA-N	414.805	3.578	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O	409243820	UTIMWNNXPKXFBV-WZUFQYTHSA-N	407.304	3.873	50	40	HHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2csc(-c3ccco3)n2)cc1OC	24842009	PXHZZEQLFZHIDS-UHFFFAOYSA-N	415.471	3.665	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3330452	KYGVGOLCXZTGHH-UHFFFAOYSA-N	412.449	3.623	50	40	HHGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1cc(Cl)ccc1Cl	12919905	YOBCFZWVXMICIJ-UHFFFAOYSA-N	409.294	3.699	50	40	HHGB	
CC/C(C)=N/NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1	408728664	QYWGLYROYVYHEF-KGENOOAVSA-N	407.923	3.822	50	40	HHGB	
O=C(NNc1ccccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	408613274	ZZGPLKFFNMDXPX-SFHVURJKSA-N	419.456	3.901	50	40	HHGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409121247	UCZNEOUERNQXLT-WGOQTCKBSA-N	419.456	3.926	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)c1	409377397	HTXKGYFAIVVILX-MTJSOVHGSA-N	416.481	3.976	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	408941135	PVLVOFADOWBKBH-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc(O)c(Cl)c3)cc2)cc1	32902320	MFGFOEFTGATWMP-UHFFFAOYSA-N	416.886	3.944	50	40	HHGB	
COc1cc(/C=C(/C#N)C(N)=O)c(Br)cc1OCc1ccccc1F	96640342	SHMQNYBTMSEKGE-MLPAPPSSSA-N	405.223	3.568	50	40	HHGB	
Cc1ccc(N2C(=O)CS/C2=N/NC(=O)CNc2cccc(Cl)c2)c(C)c1	4161699	GWSQYJGKSDXJPT-FCDQGJHFSA-N	402.907	3.536	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1	1473791	KAMQEZWGEYVXNT-YDZHTSKRSA-N	418.478	3.530	50	40	HHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	3101061	GFKGCFFFGXDEGX-BUVRLJJBSA-N	416.437	3.700	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)c1	8811037	YQDSJNREANTOCQ-BRJLIKDPSA-N	420.469	3.957	50	40	HHGB	
COc1ccc2cc([C@@H](C)C(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)ccc2c1	14245199	RCBAXGUBGVRWMS-CABCVRRESA-N	410.445	3.706	50	40	HHGB	
N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409201125	NVZOXLPFQHWQBQ-PZDOZLBDSA-N	410.477	3.763	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(OC)c1OC	3033705	CHAOLXANORTLPT-YDZHTSKRSA-N	400.475	3.539	50	40	HHGB	
O=S(=O)(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(CCCl)cc1	55638849	OFLKQAUHEYHKOF-UHFFFAOYSA-N	410.942	3.550	50	40	HHGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccccc1Oc1ccccc1	25048595	VMQQPRKMRNWNLX-UHFFFAOYSA-N	418.478	3.962	50	40	HHGB	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCC(=O)O	409211237	IICJTGUNAZFDDF-UVTDQMKNSA-N	400.818	3.748	50	40	HHGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409318175	UZVCSURONCBQDH-UUYOSTAYSA-N	404.850	3.695	50	40	HHGB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2cc(OC)ccc2n1	15974274	PDXALICVMRVRIB-IDDYBALXSA-N	414.506	3.633	50	40	HHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1	408675772	ANFHJMYKTMHIDW-LFVJCYFKSA-N	402.454	3.540	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1	33763876	HMSCNQGRGSROPK-JLPGSUDCSA-N	403.438	3.966	50	40	HHGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409261663	COULFLFCHTTZMU-VRVUXBDFSA-N	409.795	3.862	50	40	HHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)c1O	30821985	HYVUMZOHJNQGFJ-ZDXHCBJDSA-N	415.446	3.742	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	1434874	FPHOQAGLFVVNSB-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4)c(=O)c23)cc1	1784597	SLEVCVLFNWJNLD-BHGWPJFGSA-N	402.479	3.584	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc2c(cc1Br)OCO2	6191023	SOMLRDJDBRAAJT-MRXNPFEDSA-N	417.259	3.629	50	40	HHGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(Oc3ccccc3)cc2)C1=O	9306067	KRTFEVBEXVWEII-QNGOZBTKSA-N	403.438	3.630	50	40	HHGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)Cc1cccc2ccccc12	100923070	OVFZBUVQCVCUTR-YZSQISJMSA-N	402.498	3.969	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(C#N)c1C	408547426	WSFDXFVETPKEAO-MKMNVTDBSA-N	408.435	3.552	50	40	HHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	408848919	XFHZJFKYAJOOPH-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1	409021200	YZABUOZWVPVNJQ-AFUMVMLFSA-N	405.429	3.916	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(O)cc1	409038640	AITXPHVUJXKWJV-NBVRZTHBSA-N	413.433	3.955	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1O	655439	UYNXOIZIVISBBB-DJKKODMXSA-N	409.305	3.547	50	40	HHGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	7403906	XFLZLCAKYXACFU-UHFFFAOYSA-N	417.490	3.834	50	40	HHGB	
CCN(CC)Cc1cc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)ccc1OC	13071502	QLVQITFORAVZMR-PCLIKHOPSA-N	400.498	3.628	50	40	HHGB	
CC(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1	19682735	RNGXAWZOMNLVIY-MFKUBSTISA-N	412.965	3.731	50	40	HHGB	
CC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(OCCN2CCOCC2)cc1	20551576	DMYQRYGFEVNVSZ-DARPEHSRSA-N	415.921	3.595	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])o1	107940085	NPZXPKHDHLFGBC-CIAFOILYSA-N	408.370	3.764	50	40	HHGB	
CC(C)/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccccc1	408588222	IKCYHUINSIFEGF-PYCFMQQDSA-N	421.282	3.880	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccs1	408604490	JWDDFRDOTQQAPN-QGZVFWFLSA-N	408.508	3.833	50	40	HHGB	
C/C(=C/C(=O)c1ccc(Br)cc1)NNC(=O)c1ccc(N(C)C)cc1	408955732	PBNCIDVIHHFYKG-SEYXRHQNSA-N	402.292	3.536	50	40	HHGB	
CCc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	409025835	YBMRJMKQFWJNPA-UHFFFAOYSA-N	407.580	3.724	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	2440912	ITSQRZUUXZOEDY-QGZVFWFLSA-N	410.430	3.953	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1c(C)cccc1C	5953707	VYOFYSOGVRSHTD-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1	20072408	LWKAZDUAUMKJBS-UDWIEESQSA-N	419.279	3.967	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)o1	52410537	OVKFKORSURLKTJ-WYMPLXKRSA-N	414.421	3.933	50	40	HHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409336172	QUSPZQFIJYUFHD-IBGZPJMESA-N	421.522	3.968	50	40	HHGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(I)cc1	409373615	XVXACKJKGDMWQR-LFYBBSHMSA-N	420.162	3.992	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	58886694	VLBDCEYRSVTKRS-VCOZGABYSA-N	420.469	3.966	50	40	HHGB	
C[C@@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(C(F)(F)F)c1	9466658	VCEREYZGGLQWPK-GFCCVEGCSA-N	417.391	3.801	50	40	HHGB	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2cc(OC)ccc2n1	15974273	PDXALICVMRVRIB-HXCVSQATSA-N	414.506	3.633	50	40	HHGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	5724630	CTWSMUAQYKVCMU-SFHVURJKSA-N	407.817	3.961	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)C12CC3CC(CC(C3)C1)C2	11617101	VAZYKKWRQBBLQY-AWQFTUOYSA-N	422.279	3.729	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)COc2ccc3ccccc3c2Br)n1	29781542	CSLUFXIPRMMALQ-UHFFFAOYSA-N	401.264	3.531	50	40	HHGB	
O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1	1703558	IHKWLYPUGFECIL-UHFFFAOYSA-N	419.459	3.817	50	40	HHGB	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1	2726347	FQCKAYFKOSKLQB-UHFFFAOYSA-N	417.296	3.930	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1Cl	101136861	SQKFRZAEOHSRQJ-IMSYWVGJSA-N	421.516	3.766	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(Cl)c1	4156938	UBDNOFUWNUJFRJ-NNYUYHANSA-N	421.516	3.766	50	40	HHGB	
COc1ccc(/C(C)=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1	4724251	XPQTVJPHSWMNLH-STZFKDTASA-N	405.292	3.994	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccn1	43776022	CQKIBNCUAQLXNX-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	19954513	IYXMJWAJVSZPJM-HAVVHWLPSA-N	415.559	3.599	50	40	HHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	1472256	STTXNQAFXQAORV-OAQYLSRUSA-N	401.441	3.757	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(OCC)c2)C(C#N)=C(N)O3)cc1	806374	PCGIZHLQPYXSDV-IBGZPJMESA-N	418.453	3.798	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	107673297	BYJPCVDJORLCGD-ZMOGYAJESA-N	421.453	3.573	50	40	HHGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(O)cc1	2366091	FXRRSOSLRNBGGC-VULFUBBASA-N	414.465	3.877	50	40	HHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	408982456	XYKZTXUTBQQYSI-VYVDHXHBSA-N	418.291	3.777	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)NC1CCCC1	409189594	RDSCMZDGIVXMNZ-LGMDPLHJSA-N	407.445	3.809	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(Cl)c1	13838619	DAMVXEZXASDLSV-CNHKJKLMSA-N	412.627	3.789	50	40	HHGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	4525101	GOPRRYFDIIDLLA-KPKJPENVSA-N	403.232	3.718	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1	409379632	YVQHLKRNLAECTM-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1	408968334	VOFLMVGEYXHJDC-LGJNPRDNSA-N	418.428	3.655	50	40	HHGB	
COc1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1I	408747226	KRXUGOLWLVYYGW-CEGJKDKLSA-N	406.223	3.729	50	40	HHGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1	409224777	MRABQJZGZHOYFA-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1	3112593	VPIDETOZKXVSEE-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	103798155	KURBORKWOOLPAH-BUYXMCOLSA-N	410.562	3.955	50	40	HHGB	
CC(C)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	7383515	PVFNCUJGMGGTOM-INIZCTEOSA-N	412.511	3.740	50	40	HHGB	
CCOc1ccccc1-c1noc(COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)n1	98002857	KZFNNPIOJPBAAJ-LGMDPLHJSA-N	418.453	3.852	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1O	408875422	FNAKRLGLVPZWDZ-VIZOYTHASA-N	416.861	3.685	50	40	HHGB	
O=C(OC[C@@H]1O[C@@H](Br)[C@H](F)[C@H]1OC(=O)c1ccccc1)c1ccccc1	39011537	YYVZPZJEMLBIGM-VVLHAWIVSA-N	423.234	3.527	50	40	HHGB	
Cc1ccc(-c2ccc(C(=O)n3c(C)c(C(=O)NN)c4ccccc43)o2)c([N+](=O)[O-])c1	226767142	ANEBAAJIUZONFI-UHFFFAOYSA-N	418.409	3.718	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c(C)o1	98001867	ULIHICOZFIUPMQ-UDWIEESQSA-N	416.481	3.981	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1	2020910	MOQJFZJCIVJKOP-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1	2226836	WITIMXAOVDPTNJ-FCQUAONHSA-N	420.472	3.736	50	40	HHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1	941090	XAQAEECAOLFUGE-JLHYYAGUSA-N	404.207	3.845	50	40	HHGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	6477678	WSYOSOALDJCOAM-HXUWFJFHSA-N	417.534	3.652	50	40	HHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2N(C)C(C)=O)cc1	12807903	AAAIILSXPQGJLZ-UHFFFAOYSA-N	411.502	3.703	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c(C)o1	40128827	ARZWPRPZBULLGZ-UHFFFAOYSA-N	414.893	3.665	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	58911544	APKGXVJBDGQUEP-BRJLIKDPSA-N	420.435	3.622	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC	59255419	VJICXQGEFWHWTG-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1	408988383	DIBNCJUOUCXTRF-MYYYXRDXSA-N	403.482	3.882	50	40	HHGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	2134290	KEBXUTVQTGULAG-UHFFFAOYSA-N	414.676	3.827	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409263424	KTWWHXXOWPWEDH-HURLIOHXSA-N	419.403	3.607	50	40	HHGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OC	409127793	QIDBJTBXXDTZIH-INIZCTEOSA-N	419.275	3.671	50	40	HHGB	
Cc1ccccc1NC(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	2532732	SZLDRPASTRNFQE-UHFFFAOYSA-N	408.694	3.970	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O	5488090	RJJUTPRTAVKYNC-CIAFOILYSA-N	413.275	3.803	50	40	HHGB	
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	5795019	QMWVLUZXVJCTQT-IBGZPJMESA-N	410.474	3.892	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cccc(Br)c2)c1	6330026	RYDYVUOPGPOWHA-UHFFFAOYSA-N	405.292	3.721	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1OC	8278308	OUUSOKAHWNJPKA-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccccn1	9540487	QJXPHZJIBXKXKG-JJIBRWJFSA-N	422.510	3.653	50	40	HHGB	
O=C(CCc1nc2ccccc2s1)NNC(=O)CSc1cccc2cccnc12	10275589	IBDFYAWVEHAJJC-UHFFFAOYSA-N	422.535	3.717	50	40	HHGB	
CCOC(=O)c1c(NC(=O)NN=Cc2ccccc2OCC)sc(C(C)=O)c1C	15229837	VJOLUBNNOFXLMP-UHFFFAOYSA-N	417.487	3.990	50	40	HHGB	aggregator
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1	58912063	CRRWJBXQWOKCBI-CVKSISIWSA-N	422.916	3.557	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccccc2)c1C	409382378	LAWHDPCNSXMKNM-CVKSISIWSA-N	418.497	3.833	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	6033920	FXRVEZRFKQPRIR-YRUBURHZSA-N	410.857	3.882	50	40	HHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	19955233	FYOXXAVRJVULCY-BUVRLJJBSA-N	423.538	3.880	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OC	408729090	XJOWTYXDQSPHFU-CIAFOILYSA-N	421.291	3.558	50	40	HHGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408921075	COVBSBUJDKWFJR-CSUZIONRSA-N	415.559	3.679	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(F)cc2)CC1	409006665	QRBNOFWGJAXMRX-LGJNPRDNSA-N	421.394	3.847	50	40	HHGB	
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409148948	UWPZWIAKGDBTCK-KRWDZBQOSA-N	419.275	3.671	50	40	HHGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)NCCCc1ccccc1	409242264	WMEVBDIGJAMGHX-LGMDPLHJSA-N	416.262	3.947	50	40	HHGB	
Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc(C)c1Cl	4699602	JXXRPUKGZKNJJO-UHFFFAOYSA-N	412.873	3.715	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1	12275415	SZEQYJIJDDKFIU-PGRDOPGGSA-N	410.470	3.868	50	40	HHGB	
O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1Cl	40069501	VWUSSNYPAQYQHC-UHFFFAOYSA-N	423.835	3.530	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC#N	59333271	YJCLZAFGYOZEHQ-PYCFMQQDSA-N	412.493	3.573	50	40	HHGB	
CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)/C(C#N)=C/c1ccccc1	408753334	NZMGOZXEUYUUHG-XMHGGMMESA-N	422.506	3.606	50	40	HHGB	
N[P@](=O)(Oc1c2occc2cc2ccc(=O)oc12)N(CCCl)CCCl	101310324	VTACKYDNMSOGFM-VWLOTQADSA-N	405.174	3.764	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC	59534249	GNFIXMNSKAEVCX-WUXMJOGZSA-N	407.289	3.751	50	40	HHGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21	1471818	OYZHIDFZNXDUJE-JOCHJYFZSA-N	413.477	3.626	50	40	HHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1	28215268	XQCZXGXUPHFMFY-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccccc1Cl	4156946	SQKFRZAEOHSRQJ-AATLWQCWSA-N	421.516	3.766	50	40	HHGB	
COC(=O)[C@@H]1C(=O)NC(SCCCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409131207	KFIZVGCBWQNHEM-PMACEKPBSA-N	406.507	3.790	50	40	HHGB	
COc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)C=CC3=C(C#N)[C@@H](N)C2(C#N)C#N)cc1	17143922	LZZOVTTYAGCWSK-CCDWMCETSA-N	421.504	3.619	50	40	HHGB	
Cc1c(/C=N/NC(=O)COc2cccc(Br)c2)c2ccccc2n1C	704552	ZJEVOJFODSUIMB-SRZZPIQSSA-N	400.276	3.778	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1	5176901	ZHHOKDBTOMBDJJ-UFWORHAWSA-N	410.655	3.530	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1c(F)c(F)c(F)c(F)c1F	4494687	VXBZBTHUQPRTHL-VIFPVBQESA-N	404.298	3.990	50	40	HHGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cnccn1)oc1ccccc12	100544265	HDJJFVCQALYHMP-LGJNPRDNSA-N	417.425	3.519	50	40	HHGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	408854348	CXZYJMJJVXBUHC-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
C#CCn1c(C)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21	409364271	XBRKJDMLUZQWBU-ZMOGYAJESA-N	423.314	3.908	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59515434	GQKRLCSYYXMHAS-ZVBGSRNCSA-N	414.181	3.557	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1cccc(C(=O)O)c1	408846881	KMCLURZXTIAOLN-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1	409188151	WYPBVPZUXSJNIH-QFEZKATASA-N	420.465	3.699	50	40	HHGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	408976459	AVPBQINXZVWNSO-KCOUNZPASA-N	416.437	3.606	50	40	HHGB	
Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3F)c12	40128795	PHRWXPZAOQUANR-UHFFFAOYSA-N	409.465	3.586	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1	857403	QTIYGXYYLDAGHR-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
CCOc1ccc(N2C(=O)C[C@@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1	13573656	KJQBKZZIPVSDOU-LJQANCHMSA-N	418.478	3.821	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)cc1	1054280	HFYBQTZFGKOKKM-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1cccc(C)c1	4849369	QSXSHVJTIPRGGL-UHFFFAOYSA-N	409.511	3.668	50	40	HHGB	
CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3o2)c2cc(Br)ccc21	6496955	XVOXBZBUAFGILI-FXBPSFAMSA-N	412.243	3.696	50	40	HHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1	409139512	AQCNSLJZVQORAD-WGOQTCKBSA-N	420.488	3.834	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1	4502928	SVSOTSMSBORROD-HKOYGPOVSA-N	421.522	3.807	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc1	7727788	BOUYPSPAKHBAFJ-UHFFFAOYSA-N	408.451	3.625	50	40	HHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	409268197	RKSVXACWJLPFCI-CYUILNSLSA-N	408.461	3.745	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc(OC)c1OC	3277221	UQKRMDJIAUEVFR-MFKUBSTISA-N	420.465	3.909	50	40	HHGB	
CCOC(=O)C1=C(N)N(c2ccccc2)/C(=C(\C#N)c2nc3ccccc3[nH]2)S1	18128841	FWYZHYZNKNWFGD-ZHZULCJRSA-N	403.467	3.699	50	40	HHGB	
CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2OC)cc1	1781766	KJCFUZZPALAHGM-PJBLTWOLSA-N	420.465	3.885	50	40	HHGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)cc1	6788703	NTXSZOUFXBBGSX-UHFFFAOYSA-N	423.538	3.877	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)c1	1470147	AVJXAOYVLHFEQK-FYPJQRNGSA-N	418.449	3.735	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)cc1	2328043	XDIBIEONPMERBF-QGZVFWFLSA-N	422.466	3.823	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(C(=O)O)c1	6027185	ZDUOGXSJILMZFU-YVLHZVERSA-N	421.453	3.548	50	40	HHGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@@H]12	8735675	KVUHSMIOTHUGRJ-ILXRZTDVSA-N	412.448	3.859	50	40	HHGB	
Cn1c(SCC(=O)NN=C2CCCCC2)nnc1-c1cccc(Br)c1	9216623	FXPCTBMEKLNXMS-UHFFFAOYSA-N	422.352	3.773	50	40	HHGB	
C[C@H](C(=O)N/N=C\C=C\c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3	16711871	MLMGNCLXRIWOEC-BAFAOEIYSA-N	406.511	3.713	50	40	HHGB	
Cc1cc(C)cc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1	19948852	VFIHTNDUUCTPFG-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1	33749737	XTELJQMUSKCFKH-UCQKPKSFSA-N	406.442	3.704	50	40	HHGB	
COc1ccc(C2=Nc3cc(Cl)ccc3[C@H](c3ccccc3)N2CC(=O)NN)cc1	256028044	QAKOWENKVQUUTQ-QFIPXVFZSA-N	420.900	3.822	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCC(=O)O	409076035	WTNDYEWWBGVDNX-UDWIEESQSA-N	420.465	3.501	50	40	HHGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CCC2	4944752	QGEFJCMIXCWJSU-VWLOTQADSA-N	410.477	3.715	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COCC(F)(F)F	996599	YWZJAPWDTIPGEG-QGZVFWFLSA-N	408.376	3.589	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1	20197489	DZMYZZZSPAMGMZ-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
CCCCCC(=O)NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	2189960	FWAOZXQJHCMCFI-UHFFFAOYSA-N	419.407	3.756	50	40	HHGB	
Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3ccccc3O)cc2[N+](=O)[O-])n1	409116767	MHQCPEAHTWGVIH-NHDPSOOVSA-N	423.454	3.622	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408807475	CKRCQQSCYHULGB-WQLSENKSSA-N	422.197	3.985	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)c(O)c1	3068163	WLBZNIYPYFAPPO-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
CCN(Cc1cccc(CN(CC)C(=O)C(Cl)Cl)c1)C(=O)C(Cl)Cl	1614592	GOSWTRMLFMFUME-UHFFFAOYSA-N	414.160	3.991	50	40	HHGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	3234423	GLFIZZOSUIBFBT-FSJBWODESA-N	417.494	3.730	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c1	4723673	PFTPZUNUFQJGGI-FLIBITNWSA-N	408.195	3.829	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccccc1	4898796	AGPUXPNBHLNRRR-JCMHNJIXSA-N	409.515	3.606	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OCC)c1	6595637	RQBLDZNVFSHZOG-ATVHPVEESA-N	415.467	3.632	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	12944148	VLAFXZNBBPQECQ-UHFFFAOYSA-N	420.494	3.542	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1F	408879404	DFXOCBWXCUZHEI-AWNIVKPZSA-N	405.223	3.568	50	40	HHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Cl	409000150	MQVKZFUUXLMQGQ-KEBDBYFISA-N	406.895	3.698	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)cc1	409048531	RQNKMTCWQVURBV-NTEUORMPSA-N	400.818	3.748	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O	409391262	IQNIUGKTCKDBRR-IWIPYMOSSA-N	419.437	3.981	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCCC1	793055	MOGVDXMFEIYEJA-UHFFFAOYSA-N	418.471	3.687	50	40	HHGB	
Cn1c2ccccc2c2cc(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3)sc21	1405557	DJCKDWHYVFRTPK-UHFFFAOYSA-N	419.915	3.670	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N3C2)cc1	2212201	AFBYDJDPPQXSNB-SFHVURJKSA-N	407.495	3.923	50	40	HHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccccc2Cl)cc1	4247431	WOXKJWULSMJCCA-FSJBWODESA-N	409.829	3.767	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1cc(Br)ccc1F	4730460	CJABCVQXFICXRA-VIFPVBQESA-N	403.133	3.548	50	40	HHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1cc2ccccc2cc1O	12403645	OHULEDOJPMFAMS-UHFFFAOYSA-N	424.254	3.703	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1cccc([N+](=O)[O-])c1	409369425	NIYLKJVOUCFJAI-WOJGMQOQSA-N	407.426	3.712	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(O)c1	409392312	OWFYXIAZIVFSNX-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
C[C@@H](SS[C@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	1711775	XECVLZRXNQEVNJ-VXGBXAGGSA-N	412.492	3.652	50	40	HHGB	
Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1cccc(Cl)c1	2193421	BLUAQLHVDZWJFX-UFFVCSGVSA-N	403.870	3.517	50	40	HHGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1	2300517	WCXHIOXBJLOALR-QRVBRYPASA-N	419.282	3.575	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1	33768292	CVGUOCKIGZXAPD-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
CN(C)c1oc(/C=N/NC(=O)c2ccccc2Br)cc1Br	59104305	JWXMACALKZPABY-CAOOACKPSA-N	415.085	3.635	50	40	HHGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1	408707500	JVJGCZQXDCYCHQ-ZMOGYAJESA-N	416.909	3.705	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408742818	PZFRBBFCRKYAAL-LCYFTJDESA-N	404.207	3.845	50	40	HHGB	
CCOC(=O)/C(C#N)=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21	409121649	VHHLSYALXSFJCE-VLGSPTGOSA-N	411.255	3.836	50	40	HHGB	
O=C(COc1ccc2ccccc2c1Br)NNC(=O)Nc1ccccc1	671718	QVSHZJUQZPHTNM-UHFFFAOYSA-N	414.259	3.834	50	40	HHGB	aggregator
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	1439572	GNEGOVJYDYDNFM-JYRVWZFOSA-N	400.818	3.689	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(-c2ccccc2)c1Cl	2257039	NVXZNWKYSLXZGH-SFHVURJKSA-N	410.861	3.645	50	40	HHGB	
C[C@@H](C(=O)N/N=C\c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3	4482905	NVIJKZCVSKVFPP-XNIDKHOESA-N	414.918	3.702	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	40006531	FNKLXCGDPRDJSX-LDADJPATSA-N	414.889	3.987	50	40	HHGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21	208437356	FJNYGJHGHJIFDK-QRVIBDJDSA-N	408.458	3.756	50	40	HHGB	
CC1(C)O[C@H](C2SCCS2)[C@@H]2OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1	263611611	XHJRFPYLSPQHBB-LPWJVIDDSA-N	406.642	3.628	50	40	HHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	408737120	KDEWGCYUAOJYMZ-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1	408864900	AXWAXEUBZCNDME-VIZOYTHASA-N	416.861	3.598	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408905773	DQOMGNBMAGMCDR-LTNVFZTJSA-N	408.285	3.801	50	40	HHGB	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(COc2cccc3cccnc23)cc1	3251189	KDROEBLAACJVIP-VULFUBBASA-N	413.433	3.989	50	40	HHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(I)cc1	16157691	XAQAEECAOLFUGE-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
CCCOc1c(I)cc(/C=C(/C#N)C(N)=S)cc1OCC	6779029	UVTHKOATRIDCJQ-WDZFZDKYSA-N	416.284	3.672	50	40	HHGB	
CCOc1cccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c1OCc1ccccc1	706899	VBCPEYJAZGECEK-NRFANRHFSA-N	420.465	3.919	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1cccc(Br)c1	59444380	UAXXTDMJNHPVQP-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)o1	4862894	FTRFQHFSPAGRBY-WSDLNYQXSA-N	407.382	3.698	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409195612	RCEWUFFGJYFKHS-JHXRPTDYSA-N	401.426	3.760	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C(=O)O)o1	9933828	RUCQGYOSIKWRRH-WJDWOHSUSA-N	424.453	3.921	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1	33622355	JPMFOFJNEVWRHR-WDZFZDKYSA-N	418.203	3.617	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NC[C@H]1CCCO1	849968	UFCQWXLYVAUWLF-IDKBZEPQSA-N	401.260	3.911	50	40	HHGB	
CCCOc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1	10118610	ZFDZXENGDSNCHL-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cc(O)cc5ccccc45)ncnc32)cc1	40227553	LVCWYVJUCLGCDU-UHFFFAOYSA-N	410.437	3.740	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	58913747	KLBMZUMKWIDTDT-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21	408605559	MBAKYQHLFYFHDH-INIZCTEOSA-N	418.906	3.685	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)c1	409377521	HVIXYAPMRTWETB-CVKSISIWSA-N	418.497	3.833	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	58887850	RNKCYOUPGHTWBK-VCOZGABYSA-N	420.469	3.966	50	40	HHGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1	2255426	VRXASKMHGKHUKF-FQEVSTJZSA-N	416.506	3.540	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC#N	20823730	GXTHDNZLNJQXKF-MFKUBSTISA-N	402.454	3.769	50	40	HHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2ccccc2cc1OC	33871425	UZKGJBPOZHBQMR-WSDLNYQXSA-N	409.398	3.538	50	40	HHGB	
O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	40846277	CGFQDSJTZYDGAW-ROMGYVFFSA-N	419.868	3.786	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cc(Cl)ccc4Cl)[C@@H]13)[C@H]2Br	102539014	UGFFVTCPSSJBQX-ZNOWBECESA-N	405.075	3.503	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(C)C	808831	BGROTQWXDNVBQD-LJQANCHMSA-N	404.422	3.807	50	40	HHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	1896030	IBMKAJUMBOVTRO-XDJHFCHBSA-N	416.481	3.819	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1OC	408729374	DXGLFTRPCKUETR-AFUMVMLFSA-N	401.466	3.988	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1	409019379	IUFHOFDRALFUBU-OYKKKHCWSA-N	421.453	3.768	50	40	HHGB	
Cc1ccsc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1	16363155	PNPPBKIANYBMOT-STZFKDTASA-N	419.572	3.530	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	5420541	GBPDZVOIVVFEPX-ZMOGYAJESA-N	407.392	3.973	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccn2)c(OC)c1	9233732	VAFPSSFDCPJEMO-RIYZIHGNSA-N	417.259	3.902	50	40	HHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1c[nH]c2ccccc12	9996257	JPBICMCNYBNZNG-INIZCTEOSA-N	401.466	3.869	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1OC	26781486	HLTINLIHDMIKRU-FYPJQRNGSA-N	418.449	3.735	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)cc1C	58912044	YPIAYZXTUICSFR-JVWAILMASA-N	416.525	3.520	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408606766	AVYXVDPUKDAJJM-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408811578	LQUUDPCPGHDKNO-SXGWCWSVSA-N	400.862	3.979	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1	409223906	HKYAATYULINUJW-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NNC(=O)Cc1ccccc1	1360944	LYSSNFQZKGPNRJ-UHFFFAOYSA-N	407.539	3.896	50	40	HHGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3C)c2)cc1	2405523	JQDGVIRCHRWGPC-HZHRSRAPSA-N	408.479	3.835	50	40	HHGB	
Cc1occc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	4150791	TWUFJVRZNKZXAK-OMCISZLKSA-N	402.042	3.583	50	40	HHGB	
Cc1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)CCc2ccccc2)cc1Cl	4700648	ALCDYLMTUKZTFT-OAHLLOKOSA-N	415.921	3.783	50	40	HHGB	
COc1ccc([C@]2(C(F)(F)F)NC(=O)C(C#N)=C3Sc4ccccc4N32)cc1	3277628	AGPSPWLTHJNJJE-SFHVURJKSA-N	403.385	3.888	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(Br)ccc1Cl	3408785	PNYVAMGAWPRUQZ-UHFFFAOYSA-N	418.074	3.839	50	40	HHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(Br)s2)c1	4523902	YGHALBZPWXWNSS-VXLYETTFSA-N	408.321	3.996	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2oc3ccc(Br)cc3c2C)cc1	9912471	FLQRCSCUHQQVFQ-UHFFFAOYSA-N	403.232	3.587	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275581	IDQWDWOKXFKKPT-WMZHIEFXSA-N	422.506	3.737	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@@H]2C1	13471548	BMLYCPJMQOSECK-QPPBQGQZSA-N	423.520	3.984	50	40	HHGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCC)cc2)sc(C(C)=O)c1C	32675370	FEOHAGRWTLYIKC-NHDPSOOVSA-N	417.487	3.990	50	40	HHGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)c2c(c1)OCO2	47340261	OAPCZEAMIRSXEZ-UHFFFAOYSA-N	403.700	3.753	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)cc1O	59297481	SGZCGZMABQENCZ-VZUCSPMQSA-N	418.203	3.617	50	40	HHGB	
NNC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12	226366099	KBPMRAJHQQZZNV-UHFFFAOYSA-N	408.255	3.849	50	40	HHGB	
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1	8878401	XTEMHMHVJONEHX-LEWJYISDSA-N	420.490	3.507	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cc(Cl)cc(Cl)c1	20211499	WLMMOFISFNDZHV-UHFFFAOYSA-N	420.362	3.976	50	40	HHGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O	1788468	BHCFLSRTEOMQRS-VGOFMYFVSA-N	408.273	3.810	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC	4544464	WVGDYKBNIGRZQK-UOBPLZBXSA-N	422.481	3.812	50	40	HHGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1	5401381	UWUOZFMZQMKXEL-YDZHTSKRSA-N	404.861	3.988	50	40	HHGB	
CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc(OC)c3)c21	6564691	MXKNFBFKGCBFRW-SFHVURJKSA-N	418.453	3.711	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(OC)c1OC	8694827	PWAPQTUMEOMUHF-OQLLNIDSSA-N	422.466	3.880	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N3CCCCC3)cc2)c(OC)c1	408874025	YSFGDICPYGEZSO-XSFVSMFZSA-N	405.498	3.917	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1	3092188	ZJRLWJDPDFWBSF-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc(OC)c2)nnc1-c1ccccc1	4898029	DVKOZHVWWRTMGG-JCMHNJIXSA-N	409.515	3.606	50	40	HHGB	
Cc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1	6476403	LGYWDCTZIVQDPL-SFHVURJKSA-N	409.486	3.522	50	40	HHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1	3140036	WLUBYDMTZMDSMD-SRZZPIQSSA-N	405.292	3.981	50	40	HHGB	
CC1(C)CC(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC(C)(C)N1	100834651	GAGYRXAMCCECTP-MRFFXTKBSA-N	413.400	3.571	50	40	HHGB	
COc1cccc(OCCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)c1	4545193	BIXJJGZUCFDDBA-KOEQRZSOSA-N	405.454	3.702	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408609182	JONPPFVLJYYYBR-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(C(=O)NN)c2ccccc21	216934687	OPQCOWBLAKRWTP-UHFFFAOYSA-N	416.275	3.505	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	37073932	JSFDENMLQYFLML-XPAGJJBOSA-N	409.851	3.593	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1	5720867	QVHGJUZMVBTREU-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1O	4673134	JRDHSQKAKWLZHO-LDADJPATSA-N	406.438	3.852	50	40	HHGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)CSc1ccc(Cl)cc1	8191443	DWPYCSWADSMAQX-UHFFFAOYSA-N	400.887	3.812	50	40	HHGB	
COc1ccc(CN2CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	20348141	NZXDQQQNAXMUCT-FQEVSTJZSA-N	421.522	3.919	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Cl)c2)c1	59302051	LTAQIZMBCFVSAA-ZSOIEALJSA-N	400.818	3.748	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Br)c1	59515424	SVDRJZIBNNSTOP-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
CC[C@@H](c1cccc([C@@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC	220699582	QBJCTMPFQNLSMC-HDICACEKSA-N	402.636	3.508	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)c([N+](=O)[O-])c1	408532028	PKSQJERWOARKRA-FSJBWODESA-N	408.414	3.734	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2C)cc1	408740634	CQQFYZBXUNPHCA-AFUMVMLFSA-N	419.481	3.962	50	40	HHGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)COc1cccc2cccnc12	409234485	KWUVQKOIBFTSJD-WGOQTCKBSA-N	418.497	3.763	50	40	HHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	831173	SUYPSLSZGLAWPM-LOMXTUQMSA-N	407.289	3.809	50	40	HHGB	
O=C(NNC(=O)c1ccc(Cn2cnc(Cl)c2Cl)o1)c1ccc(Cl)cc1	2142577	FNAVIJJBQFUXSW-UHFFFAOYSA-N	413.648	3.559	50	40	HHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccccc3)nc12	2412415	ZJAMVXBYQVEGHZ-SAPNQHFASA-N	414.465	3.761	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1Br	6348136	WJNZXLHBGHDEJP-LICLKQGHSA-N	402.383	3.552	50	40	HHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)n1	8411257	ICTXWNDHSVNHIR-MRXNPFEDSA-N	420.523	3.865	50	40	HHGB	
CC(/C=C/c1ccco1)=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1	12362306	DDOTUJRTAFQVSY-OBVWUFOFSA-N	401.466	3.733	50	40	HHGB	
COc1cc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)ccc1OCc1ccccc1	20029479	QNSTYVAUWFHLSV-SFHVURJKSA-N	421.522	3.919	50	40	HHGB	
C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112286810	AHCGEGHKXLEGQE-PGMHBOJBSA-N	414.440	3.785	50	40	HHGB	
COc1cc(C(=O)N/N=C\c2ccc(Cl)s2)ccc1I	408965899	JQLANFQAQIABBK-APSNUPSMSA-N	420.659	3.779	50	40	HHGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	408970811	KPQBYPAPNFEUOB-WSDLNYQXSA-N	412.398	3.749	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1OCC	409321150	FGAURYUAHGLWNS-MTJSOVHGSA-N	419.275	3.882	50	40	HHGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1O	409371129	FQBZVTNYLYOJSK-NSIKDUERSA-N	402.191	3.941	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)C1=NNC(c2ccccc2)(c2ccccc2)C1	847923	AGFAUVSORVCJLP-WPWMEQJKSA-N	407.477	3.911	50	40	HHGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	4837071	LUFJNPKIHVKFGR-SFHVURJKSA-N	407.817	3.961	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)c1	6735544	QNJFCASQAGPDTF-SSDVNMTOSA-N	413.361	3.775	50	40	HHGB	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	40020210	OBBQIVAKCWIVBU-UHFFFAOYSA-N	419.412	3.929	50	40	HHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccccc1F	408817902	YRLFXRULBHOTON-GHXNOFRVSA-N	419.206	3.597	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c([N+](=O)[O-])cc1OC	409023214	YIWLFXGRQJPEMG-UKWGHVSLSA-N	403.778	3.776	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)cc1	868128	KMGSDGZJDQWZDU-GIJQJNRQSA-N	405.277	3.673	50	40	HHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	2247946	APSCGDGLKQNLQI-QFIPXVFZSA-N	412.493	3.942	50	40	HHGB	
CCOc1ccc(C(O)(C(=O)N/N=C/c2ccccc2)c2ccc(OCC)cc2)cc1	2270814	KTOVMBXXAZIIFO-NLRVBDNBSA-N	418.493	3.870	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\C=C\c1cccc([N+](=O)[O-])c1)CO2	4523709	VFPRKZBCBZVPBG-CNXOYEQSSA-N	409.442	3.848	50	40	HHGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1	5072787	WBQOKAOZOQYACB-VULFUBBASA-N	401.392	3.843	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	5728442	NQVHAGCNMLCQOU-JQFNYASXSA-N	402.454	3.878	50	40	HHGB	
N#Cc1ccc(OCc2cccc(C(=O)NNC(=S)NC3CCCCC3)c2)cc1	6925915	JUJMFMLYOCJVKY-UHFFFAOYSA-N	408.527	3.579	50	40	HHGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc2c(s1)CCCCC2	13042023	JGYXRGKOZPQJAX-UHFFFAOYSA-N	419.355	3.947	50	40	HHGB	
CCOc1ccc(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1	18163642	KQFRDXBUHDFETE-JWGURIENSA-N	401.466	3.833	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc3ccccc3nc2N2CCOCC2)c1	22089713	YWUXGXIYKSEBTF-XMHGGMMESA-N	414.465	3.626	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)c(C)c1	58912049	IHCJBZXMOHQGRB-JVWAILMASA-N	416.525	3.520	50	40	HHGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408728322	JTVVYPZZVHHRKK-WSDLNYQXSA-N	421.369	3.641	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1888630	OTYOABZZLQODGZ-MNTXUITRSA-N	415.877	3.651	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl	2257038	NVXZNWKYSLXZGH-GOSISDBHSA-N	410.861	3.645	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)cc(OC)c1OC	2616542	UNMIKFYGYAQSRH-UHFFFAOYSA-N	422.437	3.580	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1	9356904	CXDGDMRUCOTCAS-SFHVURJKSA-N	417.425	3.992	50	40	HHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)c2ccccc21	19853165	CCDUURLODCSMBE-NNSISHGFSA-N	411.509	3.683	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1	31783296	GNZBZNOVNVYTBI-AROQBVNDSA-N	408.527	3.603	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	40007448	PVJYUPXAEVDZLG-GZTJUZNOSA-N	400.862	3.597	50	40	HHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(C)c1	44068976	JWWZHAFJJDITHK-OEAKJJBVSA-N	400.475	3.502	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OC	408754536	NVVUGZJVZODSTQ-SRZZPIQSSA-N	421.291	3.937	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	806473	CUPPENCVKJJUIF-AOMKIAJQSA-N	402.450	3.912	50	40	HHGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1	2432763	YJUUIBCMFPAONX-NRFANRHFSA-N	401.441	3.871	50	40	HHGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(O)cc1	15978920	FXRRSOSLRNBGGC-WGARJPEWSA-N	414.465	3.877	50	40	HHGB	
Cn1cc(/C=N\NC(=O)c2cccc(I)c2)c2ccccc21	71335839	BGCKOQHRLTTYPR-GRSHGNNSSA-N	403.223	3.547	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	408541976	IMCKTYDWHVUYEE-WYMPLXKRSA-N	417.421	3.753	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)cc1	408744802	HILBWEAJBFHUBY-WQLSENKSSA-N	420.206	3.551	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)OC	408799373	YVDYVZZFDRTLDV-OQLLNIDSSA-N	414.845	3.836	50	40	HHGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2)cc1	408884954	WEJTWYBULDYQMV-SYOQMXFQSA-N	415.449	3.619	50	40	HHGB	
COc1ccc(O)c(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1	1445128	PBXSMAAIQWYRPP-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
Cc1ccccc1N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccc(F)cc32)C2=C1CCCC2=O	4623667	QFKHPAXOZDKQFK-DEOSSOPVSA-N	414.440	3.545	50	40	HHGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)OC(C)(C)C)c3ccccc3C2=O)cc1	6537899	DBPGSYVSEXDILD-RGEXLXHISA-N	423.469	3.643	50	40	HHGB	
C/C=C/c1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OC	12867137	TVODCKFPVJWTHN-SNAWJCMRSA-N	420.918	3.944	50	40	HHGB	
COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2Cl)c1	16136934	KSOPLNBYWSDLDW-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1cc(Br)cc(OC)c1O	65621123	KULJVKNALLYIKR-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	101733342	GFQRBRNQBJNXMV-ROMGYVFFSA-N	403.869	3.950	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)cc1	705515	LXWAFRZGRPUZHS-QFIPXVFZSA-N	415.449	3.729	50	40	HHGB	
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2ccc(Br)cc2)n1	1091978	GFBMWUJCRVXFHD-SRZZPIQSSA-N	401.239	3.597	50	40	HHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	2241151	UIQVWHHSRNRSTN-NRFANRHFSA-N	401.441	3.757	50	40	HHGB	
CC[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O	2449727	NFEJPXDFKCSRDH-ODUYVQIQSA-N	409.486	3.778	50	40	HHGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	3669033	KRWQPRPCTXUCCD-RTWAWAEBSA-N	415.518	3.793	50	40	HHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(Cl)c3)CC2)cc1C	5489487	MORKGPWKHCLPIG-RCCKNPSSSA-N	415.946	3.918	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)c1	6189189	AJMCEKZDSRZQRJ-JJIBRWJFSA-N	406.486	3.719	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1OC	6246857	JQRUAGSTAPNVRE-PCLIKHOPSA-N	417.465	3.649	50	40	HHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1	10118589	HVLKPNBKSGHJLQ-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1	103068358	GLCHLUTWPZPAAU-SSZFMOIBSA-N	401.561	3.853	50	40	HHGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1)OCO2	409065694	KLGKDSCBTRPDRP-WUXMJOGZSA-N	401.216	3.732	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409200496	HQNJPLCCGORNNM-QRVIBDJDSA-N	406.398	3.945	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409381913	OVLLFLFIULRQFN-ZVHZXABRSA-N	410.474	3.546	50	40	HHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1	103990464	OHNJTJNXNQISQR-JLMWRMLUSA-N	408.498	3.862	50	40	HHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	59445085	ULRPIOKPEDODMT-MFKUBSTISA-N	417.465	3.542	50	40	HHGB	
CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccccc3)C2=O)cc1	2213918	DOYCITCUOKIDJS-ZNCVUUBVSA-N	405.523	3.941	50	40	HHGB	
COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(C)c2)=C1C#N	8968557	HYXXADLRLXWJFL-QGZVFWFLSA-N	407.495	3.714	50	40	HHGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408905620	ZWPAPAIEYVWDKN-UCQKPKSFSA-N	417.425	3.962	50	40	HHGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	6222904	JYLIBUHYIXLZQX-HZHRSRAPSA-N	402.410	3.540	50	40	HHGB	
CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCOCC1	635347	KXSDTFMCAUIPMC-LJAQVGFWSA-N	416.389	3.583	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CN2CCc3ccccc3C2)cc1	20246307	QZYFUUWUGPHTNA-CVKSISIWSA-N	413.477	3.707	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1Oc1nc(Cl)ncc1F	20247825	JXHKDFLZSKJKCM-NUGSKGIGSA-N	416.796	3.540	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)c(Br)c1	408752404	IHLNMLJFXUACOU-NTEUORMPSA-N	415.243	3.929	50	40	HHGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(O)cc1	408840631	DTNNFHJKLRRVIK-AUEPDCJTSA-N	420.416	4.304	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(N(C)C)cc1	408967419	QNFVMCDUTHYLRF-VULFUBBASA-N	403.461	3.935	50	40	HHGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409368701	IMHKQPSBGMXYNQ-AUEPDCJTSA-N	403.269	3.587	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(O)c1	3252280	OXAPEUDSIPJJIE-OEAKJJBVSA-N	416.474	3.751	50	40	HHGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)COc1ccc(Cl)cc1Cl	9509389	QAYBMNQHFZDBPO-UHFFFAOYSA-N	417.289	3.841	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)[C@@H](Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	19994525	NDORNCNJQGKTIO-IYHCKTHZSA-N	408.389	3.743	50	40	HHGB	
Cc1c(Br)c2ccccc2n1CC(=O)NNc1ccccc1[N+](=O)[O-]	58402459	QSHBYUPSCFWFEM-UHFFFAOYSA-N	403.236	3.764	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	58913423	MWJCCHPDWAEQDV-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
CCc1sc(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)cc1Br	252481891	CUSYWUJYSXPHOU-NGYBGAFCSA-N	409.231	3.596	50	40	HHGB	
COc1cc(NC(=O)CCN(CCCl)CCCl)c2nc3ccccc3nc2c1	4726406	OQVCZEGPBBWXDM-UHFFFAOYSA-N	421.328	3.900	50	40	HHGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	58912421	LWAQLWKVMSJIKQ-SSDVNMTOSA-N	409.317	3.719	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1	2888260	MMONELUIJXKTMT-HGBKYHTQSA-N	411.914	3.821	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	9974807	DJVLWOKLXBAHPZ-WYMPLXKRSA-N	422.510	3.892	50	40	HHGB	
CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OC(CCl)CCl)cc1	1000080	AOFIFAFZYGLVDH-QISBLDNZSA-N	412.313	3.852	50	40	HHGB	
N#CC(C(=O)COC(=O)CCc1nc2ccccc2s1)=C1Nc2ccccc2N1	3274547	BQOLRYWMCSOANC-UHFFFAOYSA-N	404.451	3.614	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C	409196195	XNBAVMCQIGAOEK-BOPFTXTBSA-N	408.458	3.977	50	40	HHGB	
Cn1nc(C(=O)Nc2ccc(SC#N)cc2Br)c2ccccc2c1=O	9124815	IIBFNULELZENTB-UHFFFAOYSA-N	415.272	3.521	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)cc1	408910754	XZDLQOVAHWQWIT-SGSZHJQISA-N	411.502	3.529	50	40	HHGB	
CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2C#N)C2=C1CCCC2=O	409142659	ARIDQOVRXFDZMI-HSZRJFAPSA-N	410.477	3.867	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br	409331962	IVGHORNIZPFSLV-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1nn(-c2ccccc2)c(N)c1C#N	408950818	UHPYXFMBCRMHON-ZSOIEALJSA-N	419.828	3.507	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)o1	409364667	OJWKORFVISESKX-WYMPLXKRSA-N	411.845	3.949	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	33771694	ODJJMAKVSHVOCW-MSXFZWOLSA-N	418.453	3.545	50	40	HHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc2ccccc12	20064458	BDEUDPVCYGBVCA-WGOQTCKBSA-N	420.944	3.761	50	40	HHGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NC[C@H]1CCCO1	876150	RIEDNYOYMHLQGN-FNUHDPNESA-N	410.477	3.763	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N3C2)cc1	2212203	AFBYDJDPPQXSNB-GOSISDBHSA-N	407.495	3.923	50	40	HHGB	
O=C(N/N=C/c1ccccc1Br)C1(O)c2ccccc2-c2ccccc21	2217996	BPLXRLCLHRMVED-YDZHTSKRSA-N	407.267	3.816	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)c1	4677103	KILXTOANWOIDGQ-YDZHTSKRSA-N	403.866	3.800	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1	6101732	VEBKKSHWZXNVKT-HZHRSRAPSA-N	423.494	3.568	50	40	HHGB	
CCc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	8083954	YXFMQHNGMXBSQC-BFTVFPACSA-N	414.303	3.515	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)cc1	12413339	HBHIAQBLAMXUJL-AREMUKBSSA-N	424.504	3.969	50	40	HHGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	58912420	QIVMRCHFYNWSCR-SSDVNMTOSA-N	409.317	3.719	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc(F)c1	409242135	MOAOVCRQKWUIES-NSIKDUERSA-N	417.824	3.559	50	40	HHGB	
COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)c1	818317	WGKYDRGVIVYOKD-QGZVFWFLSA-N	401.875	3.657	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	1055570	SAGMVTHMZZKBSA-HZHRSRAPSA-N	412.409	3.606	50	40	HHGB	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccc(Br)cc1	9632132	KHKURJFANJQPMM-UHFFFAOYSA-N	416.300	3.576	50	40	HHGB	
CC(C)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	32576985	BGEDTDJORCKTPZ-MYYYXRDXSA-N	412.965	3.731	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1O	58854457	SQOLEGZUJSHDHI-DJKKODMXSA-N	409.305	3.547	50	40	HHGB	
C/C(=N\NC(=O)CSc1ccccc1)c1ccc(I)cc1	408774112	AUAKXWYOOTVORI-LDADJPATSA-N	410.280	3.924	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409006327	NDONKIFUIFNYKD-BUVRLJJBSA-N	413.905	3.741	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c(OC)c1	704150	USKPHCWTUSRAPN-NRFANRHFSA-N	402.454	3.725	50	40	HHGB	
CC(=O)N/N=C/c1cn(CCOc2ccc(Br)cc2)c2ccccc12	4083362	TZVNOOCKPLMOGJ-CIAFOILYSA-N	400.276	3.953	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	4155991	CMOMEHHJLHOTNA-PRMNVEQPSA-N	413.257	3.634	50	40	HHGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(Cl)c1	14134310	JAEPNNBHNJROQM-DJKKODMXSA-N	413.646	3.507	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408610973	PETPKJAOEGYLBW-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409038669	ANIHHDJBEVRWNV-LPYMAVHISA-N	407.382	3.636	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNC2CCCCC2)c1C	409378803	RSFBWINVTODTBH-CVKSISIWSA-N	424.545	3.643	50	40	HHGB	
O=C(COc1ccccc1Cn1cnc(Cl)c1Cl)N/N=C\c1cccs1	4695167	HDPULINPOPXYIO-WNFQYIGGSA-N	409.298	3.829	50	40	HHGB	
Cc1cc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1	7467334	LILQYHXUZCMJFR-HDZGYNCQSA-N	412.490	3.925	50	40	HHGB	
Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O	13943713	XZJFJPOGILQHIY-QRVIBDJDSA-N	405.410	3.805	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1	20215642	SYEOQKZNOFSNDW-YZSQISJMSA-N	400.526	3.905	50	40	HHGB	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNC(=O)c1ccoc1C	40128899	MUMSVPPMZNMZOK-UHFFFAOYSA-N	421.284	3.701	50	40	HHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc3ccccc23)c(OC)c1	100927741	QNXHGPSXYPFRTH-MFKUBSTISA-N	405.454	3.992	50	40	HHGB	
NNC(=O)c1ccc(OCc2cccc3ccccc23)c(I)c1	226325456	HTILTKMJMSAFFU-UHFFFAOYSA-N	418.234	3.627	50	40	HHGB	
O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409387551	RMJMUMUQKBCZNE-ZVHZXABRSA-N	404.426	3.736	50	40	HHGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1cccnc1	5571911	ZRUCONJKRRVODZ-WGOQTCKBSA-N	410.433	3.855	50	40	HHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1	6651479	FPIRKVCJPNQJHQ-HNNXBMFYSA-N	408.429	3.557	50	40	HHGB	
C[C@@H]1S/C(=N\NC(=O)CNc2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O	12708502	RBIJVMCICMEKBR-MWKJEFNHSA-N	423.325	3.961	50	40	HHGB	
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1	15435491	LEFBSBWERMVOPE-QGZVFWFLSA-N	422.312	3.599	50	40	HHGB	
O=C(NNC(=O)c1cccc2cccnc12)c1cc(-c2cccnc2)nc2ccccc12	15516868	RFEMWOZHVVGRNN-UHFFFAOYSA-N	419.444	3.920	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	38187375	GMWDUWOFWPWGMH-XHPQRKPJSA-N	401.510	3.919	50	40	HHGB	
CCOc1ccc(O[C@H](C)C(=O)N/N=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1	40073240	GFZYQOLYXDAOJL-SNVBAGLBSA-N	422.268	3.632	50	40	HHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)O)c(Cl)c1	100223201	LPANKCMNOHEJLB-ACAGNQJTSA-N	406.829	3.812	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	408984345	HATXUBJAPRIPGV-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1	409004422	CTSVAJUUJPDTRZ-BUVRLJJBSA-N	413.905	3.741	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	409392742	ROUPMHAKIQNRPL-ONUIUJJFSA-N	416.477	3.911	50	40	HHGB	
Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(C)cc43)C3=C2CCCC3=O)cc1	4944757	PDYZTJWEBZQQBG-VWLOTQADSA-N	410.477	3.715	50	40	HHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	2241152	UIQVWHHSRNRSTN-OAQYLSRUSA-N	401.441	3.757	50	40	HHGB	
C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1occc1C	3302277	XVTLUOXCAAMQJR-UHFFFAOYSA-N	418.482	3.967	50	40	HHGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1nccs1	8517818	VJEWECRTGFJONB-WQRHYEAKSA-N	412.478	3.996	50	40	HHGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1F	408950225	GQGAEOPRRCUVMM-YDZHTSKRSA-N	407.357	3.717	50	40	HHGB	
C/C(=N\NC(=O)CN1CCCCC1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408719323	BREGCFWPGBDZOK-PCLIKHOPSA-N	412.921	3.918	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408961795	NVMMPQFSLKWSAK-CIAFOILYSA-N	419.353	3.804	50	40	HHGB	
Cc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1	6476425	LNOPGGJEQFDQBK-LJQANCHMSA-N	405.523	3.692	50	40	HHGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2)cc1	6966024	VPLCOOJKJIYNPF-LGJNPRDNSA-N	417.465	3.865	50	40	HHGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	8300909	BYDBFHATMPFIOD-AWEZNQCLSA-N	402.516	3.644	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	15018829	LMNGPPWTUFHYEX-LDADJPATSA-N	406.442	3.594	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	20249033	MRGSZMPFSUXIGH-RGVLZGJSSA-N	406.349	3.899	50	40	HHGB	
CCn1c(NNC(=O)/C=C/c2cccc(C(F)(F)F)c2)nc2ccccc2c1=O	32904532	ZNMDWPISTXGFTM-ZHACJKMWSA-N	402.376	3.592	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)o2)cc1Cl	59418979	OYIDNGKVXAZUPN-FSJBWODESA-N	420.860	3.712	50	40	HHGB	
C=CCc1cc(/C=C/C(=O)NN)cc(OC)c1OCc1ccc(Br)cc1	226361104	MXPLIHQPWBHBNK-JXMROGBWSA-N	417.303	3.768	50	40	HHGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408764819	NIMLFOITXPPNER-BLSFAOBESA-N	423.270	3.876	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	890419	QDSARGKDRVDTFU-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)CC(=O)N1	6323807	BYJXYFDMUMHPIM-GOSISDBHSA-N	415.559	3.806	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c(C)o1	14280219	UTASSKDENLDROU-UHFFFAOYSA-N	410.449	3.565	50	40	HHGB	
O=C(CCCCCC(=O)N(CCCl)CCCl)N(CCCl)CCCl	97954829	CZWJYQDSRYVVRI-UHFFFAOYSA-N	408.197	3.549	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408718675	SWDCFXRTDXGIQR-UUYOSTAYSA-N	409.398	3.848	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408745622	UJNONAUSSUBICU-PDGQHHTCSA-N	408.454	3.881	50	40	HHGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1	408848260	VHAFULJHPAYKCT-LSPHWGGMSA-N	401.422	3.514	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1Cl	408864323	YOYUURNXQXOYDY-SRZZPIQSSA-N	423.256	3.502	50	40	HHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1	409108952	ZSVKCIMGGCFWCF-KOEQRZSOSA-N	402.498	3.695	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1	59104616	ORWCYNTVEJOXHT-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)o2)cc1	59435294	RCJJEYXBCZFXLI-ZVHZXABRSA-N	422.437	3.661	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	58913033	OGYQRXYRQLRLAV-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl	409144233	OHIMVXPHPHGJJW-KRWDZBQOSA-N	402.281	3.735	50	40	HHGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])C(O)(c1ccccc1)c1ccccc1	4724086	CFHQZJZSWCHNIE-SPAUHJGFSA-N	401.422	3.646	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)cc1F	8934433	KVLDUMFKTNVSKI-HXUWFJFHSA-N	424.407	3.802	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408939110	HZIZIGFBBGLKBZ-KSEXSDGBSA-N	411.845	3.915	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1	101052717	LALIOYDWYONTID-WRWGMCAJSA-N	421.516	3.766	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c1OC	1054397	JBFGTQPGTYANDD-LFVJCYFKSA-N	406.438	3.638	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccccc1C#N	4195834	QJJXVVSSSOBXGK-CVKSISIWSA-N	400.438	3.695	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c1	6158836	NDPCRNSHXIICPV-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1	6997774	GPLDCCOZJGJRHQ-FSJBWODESA-N	416.319	3.627	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC	9202278	MOEVGSJCKNCODR-FSJBWODESA-N	418.877	3.753	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N32)cc1	12275944	YZAZATUTKDUVJD-XXBNENTESA-N	422.506	3.737	50	40	HHGB	
COc1ccc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1	33926325	VPTIQEBJXAMJQM-GGIMQYPNSA-N	416.525	3.802	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408960896	PMTTYFMWHYHCFI-MYYYXRDXSA-N	418.449	3.665	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408962450	SGHOKXBZGAWUAG-QGMBQPNBSA-N	404.176	3.573	50	40	HHGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409142360	JXWFCGUGVILNNZ-IBGZPJMESA-N	415.921	3.731	50	40	HHGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409260258	NLAPUIHSUMPFFJ-BNHLPYHESA-N	403.404	3.771	50	40	HHGB	
Cc1ccc(-n2ncc3c(NNC(=O)Cc4cccc5ccccc45)ncnc32)cc1	7393227	ICDPPSZQDRFMBT-UHFFFAOYSA-N	408.465	3.963	50	40	HHGB	
O=C(NNC(=O)c1ccco1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	15995823	XJDBWUDANGLIAP-UHFFFAOYSA-N	411.417	3.668	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	28215278	UKTXGQWMSLUNJZ-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCC(=O)OC	408810056	IGZSEXNDTZXMGZ-BOPFTXTBSA-N	424.428	3.660	50	40	HHGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)c1	409227065	XGTJGLZLPZAFPF-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1	1216121	OLRZUTWLDIDIHV-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
CCOC(=O)c1c(CSSCc2noc(C)c2C(=O)OCC)noc1C	2075194	LJTVXJGNJVHYJW-UHFFFAOYSA-N	400.478	3.714	50	40	HHGB	
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCC1	2401589	ZWUXMUUEIUWZOT-SAPNQHFASA-N	414.465	3.761	50	40	HHGB	
C=CCOc1ccccc1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	7208093	UOOOYHMYMVXAJO-LVZFUZTISA-N	413.481	3.733	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1	408712103	ZPFNGEYVIKFUNU-MTJSOVHGSA-N	421.291	3.558	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1	409009033	REUGMZXVIQADLB-AFUMVMLFSA-N	421.428	3.616	50	40	HHGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)[C@@H]1COc2ccccc2O1	2341643	QWEPTHKTNYYZLW-WGBQGACBSA-N	422.868	3.927	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1	7609179	GWBDTWDWKUYXDR-GOOXQAOHSA-N	418.541	3.540	50	40	HHGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1	8169628	YVDSTPHFUOIZAH-QGZVFWFLSA-N	415.584	3.883	50	40	HHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1C#N	59334949	ULQBIMPYPRHQOH-MFOYZWKCSA-N	410.271	3.895	50	40	HHGB	
COC(=O)c1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1	245238000	BYHWKPUXERTCEM-UHFFFAOYSA-N	403.482	3.847	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1-n1cccc1	409096456	KEAXPKNROYISKD-KOEQRZSOSA-N	418.497	3.859	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	690899	SPWCNAXXIMDVBO-WZONZLPQSA-N	414.509	3.666	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccn(Cc2cccc(Br)c2)n1	1081850	HMHRMQUCTXAYKZ-FSJBWODESA-N	422.286	3.939	50	40	HHGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccccc1C	33410127	RIOBZEACXQJTES-CHHVJCJISA-N	401.260	3.737	50	40	HHGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)c1ccccc1	59960609	NUOAVKZJOWVMFY-FDRCZSESSA-N	415.493	3.636	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(C#N)c1C	408546176	DTYVVSXIPATPTJ-VGOFMYFVSA-N	409.423	3.732	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(I)c1	408784922	WRMYCGMDICDOOM-WOJGMQOQSA-N	423.210	3.662	50	40	HHGB	
C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl	409144240	OHIMVXPHPHGJJW-QGZVFWFLSA-N	402.281	3.735	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	690894	SPWCNAXXIMDVBO-FDDCHVKYSA-N	414.509	3.666	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(Br)cc2)c1	940176	DAEKMOHGCLLUKT-UHFFFAOYSA-N	405.292	3.721	50	40	HHGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccs4)c(=O)c23)cc1	1784694	UGYKUJAHCCVPFM-LSFURLLWSA-N	408.508	3.645	50	40	HHGB	
CC(C)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1	408785997	DKUUFLUCNSBQLQ-UHFFFAOYSA-N	414.314	3.701	50	40	HHGB	
Cc1ccc(C(=O)N2CCC3(CC2)CO[C@H](CI)C3)cc1F	2056226551	UPLKRTCSNLLIOX-AWEZNQCLSA-N	417.262	3.580	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)o2)cc1	59435321	RXQWNTUPTBRVQM-ZVHZXABRSA-N	422.437	3.904	50	40	HHGB	
COCc1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)sc2cccc(F)c12	10736805	UZWMUUDUYNONMN-UHFFFAOYSA-N	411.458	3.753	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1	4705190	VSVFRUWIWRXQSZ-LFYBBSHMSA-N	401.216	3.732	50	40	HHGB	
O=C(N/N=C/c1sccc1Br)C(O)(c1ccccc1)c1ccccc1	16477619	BANSROCUBMDKJG-FYJGNVAPSA-N	415.312	3.897	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)c(OC)c1	408710886	UJBAGKIBDVKOOY-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1	408946947	ZQFPHOODKASNOE-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)cc1	408603140	QINPPWVVCSIFIE-BOPFTXTBSA-N	424.453	3.580	50	40	HHGB	
N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(O)cc1	5603914	SIQOSXSVRXEMBN-GJYPPUQNSA-N	400.360	3.581	50	40	HHGB	
NNC(=O)CCc1cc(Cl)c(OCc2ccccc2F)c(Br)c1	226342231	XXUSUSZANVALAL-UHFFFAOYSA-N	401.663	3.743	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	3081483	WOAHKKSPPSABIX-YDZHTSKRSA-N	415.877	3.701	50	40	HHGB	
COc1cccc(NC(=O)C/C(C)=N/NC(=O)COc2cccc3ccccc23)c1	100373443	LECGWPRNDTXLEP-PCLIKHOPSA-N	405.454	3.748	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O	4205682	MKUNOVINRTXZCB-QGOAFFKASA-N	414.465	3.621	50	40	HHGB	
C[C@H](NC(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(C(F)(F)F)c1	9466656	VCEREYZGGLQWPK-LBPRGKRZSA-N	417.391	3.801	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)n1	14166147	QIFKOBDXDOCAQW-YDZHTSKRSA-N	420.494	3.555	50	40	HHGB	
CCCCCCCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	97940388	GEMANDDGMLDLBK-MRXNPFEDSA-N	415.559	3.990	50	40	HHGB	
N#C/C(=C\c1ccc(I)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791822	CZUOEKIPJCCRGM-XYOKQWHBSA-N	419.178	3.745	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1	4502851	ZRRFKYAAYUMJMX-INIZCTEOSA-N	401.923	3.593	50	40	HHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1	59678904	FBXOKIJECVXOBS-PTZPRWATSA-N	405.454	3.710	50	40	HHGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(C)cc1	33408257	JNDASLJJNZPKAY-CHHVJCJISA-N	401.260	3.737	50	40	HHGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc2c(c1)OCCO2	1435264	ZSTKXECZPJQODN-AFUMVMLFSA-N	420.396	3.580	50	40	HHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccccc1O	102981118	JMYOQNQGZUNAGG-HIXSDJFHSA-N	405.841	3.727	50	40	HHGB	
Cc1c(/C=N\NC(=O)COc2cccc(Br)c2)c2ccccc2n1C	17201692	ZJEVOJFODSUIMB-NHDPSOOVSA-N	400.276	3.778	50	40	HHGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1	409004411	CNTNNUMCZTVIGQ-KOEQRZSOSA-N	405.498	3.562	50	40	HHGB	
O=C(Cc1cn2ccsc2n1)N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21	5268511	ZBRCWVNQOXWRIW-CTNNYUBMSA-N	402.479	3.983	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2CN(CCc3ccccc3)CC=C12	16034931	HSNXXDMYLKCHJV-IRLDBZIGSA-N	411.534	3.716	50	40	HHGB	
CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	15083785	AZYICYHOWNHNLP-CYBMUJFWSA-N	423.885	3.765	50	40	HHGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)NCc1ccco1	2807604	ZYDOSXFJBUUBDZ-WOJGMQOQSA-N	403.394	3.990	50	40	HHGB	
N#C[C@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1)c1ccccc1	8653126	RHYLKAKIUJIVPI-RFTNNARTSA-N	422.444	3.662	50	40	HHGB	
COc1cccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)c1	13129972	ZPMATXMHRCGCMY-IWRBETTQSA-N	415.493	3.795	50	40	HHGB	
N#CC(C(=O)CSc1nnc2sc3ccccc3n12)=C1Nc2ccccc2N1	3286539	OXAGZJCDYUIOCW-UHFFFAOYSA-N	404.480	3.878	50	40	HHGB	
Cc1c(Br)c(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1ccccc1	20243777	WATXDYFVCCJQIW-LPYMAVHISA-N	417.351	3.793	50	40	HHGB	
C/C(=N\NC(=O)c1ccccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	100643627	HAMRSKNBHHIFDK-MFKUBSTISA-N	413.433	3.556	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1O	408759319	CDDOTQWRFRFUEV-WZUFQYTHSA-N	418.203	3.617	50	40	HHGB	
CCc1ccc(-c2nc(C)c(C(=O)NNC(=O)CNc3ccccc3OC)s2)cc1	32883654	MRQNMSBJIMTOJW-UHFFFAOYSA-N	424.526	3.563	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)s1)c1cc(Br)ccc1O	3166188	QZOGZIMZJIEGGR-GIDUJCDVSA-N	404.083	3.743	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1cccc(Cl)c1Cl	58913874	XGMDGISISPVRBQ-YVNNLAQVSA-N	409.317	3.766	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1	408797389	RLOHNOLVZZHTSZ-RIYZIHGNSA-N	415.243	3.767	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(SCc3cscn3)cc2)cc1	12782923	KYUVGVPTRIUVIY-UHFFFAOYSA-N	413.524	3.909	50	40	HHGB	
COC(=O)COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C)cc1C	20195456	IVUJVURRMXLPCX-AFUMVMLFSA-N	404.466	3.701	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1	408809952	HVHIGXFHFCWIPO-HNMKQIAWSA-N	421.497	3.924	50	40	HHGB	
C[C@H](C(=O)N/N=C\c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CCCC3	4482906	NVIJKZCVSKVFPP-MOQVIFSHSA-N	414.918	3.702	50	40	HHGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	4837072	LUFJNPKIHVKFGR-GOSISDBHSA-N	407.817	3.961	50	40	HHGB	
CN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	17143885	MHTZLADISVCCNT-BIUIGEDTSA-N	411.509	3.683	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	408857437	VABVOPIOUFEANY-UDWIEESQSA-N	413.231	3.912	50	40	HHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1cccc(Br)c1	13597089	HBGWUAMEJKLGCE-MTJSOVHGSA-N	417.332	3.968	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OC)cc2nc1Cl	4168440	CVUGRWWZFGXLMC-SFHVURJKSA-N	411.845	3.708	50	40	HHGB	
COc1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	726420	FHBYETFSFBBZHP-UHFFFAOYSA-N	418.361	3.623	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1	58871365	VGABKKMWEQYPET-LPYMAVHISA-N	407.382	3.795	50	40	HHGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl	25257130	MPPKBPYIPCOPQU-SJCJKPOMSA-N	422.312	3.599	50	40	HHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	59678903	FBXOKIJECVXOBS-ZZQPOVDQSA-N	405.454	3.710	50	40	HHGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	3570372	SYPWYAYKMNRVTG-NTUHNPAUSA-N	405.248	3.673	50	40	HHGB	
CCc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1	7727826	GQJPIVAWHZLHGX-UHFFFAOYSA-N	400.525	3.909	50	40	HHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1	409027942	GSXIMOGEERNGCW-JJIBRWJFSA-N	421.522	3.595	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	408944854	VVOANQNMCHZUOY-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(c1ccccc1)c1ccccc1	409390602	FQQCJBGNNFNFLO-YDZHTSKRSA-N	403.394	3.606	50	40	HHGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc(Cl)cc1	408995582	BGRBQOCYMCZVLS-KEBDBYFISA-N	406.895	3.698	50	40	HHGB	
N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	409006707	KFPNYRBMQZEGJG-PTNGSMBKSA-N	412.833	3.630	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	19954753	CDOYQMLJSOYHNL-HAVVHWLPSA-N	415.559	3.599	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1O	38165472	ULFUDOLIKXFCQD-GZIVZEMBSA-N	416.197	3.736	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br	1102899	GMJDTLKICKFLLJ-CAOOACKPSA-N	416.069	3.967	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCC	6959648	BXRRGMPWMMIMKD-UFFVCSGVSA-N	422.938	3.787	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3cc(C#N)n(C)c3C)cc2)n1	14116421	MGMBJLUILKACIT-WYMPLXKRSA-N	418.526	3.668	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cc(Cl)cc(Cl)c1	20211489	SUJVTCLCFIRNBT-UHFFFAOYSA-N	406.335	3.586	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1F	33803515	NUXSSHGECGCXDV-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1ccccc1	101028310	YSPGGQPHFYOSNN-IPHDDYSGSA-N	401.098	3.693	50	40	HHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O	408963774	PFSMKYDGIBOKFL-ODCIPOBUSA-N	417.181	3.946	50	40	HHGB	
CC(C)C/C(=N\NC(=O)CNC(=O)c1ccccc1Br)c1ccccc1	21966830	GTYZIEIDPBJULP-PTGBLXJZSA-N	416.319	3.746	50	40	HHGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\NNC(=O)Cc1ccccc1)c1ccccc1	100510026	HYLFGJBJDKGOGM-VHXPQNKSSA-N	410.477	3.684	50	40	HHGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NCc1ccco1	2240832	LQVPRWRQEABLGC-YBFXNURJSA-N	402.406	3.780	50	40	HHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1	409233880	IFWDCHWLNMHIFV-ODYDIQAQSA-N	416.231	3.847	50	40	HHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	4525077	WPUQUMMVYMZZOS-OVCLIPMQSA-N	414.845	3.755	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OC)c1O	4670458	RJSXGCFFSCXBBM-GHXNOFRVSA-N	403.232	3.718	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1	409006550	OWRZOMAGHUGBRH-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCCCc1ccc2nc(O)c(/C=N/NC(=O)CN3Cc4ccccc4C3)cc2c1	409201137	NXLRLEGSSNUFJW-DHRITJCHSA-N	402.498	3.749	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC	408800966	QNJQMVPQHKOQEA-LFIBNONCSA-N	412.417	3.712	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(Cl)ccc1O	3148132	RTAOQKPKRPQAJE-FBCYGCLPSA-N	418.074	3.991	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)ccc1O	720227	PCERPFWWUSSEHM-HXUWFJFHSA-N	423.419	3.984	50	40	HHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)c1	1403901	PZUOEVLMHOYVFV-ODCIPOBUSA-N	417.181	3.946	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	3234786	ONAQZEFSOIWHTA-GXDHUFHOSA-N	420.343	3.683	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1	2349783	JBOHUIWTTWNRGB-HZHRSRAPSA-N	423.542	3.996	50	40	HHGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1	8860354	YNLVOFGLKUSXSA-UHFFFAOYSA-N	408.849	3.543	50	40	HHGB	
O=C(CNc1cc(Cl)ccc1Cl)N/N=C1\SCC(=O)N1Cc1ccccc1	13992203	FYDMJTXRCUFNBJ-NKFKGCMQSA-N	423.325	3.568	50	40	HHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)O)c2ccccc12	6544905	SLBQMZDHKDLRLK-WYMPLXKRSA-N	401.422	3.652	50	40	HHGB	
O=C(O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccccc1O	5338231	FUYPMEPXCNRVER-TTXZLZEXSA-N	409.313	3.791	50	40	HHGB	
COc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C=CC3=C(C#N)[C@@H](N)C2(C#N)C#N)cc1	17143919	LZZOVTTYAGCWSK-ISJGIBHGSA-N	421.504	3.619	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccccc1Cl	101136859	SQKFRZAEOHSRQJ-KYXWUPHJSA-N	421.516	3.766	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c1	101371627	PRUXBHWYCBGKDD-ITYLOYPMSA-N	417.509	3.625	50	40	HHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccco1	409029772	BFTQEENPGDYHAD-FMIVXFBMSA-N	410.813	3.627	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2	102829491	KURBORKWOOLPAH-ITMMVACCSA-N	410.562	3.955	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	655024	FKWNKIWBAMINCA-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2)c(Br)c1	676444	SDAQIHZSTIYGSH-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)c1	408968853	ZSGNFFSCERJHAB-OYKKKHCWSA-N	405.454	3.740	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1c(C)cccc1C	7042455	NHPQYZVIXVNXBF-WGOQTCKBSA-N	419.481	3.929	50	40	HHGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\C=C\c4ccccc4)c(=O)c23)C1	16810053	HEEWGDIJMRSASK-GWQNFZLESA-N	420.538	3.959	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	408533491	SOPFCHSLWNPWTA-FOKLQQMPSA-N	410.352	3.575	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC	15475529	SQMCAKGSNQNADU-GFCCVEGCSA-N	408.907	3.689	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c1	38188447	QRCQTHJGLRIBIY-UFWORHAWSA-N	410.655	3.530	50	40	HHGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1	4167161	QBFYQKFGQKYLMI-MRXNPFEDSA-N	424.844	3.671	50	40	HHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	4893162	LBYRIZOHZQFFDA-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1434872	PJJVEXVMMAVNGM-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
Cc1cccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c1	1435678	YMTOSHLGZCSHTK-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2cc3ccccc3oc2=O)cs1	2307658	LKTMMFKRBYQKHJ-SDNWHVSQSA-N	414.446	3.992	50	40	HHGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)[C@H]1COc2ccccc2O1	2660504	ZBUNRJVNYAQLPB-SBUZPKSBSA-N	414.874	3.830	50	40	HHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8398745	VTLUOYOJJPBRAG-QMMMGPOBSA-N	415.189	3.720	50	40	HHGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1cc2c(s1)CCCCC2	12773675	ROLCRLUXFHVTRC-UHFFFAOYSA-N	419.355	3.947	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	20100866	OZFMZMBWJCTRQE-LPYMAVHISA-N	409.398	3.783	50	40	HHGB	
COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc2c1	32909632	BQLBEBAABDRLIC-UHFFFAOYSA-N	413.499	3.590	50	40	HHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@H]32)c2ccccc21	103123885	CCDUURLODCSMBE-LNJIKXCHSA-N	411.509	3.683	50	40	HHGB	
CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H]12	105295620	CRZZFQSJDRYLJT-JNPHEJMOSA-N	410.308	3.880	50	40	HHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1C	408611462	QZVXUCFNHKTHJW-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)c(OC)c1	408734293	WKKZPRHBILNZLD-AFUMVMLFSA-N	401.466	3.988	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl	408885810	BDGFXNVHKSSURG-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c1	408998950	VKWBLZWLNZRTJL-SRZZPIQSSA-N	400.504	3.661	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1cccc(Cl)c1	409005373	ZPSSIUGGPUMVCE-OEAKJJBVSA-N	400.910	3.600	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O	409185932	SSWAYOBWWNEZOT-PTGBLXJZSA-N	415.559	3.621	50	40	HHGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21	409248010	JLIHCFLXHKSWIK-HKWRFOASSA-N	415.493	3.860	50	40	HHGB	
O=C(OC[C@H](Br)C(F)(F)F)OC[C@H](Br)C(F)(F)F	1083809197	WZFDOVJPOHRMHS-IMJSIDKUSA-N	411.918	3.791	50	40	HHGB	
CC(C)c1nc(C#N)c(NNC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)o1	104026391	CMMHLUQSVQYEKN-SKLAPFLYSA-N	407.312	3.847	50	40	HHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	59421973	TUDHNFFRRKGWNH-UHFFFAOYSA-N	407.857	3.596	50	40	HHGB	
Cc1ccc2cc(/C=N/NC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c(Cl)nc2c1	1896698	NNISFGDLAFEGNX-XIMCHAMWSA-N	405.889	3.698	50	40	HHGB	
COc1ccc(N([C@@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	20214778	XUZZKBWFZWJOCH-VYRBHSGPSA-N	423.579	3.558	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccccc2CC)cc(OC)c1OCC(=O)O	408819833	UENQGFOOZGFWSM-QRVIBDJDSA-N	411.458	3.605	50	40	HHGB	
COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(=O)[nH]1	73417937	NLIDPNHAYRHPQA-UHFFFAOYSA-N	401.406	3.588	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccn(Cc2cccc(Br)c2)n1	1081948	WRRAAJNZRLFINW-SRZZPIQSSA-N	401.239	3.597	50	40	HHGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	7071498	YIHFJAISHQTWAO-UGVMZYNRSA-N	402.520	3.522	50	40	HHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1	2187944	FBJMYPSLWJWMSA-KQQBXRMLSA-N	419.868	3.967	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	102485988	DWYCNSXBVCYMSW-LJQANCHMSA-N	412.467	3.981	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(C)c1	5446399	SPGQGMIWDDSJMR-NRFANRHFSA-N	402.454	3.832	50	40	HHGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/C=C/c1ccccc1	3096775	FRCPHJDLVKLWHX-XLWYYFMFSA-N	404.220	3.552	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCc1ccccc1[N+](=O)[O-]	4526015	XPSATYZEJUDLDX-KEBDBYFISA-N	407.810	3.916	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1F	40006567	XKEVFFWIBNSGIJ-WAGPWIPHSA-N	410.445	3.615	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1OC	5738747	SNQCXMYAPMZXBI-AFUMVMLFSA-N	401.466	3.988	50	40	HHGB	
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1	85408964	MXGRQOGSPJECSL-CQSZACIVSA-N	400.843	3.519	50	40	HHGB	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cn1nc(C)cc1C	1117540	UONRSAWWRYVNTR-FYJGNVAPSA-N	407.495	3.895	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1	1445291	JRJLWKVMHGDSJP-AFUMVMLFSA-N	406.413	3.882	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSc1nc2ccccc2s1	2315328	XBKGTMKQFPMEOK-SRZZPIQSSA-N	423.523	3.738	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)O	2735943	KUBMOQDLLWNHQZ-VGOFMYFVSA-N	400.818	3.666	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CN(C(=O)c2ccccc2)c2ccccc2C)cc1	3162622	PHWTWGTUBNLPSL-PCLIKHOPSA-N	401.466	3.801	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C	5006517	HUBPGKDLCKJBRA-LDADJPATSA-N	422.554	3.966	50	40	HHGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(c1ccccc1)c1ccccc1	6510286	QUJIVXROLMIDHG-UHFFFAOYSA-N	412.493	3.578	50	40	HHGB	
CCc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	8108244	KMUWPMUQRSGQFX-IAGOWNOFSA-N	406.482	3.784	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1	19953399	SHKPMCZZTWADNC-UHFFFAOYSA-N	414.314	3.701	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	20100796	JTDPBZQZIURJAO-LPYMAVHISA-N	409.398	3.783	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)cc1	58914572	ATMIJSCTLIYDGZ-NHDPSOOVSA-N	412.789	3.597	50	40	HHGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cc2ccccc2cc1O	101443887	LIZICJQLKLMKMG-MFKUBSTISA-N	404.470	3.746	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	409007387	OHTUAJVINGSTKE-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1	409097244	MVNWQVQWMGSKPJ-MXAYSNPKSA-N	415.371	3.887	50	40	HHGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCC1	409192273	WEDDJXAQDIYRDN-LGMDPLHJSA-N	407.445	3.809	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)c1	6034661	PFIWGLIJMFEROG-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	105509480	VZBXKBUTKIDXRH-XTCLZLMSSA-N	419.868	3.786	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C	2389598	SYBFVUJEYDBWKQ-IGCAKMCNSA-N	411.914	3.821	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1	9331694	HQTDNIWHNSOFRB-WOJBJXKFSA-N	422.506	3.756	50	40	HHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1	408975060	JJBRHPWCTPBYFH-UHFFFAOYSA-N	405.520	3.543	50	40	HHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	408800186	NNUZKLMWTVLJLP-IQFISFIMSA-N	407.470	3.534	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1	33870825	BJJMTQCFWNEDJZ-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)CCc1ccccc1	409355173	BZYHBVHWEAEVHL-MDZDMXLPSA-N	400.294	3.546	50	40	HHGB	
N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	2328636	XCBGKLSSZSWEPH-HNNXBMFYSA-N	408.310	3.641	50	40	HHGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	96868627	QWVYRENZLWHVHY-QNGOZBTKSA-N	414.509	3.579	50	40	HHGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	408976457	AVPBQINXZVWNSO-DOZBRYHWSA-N	416.437	3.606	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OC	409357635	BBADCHWSHDYQGU-MTJSOVHGSA-N	405.292	3.858	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409367681	DINLQSQZNWYITF-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(Br)o1	711614	BDZMNOYIJBIEGG-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccc(C)cc3)C2=O)cc1	2383165	BXAXXZDLBCPWLY-LBMWUGKUSA-N	405.523	3.730	50	40	HHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1	3404670	TYWPVXNVRGZJCI-UHFFFAOYSA-N	410.857	3.759	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(Br)cc1	4410099	KYRCPLAIMQZXNF-LPYMAVHISA-N	418.291	3.901	50	40	HHGB	
CN(NC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)nnc1C(F)(F)F	6178383	LTLJEIYQBUMWEB-UHFFFAOYSA-N	407.783	3.992	50	40	HHGB	
COc1cccc(NCC(=O)NNC(=O)c2sc3cccc(C)c3c2Cl)c1	12522231	FCITUYZHSIUMOJ-UHFFFAOYSA-N	403.891	3.745	50	40	HHGB	
O=C(NNc1cccc(Cl)c1)c1cccc(S(=O)(=O)NCc2cccs2)c1	32904802	JLGJCUHETNJBMM-UHFFFAOYSA-N	421.931	3.637	50	40	HHGB	
COc1cc(P(=O)(c2ccccc2)c2ccccc2)c(Br)c(OC)n1	42879085	HPEZMVARRFUNGM-UHFFFAOYSA-N	418.227	3.501	50	40	HHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1	408731420	MHJKOORKLNBFFA-UDWIEESQSA-N	407.927	3.793	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	408749927	VCKRFODLESIIHC-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)c1	12275756	XJNXMJXCTZEELR-UWJYYQICSA-N	412.898	3.992	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(Cl)nc2sccn12	3178822	NYAQJZIAOJXMGO-QPSGOUHRSA-N	401.801	3.630	50	40	HHGB	
Cc1ccc(-n2nnnc2S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	104717868	ALAPFOICYCUEMN-YSYRGXBVSA-N	420.523	3.973	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C(\c1ccccc1)[C@@H](O)c1ccccc1	4032219	ZLWSHDKJZYNCLE-SUZWILKISA-N	416.506	3.909	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1	13685973	FQKMHPBBCHWBKT-RWZYYMRUSA-N	411.914	3.821	50	40	HHGB	
C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc2c1=O	6562716	VJZJHEFXOWHTDD-UHFFFAOYSA-N	415.478	3.516	50	40	HHGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)cc1OC	4602788	ZSTZYIXAXFLHFY-ZVHZXABRSA-N	417.893	3.729	50	40	HHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(O)cc1	409069590	WDSIRHTUCMSRAK-SAPNQHFASA-N	420.446	3.706	50	40	HHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc3C2)cc1	22022823	JBPSMJJCPPVMBO-VULFUBBASA-N	413.477	3.738	50	40	HHGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1	8826064	UBMITMDVZMFWQD-CVKSISIWSA-N	421.464	3.654	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2C)cc1	58913796	GURFACOGITZMMN-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC	57582501	YEBLRHVYELQBEB-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
CC(C)N1CC=C2[C@@H](C1)[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)C2(C#N)C#N	20469832	APYTWXMHKZUJOM-APWZRJJASA-N	411.431	3.839	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408796678	OTFONWAZHIVBQY-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)cc1	408581019	GCUXEUQIXFKQOJ-VGOFMYFVSA-N	418.243	3.994	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1	5558538	RVSCUAPBGCYSIB-ZVHZXABRSA-N	415.921	3.720	50	40	HHGB	
CSc1nc(-c2cccs2)nc(C)c1C(=O)NNC(=O)c1c[nH]c2ccccc12	40069661	PXOJZEXRUSHVHZ-UHFFFAOYSA-N	423.523	3.792	50	40	HHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccc(Cl)cc1	408903895	AZHVGEQDMMHGDF-IUXPMGMMSA-N	415.618	3.806	50	40	HHGB	
C=C1C(=O)O[C@H]2C[C@@H](C)[C@H]3C[C@H](OCCCl)O[C@H](OCCCl)[C@]3(C)C[C@@H]12	5430575	NDKJHGDTMFXEHV-NHSVCVQTSA-N	407.334	3.720	50	40	HHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N32)cc1	12274947	LRZLHWPYWVHUQM-UTKZUKDTSA-N	412.898	3.992	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OC	13357373	UMZWADCPXBQAJR-MDWZMJQESA-N	400.818	3.991	50	40	HHGB	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1	3324177	TXQGEEKQHGHKCE-RVDMUPIBSA-N	412.833	3.630	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc(OC)c1O	4168843	DZRHMWRVXHWHJO-MRXNPFEDSA-N	424.482	3.696	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC	5514147	CKTWQSZGKXTRFG-BUVRLJJBSA-N	419.437	3.585	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	9260284	MQVOBLAEZDJCIG-DHRITJCHSA-N	415.405	3.722	50	40	HHGB	
O=C(N/N=C(/CNNC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1	15978715	RJTQNUXYJBMBGF-QOMWVZHYSA-N	402.458	3.539	50	40	HHGB	
COC(=O)CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1C	96402182	WDVGQRTZDKOKRW-QGOAFFKASA-N	402.454	3.762	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	409097277	IBEWZNNMGDTFOJ-LSCVHKIXSA-N	412.627	3.540	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	6266123	YWNRJRWBWCYINC-ZMOGYAJESA-N	418.453	3.515	50	40	HHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)CCC2CCCC2)cc1OC	6559827	CALFBOGHXDJKLN-UHFFFAOYSA-N	413.312	3.588	50	40	HHGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1cc2c(s1)CCCC2	12779195	GVKCCJLNMQXJKI-UHFFFAOYSA-N	401.513	3.656	50	40	HHGB	
CCOc1cc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1O	20238047	UVZAUOINMKODMO-MRXNPFEDSA-N	411.483	3.599	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	101377206	KEVFBDIPIKIZEY-DZIBZFBXSA-N	407.445	3.659	50	40	HHGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21	18115547	DVGFKKNOXGMWIP-VYIQYICTSA-N	400.482	3.919	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275572	IDQWDWOKXFKKPT-XXBNENTESA-N	422.506	3.737	50	40	HHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1	100335010	ZSIGMPXNMCNIII-AFUMVMLFSA-N	413.518	3.741	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)CC2(C)SCCS2)cc1Br	409255538	HTQISICRKSPWFT-RQZCQDPDSA-N	419.366	3.503	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408611235	QJJBIYUEDBISLK-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccc(C)cc1	409017217	FFWSTXAEMYZSHY-YDZHTSKRSA-N	423.494	3.847	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)CCCl)cc3)o2)cc1	39753184	FLHQHTHNIWHOJH-UHFFFAOYSA-N	400.822	3.565	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1	409309771	MFCKOPBKMZJFRB-KRWDZBQOSA-N	411.458	3.545	50	40	HHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1	5543902	QRKQZNAKFVMGGP-HBAGGBEISA-N	402.450	3.864	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1cccc2ccccc12	2131898	ANOFNNXGDPDVGU-UHFFFAOYSA-N	419.264	3.752	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1	107637719	NXKRUAJHRPUILM-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21	118917756	CLHOQFOFZHJBHD-BYPZKLKTSA-N	424.965	3.677	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccccc1C	409078261	IEWVMMMVQXKSTR-CVKSISIWSA-N	413.433	3.858	50	40	HHGB	
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1)C(=O)O	59249783	WSKSBLQMJALNIP-OJLMPMFISA-N	415.243	3.847	50	40	HHGB	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1OC	12412737	HWIRUQWVUMSTGR-IBGZPJMESA-N	424.453	3.857	50	40	HHGB	
Cc1oc(/C=N/NC(=O)COc2cccc(Br)c2)cc1Br	1433629	TXRZZMHYRFHNDS-REZTVBANSA-N	416.069	3.642	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1	27016591	ZOQIDNISTXYKLB-LTGZKZEYSA-N	411.509	3.529	50	40	HHGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	408777765	ICVXWGLVOHOTIM-PGMHBOJBSA-N	406.530	3.706	50	40	HHGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1Br	409383341	WFRDUJYVBAFLSK-AUWJEWJLSA-N	404.264	3.562	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(I)cc1	408779619	GKLXRPXQJOQWGV-GDNBJRDFSA-N	419.266	3.694	50	40	HHGB	
N#C/C(=C\N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1	9130458	FBODVIIHSRDICH-XMHGGMMESA-N	422.337	3.954	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(O)c1	409391408	JEFAHAXYKGSQQG-AFUMVMLFSA-N	401.422	3.615	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)cc2)N2C(=N1)SC(C#N)=C2N	408605824	NEVRRFXJTLGXQX-GOSISDBHSA-N	412.515	3.813	50	40	HHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc2ccccc2c1	409105312	MQDBINZDDSJTBB-KEBDBYFISA-N	414.215	3.980	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1	409327667	VVNBAIANRVKLLQ-HNNXBMFYSA-N	411.458	3.545	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)cc1	705516	LXWAFRZGRPUZHS-JOCHJYFZSA-N	415.449	3.729	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(Cl)cc1	1248568	IXGRVZQXDLZVIE-VXLYETTFSA-N	405.936	3.922	50	40	HHGB	
CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C/c3ccc(OC)cc3)ccc21	4674141	BLNDSFYWBLOJGX-MFKUBSTISA-N	414.465	3.912	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	4705000	UCGZTLAURHGEGV-WUXMJOGZSA-N	402.204	3.917	50	40	HHGB	
CCn1c(NNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)nc2ccccc2c1=O	11160923	XFQZUFJBYUULKK-UHFFFAOYSA-N	423.473	3.520	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)[C@H](Oc2ccccc2Br)C(C)C)c(C)o1	40140329	LUMVDCBCEAHWPT-MRXNPFEDSA-N	409.280	3.524	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC	59437048	HVBLTGAKVPZPTD-CIAFOILYSA-N	417.487	3.776	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1O	59483253	KNZOZEQODPJMGL-SSDVNMTOSA-N	424.284	3.967	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(F)c1	408964730	DKTAKKUDEHVUST-DHRITJCHSA-N	418.384	3.948	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1	409315668	ODXOBTXALBATGS-DAYGRLMNSA-N	413.543	3.557	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)c1	3139188	XMYXSKFNEDPWDF-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1	4045501	JPMGKWSSPZIGCD-YDZHTSKRSA-N	409.467	3.538	50	40	HHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1c2ccccc2cc2ccccc12	6287222	QXMNYPMJTABRKI-MFKUBSTISA-N	406.449	3.797	50	40	HHGB	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	8032793	FIOIBKXSNTYAOW-UHFFFAOYSA-N	401.488	3.660	50	40	HHGB	
Cn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118471	GLWMBPJYSGHAQE-VXLYETTFSA-N	403.223	3.547	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)o2)c([N+](=O)[O-])c1	408898081	KJOKOGXZUUEHRY-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	408972603	PNORCXIUZXOFFB-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cc(Cl)ccc1Cl	409024624	LJABWXXHRKPEHU-UHFFFAOYSA-N	420.362	3.976	50	40	HHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(F)cc1	409050087	YRPJCBKVUFKVAO-KPKJPENVSA-N	419.206	3.597	50	40	HHGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2cccc(F)c2F)C(C#N)=C(N)O3)cc1OC	664551	XGORPHPWGRMGEF-MRXNPFEDSA-N	410.380	3.590	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1	956517	BRDGLEJHTKVOHL-MHWRWJLKSA-N	410.382	3.601	50	40	HHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(C(=O)O)cc1	1092749	ITTMNGGKYAAUFE-WSDLNYQXSA-N	411.255	3.993	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CCl)s2)cc1	9062337	GRDNHLAHQKKDAC-UHFFFAOYSA-N	402.863	3.643	50	40	HHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc(Br)c1	59515642	AIVWSMOEXHFHJJ-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(OC(C)C)c1	409149723	OQAUJRUGWCLEJT-BHGWPJFGSA-N	413.474	3.552	50	40	HHGB	
CC1(C)CC(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC(C)(C)N1	5851821	GAGYRXAMCCECTP-SVIJTADQSA-N	413.400	3.571	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CCCl)o2)cc1	9062275	JSXPGTTVOJRLLI-UHFFFAOYSA-N	400.822	3.565	50	40	HHGB	
COc1ccc(CC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cc1	12749790	WYYBZLZHLMUAJO-UHFFFAOYSA-N	419.211	3.607	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1O	13810299	RVNOIYVMCSOQGR-XDHOZWIPSA-N	401.466	3.876	50	40	HHGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	14232712	CFBBHSIZZXFCQD-LBPRGKRZSA-N	412.442	3.675	50	40	HHGB	
CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(NC(=O)CN(C)C2CCCCC2)N1	23623440	IUOFEMDIJAZLCE-UHFFFAOYSA-N	413.591	3.754	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1OC	59473137	WNDBOJIZXLILFW-LPYMAVHISA-N	400.500	3.652	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1	408991993	PQBSQWMNNUSNGS-XNTDXEJSSA-N	411.439	3.796	50	40	HHGB	
CCOc1cc2c(cc1/C=N/NC(=O)CSc1nc3ccccc3s1)OCO2	409095785	JERVUCMCHCSITF-AWQFTUOYSA-N	415.496	3.666	50	40	HHGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409244892	KDATUBPZGPHOPL-UUYOSTAYSA-N	421.266	3.854	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c3cccc1c32	2430033	OEAFLJIYCQNYCE-RUZDIDTESA-N	415.493	3.834	50	40	HHGB	
CCOc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1	12785001	RUHJCXLJNAIIRK-UHFFFAOYSA-N	410.495	3.983	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)C)cc1	408718432	NTCUNJJPLRALRC-SRZZPIQSSA-N	419.275	3.783	50	40	HHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(C(=O)O)cc1	408779671	HFFCLYWTIOMASX-DJKKODMXSA-N	407.289	3.531	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O	408908981	ZQFOEZIWEBGBGB-LWJGVMBGSA-N	415.559	3.701	50	40	HHGB	
COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408968541	WYOCUSIUBXBQGO-ODCIPOBUSA-N	410.630	3.886	50	40	HHGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2	408997008	KYZOXZAIBOLKAY-ZADDSPCNSA-N	413.433	3.831	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O	842718	DUTHABWPSXEKRP-HNNXBMFYSA-N	419.275	3.614	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1	104882411	KFIOOJHEPRWJNG-SDXDJHTJSA-N	408.527	3.704	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1Oc1ccc([N+](=O)[O-])cn1	409200923	KKCVTKPOCLKZSF-FSJBWODESA-N	422.397	3.650	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)NC(N)=O	409237887	XSSLNVCKGKDVAT-QCDXTXTGSA-N	408.216	3.813	50	40	HHGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1cccc(Br)c1	100090570	BZXIWKJMPARWIR-WSDLNYQXSA-N	422.710	3.915	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1	108207604	DSJVNBJUZGCDAN-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	18199589	ROHNJHKVSJUYHJ-CWTRNNRKSA-N	402.406	3.570	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	408790341	VSTRUPJHPCQEFE-SFQUDFHCSA-N	416.389	3.977	50	40	HHGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)[C@@H](C(=O)O)C1	4651553	OFKBFRUITMTUQP-ROUUACIJSA-N	420.465	3.519	50	40	HHGB	
C[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@@H]1Cl	4746258	HCSIHWBZGLSAHA-ADNMFJMDSA-N	401.098	3.693	50	40	HHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408793888	HCYOJTJMLSBXJE-QGOAFFKASA-N	406.438	3.982	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1	408881489	MOCMQUIODMAVQL-UCQKPKSFSA-N	405.410	3.946	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1O[C@H](C)C(=O)O	409233191	RRRQASLEAAMWTK-XTCQQWIJSA-N	400.818	3.746	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1[N+](=O)[O-]	408599211	PZJGSNOCYUDADP-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	100421322	JRLVNUIEXJSBQB-RVDMUPIBSA-N	414.446	3.992	50	40	HHGB	
CC/C(C)=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	9403838	UOCYRVWKRRBGCQ-XDHOZWIPSA-N	424.320	3.766	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(C)C	10888245	XXUBGDSQXSDNJS-UHFFFAOYSA-N	410.442	3.872	50	40	HHGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccc([N+](=O)[O-])cc1	104067934	KGFMXUAIPBNJBH-BKUYFWCQSA-N	409.273	3.643	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O	408748675	GHKAUGFPXAILNE-ZVBGSRNCSA-N	411.241	3.619	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)O	409221108	KZZPDBFZKJXYMI-PRMNVEQPSA-N	411.241	3.618	50	40	HHGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)N1CCCC1	409367992	LBMQEZXWANPEIM-XNTDXEJSSA-N	408.370	3.825	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	1435794	CXFJKUXUAOAUOA-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1O[C@@H](C)C(=O)O	409229263	MHDOJNTXJWWCFK-PBTLCFMXSA-N	416.437	3.556	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OC	408860101	SDGYHUVSNVOTQI-UFFVCSGVSA-N	422.890	3.877	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccn1	409234415	ZVTZSUUCMUGUAO-MTDXEUNCSA-N	424.504	3.875	50	40	HHGB	
CCCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567586	NGLVQAYPLWCNDN-SANMLTNESA-N	424.504	3.902	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc3ccccc3c2)cc1	14922584	JRBSCSHZTSRRIF-PCLIKHOPSA-N	405.454	3.748	50	40	HHGB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408602497	BUFNXPBWRXIIMQ-LJQANCHMSA-N	417.494	3.719	50	40	HHGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@@H]2C1	20219036	WGCMIHJEWSIUSI-DHIUTWEWSA-N	407.477	3.834	50	40	HHGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	216900961	WTWKVBACLSGEPW-LLVKDONJSA-N	406.269	3.968	50	40	HHGB	
C/C(=N\NC(=O)COc1ccc(C)cc1Br)c1cc([N+](=O)[O-])cs1	1030010	AIOUATVQMSPUKY-LICLKQGHSA-N	412.265	3.646	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1OC	20348327	XEVLDQOHAQCNOI-GOSISDBHSA-N	421.522	3.919	50	40	HHGB	
COc1cc(Br)ccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	1073583	SIFXJBDAWSZSCU-INIZCTEOSA-N	403.276	3.909	50	40	HHGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1OC	2284857	ZMXFZELWIWSUNV-SDNWHVSQSA-N	406.467	3.903	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccc(F)cc1	5095070	GVOSEMFQKCXZFI-FQEVSTJZSA-N	406.417	3.663	50	40	HHGB	
Cc1ccsc1[C@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19816517	MNCYGFULLNDXMG-LEWJYISDSA-N	411.534	3.982	50	40	HHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccccc1	409247751	NPWYPCZTIAZRFT-DKTFCQPKSA-N	416.231	3.847	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	409232996	UDBCIJJSRLFWRN-MYYYXRDXSA-N	405.429	3.536	50	40	HHGB	
COc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	13479755	XSZWZHNZXCTNLV-ISKFKSNPSA-N	423.520	3.982	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1	6449984	WLMDBCAJIUXCSR-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	4180457	QUSUOQKGOFCOLI-HZHRSRAPSA-N	410.474	3.677	50	40	HHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1	4739244	ADLCTTNPBFSIFP-WYMPLXKRSA-N	401.344	3.958	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)C(C)(C)C	5205531	WWHDDCBAEVMOEF-CJLVFECKSA-N	417.531	3.783	50	40	HHGB	
COc1ccccc1-c1cc(C(=O)NN=C2CCN(C(C)=O)CC2)c2ccccc2n1	5518152	XADRMDGLCGCJHA-UHFFFAOYSA-N	416.481	3.639	50	40	HHGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1	5949306	JDYNFCPWBPIOMC-UHFFFAOYSA-N	400.434	3.598	50	40	HHGB	
N#CC1=C(N)C2=CCCC[C@@H]2[C@H](c2ccc(OC(=O)C(F)(F)F)cc2)C1(C#N)C#N	6188196	LQADSWHAFUBVEH-YOEHRIQHSA-N	412.371	3.748	50	40	HHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	6426736	VHNGSLSTIPFCHV-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c(Cl)c1	10060139	YONVXMZRTMFWGS-CNHKJKLMSA-N	412.627	3.789	50	40	HHGB	
Cc1c(/C=N\NC(=O)c2cccc(I)c2)c2ccccc2n1C	408847294	SXEFLHXSPPJFNT-JAIQZWGSSA-N	417.250	3.855	50	40	HHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccc(Cl)cc1	408996615	JHSWRFFMJOTXMH-RVDMUPIBSA-N	412.833	3.630	50	40	HHGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)CC2=O)cc1C	409258635	YIFWDKKUVVTCPM-HDDDNDSPSA-N	403.404	3.825	50	40	HHGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	2639446	STBUACFMLCRFJM-LLVKDONJSA-N	411.683	3.639	50	40	HHGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	6453433	HBGYIAIIQFJPNV-OAHLLOKOSA-N	411.458	3.545	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1	59459323	MOCOGBIAQXLGML-WSDLNYQXSA-N	417.303	3.866	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	107964440	DIDKCIDJZJFEDT-WYMPLXKRSA-N	417.421	3.753	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2)cc1	409036693	LKMZBECAQDGGDG-FOCLMDBBSA-N	400.434	3.689	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC(C)C)c1	409047118	NFFKSFNWJRHYQX-SRZZPIQSSA-N	401.419	3.639	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC	8269480	QPCFELWZEJNQKF-UHFFFAOYSA-N	407.470	3.529	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	5728415	NQVHAGCNMLCQOU-GZQZNAIASA-N	402.454	3.878	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)c1	409257607	RDBLBKMKHJCLEY-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c([N+](=O)[O-])c1	408878911	BQCMBSSMKDQIKI-KPKJPENVSA-N	402.204	3.912	50	40	HHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNC2CCCCC2)c2ccccc21	409372401	ZAFSTIXQZDQPCY-RWPZCVJISA-N	413.525	3.934	50	40	HHGB	
COc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)ccc1I	408747108	JIHYXJKPAGGRHR-KEBDBYFISA-N	419.222	3.545	50	40	HHGB	
CSc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1NC(C)=O	44815620	WEANUGBRHZJIGI-UHFFFAOYSA-N	415.559	3.734	50	40	HHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccccc1Cl	13584295	AUOKVOMVNRKUFA-YSMPRRRNSA-N	405.885	3.738	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(C)c1C	2743279	SOBYFSFOXOOMFD-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H](Sc1ccccc1)c1ccccc1	8878410	XTEMHMHVJONEHX-RTWAWAEBSA-N	420.490	3.507	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)c([N+](=O)[O-])cc1OCc1ccccc1	409212725	PZKDIKMZQBQOFY-QRVIBDJDSA-N	421.409	3.652	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1	408868510	MUHQOAWOZWKYKK-UUYOSTAYSA-N	423.381	3.501	50	40	HHGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1Br	4814079	JDLUECSVLBVFIK-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)cc(OCC)c1O	408847400	UWBPPTIGEPUPDE-RHZDZNBDSA-N	413.481	3.727	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC	409366835	ZCHPMXXJDLCBJM-RZNTYIFUSA-N	401.802	3.693	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1cccs1	30803139	PQLTVRXHPNSWFS-FMCGGJTJSA-N	409.467	3.833	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC	59333292	JDHNIAOMDDSZCR-PGMHBOJBSA-N	417.509	3.688	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cn1	3085081	MMTJRFNCCJEBCP-SSDVNMTOSA-N	421.369	3.763	50	40	HHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cccnc1	408791039	VFUBVBLOKNNWQY-DUMOWETNSA-N	407.481	3.697	50	40	HHGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)c1C	408963746	OYASGBAOLKNHOW-NVMNQCDNSA-N	409.227	3.769	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC	4735437	IVXZHVPQCVIQGN-PCLIKHOPSA-N	404.466	3.976	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1cccc(Cl)c1	18033966	UBDNOFUWNUJFRJ-FIQHERPVSA-N	421.516	3.766	50	40	HHGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409048557	RXSWFLAXZKCZSX-OBJFSGHDSA-N	411.414	3.829	50	40	HHGB	
C[C@@]1(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)NC2(CCCCC2)Cc2ccccc21	408734040	FKPWWFCCTZIRIM-ZHNJOBQTSA-N	406.486	3.809	50	40	HHGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	408731458	MTUMOCJOOQCJMB-YDZHTSKRSA-N	417.494	3.886	50	40	HHGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1nccs1	408707907	MMDXRQSUFYQNMZ-LSHDLFTRSA-N	417.853	3.768	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1	33540221	IHVIBBDYJMLWBH-IWIPYMOSSA-N	419.437	3.875	50	40	HHGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccc2c(c1)OCCO2	40139708	INMMGBDAQWFSRQ-OQLLNIDSSA-N	406.829	3.843	50	40	HHGB	
ClCCN(CCCl)CCn1cnc2c(SCc3ccccc3)ncnc21	1730565	ADTDSLAXUILPSI-UHFFFAOYSA-N	410.374	3.898	50	40	HHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O	2395076	UHKFYFRWEPZBCM-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cncn1-c1ccc(F)cc1	6648335	CYSBPHDBLXREBM-UHFFFAOYSA-N	414.440	3.605	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])o1	9905835	VNPYTTRYBPWJRM-SRZZPIQSSA-N	424.369	3.601	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2)cc1	19367286	NRXMEKNMAPPOBW-ZMOGYAJESA-N	419.356	3.570	50	40	HHGB	
O=C(N/N=C/c1c(SCc2ccccc2)nc2ccccn2c1=O)c1ccccc1	26967125	ZQUUBAHROFGXFR-BUVRLJJBSA-N	414.490	3.751	50	40	HHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1	32155851	XXJWJVNAHKOAME-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408612988	YDCVWDRQJNBKNJ-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1	408731607	NXMIRZQAXXKELA-CIAFOILYSA-N	412.519	3.539	50	40	HHGB	
Cc1cc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)ccc1Br	408815802	VAYFWIBOGDIIOU-SVKBEJCWSA-N	420.263	3.765	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)c(C)c1	408932568	XMJZTXCKAZEODH-ZMOGYAJESA-N	405.454	3.659	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OCc1cccc(C(=O)O)c1	409196345	ZDUBDCMBTSYHRR-UYRXBGFRSA-N	420.465	3.938	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1O	886139	RVNOIYVMCSOQGR-UNOMPAQXSA-N	401.466	3.876	50	40	HHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)c(OC)c1	951066	AQHYJVKQVWFQMZ-UKTHLTGXSA-N	416.227	3.757	50	40	HHGB	
COc1ccc(-n2cnc3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1OC	1073814	NQWQHFKGGVCSLW-SFHVURJKSA-N	408.845	3.761	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(C)C	5844359	DEJKKHJMYSUIJS-QGMBQPNBSA-N	408.454	3.682	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C	9235062	QXROBAZOZIBJCN-LDADJPATSA-N	406.442	3.594	50	40	HHGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2[N+](=O)[O-])C(C#N)=C(N)O3)c1	17248201	PUGDDFQVKPGVBA-OAHLLOKOSA-N	423.816	3.865	50	40	HHGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	40138185	LNGDVPRIHPCBBG-RWEWTDSWSA-N	413.477	3.945	50	40	HHGB	
CC(C)Cc1nn2c(/C=N/NC(=O)c3ccncc3)c(-c3ccccc3)nc2s1	41074131	JHKWFQHBPSMYGK-YDZHTSKRSA-N	404.499	3.815	50	40	HHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408794117	HUVXEFGLZPXEFD-KPKJPENVSA-N	402.204	3.912	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)COc1cc(C)ccc1C(C)C	408952366	KDLZJPPHBPDASQ-XYOKQWHBSA-N	408.367	3.789	50	40	HHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccc(Br)c2)c1	409104290	HGNPFRQQVXYGTO-CIAFOILYSA-N	412.243	3.702	50	40	HHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	409211218	MPPRHDCSILXTOC-ZSOIEALJSA-N	417.215	3.973	50	40	HHGB	
COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc([N+](=O)[O-])c1O	409373550	VPDVIDYWIWMLIS-SDQBBNPISA-N	422.178	3.978	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)cc1	934893	QRYTXDAUFAGDDS-TVJQZGFISA-N	411.914	3.821	50	40	HHGB	
N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)c(Br)c1	1073669	DZRWKRHYFAWAPJ-OAHLLOKOSA-N	413.202	3.913	50	40	HHGB	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1	7387880	RRADSUVGIBOAAT-HNNXBMFYSA-N	420.531	3.619	50	40	HHGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccc([N+](=O)[O-])cc1	13882109	PSNVUBXIHJOLRE-LPYMAVHISA-N	402.838	3.816	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1	59151933	TVWWEMLNFNGZNT-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)Nc1cccc(Cl)c1Cl	100310672	OLJGOFJSAMKAPF-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
O=C(Cn1c(Br)nc(Cl)c1Cl)N/N=C/c1ccc(Cl)cc1	2555862	JHGPOEIWWKCWGE-YAXRCOADSA-N	410.486	3.756	50	40	HHGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)[C@H]1COc2ccccc2O1	4579382	BNSYUTTWEDMTQJ-CAZGRJGDSA-N	411.461	3.980	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2ccccc2C)cc1	6502192	OLWODLQFIUXFGB-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	6581871	INEVTBSBJZVCGW-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
COc1cc(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc(Cl)c1OC(C)C	12780909	MXFPGLKZLQOXMC-UHFFFAOYSA-N	420.893	3.593	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2C)cc1	19639762	UCZLDTDEDQCAAC-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NC1CCCCC1	28215319	YUFKKBCOJWFHHT-ZVHZXABRSA-N	413.905	3.932	50	40	HHGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	3174705	GCQHOGHNVMBQKL-YBFXNURJSA-N	406.236	3.910	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2nc1Cl	4168450	RLYPELFLNOCWAP-SFHVURJKSA-N	411.845	3.708	50	40	HHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccoc3C)cc2)cc1	4501986	BNTIJPHGKHTUKR-HKFHHNPXSA-N	404.422	3.979	50	40	HHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C)c1	4616352	APNFAHGTDBAJMP-UHFFFAOYSA-N	408.285	3.790	50	40	HHGB	
CCOC(=O)[C@H](Br)CCCCCC[C@@H](Br)C(=O)OCC	4899951	ODDKGDUYOMCJEH-VXGBXAGGSA-N	416.150	3.980	50	40	HHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21	5031216	BJMMPMBICSKXDO-VZCXRCSSSA-N	418.472	3.947	50	40	HHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1	6441042	SNINYEOSYRXRPR-GOSISDBHSA-N	408.479	3.624	50	40	HHGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1	9259149	SXDXULYLCRYYPK-CAOOACKPSA-N	415.085	3.635	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cccc2ccccc12	100522785	UUVMGBNQYCBXEE-MFKUBSTISA-N	403.438	3.746	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Cl)c1OC(C)C	108007689	PUONYNYLELCLBE-SSDVNMTOSA-N	403.866	3.858	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408611638	RKEHZVHJNNLPAR-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCC1	409028053	JAAQCQODWIYQLD-UHFFFAOYSA-N	405.907	3.582	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409108443	VXHJODQWZODSHX-QGMBQPNBSA-N	412.627	3.783	50	40	HHGB	
O=C(N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1c[nH]c2ccccc12	2632439	OGEQKIOIGBRUKT-BHGWPJFGSA-N	418.438	3.781	50	40	HHGB	
CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3112719	YHMCVDNKYXXZCP-ZMOGYAJESA-N	401.894	3.531	50	40	HHGB	
COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)CCCl)CC2	4088226	IFBKIXMRSJRCEZ-GOSISDBHSA-N	407.869	3.977	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)c(OC)c1	4405495	SELYFBJWOBEIOZ-YDZHTSKRSA-N	403.866	3.800	50	40	HHGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1	4595203	XBEUUBOCCRGXLM-HYARGMPZSA-N	414.870	3.872	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(CC(F)(F)F)nc1C1CC1	253401583	NINCKLGYWRIIMU-OAHLLOKOSA-N	406.408	3.774	50	40	HHGB	
COc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-]	408846997	KYDWIEHFKCOXBI-OCKHKDLRSA-N	418.203	3.876	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	408911299	MTRJPORXMGLYDA-RASHHNMQSA-N	423.444	3.893	50	40	HHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	408949296	AOWJYFXQPUYDCP-FYJGNVAPSA-N	410.455	3.637	50	40	HHGB	
O=C(N/N=C/c1ccncc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl	3166361	QIGFJPUXCYKWEY-KLINPMNRSA-N	404.857	3.656	50	40	HHGB	
CCOc1ccccc1C(=O)NNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	12786727	GJAJUKWGLMEVQH-UHFFFAOYSA-N	410.495	3.983	50	40	HHGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1	4784473	HJTSVONFCVJMKD-FZTAQKCPSA-N	405.838	3.996	50	40	HHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccco1	409222798	CYRPZOCHDCVSMP-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)Nc1ccccc1	408815465	QHPFMBUQBQHYQJ-QGOAFFKASA-N	401.422	3.520	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(Br)o1)CO2	5642770	PYMFKGWPVKVNTK-CIYLQVQQSA-N	407.264	3.630	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)cc1	100048467	KAOXAVIOKIZWCZ-CIAFOILYSA-N	404.264	3.592	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)cc1	695385	TXJVAYZQBPOWLH-AFUMVMLFSA-N	405.454	3.994	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3)=C2C#N)cc1	1295164	GRQWDRVNMSPSQG-SFHVURJKSA-N	407.495	3.714	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	59101424	KHCNDMKRMJOCGJ-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
O=C(NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1	4489568	NOAGMHASBSNGEH-UHFFFAOYSA-N	412.342	3.728	50	40	HHGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-]	409224041	KABGPLCODWXYJT-NBKBGXPHSA-N	405.366	3.571	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	5513553	LGWPRAPXXLBJLZ-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
N#CC(C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1)=C1Nc2ccccc2N1	3284508	ZMQYFARFYQRRGK-JXMROGBWSA-N	411.364	3.686	50	40	HHGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)CSc1cccc2cccnc12	6785666	YEBBJTZZOCWEGP-UHFFFAOYSA-N	404.495	3.588	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1OC(=O)c1ccc(Br)cc1	9934796	WEJCOLKWSYJHHQ-RGVLZGJSSA-N	421.247	3.757	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	33403869	HIHFQSVDRVEFOC-MYYYXRDXSA-N	420.513	3.941	50	40	HHGB	
O=C(CN1CCN(c2ccccc2F)CC1)NN=C(c1ccccc1)c1ccccc1	52534157	KERNZDPHHSUABD-UHFFFAOYSA-N	416.500	3.517	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408608740	IMSFDKZHYZXUQP-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1	409223293	FDFHHCOYWSRCOI-DICXZTSXSA-N	421.460	3.638	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1[N+](=O)[O-]	59433318	XQBKTJJUQJBGNC-CIAFOILYSA-N	408.370	3.764	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1OC	2295051	WNEGKKQQEWXPSO-OEAKJJBVSA-N	424.478	3.677	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1	409368531	ARIMWTRBESQMLV-CPNJWEJPSA-N	419.481	3.551	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1OC	5248558	LCQWFERDGAUETE-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4cc(-c5ccccc5)[nH]n4)cc3c2C1	7191820	UMASAMMUSAHYHE-AWEZNQCLSA-N	413.481	3.758	50	40	HHGB	
O=C(/C=C/c1ccccc1Br)NNC(=O)C12CC3CC(CC(C3)C1)C2	15900599	VKGDMMNEUUZXEW-AATRIKPKSA-N	403.320	3.826	50	40	HHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NCc1cccs1	409207103	PDRPTZWAAXISGM-SFQUDFHCSA-N	418.522	3.549	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1Nc1ccccc1C	408708191	OOKOJGVCYUHQDB-PESDJMORSA-N	422.529	3.892	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3)c3ccccc32)o1	409394099	VPZWNXBECZCPAX-ZMOGYAJESA-N	401.422	3.833	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccccc1C#N	408740773	HZZVMBDOYUYACC-AFUMVMLFSA-N	401.422	3.615	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1O	408678380	XXTFIAGTUVVLHR-CIAFOILYSA-N	418.291	3.527	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)o1	1089200	JTZHPXBXRPONIT-CIAFOILYSA-N	404.308	3.713	50	40	HHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1C	22690821	YAJGFEPZAMUBAT-INIZCTEOSA-N	411.502	3.517	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2c(C)cc(O)c(C)c2O)c(Br)c1	15938624	ZZKWZJXJVARCBK-WNFQYIGGSA-N	421.291	3.623	50	40	HHGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)[C@H](C#N)C12CCCCC2	9317186	XQWCWWRDLOBQNT-HNNXBMFYSA-N	414.918	3.967	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1	5678446	GHIIYSWYXYPPND-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1	3590768	WGYLEPMMHCFELT-KPKJPENVSA-N	403.232	3.718	50	40	HHGB	
COCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1	4515085	YLWRGJXFIRDTCN-ATVHPVEESA-N	415.287	3.698	50	40	HHGB	
O=C(NNC(=O)c1ccccc1Nc1ccccc1)/C(O)=C/C(=O)c1ccccc1	100926835	MSEYMOFUMAVCMY-QNGOZBTKSA-N	401.422	3.516	50	40	HHGB	
C/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1c(C)nn(-c2ccccc2)c1O	408953672	MGTKXNILLKVUAU-UCQKPKSFSA-N	412.877	3.767	50	40	HHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl	408776296	YIZSCCBQXUFGDH-WSDLNYQXSA-N	421.950	3.688	50	40	HHGB	
COc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)cc2)cc1	33664152	OKQRJUOAGTYDBO-MFKUBSTISA-N	417.465	3.997	50	40	HHGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	707505	GIQCNBWFUYNEGC-CABZTGNLSA-N	406.653	3.600	50	40	HHGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@@H]12	102697293	KVUHSMIOTHUGRJ-KKUMJFAQSA-N	412.448	3.859	50	40	HHGB	
Cc1sc2nc(COc3ccccc3)nc(NCCNC(=O)CCl)c2c1C	4882430	LDSKMARQCOIERL-UHFFFAOYSA-N	404.923	3.654	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3c(C)c(C)cc1c32	814344	OQPKDMUZOXBYHT-VWLOTQADSA-N	415.493	3.815	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1	2309633	HBOGHTPWNRCWNY-AUEPDCJTSA-N	400.797	3.834	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)c1	13126935	YWUXGXIYKSEBTF-RGEXLXHISA-N	414.465	3.626	50	40	HHGB	
CCn1c(NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)nc2ccccc2c1=O	9857468	HCKWTVJTHGUKLW-GFCCVEGCSA-N	402.907	3.694	50	40	HHGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	408912732	LPYZBYWTIDAGNF-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	409188369	YQHGXJYFQZSLMM-ROTLSHHCSA-N	422.403	3.729	50	40	HHGB	
O=C(CCCC(=O)N/N=C\c1ccccc1Cl)N/N=C\c1ccccc1Cl	31670058	MVUGBTCJOLGFMC-YFBGDSSHSA-N	405.285	3.764	50	40	HHGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)COc1cccc2cccnc12	1106378	DXUFYSQTNIYQPP-VULFUBBASA-N	406.461	3.812	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2Br)cc1	1445162	YQUAQQUBJIJCKS-UFFVCSGVSA-N	409.715	3.731	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C1	19832301	RAKBOGJTTWUGNQ-RBUKOAKNSA-N	411.431	3.841	50	40	HHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1Cl	408722867	HEAWLHDHTBMPMH-YDZHTSKRSA-N	418.877	3.531	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1OC	409361487	HKPRBACNYHJJLI-YDZHTSKRSA-N	423.425	3.873	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1	6212241	XVZFJANAWLUTAM-UHFFFAOYSA-N	400.276	3.833	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1	9328968	DAGNFZOHZKJAFI-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1	37171096	DQTICXLNEPECJU-NSHDSACASA-N	408.683	3.599	50	40	HHGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]1c1ccco1	84605884	GFPXTAGUTUVQKD-QRVBRYPASA-N	401.447	3.515	50	40	HHGB	
OC[C@@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	103536611	QNSKRAWBTXYONG-IUYQGCFVSA-N	404.010	3.641	50	40	HHGB	
CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSCc1cccc(Br)c1	408719464	FSPIVLXXHPPYBX-PTJLRZKYSA-N	413.337	3.518	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1	408838158	SAHLJRMIBHKGOS-BUVRLJJBSA-N	418.453	3.868	50	40	HHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl	408883022	PZHSLLXUNSFKMH-CXUHLZMHSA-N	400.862	3.979	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	408943376	SGPXJIJIXFJPDV-WMJRALALSA-N	409.317	3.766	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)c([N+](=O)[O-])c1	409270681	HBILJAPPILAJQY-YBFXNURJSA-N	421.500	3.900	50	40	HHGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1	3084162	WXIZWTYHVWYETK-KEBDBYFISA-N	409.229	3.771	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2C)c([N+](=O)[O-])c1	4090733	XSRIKSAODRDAPH-YVLHZVERSA-N	420.425	3.827	50	40	HHGB	
CCCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br	8678169	FBOATFOAKFGJIF-UHFFFAOYSA-N	422.348	3.798	50	40	HHGB	
CC(C)c1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1	36396819	UWKSUPRAYHTCRH-UHFFFAOYSA-N	414.868	3.792	50	40	HHGB	
COCCn1cnc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2c1=O	96115348	LPZLDRFRTRZEQT-OAHLLOKOSA-N	407.561	3.696	50	40	HHGB	biogenic
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2O)nnc1-c1ccc(C)cc1	96449499	QKXASCNZYZWTBL-JCMHNJIXSA-N	409.515	3.612	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1O	408963628	HUTWFATWVRCRBC-AWQFTUOYSA-N	419.231	3.682	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OCC	409363111	KYSFUYUUTQOTNX-WYMPLXKRSA-N	420.296	3.966	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1	409374834	AHUMICJJDNLVRB-BKUYFWCQSA-N	416.481	3.976	50	40	HHGB	
COc1ccc2nc(C)cc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)c2c1	915689	IMZJDYNJMQVOII-UHFFFAOYSA-N	415.902	3.759	50	40	HHGB	
Cc1cccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)c1	109013142	MJGCHFCGTFZVRT-LSCVHKIXSA-N	412.081	3.990	50	40	HHGB	
Cc1occc1C(=O)NNC(=O)c1ccc(COc2cccc(Br)c2)o1	40140401	PERGVKCYEDTESS-UHFFFAOYSA-N	419.231	3.597	50	40	HHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1	5173179	NSBUVMGBRLGGPA-FSJBWODESA-N	409.829	3.767	50	40	HHGB	
O=C/C(=C\NN1C(=O)c2cccc3cccc(c23)C1=O)c1nc2cc(Cl)ccc2o1	16431706	QLAAKVSHUJXRHT-JLHYYAGUSA-N	417.808	3.975	50	40	HHGB	
C/C=C1/[C@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(N)=O)cc1	1087708	JBYIIUHIBQODFE-MNZGKABGSA-N	418.341	3.950	50	40	HHGB	
CCOC(=O)C1=C(C)NC(Sc2ncccn2)=C(C=O)[C@H]1c1ccc(Cl)cc1	1403386	PKYGQSWGFRANDZ-QGZVFWFLSA-N	415.902	3.857	50	40	HHGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=N)c2ccccc21	100823957	SPIFZQRCDKICCW-DOXIRFOWSA-N	405.502	3.956	50	40	HHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1	409227916	XIDJOIPTLUZMNN-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OC	409204146	CFZRMYSPOAURBF-WQRHYEAKSA-N	408.454	3.800	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	3170628	WYZLXMHBSOXFQC-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H]13	102631455	UQSQLEDRQPHCSK-BMMXIWBESA-N	405.075	3.503	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)s1	714271	TVYCFCSISLDZLY-ZDUSSCGKSA-N	401.241	3.835	50	40	HHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1F	1248599	ZYHRKQLHNAHLDF-UFWORHAWSA-N	408.252	3.972	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1	59503474	JRZJFFZDODOITE-LPYMAVHISA-N	409.398	3.929	50	40	HHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O	59459118	BKLKZCYJGXZAPZ-ZMOGYAJESA-N	400.394	3.695	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408851004	UFRFGEHNSAJXQF-KSEXSDGBSA-N	411.845	3.915	50	40	HHGB	
CCCNC(=O)N(NC(=O)NC1CCCCC1)c1nc(-c2cccc(O)c2)cs1	5243540	ZNGIWHHXYOTTLX-UHFFFAOYSA-N	417.535	3.989	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CCc2ccccc2)cc1OC	408955934	PRINFMYEQMVLDP-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)c1	36618843	VGXMZPAXRVPNFV-QGZVFWFLSA-N	408.845	3.965	50	40	HHGB	
Cc1ccccc1C(=O)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C	40144680	FUAMMYDWVCWOHB-UHFFFAOYSA-N	405.502	3.755	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	12582558	DKJBOLQZQHLFCL-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)OC(C)(C)C)c1O	2295882	IYQVVLUDPMSPGH-OMCISZLKSA-N	424.089	3.784	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C	2389594	SYBFVUJEYDBWKQ-AFDUHFSSSA-N	411.914	3.821	50	40	HHGB	
O=C(CNC(=O)c1ccccc1C(F)(F)F)N/N=C/c1ccc(Cl)cc1Cl	2451468	YZEXBNVYNLMADP-KTZMUZOWSA-N	418.202	3.892	50	40	HHGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1	19682738	HPDBWLIJVYQKSX-LFVJCYFKSA-N	419.356	3.651	50	40	HHGB	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc(C(F)(F)F)c1	96663141	MXVNPSSNDADVBF-WCIBSUBMSA-N	405.288	3.888	50	40	HHGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)cc1	100751663	SBPLTGCGBOSCBQ-OEAKJJBVSA-N	403.866	3.657	50	40	HHGB	
N#CC1=C(SCC(=O)NC2CC2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	100921009	FSOLOGDQLBKTOZ-LJQANCHMSA-N	413.930	3.781	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	408787898	APEINHDXTOGZCT-UHFFFAOYSA-N	401.532	3.826	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)OC)c4ccccc34)cc2c1	409187291	ONGNFURVJLMHLW-MSXFZWOLSA-N	419.437	3.723	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	409225280	MQSFMQNISRUFLY-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	4944750	CYBKZIRHFSUAJV-QHCPKHFHSA-N	416.868	3.751	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC	12275930	JPYLYXYLTRZCQL-SBUREZEXSA-N	422.506	3.655	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccco1	2394287	JMYMYHNPXNVXNN-ZMOGYAJESA-N	422.437	3.653	50	40	HHGB	
COc1ccc(CC(=O)NNC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1	13011658	HJXDNDCEWQNEKS-UHFFFAOYSA-N	409.511	3.946	50	40	HHGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408793046	CUXWEUYNQINNOF-VZUCSPMQSA-N	407.209	3.708	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c(F)c1	408967939	SVUPVOCOCFZNRQ-LGJNPRDNSA-N	417.396	3.738	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(=O)Nc1ccccc1	409189325	JHLGZCJFZWWLJQ-AQTBWJFISA-N	419.481	3.678	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	6033915	NUPMHOUDWGWSIP-GZTJUZNOSA-N	410.857	3.883	50	40	HHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21	2226033	CTIBXXFIRJXEAW-QFIPXVFZSA-N	413.477	3.822	50	40	HHGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(O)cc2O)c(C)cc1Br	3232472	HTAJPXVWRNSSQT-UFWORHAWSA-N	409.305	3.720	50	40	HHGB	
CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCC)cc2)sc(C(C)=O)c1C	15222200	FEOHAGRWTLYIKC-UHFFFAOYSA-N	417.487	3.990	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1	20059205	OMHKTYGLVJAGIJ-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	32125490	JPCUDNNTZBPNTL-UHFFFAOYSA-N	421.950	3.823	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1ccccc1F	59101756	KPPXENJCGJIADH-DHRITJCHSA-N	409.392	3.633	50	40	HHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)c1	408971809	QLUAVOGDSYSHML-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc21	2624446	SCHAHZUXHZHQRP-UHFFFAOYSA-N	414.893	3.637	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1	7003982	HFSKGCCWEBVGAE-FSJBWODESA-N	408.410	3.734	50	40	HHGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NNC(=O)c1ccc(Br)cc1	879632	FNDCVEXEZASGFE-PWSUYJOCSA-N	406.107	3.801	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccccc2)c1	996238	ZZCUAWPCOSZBSB-QFIPXVFZSA-N	420.465	3.919	50	40	HHGB	
O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc2ccccc2n1	12528308	AJPIFYVQJHBHHK-UHFFFAOYSA-N	419.444	3.920	50	40	HHGB	
C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1	408730374	QGHHKRJRJOHJEV-YDZHTSKRSA-N	409.442	3.989	50	40	HHGB	
COc1cccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1O[C@H](C)C(=O)O	409229262	MHDOJNTXJWWCFK-ATDKOCKZSA-N	416.437	3.556	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC	408896188	PZRWWPMHIPPMES-AWQFTUOYSA-N	405.863	3.741	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc(Cl)c4Cl)[C@@H]13)[C@H]2Br	408682683	GPTVDKGDUDWTKM-AGICCKOJSA-N	405.075	3.503	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1	33533993	CCUZTXYCFSHFSR-UHFVFUGDSA-N	403.394	3.626	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccccc2Br)c1	829293	MUCNPZQSODAKLZ-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(O)cc43)[nH]c2c(OC)c1OC	1646896	KFMLAUJMEDHHPN-LBPRGKRZSA-N	416.861	3.882	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)cc1	9693237	HGLQMTNHSYVQDW-KRWDZBQOSA-N	423.494	3.629	50	40	HHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cc2c(s1)CCCCC2	12927868	XYEDUGUNCVWBKL-UHFFFAOYSA-N	419.355	3.947	50	40	HHGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	13801964	IBMKAJUMBOVTRO-CYVLTUHYSA-N	416.481	3.819	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	16216508	VUAPCSBHCXBBLY-MBOZVWFJSA-N	414.387	3.884	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1	20348049	YDKWVXIRCPNXFW-LJQANCHMSA-N	406.511	3.695	50	40	HHGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	26921072	PGCUOAMHDLBZBD-UKTHLTGXSA-N	415.243	3.877	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)oc2N2CCCCC2)cc1	41154490	RLQPUYNSNGSQBB-UHFFFAOYSA-N	404.470	3.715	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	58913427	VEDCIZOICUYGMY-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408814836	GOWOAEMGNMMUAY-QPEQYQDCSA-N	418.808	3.585	50	40	HHGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2	4944759	SPGXRAJQLRMUMF-XMMPIXPASA-N	414.440	3.545	50	40	HHGB	
N#C/C(=C\c1ccccc1OCC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl	23990637	CCKDEQHWEMAIII-NTUHNPAUSA-N	412.250	3.795	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c1	107793512	WPJDCKWKWPSMAG-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC	12692517	QJNJUKCMMFVEFJ-UHFFFAOYSA-N	418.449	3.793	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(OC)c1	20116063	JTFXRIPCLPFKLQ-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c(O)c1	4711895	SCDRGFMOEJGWRS-HAMGHATCSA-N	419.481	3.682	50	40	HHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(C)n(C)c2ccccc12)c1ccccc1	409001630	JSHLNKSETRLPQU-UDIPQKBFSA-N	406.486	3.814	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(Br)o1	409230525	FCLWUEWBRWJGOE-IDUWFGFVSA-N	404.033	3.637	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc(OCC)c1O	408809569	HWAANQWPJXCDPK-XKZIYDEJSA-N	400.500	3.770	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br	13345123	JJSCTOZXCYHZCH-XYOKQWHBSA-N	401.216	3.702	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	100879242	JJRVIHWWZZMRLG-NDBYEHHHSA-N	415.125	3.730	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1OC	20503909	SHTBOGSWNFVHSV-MRXNPFEDSA-N	411.483	3.512	50	40	HHGB	
Cc1occc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	1475169	OZTDEDHFBRVVHN-OMCISZLKSA-N	402.042	3.583	50	40	HHGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1	1903519	OJXFPLMLVDEXAY-OBGWFSINSA-N	418.449	3.612	50	40	HHGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1sc2ccccc2c1Cl	4672725	QNZBGUNMDQSHDP-UHFFFAOYSA-N	401.875	3.735	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1	36047059	CBHJHSVEFKBIRZ-IERINAHZSA-N	401.422	3.757	50	40	HHGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1C	10118474	NZDZKORTUQJKMU-RGVLZGJSSA-N	417.250	3.855	50	40	HHGB	
CCCC[C@@H](CC)CNC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	4700483	NAYVXGMGCXFSSK-CQSZACIVSA-N	415.456	3.579	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1	9329207	TYLRFUUWRGQVSH-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1	408873308	SOSCODLHOWQHDE-YZSQISJMSA-N	417.465	3.867	50	40	HHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2ccccc2OCC)sc(C(C)=O)c1C	942133	VJOLUBNNOFXLMP-SRZZPIQSSA-N	417.487	3.990	50	40	HHGB	
O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	2350217	VVMPSJICPJOGKO-ROMGYVFFSA-N	419.868	3.786	50	40	HHGB	
COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1	2752909	XORKOPCUCZMGKP-UFFVCSGVSA-N	410.257	3.577	50	40	HHGB	
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	4508131	WINDVJDZQPWWFA-LJQANCHMSA-N	407.451	3.889	50	40	HHGB	
COc1cccc2cc(C(=O)N/N=C/c3cccn3-c3cccc(C(=O)O)c3)oc12	4703684	ROYWCPCWWRYHDA-YDZHTSKRSA-N	403.394	3.694	50	40	HHGB	
CC[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(C)cc2)C1=O	5563001	ZEXHGDQGDBYHAE-LOKSUBMMSA-N	405.523	3.948	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1	18154174	LALIOYDWYONTID-IWDIQUIJSA-N	421.516	3.766	50	40	HHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1C	408970257	DRPINZGZHQCPKO-VULFUBBASA-N	422.916	3.822	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1	409222529	DQGAOIOKZQZQIY-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(O)c1	409393547	YGRYOAMQTBEDPU-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3ccccn3c2=O)cc1	2201941	FRUKAPKJBQSCJM-OBGWFSINSA-N	413.481	3.539	50	40	HHGB	
CCCN1CC=C2[C@@H](C1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	19827451	PDFACFCEWVRGKX-MJGOQNOKSA-N	411.431	3.841	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC	409334102	RSAJZEQPKNTHCU-JLPGSUDCSA-N	410.470	3.659	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C	223153811	MOXZJBBHULBXMA-UUYOSTAYSA-N	406.398	3.560	50	40	HHGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@H]12	8735677	KVUHSMIOTHUGRJ-KFWWJZLASA-N	412.448	3.859	50	40	HHGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1[N+](=O)[O-]	2675963	SLVQELDBKCDLCS-OEAKJJBVSA-N	416.865	3.689	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	2331510	LJEYUIFLRFMRKF-IBGZPJMESA-N	407.495	3.923	50	40	HHGB	
C/C(NNC(=O)c1cccs1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112290652	CAYWHROCYPGQDM-RGEXLXHISA-N	420.469	3.847	50	40	HHGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1O	409213371	TVDVOJWWKAQBJW-SDQBBNPISA-N	422.178	3.978	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccccc1Cl	4599819	WCRXLIUFAROOIN-SSDVNMTOSA-N	412.273	3.852	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1[N+](=O)[O-]	4833409	CKZIOGKHJIAUAY-FQEVSTJZSA-N	417.425	3.624	50	40	HHGB	
O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1	31670115	SBWKHSFTYXJGTB-UCQKPKSFSA-N	409.829	3.634	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC	622672	HBSYUBKBHDFTOC-KRWDZBQOSA-N	408.845	3.965	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	1434876	APVMXAPLOVSCCV-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
COc1cc(C(=O)CCC(=O)O)c(OC)c(CBr)c1CBr	1702770	OQBMIAMGFFJESE-UHFFFAOYSA-N	424.085	3.541	50	40	HHGB	
Cc1cc(C(=O)N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccccc1	6626392	DJRBWBQZYQGRHQ-UHFFFAOYSA-N	403.398	3.738	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1	12275550	JCUIBYWUGRMTFY-MBSDFSHPSA-N	422.506	3.737	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)cc1	12802489	CCDOEEOZFLGIFY-UHFFFAOYSA-N	408.451	3.625	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	16217212	RSVDPDNLIPGFCY-UUYOSTAYSA-N	422.466	3.845	50	40	HHGB	
N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1F	19830780	UVPKDPIIAVZOOQ-QZNHQXDQSA-O	404.490	3.552	50	40	HHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc2ccccc12	19861382	XVWXNMZFKYUGTP-WGOQTCKBSA-N	420.944	3.761	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	20238103	LLZDFDCKTIHBRK-GOSISDBHSA-N	406.467	3.810	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCC#N)c2)c(C#N)c1C	408547582	ZBRXNORJUCPRPU-CXUHLZMHSA-N	419.462	3.726	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707116	GZOLOLUDJMQEJL-FOKLQQMPSA-N	407.301	3.959	50	40	HHGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	408974911	FMLMBQQSYFDWMS-QPSGOUHRSA-N	422.228	3.817	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2)c1	409044087	GRADLHNOMZTUER-CCEZHUSRSA-N	400.434	3.689	50	40	HHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	409109506	GJYJWWIFIRXLQO-YXUUZYBBSA-N	413.543	3.529	50	40	HHGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	874807	FRQXZRWRMYDSTG-IBGZPJMESA-N	409.467	3.520	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2C)cc(OC)c1OC	1433590	AGJWPWJAYBUOAD-ZMOGYAJESA-N	414.502	3.847	50	40	HHGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)c1	1434118	GBPMINJPPHZSAS-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CC1(C)Cc2c(sc3nc(C4CCCCC4)n(NC(=O)CCl)c(=O)c23)CO1	2297587	LPPKYACTENKJJV-UHFFFAOYSA-N	409.939	3.666	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(C)cc1	3242713	JNDASLJJNZPKAY-VIZOYTHASA-N	401.260	3.737	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C	5006521	UZRIBIBTQPKMDN-GZTJUZNOSA-N	408.527	3.576	50	40	HHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2=O)cc1	9235119	HITPMFPOFCCHPE-LKYUAURQSA-N	406.269	3.505	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	58883465	QWCHZAZZJUYIQF-CIAFOILYSA-N	402.292	3.835	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1	408726813	CLOCNPMZYNMXBW-ZMOGYAJESA-N	420.421	3.545	50	40	HHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(Br)ccc2O)c(C)c1	408913215	SDQTZOLLGXPBOY-CIAFOILYSA-N	405.292	3.945	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C	409018995	ZWJSSJNMBZDCHO-OYKKKHCWSA-N	421.453	3.768	50	40	HHGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	2643104	NPDVPMVTJYDVCI-LFIBNONCSA-N	403.276	3.953	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)c1	12275753	XJNXMJXCTZEELR-DYESRHJHSA-N	412.898	3.992	50	40	HHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@H]2C)c1	34864326	IQKLIKQKJBTCDX-VGLIXDPASA-N	415.515	3.792	50	40	HHGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C	408592058	XIRLYQNVVSVORR-HLQTZPMBSA-N	411.889	3.940	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)c1Nc1ccccc1C	408707645	LJCDYYPDECSJGN-AFUMVMLFSA-N	420.444	3.975	50	40	HHGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1	408774191	BUXNKGLZGWDSRZ-UCQKPKSFSA-N	406.442	3.704	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408935582	GDFDYWOURVQBSB-ZOCVZFIWSA-N	409.317	3.766	50	40	HHGB	
Cc1nn(-c2ccccc2)cc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	2325182	XCQPZXWFCMMZFA-JOCHJYFZSA-N	408.465	3.893	50	40	HHGB	
N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	4944749	STZFYZBOISLHMJ-HSZRJFAPSA-N	416.868	3.751	50	40	HHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)cc2)cc1	6966023	CLWUKCPQAANHBF-LGJNPRDNSA-N	417.465	3.865	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)[C@@H](C)Cl)o2)cc1	9062274	JBCYAPHZGMXJMQ-LLVKDONJSA-N	400.822	3.563	50	40	HHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1	16693981	QGVHHYOISKYPKY-GHXNOFRVSA-N	420.281	3.646	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	16758931	GPLRRCMRMRRPPO-JQSQVVPISA-N	418.305	3.905	50	40	HHGB	
CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1	35288869	SWCKRECMXLTVLJ-UHFFFAOYSA-N	409.511	3.668	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(I)o2)c1	59399137	PFTPZUNUFQJGGI-DHZHZOJOSA-N	408.195	3.829	50	40	HHGB	
CCc1cc(=O)oc2cc(OCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)ccc12	97568619	LUWXUFZDARUJLJ-UHFFFAOYSA-N	415.449	3.625	50	40	HHGB	
CC[C@H](c1cccc([C@@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC	220699644	QBJCTMPFQNLSMC-QZTJIDSGSA-N	402.636	3.508	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3)c2C)cc1	408742984	QYFJCLWVVIZTEB-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
COc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)cc1	408852376	SYSOWNGWEOGKCQ-ODLFYWEKSA-N	407.268	3.807	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408888437	VKQPERVKVWFVSC-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1Cl	408971842	MFKOEXSIFKLPOJ-VULFUBBASA-N	422.916	3.822	50	40	HHGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	409217914	FSQMKKKUBYOULU-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccco2)c1	409219534	RORDSXMAUOTOLN-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409260259	NLAPUIHSUMPFFJ-YQWDGLBASA-N	403.404	3.771	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	59334283	JAOGCLBPFLAMPB-CHHVJCJISA-N	415.833	3.831	50	40	HHGB	
Cc1ccc(C)c(NC(=O)[C@H](NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c1	3322253	JZQGABRDRHVIDY-OAQYLSRUSA-N	418.453	3.826	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccc(Br)c1	409008329	VZBZJEUDUGCFDJ-UDWIEESQSA-N	417.263	3.721	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)cc1	409349599	UIHYUGVRNDAVNM-DHRITJCHSA-N	409.417	3.825	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c(C)o1	32795364	NZBRSDZXAKBLFO-UHFFFAOYSA-N	400.866	3.934	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C	408910381	JVVGMMDNVNOFDE-ZMOGYAJESA-N	405.454	3.873	50	40	HHGB	
CC1(C)COc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCC3(CC3)CO4)cc2OC1	225371231	UAMJNNMJLZOFNK-OPEKNORGSA-N	422.481	3.799	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1	3162258	QUIXLPCUDIIPMH-LEBHPONQSA-N	401.466	3.593	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(OC)c1	6206219	PYFARFTYWDBSMJ-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)CCCCl)scc12	9381296	VEQLLKCBNUFNFR-UHFFFAOYSA-N	419.890	3.581	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1O	4614120	TXUQXCWMFNHRCQ-UFFVCSGVSA-N	410.257	3.577	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)cc1OC	6560703	PWDQOSYXQUPSOG-MHWRWJLKSA-N	404.388	3.988	50	40	HHGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1	10118566	VVSMGQKZFQCUQB-XDHOZWIPSA-N	406.223	3.620	50	40	HHGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1	12292639	YMCIWJOQRCWVEI-GOSISDBHSA-N	404.466	3.656	50	40	HHGB	
O=C(Cc1cccc2ccccc12)N/N=C1/C(=O)Nc2ccc(Br)cc21	14922017	OVFPOZFKAYARPK-UHFFFAOYSA-N	408.255	3.617	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc2c(c1)OCO2	20029482	NELGWBDLQWNGRE-QGZVFWFLSA-N	405.479	3.630	50	40	HHGB	
C[C@@]1(C(=O)N/N=C/c2ccc3c(c2)OCO3)NC2(CCCCC2)Cc2ccccc21	28617456	QNAJUOXJYMDWOP-XTVKVDEJSA-N	405.498	3.629	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC#N	408755434	UVOTXDDHXDAQAY-ZROIWOOFSA-N	412.243	3.906	50	40	HHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408799305	YVEPBFGOJOAYLX-NTEUORMPSA-N	415.243	3.547	50	40	HHGB	
O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NNC(=O)c1ccco1	1376443	IGXZKGYDCGKXCI-UHFFFAOYSA-N	410.499	3.824	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	4735374	LXVGFHZMELBQMA-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NNC(=O)c1ccccc1	5445392	CDGYTOADUMEDCB-UHFFFAOYSA-N	404.510	3.994	50	40	HHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1	7036932	PVCSWSPKOSSZSM-QMMMGPOBSA-N	411.207	3.951	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1	10475789	NMQARKSDHCWTPM-BUVRLJJBSA-N	406.438	3.825	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(Br)c1O	30838823	BIYGWVZODAYCLX-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
NN1[Si]2(CCCCC2)O[Si]2(CCCCC2)N(N)P1(=O)Oc1ccccc1	195753673	BHTFWLUXIKRHFV-UHFFFAOYSA-N	412.579	3.807	50	40	HHGB	
COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC(C#N)=C(N)N21	408605562	MBAKYQHLFYFHDH-MRXNPFEDSA-N	418.906	3.685	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1	408888169	SWOWXFGWXMJYRJ-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409113365	FSHVPRCOYVRVMU-LFVJCYFKSA-N	421.522	3.892	50	40	HHGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)c1	409227195	UCDYLGRKKLTCBL-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)cc1	409393571	YPBYBLPRJHLMNQ-YDZHTSKRSA-N	408.410	3.601	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c23)cc1	917820	ORHYECHQOQIJAT-CYBMUJFWSA-N	400.529	3.558	50	40	HHGB	
CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C[C@@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	4631762	MHTZLADISVCCNT-GTQUEGJOSA-N	411.509	3.683	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)cc2C)cc1	7727805	LRIUGZFBVMRYIA-UHFFFAOYSA-N	400.525	3.964	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C(\CNC(=O)c1ccccc1Cl)c1ccccc1	18191642	AKTDZKTXVIZVBM-YYADALCUSA-N	405.885	3.833	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)c1	33702813	CZUNOMDHKPGBTG-OYKKKHCWSA-N	405.454	3.740	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)OCO2	105052341	HGEQTUOSXUVROX-FSJBWODESA-N	419.393	3.666	50	40	HHGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)NCc1ccccc1	408747916	VRWDFGQBKNPKBF-GDNBJRDFSA-N	418.365	3.986	50	40	HHGB	
COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1OC	408904079	DJZYZCYLMHQQEY-JMIUGGIZSA-N	422.279	3.939	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408935578	GDFDYWOURVQBSB-WMJRALALSA-N	409.317	3.766	50	40	HHGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)c(C)c1	408961141	ANTZXCHOCWCKLR-NVMNQCDNSA-N	409.227	3.769	50	40	HHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)cc1	409007184	UWHPMMYQJWZYOA-PCLIKHOPSA-N	407.514	3.821	50	40	HHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)C(=O)NCc1ccccc1	409102684	ZIFDWOYUCLQWHQ-GZTJUZNOSA-N	417.450	3.759	50	40	HHGB	
CC(=O)Oc1ccccc1/C=N/NC(=O)COc1c(C)cc(Br)cc1C	830854	BWBFVBKUCDVDFO-UFFVCSGVSA-N	419.275	3.520	50	40	HHGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH]c2cc1C	9235307	VOZHSIISFNAFPR-GZTJUZNOSA-N	403.442	3.989	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(N2CCCCC2)cc1	4674097	BUJXCYMKYYAELT-HYARGMPZSA-N	416.319	3.969	50	40	HHGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(F)cc1	409264686	PDHALQIAWLPEIR-CIAFOILYSA-N	406.255	3.847	50	40	HHGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)COc1ccc(Br)cc1	408960538	MODDABXYCQIORZ-LPYMAVHISA-N	416.319	3.887	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c(C#N)c1C	409174307	RNJAXBXTZDVGEY-FOKLQQMPSA-N	405.414	3.848	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O	5718519	WNQACENOYLPBKJ-BUVRLJJBSA-N	419.437	3.672	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1	6355253	HTOAUWGVVSQRHU-SFHVURJKSA-N	415.559	3.803	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(SC)cc1	408605109	KPUZEQWCXLBPEY-QGZVFWFLSA-N	413.572	3.662	50	40	HHGB	
COc1ccc(SCC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1	408949960	CTFSPQHHNJVKCZ-HAHDFKILSA-N	408.527	3.794	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Cl)cc2)CC1	5632889	KRTKDSBDCPTTHH-LPYMAVHISA-N	400.866	3.611	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccco1	1434026	JQKHMAXSTKBZSJ-ZMOGYAJESA-N	422.437	3.653	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)C(O)(c1ccccc1)c1ccccc1	2306826	MFBNOVHQKIMWOR-XIEYBQDHSA-N	403.482	3.656	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc21	12413814	AAIJCFQQRWBAFC-HEFXARFJSA-N	409.471	3.872	50	40	HHGB	
Cc1cccc(/C=C(/C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c2cccs2)c1	32906919	HDUSSQTVUBWIJY-QGOAFFKASA-N	420.490	3.830	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)OC	408793030	CXTPLGAQZUSHKL-LDADJPATSA-N	408.454	3.745	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)cc1Cl	409054074	QXGZARWQJKZHQM-QGMBQPNBSA-N	414.630	3.723	50	40	HHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl	409195123	PLCSVACYEILARZ-IFRROFPPSA-N	401.633	3.874	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)o1	4853765	LCGGLAMWYLJEQX-LSFURLLWSA-N	409.427	3.751	50	40	HHGB	
COc1cc(Br)c(CBr)cc1I	169796334	VSCZOQMUSHTBSR-UHFFFAOYSA-N	405.855	3.957	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408965642	LCVFTRKNGBIOQA-DJKKODMXSA-N	418.203	3.876	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1	12275023	TYSZQHVETSFFDL-VGSWGCGISA-N	410.470	3.868	50	40	HHGB	
C#CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12	409019164	PQOWGXYHURCWAK-YUMHPJSZSA-N	409.445	3.929	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)C(F)(F)F	5446886	MLLKSLCYQQMPLC-UKTHLTGXSA-N	406.364	3.545	50	40	HHGB	
C[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@H]1Cl	4746253	HCSIHWBZGLSAHA-CIYZGXILSA-N	401.098	3.693	50	40	HHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1	9590806	MCTUSAOKJRXFPH-PKOBYXMFSA-N	417.864	3.598	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNC2CCCCC2)c1C	409377490	ISPLCGKOQVCHJR-ZMOGYAJESA-N	411.506	3.683	50	40	HHGB	
N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccc(I)cc1	408926919	ZCUDSKJNORLJCX-FMIVXFBMSA-N	418.190	3.535	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1OC	1435811	VANCKPRWTHHKRR-WGOQTCKBSA-N	418.493	3.707	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2Br)cc1	3079627	ZILJILYARZBKND-CIAFOILYSA-N	419.275	3.552	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1	3162260	QUIXLPCUDIIPMH-OAKZWBAKSA-N	401.466	3.593	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1	4808589	ZCWBEIJXBFYJQN-CAMHVTRGSA-N	401.510	3.992	50	40	HHGB	
COc1ccc(C(=O)N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)cc1OC	6470327	DDNHYJUAHVDXTL-OOAXWGSJSA-N	414.465	3.957	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408944821	VRAOBQSYAUAYNE-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC	409110298	BFJXBYVJALWWIM-STCDJXRXSA-N	402.472	3.780	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1	6355276	DKWYWUUBPKVRAU-GOSISDBHSA-N	413.543	3.560	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)c1	6761461	DKECVOLFHGEQLZ-SSDVNMTOSA-N	410.361	3.716	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1cc(Cl)cc(Cl)c1	58911393	SPTZXGDPJAYZIA-LSHDLFTRSA-N	409.317	3.766	50	40	HHGB	
Cc1ccc(-c2oc(/C=C/C(=O)NN)cc2Br)c(Br)c1	57353795	ALSJQXXENOLVBF-HWKANZROSA-N	400.070	3.783	50	40	HHGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)ccc1O	2241218	FAHVXOIIVWYVAS-KRWDZBQOSA-N	407.495	3.929	50	40	HHGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)c1	408949730	BWKYHXAUPNXIDQ-XYGWBWBKSA-N	404.514	3.943	50	40	HHGB	
COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2Cl)c1	16136936	JDSHXIHFUZSNJL-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c(OC)c1	2444142	GIOGCQPZGOYDNM-SFHVURJKSA-N	407.495	3.923	50	40	HHGB	
O=C(CCCC(=O)N/N=C/c1ccc(Cl)s1)N/N=C/c1ccc(Cl)s1	2754184	WZRALZHZTLRIEZ-GCBPPVMSSA-N	417.343	3.887	50	40	HHGB	
Cc1cccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c1	2794687	XKFRNAUHJYQIHD-UHFFFAOYSA-N	401.385	3.863	50	40	HHGB	
CCOc1cc(Cl)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC	6958545	QCDRIPVNCUBFEA-UFFVCSGVSA-N	422.938	3.787	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(C)cc3)o2)cc1	13882030	TXJVAYZQBPOWLH-QFEZKATASA-N	405.454	3.994	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(=O)NC1CCCCC1	409007260	NHVXNCGEFOKVRE-LFIBNONCSA-N	408.410	3.699	50	40	HHGB	
N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1	409201121	NVZOXLPFQHWQBQ-FNUHDPNESA-N	410.477	3.763	50	40	HHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OCC)c2)ccc1OC	409318952	YUWPNQVYVFQSIV-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
COc1ccc(CC(=O)NNC(=O)c2sc3cc(OC)ccc3c2Cl)cc1	674894	NJISYNXKWZEPHE-UHFFFAOYSA-N	404.875	3.576	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	107973956	CUUSZXTWDQKILS-MYYYXRDXSA-N	417.513	3.882	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)c(C)c1	58914203	HXMURNGSBKZBNJ-YUMHPJSZSA-N	416.525	3.868	50	40	HHGB	
COc1cc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc(OC)c1OC	3208276	ZNQVSQMGLFVBFI-MCORFEDZSA-N	409.486	3.740	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	2441278	FPLZWYWYEGXMDB-NRFANRHFSA-N	417.440	3.571	50	40	HHGB	
O=C(Nc1ccccc1-c1ccccc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408688103	VSSPDWDNOWXQGH-CRCHGLNGSA-N	412.283	3.863	50	40	HHGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1N1CCCC1	408851066	VOMCGELSRXVPEJ-DIBXZPPDSA-N	413.521	3.981	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccccc1OC	409196441	VLYSIJVMTRPQAG-NBVRZTHBSA-N	422.481	3.737	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1O	408998785	SDTCFPUWVFFAGH-XXRCXLCKSA-N	415.449	3.817	50	40	HHGB	
N#C/C(=C/c1cc(Br)ccc1O)C(=O)NCCc1c[nH]c2ccccc12	408845534	HPMRFBYZQSXXEO-DHDCSXOGSA-N	410.271	3.902	50	40	HHGB	
Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	409140808	FXIUXFQINCXEOM-CYBMUJFWSA-N	401.875	3.952	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OCC	409314734	TULNROHIMHPTAI-UQQQWYQISA-N	422.481	3.825	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1	408589814	NAOFJVKEYKOHSY-OPEKNORGSA-N	408.433	3.524	50	40	HHGB	
COc1cc(OC)c(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1Br	409364523	NWOMKORXDXXTLQ-NHDPSOOVSA-N	405.292	3.776	50	40	HHGB	
O=C(Nc1cccc(Cl)c1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408682685	GPTVDKGDUDWTKM-AGSGAWAUSA-N	405.075	3.503	50	40	HHGB	
O=C(CCBr)Nc1cc2c(cc1C(=O)c1ccc(F)cc1)OCCO2	13945491	HLUOAEAUYWQLFM-UHFFFAOYSA-N	408.223	3.551	50	40	HHGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	9445856	JRLVNUIEXJSBQB-PTNGSMBKSA-N	414.446	3.992	50	40	HHGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nc3ccccc32)cc1	4829667	KYSAGAAOICTZNN-UHFFFAOYSA-N	416.506	3.887	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OCC	5006537	BMMARCAUSUNGQE-RBZZIRITSA-N	414.502	3.629	50	40	HHGB	
CCn1c(SCC(=O)N/N=C\c2ccc(N(C)C)cc2)nnc1-c1ccc(C)cc1	30743026	NKECMVHYIVUGML-UCQKPKSFSA-N	422.558	3.582	50	40	HHGB	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1	408599428	URXCBXQNKDLTBV-RVDMUPIBSA-N	407.455	3.964	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc(C)c1	408735709	WNWVPJMEIALOQG-HNLWVNFGSA-N	406.482	3.785	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCC(=O)O	409051274	BIYJLNMVWOLNSM-ODCIPOBUSA-N	411.241	3.538	50	40	HHGB	
N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2	409204756	JEUJJEPVDDVJRX-AWNIVKPZSA-N	424.254	3.882	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OC)c2)cc1OC	409335851	PIXJAFOMRHXGKX-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409374892	BAWGKDJMTYVONH-SSDVNMTOSA-N	404.854	3.881	50	40	HHGB	
CCC(=O)Nc1ccc(-c2csc(NNC(=O)c3ccccc3C(=O)O)n2)cc1	1251412	XYBQBJIALNFYTO-UHFFFAOYSA-N	410.455	3.614	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OCC	7894047	KOKLHUKOPIGWLQ-FYJGNVAPSA-N	401.260	3.624	50	40	HHGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(I)cc1	108210479	CUTNTFUBZKIGMQ-WQLSENKSSA-N	419.178	3.745	50	40	HHGB	
CC1=NN(C2=N[C@H]3CC[C@H](Br)[C@@H]3S2)C(=O)[C@@H]1/N=N/c1ccccc1	101052881	VVEWGYNQQNSCFR-FOGHLJJTSA-N	406.309	3.754	50	40	HHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1	408718959	XVCXLYAHQQXPFJ-YDZHTSKRSA-N	418.877	3.531	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O	8843013	ZTRLEWOKKMFKLP-KEBDBYFISA-N	414.215	3.980	50	40	HHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	5748185	BWUBSIBHSHPKJK-DJKKODMXSA-N	406.236	3.503	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1F	408794668	AOWKTQNPHMEEPD-KPKJPENVSA-N	419.206	3.597	50	40	HHGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(O)cc1	409042312	MGFSJJYYYHYHQW-NBVRZTHBSA-N	413.433	3.955	50	40	HHGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc2ccccc12	409101452	UBSREMXNLAHPQN-XYGWBWBKSA-N	403.482	3.514	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	4210228	BHHFLSCIZCEMGK-OVCLIPMQSA-N	414.845	3.755	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)c(C)c2)c(OC)c1	1917764	CEBZUEBVJKLKOV-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)Cc1ccc(Cl)cc1	100059560	DAQLKYDWFWAXGV-DHRITJCHSA-N	401.938	3.706	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C(\C)c1ccc(-n2cccc2)cc1	5139752	GZUWBGLKCSWSLY-ZVHZXABRSA-N	410.861	3.618	50	40	HHGB	
Cc1cc(I)cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O	9972364	BMSAMHBJTAVGTB-LSCVHKIXSA-N	414.630	3.723	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(Br)cc1OC	408993812	GCUXGVHQYCHNMP-QPEQYQDCSA-N	405.248	3.673	50	40	HHGB	
NNC(=O)CCc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	226342116	DIBGCPMFHDDIKC-UHFFFAOYSA-N	401.663	3.743	50	40	HHGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc(C(=O)OC)cc3)[nH]n2)cc1	30743170	ZNAPYBSEGZZARO-IWIPYMOSSA-N	420.469	3.806	50	40	HHGB	
COc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)c(OC)c1	100868367	AIRKOCWUHPLTJO-NIKGAXFTSA-N	410.308	3.801	50	40	HHGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	33622424	DHXBNDAZHBXOIQ-CYVLTUHYSA-N	409.511	3.797	50	40	HHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc2ccccc2c1	724175	GPEXAHJKECPQCY-UHFFFAOYSA-N	413.271	3.751	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1	103126964	BQGBHTNCXJAOAN-SDXDJHTJSA-N	421.501	3.744	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n1	12796841	LGCMBCXCGXBQAN-UHFFFAOYSA-N	417.494	3.633	50	40	HHGB	
O=C(CN1CCCC1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	4525833	ZFMOCZWNDDLMAL-CIAFOILYSA-N	402.838	3.586	50	40	HHGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	6803942	LDAOYKNIBWMXTB-HXUWFJFHSA-N	405.523	3.749	50	40	HHGB	
COC(=O)COc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1	409372594	NBEQEIMFCXQJKH-GDNBJRDFSA-N	419.218	3.907	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408607058	BOGKRPRKZQULDG-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1	16758934	GPLRRCMRMRRPPO-URTGMZOISA-N	418.305	3.905	50	40	HHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	1311404	SBNDMDZYCGAFQT-NQIIRXRSSA-N	405.498	3.677	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br	6562968	YXXGQAZJUZJVGV-CIAFOILYSA-N	416.275	3.736	50	40	HHGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2c1	8336640	DICCDZZBHKPQBR-SSDVNMTOSA-N	410.499	3.506	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(C)=O	408755650	RQDDFLCXCZAYHX-RIYZIHGNSA-N	415.243	3.929	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OC(C)=O	408766413	QDEURNAVOXNIOW-WYMPLXKRSA-N	408.376	3.722	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1	408970909	ALXZYAYNOFKSPC-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)Nc1ccc(F)cc1	58883064	LRAGQXKFNHMZNC-MXAYSNPKSA-N	409.392	3.746	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1	59433868	KNGBLSOKPNMTTJ-BUVRLJJBSA-N	419.437	3.585	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)ccc1O	58871632	MOEWYHWZULLXJC-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)c1	409247262	CWXVXXNKCXUZBC-DICXZTSXSA-N	421.460	3.638	50	40	HHGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)CC#N)c1Cl	408812645	NOEZXGXVJBLRRK-ZVBGSRNCSA-N	409.229	3.870	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2=O)cc1	409155556	JCTKJDIVWMYEBZ-YTRQYYDFSA-N	420.296	3.895	50	40	HHGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1OC	409383298	UAPLESBPXPNHKR-NVNXTCNLSA-N	418.291	3.952	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccccc2OC)c(OC)c1	941523	WWEMNJPKVQMNLG-OAQJZOFXSA-N	407.422	3.793	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(N3CCOCC3)s2)c1	6203890	YJKXXBYMCKVPAK-LPYMAVHISA-N	401.532	3.546	50	40	HHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	678653	SURXRBLXCSTMRF-WQRHYEAKSA-N	404.422	3.734	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)COc2ccccc2-c2ccccc2)c(OC)c1	3267031	QMWXPMXYEAQSKK-MFKUBSTISA-N	420.465	3.909	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(F)cc1	30803126	YVYYUVDPHWQJKQ-ZMFRSBBQSA-N	421.428	3.911	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1	409205847	GHBUOOUSZBIZEH-WGLQLPMYSA-N	414.465	3.638	50	40	HHGB	
O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2Br)on1	1616032062	QVQORBSKVKSDAI-UHFFFAOYSA-N	410.231	3.804	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1	871100	AMWAFYHNRAIXRZ-FSJBWODESA-N	407.495	3.881	50	40	HHGB	
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2cccc(Br)c2)n1	1081944	VTTGZEHSVBWULV-SRZZPIQSSA-N	401.239	3.597	50	40	HHGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccn3C)s2)cc1	2199369	ORYXLUIYLINARY-VXLYETTFSA-N	417.585	3.720	50	40	HHGB	
Cc1ccccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	7881486	PDLWIMNNOWRZNL-QFBILLFUSA-N	417.864	3.911	50	40	HHGB	
COc1cc(/C=N\NC(=O)CNc2c(C)cccc2C)ccc1OC(=O)c1ccco1	30738339	SYFDTAHWEZBWAX-MXAYSNPKSA-N	421.453	3.686	50	40	HHGB	
O=C(N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc2ccccc2o1	408820772	YLFXGKKEHAJNON-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
O=C(CCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	9062494	IECFHZUCVMRVGE-UHFFFAOYSA-N	417.834	3.543	50	40	HHGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)[C@@H](C(=O)O)C1	5044979	KEWQRFGHPIAGLB-STQMWFEESA-N	406.891	3.763	50	40	HHGB	
COc1cc(C(=O)N/N=C(\C)c2ccc(Br)s2)cc(OC)c1OC	13953618	OGBUUAJTTNZCLA-GIJQJNRQSA-N	413.293	3.690	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1OC	9289525	JJRFTTVWKNXBRE-YDZHTSKRSA-N	423.425	3.873	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	408728470	MYNOEUSACQNGGN-SSDVNMTOSA-N	407.382	3.585	50	40	HHGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br	408814914	SPNNURMLMUGHMB-MHWRWJLKSA-N	415.287	3.732	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1	408969407	NGSUNSMEYNJORC-MMDHUZEPSA-N	406.461	3.561	50	40	HHGB	
COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)c1	4713823	UIRXPNVOZUDBHX-CIAFOILYSA-N	404.264	3.592	50	40	HHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	6455132	BMPMPEFTNXLRBO-VBQJREDUSA-N	401.507	3.687	50	40	HHGB	
COc1ccc(OC)c([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)c1	12276196	DDPVNYXVKAMKQW-HXOBKFHXSA-N	422.506	3.655	50	40	HHGB	
CCCC1(CCC)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O	13042108	JSOCWIKFGKELGY-UHFFFAOYSA-N	408.502	3.747	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1Cl	59444428	LLBRGJRFFBOOKT-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408706558	BMBQBEQQUISANO-LNOXHEFASA-N	417.307	3.558	50	40	HHGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	408992743	BKZRPAINABIFMZ-AFUMVMLFSA-N	419.481	3.603	50	40	HHGB	
O=C(CNc1cccc(Br)c1)N/N=C/c1cccc(Br)c1	1434313	LSXINADVPAXELL-DJKKODMXSA-N	411.097	3.774	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1ccccc1F)C(C#N)=C(N)O2	2214956	PWGDDGZMWSONLR-OAQYLSRUSA-N	417.440	3.571	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1	28215679	OBNSDQNJZHNOAS-AFUMVMLFSA-N	421.428	3.616	50	40	HHGB	
CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21	100175853	WMGMIZFXKZGTPB-FXBPSFAMSA-N	400.276	3.730	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	103798165	KURBORKWOOLPAH-UTEOWIRRSA-N	410.562	3.955	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1	109015970	BAHRZQPEVWMJRR-YDZHTSKRSA-N	422.441	3.783	50	40	HHGB	
O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408526633	CSRPIDXLOKTKJD-OEAKJJBVSA-N	405.410	3.703	50	40	HHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	825655	ARCODFNXVLCDPN-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1OC	5455065	DGGTZORNNCVQHV-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
CCCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408707589	KUUXMGYCHLHFKW-ZMOGYAJESA-N	404.873	3.979	50	40	HHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cc3c(cc2Br)OCO3)C(C#N)=C(N)O1	1480474	QVVAQOBOUZISFJ-OAHLLOKOSA-N	402.248	3.809	50	40	HHGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1	4357440	MADSDDLTGPWZKM-SHZOLCBJSA-N	408.546	3.828	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	4502981	OPTWPQMBQHKFOV-XQNSMLJCSA-N	419.522	3.868	50	40	HHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c21	5444760	BMNLLFLAIBDHMR-QGZVFWFLSA-N	403.398	3.602	50	40	HHGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(O)ccc2ccccc12	5577366	OVXCEHQVPXMOAO-YTXSNNBASA-N	419.525	3.717	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)c1	23215093	LNHRDGUCXKWOMK-WUXMJOGZSA-N	403.232	3.718	50	40	HHGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2cccnc2)cc1OCC	38397541	GHZYVHUTERBYOG-NHDPSOOVSA-N	406.280	3.796	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1OC	58980243	IBWGVYCHTAAHMW-AFUMVMLFSA-N	421.428	3.859	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1	59249236	NBQVBHTYYOJSHS-UVTDQMKNSA-N	416.275	3.733	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1	102485984	DWYCNSXBVCYMSW-IBGZPJMESA-N	412.467	3.981	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)c(C)c1	408930652	AEKRGTWPSNHOCT-AFUMVMLFSA-N	419.481	3.962	50	40	HHGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3O)cccc2[N+](=O)[O-])c1	409219660	OWAYYTXNIXWTIS-QRVIBDJDSA-N	419.393	3.592	50	40	HHGB	
Cc1ccc(C)c(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1	1433982	JWIPSPAGXICNII-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	5272356	JBITZSHIOCVHAW-VXPUYCOJSA-N	418.884	3.824	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC	6373155	OGFRLXFXWJNVCY-DHDCSXOGSA-N	415.833	3.531	50	40	HHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)ccc1O	12275278	APRSMWRSWICDEM-HXOBKFHXSA-N	422.506	3.743	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)c(C#N)c1C	14134524	ICKNITRLXSCZSG-OPEKNORGSA-N	418.453	3.597	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	19880040	GKGXPMNWWLXJFZ-HXUWFJFHSA-N	423.494	3.911	50	40	HHGB	
COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1	19911196	FHJARLMXPKCCEJ-SJQUQUAPSA-N	415.493	3.795	50	40	HHGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1O	108132958	TZSXLWYSGMMCCB-XGICHPGQSA-N	422.178	3.978	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cc(Br)ccc2O)cc1OC	408592359	XWMMWHNASUZWGF-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccncc1	408737748	OIQZURXBBKEDGD-PKNRUHJYSA-N	414.509	3.505	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)cc1OCC	1070331	GXANOVUNSNZRJW-IBGZPJMESA-N	404.422	3.809	50	40	HHGB	
CC1(C)CC(=O)C([C@@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl)=C(O)C1	3011981	HGTJHKNEOFSSLW-GFCCVEGCSA-N	418.210	3.537	50	40	HHGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3083481	QNFXRHIJHDLKGN-LSFURLLWSA-N	406.225	3.727	50	40	HHGB	
COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)c(OC)c1	4185862	AIRKOCWUHPLTJO-ZMYBRWDISA-N	410.308	3.801	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C	8812258	KAEDQXIISHJELV-FSJBWODESA-N	410.405	3.914	50	40	HHGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N32)cc1OC	12276117	BIASQGKGQRKGEX-UZUQRXQVSA-N	422.506	3.655	50	40	HHGB	
Cc1ccc(OCc2ccc(C(=O)NNC(=O)COc3cc(C)ccc3C)o2)cc1	13010206	WYGXOPPMIGFYMD-UHFFFAOYSA-N	408.454	3.624	50	40	HHGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1	13921786	IINXNPZGXNJZTP-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	33936162	YZNVIFHBOJGBEE-GGAORHGYSA-N	409.493	3.594	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc3ccc([N+](=O)[O-])cc3nc2Cl)cc1OC	408728504	NQJLUIHVMURHRK-UFFVCSGVSA-N	414.805	3.578	50	40	HHGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)cc1	408888471	VSUXHQKJORKZFN-ZVHZXABRSA-N	419.462	3.511	50	40	HHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1	408997169	LLLKMOHFUFKKKU-MFKUBSTISA-N	414.465	3.970	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)NCc1nnc2n1C[C@H](C(F)(F)F)CC2	575617333	SMJGSLGGBZYFOB-NEPJUHHUSA-N	408.515	3.733	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)nn(-c2ccc(C)cc2)c1Cl	808874	LYQZYWBLYMFILN-GOSISDBHSA-N	412.877	3.787	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(C)=O	880852	UMCBIFXYZBSUNN-MFKUBSTISA-N	418.449	3.817	50	40	HHGB	
CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccc1	1392023	UVNMKXZRYIUUJS-UHFFFAOYSA-N	410.446	3.721	50	40	HHGB	
CCCCCOc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC	4473950	VIJRJTUMTMJEBY-HYARGMPZSA-N	415.446	3.702	50	40	HHGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)Cc1cccs1	4700634	KJQKIAHOUFDXTI-UHFFFAOYSA-N	407.495	3.583	50	40	HHGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccs2)c1	17093048	WTHNTYYUVXZOEL-OEAKJJBVSA-N	422.466	3.992	50	40	HHGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1	36040298	RIYJHUOZUBTFBP-MOPGFXCFSA-N	422.330	3.583	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2C)c1	409257225	PEGVKRCBPLLYJX-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC)c(OC)c3)c21	1026832	LNLLLODLEUZLNG-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
N#C[C@H](/C(=N\NC(=O)c1ccccc1O)C(=O)[C@@H](C#N)c1ccccc1)c1ccccc1	8653127	RHYLKAKIUJIVPI-FLUWZFHISA-N	422.444	3.662	50	40	HHGB	
COc1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(Br)cc2F)cc1	102673301	BQDWZYMYIJCHQJ-UVTDQMKNSA-N	411.252	3.848	50	40	HHGB	
N#C[C@H](C(=O)/C(=N\NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1)c1ccccc1	104285886	RHYLKAKIUJIVPI-XPWSMASLSA-N	422.444	3.662	50	40	HHGB	
CC1=NN(C2=N[C@@H]3CC[C@H](Br)[C@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	105339425	VVEWGYNQQNSCFR-LJZVYSBVSA-N	406.309	3.754	50	40	HHGB	
Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2cc(C)oc2C)cc1	2630043	MJKGJQFEGNXFNK-UHFFFAOYSA-N	401.513	3.926	50	40	HHGB	
O=C(COC(=O)c1c2ccccc2cc2ccccc12)NNC(=O)c1cccs1	2634830	UVZBDUDXFMETHY-UHFFFAOYSA-N	404.447	3.673	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1	10475904	FVMVYFCZDSGYNH-OEAKJJBVSA-N	423.425	3.858	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc2c(c1)OCO2	20029481	NELGWBDLQWNGRE-KRWDZBQOSA-N	405.479	3.630	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccccc1Cl	58911590	GFMZJJSDHIYCJD-YDZHTSKRSA-N	400.910	3.647	50	40	HHGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	59153464	YJEWQRYUBHZVLC-YDZHTSKRSA-N	419.393	3.636	50	40	HHGB	
COc1cc(OC)c(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1Br	216046431	BQEJZKUWWABJKL-NHDPSOOVSA-N	405.292	3.776	50	40	HHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	409013163	LSVGDKZLZPKULC-AFUMVMLFSA-N	405.429	3.916	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc(Br)c1O	2746519	KUNJJBLBWDCYFE-UFWORHAWSA-N	413.655	3.676	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	3617251	CUPPENCVKJJUIF-ZHRRBRCNSA-N	402.450	3.912	50	40	HHGB	
CCCCCC[C@@H](C)NC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1	4715098	JVFZGMCZSVVDKZ-CQSZACIVSA-N	420.941	3.838	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3C)c3ccccc32)cc1	4724664	WCIZMQSUMHEKPZ-SOYKGTTHSA-N	413.477	3.750	50	40	HHGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1	6477638	KHDHSGOPYYVFDW-INIZCTEOSA-N	407.495	3.714	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1	6627509	SNYRMVWCFJHCJA-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2ccccc21	6778853	YBOSGEVQGHNYMH-RWEWTDSWSA-N	401.466	3.886	50	40	HHGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1	9590796	MCTUSAOKJRXFPH-HKUYNNGSSA-N	417.864	3.598	50	40	HHGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2cc([N+](=O)[O-])ccc2oc1=O	13509839	YADZRQPCXGPPSS-FSJBWODESA-N	417.377	3.714	50	40	HHGB	
CCN1c2ccccc2C2=C([C@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O	20558411	RUTYAQNZYAQVAN-QGZVFWFLSA-N	413.886	3.686	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1	38165916	JKMZLCWBRKOETM-UFWORHAWSA-N	410.655	3.530	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3OC)c2C)cc1	107939098	PMOAJMFHCOBVBC-ZVHZXABRSA-N	407.470	3.884	50	40	HHGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1	409223834	ITYNQGKHWHLSQJ-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
O=C1c2ccccc2C(=O)N1C[C@@H]1CC[C@@H](Cl)C[C@H](CCBr)O1	952958941	SGNANNCODPJDBG-AGIUHOORSA-N	400.700	3.613	50	40	HHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	831119	HEBNUOIJBPJNTR-AHURVMIPSA-N	421.316	3.950	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	5634076	XDUBOHVWIPHJSA-LPYMAVHISA-N	400.866	3.611	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@H]1c1cc(Br)ccc1F	8442066	WPJAIQVCCFQKQO-CJNGLKHVSA-N	415.291	3.745	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)cc1	14092861	SRIFIMXPOTWPMP-CYVLTUHYSA-N	414.465	3.626	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\C(Br)=C\c2ccccc2)n1	31841321	NFRCQNYRNOGZQF-JHMILNJQSA-N	405.321	3.724	50	40	HHGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1	226344751	CGUSTKCHBDDNTO-UHFFFAOYSA-N	400.063	3.903	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)cc1Cl	408963428	BWOVVVSZMCKRSP-FSJBWODESA-N	400.910	3.565	50	40	HHGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1OC	985612	JOCRHAHRWPJMCG-LJQANCHMSA-N	418.453	3.629	50	40	HHGB	
Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	1439236	RMEXPIKDFVTXQO-ZMOGYAJESA-N	401.422	3.740	50	40	HHGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1	4677863	ATJZWJCETJUMKB-HYARGMPZSA-N	407.430	3.928	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccccn1	108072350	LAAHANAKWFDENS-WUXMJOGZSA-N	404.289	3.625	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1	409006104	LZDWSHLRCCQJAU-KOEQRZSOSA-N	405.498	3.562	50	40	HHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1ccc([N+](=O)[O-])cc1	409046166	JFPFIYFKERWWFD-NTUHNPAUSA-N	403.188	3.885	50	40	HHGB	
C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409125430	FKPOHSIQDFVQRS-GOSISDBHSA-N	414.303	3.744	50	40	HHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409351046	XEEJOJRHOOOIKC-UFWORHAWSA-N	411.643	3.573	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC	711091	KMFDTYMVUGNXIQ-PCLIKHOPSA-N	404.466	3.995	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2736267	QSJSOBGKQNPUQO-UFWORHAWSA-N	424.269	3.972	50	40	HHGB	
CSc1ncccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	3322329	VHRLCRSXVNQTAX-UHFFFAOYSA-N	414.314	3.731	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2cc(C)ccc2C)c(O)c1	4090185	OOCIKLWPTLVQEE-BUVRLJJBSA-N	410.518	3.724	50	40	HHGB	
COc1cc2c(cc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1)oc1ccccc12	4690165	TYMNSOOSJLAIAM-WYMPLXKRSA-N	405.385	3.823	50	40	HHGB	
N#C/C(C(=O)NC1CCCCC1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	5323534	FTCHEQFGCYYQOX-MRCUWXFGSA-N	416.456	3.699	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	6205301	PZHNIKHAQJSTQU-HKWRFOASSA-N	400.482	3.907	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	7930337	QSNNMPYFSALITK-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CCOc1ccccc1OCC(=O)NNC(=O)CCc1ccc(Cl)cc1Cl	12848343	GQTVHRZPIFRQRZ-UHFFFAOYSA-N	411.285	3.551	50	40	HHGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1	20348371	QUBJEKQPZVIAGM-GOSISDBHSA-N	421.522	3.919	50	40	HHGB	
O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	57315309	ISIBZWQWFHWSKI-OVVQPSECSA-N	416.500	3.912	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1O	57666350	GGFSJUVTOQKPSC-KEBDBYFISA-N	411.683	3.900	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	104653417	LKSCPGAUGROIOH-JXAWBTAJSA-N	420.856	3.675	50	40	HHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1	409017056	UZHKEMYHAYIZIE-AFUMVMLFSA-N	405.429	3.916	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1	790511	NNTYDXXYIYVTJO-AFUMVMLFSA-N	419.412	3.629	50	40	HHGB	
COc1cc(C)c2c(c1)CCC/C2=N\NC(=O)CSCC(=O)Nc1ccccc1	4535040	YKALFDRCHCTBQE-LYBHJNIJSA-N	411.527	3.532	50	40	HHGB	
Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NCCC(C)C)c2ccccc21	5267127	KEWHVUBSUQSPRW-MRCUWXFGSA-N	400.482	3.582	50	40	HHGB	
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NNC(=O)c1cc2c(s1)CCCCC2	14484021	KAWNUCNZPHVYOS-JLHYYAGUSA-N	423.538	3.618	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1Cl	58911747	XADGMDSBNLKBJD-AFUMVMLFSA-N	408.889	3.514	50	40	HHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1ccc(C)cc1	100853716	PUBYFPOPTOMPNB-FQEVSTJZSA-N	412.511	3.717	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC	408968002	YLJOTSVHRTXIBC-LPYMAVHISA-N	407.382	3.516	50	40	HHGB	
CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21	409197748	NXLSKECBDUXFCD-SFQUDFHCSA-N	420.538	3.795	50	40	HHGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NC[C@@H]1CCCO1	876155	RIEDNYOYMHLQGN-PZDOZLBDSA-N	410.477	3.763	50	40	HHGB	
C=CCn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(F)cc1	2747598	FDVVMWPDYRIZED-FSJBWODESA-N	413.453	3.652	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1O	3139134	XVYCTZODZGGAJR-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)c(OC)c1	6418869	HKOLLTHUHLIXQH-BRJLIKDPSA-N	420.469	3.957	50	40	HHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C(F)(F)F)cc1	8088068	CKISWDMJIWYEPG-UHFFFAOYSA-N	404.344	3.952	50	40	HHGB	
Cc1c(Br)cc(NCC(=O)N/N=C\c2ccco2)cc1Br	15133389	GNVJYNPTIMDGRL-WSVATBPTSA-N	415.085	3.675	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccs2)c1	20100886	YBLIPDNWGKPKNH-OEAKJJBVSA-N	424.478	3.895	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccccc1Cl	58912570	XXNGNNSXJZTTHZ-OEAKJJBVSA-N	400.910	3.600	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c1	59433322	NQAKWPMPOIOMNX-OEAKJJBVSA-N	421.409	3.724	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C	100752202	QDUQFNCLLSVNFQ-VMDGZTHMSA-N	408.292	3.571	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	100879235	JJRVIHWWZZMRLG-RNJOBUHISA-N	415.125	3.730	50	40	HHGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)Cc1cccc2ccccc12	100923074	WQSBGSHIMFTACR-BUVRLJJBSA-N	404.426	3.811	50	40	HHGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)N1CCOCC1	408601609	KSIBWPBDBVDVPN-VBKFSLOCSA-N	400.837	3.824	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(OCC)c2)cc1	408744661	MLOQYPMRGGJDCE-ATVHPVEESA-N	424.453	3.581	50	40	HHGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OC	409202563	RNBBFNURYLWNBR-WQRHYEAKSA-N	408.454	3.800	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)cc1	409386530	MEGYEKDBGLFPBG-CVKSISIWSA-N	424.545	3.643	50	40	HHGB	
Cc1[nH]nc2c1[C@@](c1cc(CO)cc(-c3ccccc3)c1)(C(C)C)C(C#N)=C(N)O2	1357109286	VVVOFJZXKJKHTD-XMMPIXPASA-N	400.482	3.906	50	40	HHGB	
COc1cccc(OCCCOc2ccccc2/C=N/NC(=O)c2ccncc2)c1	4588211	XPEWXZKYHONGDU-KOEQRZSOSA-N	405.454	3.702	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OCC	5006532	BMMARCAUSUNGQE-HHUISERXSA-N	414.502	3.629	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OC	5512401	WUZMIZNLFDPOFD-KEBDBYFISA-N	411.683	3.813	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1sc(N(C(C)=O)c2ccccc2C)nc1Cl	24829432	YSQWEHQPTCTXBF-GXDHUFHOSA-N	400.891	3.999	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	34876071	VUAPCSBHCXBBLY-UWVAXJGDSA-N	414.387	3.884	50	40	HHGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1cccc2ccccc12	100862590	MTFFANFDOJPCHX-JVWAILMASA-N	416.481	3.862	50	40	HHGB	
C=CCn1c(C)c(/C=N/NC(=O)CNC(=O)OCc2ccccc2)c2ccccc21	408823613	OAGHAFVNYCBZNU-AFUMVMLFSA-N	404.470	3.512	50	40	HHGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cncc(Br)c1	1234833	LPADZIGBQWDSQS-UFFVCSGVSA-N	418.682	3.756	50	40	HHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1	1434954	XJPPLVLEIPYBMM-HZHRSRAPSA-N	412.409	3.606	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	3264786	NYHFFXRXBPAXBM-QGOAFFKASA-N	412.449	3.955	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1Cn1nc(C)cc1C	5171993	YDNDSVKUPSNSQQ-BRJLIKDPSA-N	401.470	3.802	50	40	HHGB	
Cc1ccc(C)c(NC(=S)NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c1	20916951	NTGMPLPZPYNAOH-UHFFFAOYSA-N	418.737	3.872	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	101114865	UEFFAEYXTNEDSX-OQLLNIDSSA-N	417.248	3.838	50	40	HHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c1	408613237	YIYQOXRNKWYMDR-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC#N)c(OCC)c3)cc2c1	409187798	UKRSORAZWRCPBB-OYKKKHCWSA-N	407.426	3.896	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1	409315678	ODXOBTXALBATGS-RVKKMQEKSA-N	413.543	3.557	50	40	HHGB	
Cc1ccsc1[C@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	989233	MNCYGFULLNDXMG-NHCUHLMSSA-N	411.534	3.982	50	40	HHGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I	1453587	RFDUIMYANNYJGK-FMIVXFBMSA-N	419.178	3.745	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O	2425060	BJJDUPXWJYIDIF-SDNWHVSQSA-N	409.829	3.919	50	40	HHGB	
COc1cc(/C=C/C(=O)NNC(=O)c2cc3c(s2)CCCC3)ccc1OC(F)F	3425888	MDXKNTFEYFJTJN-VQHVLOKHSA-N	422.453	3.711	50	40	HHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1	7036934	PVCSWSPKOSSZSM-MRVPVSSYSA-N	411.207	3.951	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C	15227680	LUXQUXNOQWDXCQ-LDADJPATSA-N	406.442	3.594	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1C	16728791	BOLDMIDNWRSVOA-NBVRZTHBSA-N	416.481	3.526	50	40	HHGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1	408876678	PTSZYRHDPXIZHD-NTUHNPAUSA-N	404.207	3.845	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1cccc(C)c1	409079688	KYTGUMJAELNESI-CVKSISIWSA-N	413.433	3.858	50	40	HHGB	
CC(C)Oc1ccc(CC(=O)NNC(=S)Nc2ccc(Br)cc2)cc1	8686371	UQYNSLXPLVMBQV-UHFFFAOYSA-N	422.348	3.797	50	40	HHGB	aggregator
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1	408603700	GUQYDTFQYWUQLX-IBGZPJMESA-N	417.494	3.719	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc([N+](=O)[O-])c1	409177842	HZTMBVUUOYOHPW-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
CCOc1cccc(/C=N/NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1O	5673783	LXOFMPYMZTUJMN-OEAKJJBVSA-N	416.474	3.751	50	40	HHGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccccc1Cl	31783490	DSXDNEWEPCKQPP-MYKKPKGFSA-N	422.897	3.929	50	40	HHGB	
CC1=NN(C2=N[C@H]3CC[C@H](Br)[C@@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	101052883	VVEWGYNQQNSCFR-MKUIRIHASA-N	406.309	3.754	50	40	HHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2cccc3ccccc23)c(OC)c1	101524681	KPVNQNLWUNHGRS-WGOQTCKBSA-N	419.481	3.920	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)c1	408746647	UVYWQCPQLOVXDZ-SDQBBNPISA-N	402.204	3.917	50	40	HHGB	
COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1	408843347	SXYMVTDFFQPNAS-PUFAJPFRSA-N	406.891	3.523	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccs3)cc2)cc1	409110671	XQSSVOOFYSQLHT-KGENOOAVSA-N	413.524	3.646	50	40	HHGB	
CC(C)CCn1nc(C(=O)NNc2c(F)c(F)cc(F)c2F)c2ccccc2c1=O	2632628	MTMJWOLPMMNMEP-UHFFFAOYSA-N	422.382	3.756	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1	9960101	VZQVRPWQJSYLFJ-ZTFCMROMSA-N	420.252	3.874	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2C)cc1	20059965	PVIOIGTZLGZSHF-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
Cc1ccc2nc(N(C(C)C)C(C)C)c(/C=N/NC(=O)Nc3ccccc3)c(=O)n2c1	26771307	VPWDVAGFYZJFRY-ZMOGYAJESA-N	420.517	3.782	50	40	HHGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(F)cc1	59505977	NTABEQHCGPQBRX-CIAFOILYSA-N	406.255	3.847	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1	8336695	YDIKKKCAWDRVBG-KEBDBYFISA-N	411.443	3.504	50	40	HHGB	
CC/C(=N\NC(=O)c1ccc(C)c(C)c1)c1ccc(OCCN2CCOCC2)cc1	20551554	DIQWEHNFUQCFGU-WJTDDFOZSA-N	409.530	3.559	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1	40145247	SSYFSLRFEBHMJQ-UHFFFAOYSA-N	414.263	3.800	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1cccc(Br)c1	58917290	WARMEUUDOYEJCS-LPYMAVHISA-N	417.351	3.793	50	40	HHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl	59249463	ADVXJASDNSOXGJ-IFRROFPPSA-N	401.633	3.874	50	40	HHGB	
C[C@H](Oc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1)C(=O)O	408847087	MJSWMQNJUHRBHC-HAWKZNDISA-N	418.449	3.735	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3cccs3)c3ccccc32)o1	409394184	WVYBZAXWYKEQER-JJFYIABZSA-N	407.451	3.895	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)ccc1O	704554	SEVZKVFECIZMRA-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1	4125688	XOYKLUWVKMTGCQ-LJQANCHMSA-N	416.437	3.812	50	40	HHGB	
CC(C)c1noc2ncc(C(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)cc12	11236836	MTVHHWSEGHGVKE-AWEZNQCLSA-N	418.453	3.728	50	40	HHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)cc1	17027319	NTPHVKJAWDKJRL-KRWDZBQOSA-N	408.527	3.876	50	40	HHGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	408811614	MRYPUBQUZXQUGK-JAIQZWGSSA-N	421.295	3.651	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1sc2c(c1C#N)CCCC2	408842137	MMTMJNHJVFUKLK-PDGQHHTCSA-N	420.538	3.672	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OC	408874741	GCNHHSFDRSWRKB-UFFVCSGVSA-N	422.890	3.877	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1	409004232	BKWBGXKUVKINBC-AFUMVMLFSA-N	403.404	3.708	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1Br	1445230	VEIQMDJJACTLNN-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(N)=O)N(c3ccccc3)C2=O)cc1	2213920	DOYCITCUOKIDJS-PAYQVUOSSA-N	405.523	3.941	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OCC	5006533	BMMARCAUSUNGQE-QQQWJHAPSA-N	414.502	3.629	50	40	HHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	40129501	YGAQYFLPRVPYCC-CVEARBPZSA-N	423.444	3.589	50	40	HHGB	
Cc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)CCc2ccccc2)cc1Cl	4700649	ALCDYLMTUKZTFT-HNNXBMFYSA-N	415.921	3.783	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(OC)c1O	9425395	PSEIKHJIVCUFKM-DELQEKLWSA-N	423.494	3.896	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1	12275285	LEZIJSCNTUPHML-PGRDOPGGSA-N	410.470	3.868	50	40	HHGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccco1	19877183	YARCBHYWWYHWMC-UNOMPAQXSA-N	402.406	3.780	50	40	HHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1ccc(Cl)cc1Cl	19882741	MMDPOFPRRZAOMA-NKFKGCMQSA-N	417.296	3.527	50	40	HHGB	
Cn1cccc1C(=O)NNC(=O)c1ccccc1CSc1nc2ccccc2o1	32744795	YERVHSDGDDVVTB-UHFFFAOYSA-N	406.467	3.533	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(C)c2C)cc1	409023651	AMYMLSSVGGCBJI-UHFFFAOYSA-N	413.543	3.853	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(F)cc1	3255638	ACADXAYNKDWPBD-AWNIVKPZSA-N	405.223	3.568	50	40	HHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1	4784659	LTMGNOKFPGHXPQ-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CN(C)S(=O)(=O)c1ccc(N/C=C(\C#N)c2nc3cc(Cl)ccc3o2)cc1	5248081	VWVFODDCLHLUNG-VAWYXSNFSA-N	402.863	3.708	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1	5634080	JNIAZMCZPAVDFU-YDZHTSKRSA-N	418.310	3.951	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(C)C)cc1O	8812781	QVDQYJYAQRSBIW-KEBDBYFISA-N	407.264	3.714	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c1	33636773	BYWIHMJTKYEWOX-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1cccc([N+](=O)[O-])c1	107871248	UDDRLKYPTOHLGX-MLPAPPSSSA-N	403.188	3.885	50	40	HHGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)cc1	409218307	HWPHWNNAXGUNAC-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccccc2)c1C	409378557	QDMVCRQSXLVVFC-ZMOGYAJESA-N	405.458	3.873	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc3cc(CC)ccc3[nH]c2=O)C(C#N)=C(N)O1	931595	AWWORJDXSUQTEH-LJQANCHMSA-N	407.470	3.515	50	40	HHGB	
CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(CCBr)cc1	4474144	FSTMPDOOXPQAME-AUQXIXNCSA-N	415.331	3.978	50	40	HHGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1C(=O)CCC2	4944758	SPGXRAJQLRMUMF-DEOSSOPVSA-N	414.440	3.545	50	40	HHGB	
CCCCCC(O)(CCCCC)C(=O)NN(C(=O)C(=O)OCC)c1ccccc1	4976969	JKVUDCUEKUROOM-UHFFFAOYSA-N	406.523	3.506	50	40	HHGB	
C=C1C(=O)O[C@@H]2C[C@@H](C)[C@H]3C[C@H](OCCCl)O[C@H](OCCCl)[C@]3(C)C[C@@H]12	5430573	NDKJHGDTMFXEHV-PUJHRFGYSA-N	407.334	3.720	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	5480627	FHNYOKACEWLANY-YBFXNURJSA-N	404.220	3.686	50	40	HHGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)COc1ccccc1-c1ccccc1	6829712	PARCPCFDSWKKNE-NTCAYCPXSA-N	417.421	3.501	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	7384069	PSGJWNPDSZPSAY-FYJGNVAPSA-N	402.292	3.822	50	40	HHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1	8969147	SANVSZKCKYQOJP-LFIBNONCSA-N	407.437	3.789	50	40	HHGB	
Cn1nc(C(F)(F)F)c(/C=N\NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl	33248778	UMTHCJNONVRCSY-UYOCIXKTSA-N	403.836	3.694	50	40	HHGB	
COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCBr)cc1	101053902	BRSSUPSDHBPOFY-GROYHEBESA-N	416.271	3.512	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C	408531118	NGHAKYPUVBVPBM-YDZHTSKRSA-N	422.441	3.540	50	40	HHGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408745476	SPPCBEQJDBSORV-RMHQSFGDSA-N	423.270	3.876	50	40	HHGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC	409217898	YGVWMIGPQFMXHS-GDNBJRDFSA-N	414.845	3.836	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)CCCC(=O)Nc1ccc(Br)cc1	409264999	MDUCFFSHFCHWMJ-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
CC(C)N1CC=C2[C@H](C1)[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)C2(C#N)C#N	1073886	APYTWXMHKZUJOM-QFBILLFUSA-N	411.431	3.839	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	1268524	BZOAOCYZWNOGIN-XQNSMLJCSA-N	407.495	3.584	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1	1339911	VQMYWGPNZNWQNI-UHFFFAOYSA-N	421.522	3.594	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1	1434610	PYFZDCCYOFXGAF-KEBDBYFISA-N	410.699	3.698	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(OC(=O)c2cccc([N+](=O)[O-])c2)c1	1472622	BRFKMCKFLGEMBM-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1cc(C)ccc1C	4599751	NNSAUCVQRMEJPQ-FSJBWODESA-N	405.882	3.816	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@@H]1c1cc(Br)ccc1F	8442070	WPJAIQVCCFQKQO-XJKSGUPXSA-N	415.291	3.745	50	40	HHGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	18199587	ROHNJHKVSJUYHJ-HXPMCKFVSA-N	402.406	3.570	50	40	HHGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	707507	GIQCNBWFUYNEGC-SKDRFNHKSA-N	406.653	3.600	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)CCCSc2nc3ccccc3s2)cc1	2642440	KOPXSEVUFOHDGC-UHFFFAOYSA-N	401.513	3.638	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1	5558502	BEUYRKRWQZBHHE-ZVHZXABRSA-N	415.921	3.720	50	40	HHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	6357319	PCDNQBJFUHTVRS-LLHXDHKOSA-N	423.513	3.912	50	40	HHGB	
Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	12808687	GYIPVUBUQOXQIB-UHFFFAOYSA-N	421.482	3.535	50	40	HHGB	
CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1	16637443	DSPUPPYUCKYCCD-FCDQGJHFSA-N	415.559	3.602	50	40	HHGB	
CSc1nc2nc(C)c(CC(=O)NN(c3ccccc3)c3ccccc3)c(C)n2n1	18077929	ZYILJQPVTOKQJW-UHFFFAOYSA-N	418.526	3.875	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Cl)cc1	48573650	FLSSSKQGIRZLMH-CIAFOILYSA-N	405.679	3.807	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	408837692	LJEZQMCDTAQAQM-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(C)cc1	1246949	AKOTWBQNIDDLOZ-ZMOGYAJESA-N	418.526	3.997	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(N2CCCC2)cc1	36843687	NGVKRRQEQNRMNX-FYJGNVAPSA-N	402.292	3.578	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cn1	40039930	YCEWQKIUXMRBRM-UHFFFAOYSA-N	417.494	3.633	50	40	HHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	59515263	AJJNYDHRXYASOQ-BUVRLJJBSA-N	400.438	3.661	50	40	HHGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1	409366308	ZUALTCOEEORLBW-MTJSOVHGSA-N	405.292	3.722	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C3=C2CCCC3=O)cc1	814505	XNLRSCLVPDZTHI-JOCHJYFZSA-N	417.465	3.714	50	40	HHGB	
COC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	853941	OKACDNYQDYFWSN-CIAFOILYSA-N	406.891	3.524	50	40	HHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1	3247741	NIPVOPWZKWPNAH-CVKSISIWSA-N	412.449	3.713	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2nc1Cl	4168447	RLYPELFLNOCWAP-GOSISDBHSA-N	411.845	3.708	50	40	HHGB	
Cc1ccccc1N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccc(F)cc32)C2=C1CCCC2=O	4623663	QFKHPAXOZDKQFK-XMMPIXPASA-N	414.440	3.545	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1	5162270	WTRYRKFYUQTDPR-LJQANCHMSA-N	415.453	3.652	50	40	HHGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C#N)C(=O)N1	5707657	GWJALLZLTMQVDE-GUYCJALGSA-N	403.891	3.505	50	40	HHGB	
O=C(Nc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccco1	32688621	HXHASVAFDMKGNT-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc(C(F)(F)F)c1	59459557	WBXPCUVFGPWCAH-PGGKNCGUSA-N	403.282	3.813	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	100814714	TVNMKWOJSULHBJ-VHKYSDTDSA-N	422.319	3.961	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cn(CC#N)c2ccccc12	107669622	OHSVFNKPKSFGDT-SSDVNMTOSA-N	411.259	3.700	50	40	HHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1	2342882	ZZQWZOUXPHKVTC-QFIPXVFZSA-N	413.477	3.740	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC	4544463	WVGDYKBNIGRZQK-NNIWKIFQSA-N	422.481	3.812	50	40	HHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCC1	19926261	RMTGFDIPWRMKFY-UHFFFAOYSA-N	405.907	3.582	50	40	HHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248240	OZNFIJGHSHQRTG-LLVKDONJSA-N	418.316	3.543	50	40	HHGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1Cl	58823366	YRBYQLLXLAKYGL-DNTJNYDQSA-N	412.671	3.692	50	40	HHGB	
Cc1c(-c2ccc(C(=O)n3c(C)c(C(=O)NN)c4ccccc43)o2)cccc1[N+](=O)[O-]	226768316	OKJBWKBGHHAJFE-UHFFFAOYSA-N	418.409	3.718	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)O	408794317	ITRWMOYBOFOWRD-NTEUORMPSA-N	400.818	3.748	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(C(N)=O)cc1	409243293	ROMINYMAQWZOOJ-CPEHUTGBSA-N	412.493	3.977	50	40	HHGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1	2328538	XGGAGVLKFDEEJL-LJQANCHMSA-N	405.479	3.738	50	40	HHGB	
C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1ccc(N2CCOCC2)cc1	5587184	ZEQPSTDFYOSNBO-LFVJCYFKSA-N	404.470	3.641	50	40	HHGB	
O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N/N=C/c1ccccc1O	5903063	PKBZTXXYOCXDDW-ZVHZXABRSA-N	418.522	3.970	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1	6355273	HTOAUWGVVSQRHU-GOSISDBHSA-N	415.559	3.803	50	40	HHGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(N(C)C)cc1	33575481	QPUOXQNAUCZZSO-IWIPYMOSSA-N	419.485	3.761	50	40	HHGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1	408610285	NFAYSWANYACPSG-AEIQVQRHSA-N	419.456	3.732	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1F	989274	UZJZCQKOHXHSOJ-HNNXBMFYSA-N	413.202	3.913	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3100993	DZDJPDGUHILYAJ-PCLIKHOPSA-N	417.465	3.753	50	40	HHGB	
Cc1cccn2c(=O)c(C=C(C#N)C#N)c(Oc3ccc(Br)cc3)nc12	5557442	UPSQIMWWCGKKKG-UHFFFAOYSA-N	407.227	3.988	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O	23411089	BXTDOPRKFJAYIL-WSDLNYQXSA-N	415.446	3.526	50	40	HHGB	
CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1OC	40139922	RKCKENIEKVDICF-OVCLIPMQSA-N	421.428	3.620	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1	408838887	JTIPWKCTOHNDSE-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1	408862163	FWKRKJQIOGTLHH-YZSQISJMSA-N	417.465	3.867	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	8117058	YWGLCLKMDJEYLS-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1	13567717	VVVLWZFFARHSJP-AREMUKBSSA-N	424.504	3.684	50	40	HHGB	
COc1ccc(S(=O)(=O)[C@H](CNC(=O)C(C)(C)CCl)c2cccs2)cc1	17112973	QUKRFCCCKIGXAJ-MRXNPFEDSA-N	415.964	3.653	50	40	HHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(I)o1	35296011	BSCKSHKUKRSUFI-GRSHGNNSSA-N	420.206	3.567	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1cc(Cl)ccc1Cl	58903912	CFMMZJKHTFUBQO-AUEPDCJTSA-N	409.317	3.623	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	408792156	IUVLBSYWLLEYFL-NTCAYCPXSA-N	416.389	3.977	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)OC	408799479	ZMKSBMAFNCNOAH-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
COC(=O)[C@H]1C(=O)NC(SCCCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409131215	KFIZVGCBWQNHEM-WOJBJXKFSA-N	406.507	3.790	50	40	HHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1	4505849	IKLCZFAIGXVYFZ-FCMREFMGSA-N	416.433	3.784	50	40	HHGB	
CCCCCC[C@H](C)NC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1	4715105	JVFZGMCZSVVDKZ-AWEZNQCLSA-N	420.941	3.838	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	5205723	YNNGPDIYURGZDE-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)O	5601906	XIXXPSIWJOJMNX-VGOFMYFVSA-N	400.818	3.666	50	40	HHGB	
COc1cc(/C=C/C(=O)NNC(=O)CSc2ccc(C)cc2)ccc1OC(F)F	9588699	CTBMHKNPPHAOSV-UXBLZVDNSA-N	422.453	3.558	50	40	HHGB	
CC(C)(C)C(=O)N/N=C(\CNC(=O)c1ccc(Br)cc1)c1ccccc1	18191627	CPGJAMBNVVGKQE-HAVVHWLPSA-N	416.319	3.746	50	40	HHGB	
O=C(NCc1ccc(NC(=O)C2CC2)cc1)NNc1ccc(F)cc1Br	23174296	UOIBUUXZDGUGCX-UHFFFAOYSA-N	421.270	3.763	50	40	HHGB	
CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1	1339979	XXWZLPDTDGVWKZ-UHFFFAOYSA-N	409.511	3.668	50	40	HHGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccs2)c1)c1ccc2c(c1)OCCO2	2303440	HTOSHSNGHDDMAS-LPYMAVHISA-N	408.435	3.502	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccccc1	3162845	KHBJPDAWZSUXHN-AFUMVMLFSA-N	403.438	3.772	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c(C)o1	5272438	BSTMVYLJZNAHLA-UHFFFAOYSA-N	406.467	3.885	50	40	HHGB	
CCc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	8110787	WUYUFUNZTPMBAP-UHFFFAOYSA-N	404.488	3.740	50	40	HHGB	
O=C(CCCSCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1	8613714	CDWAGJPFFCBBKY-GJHDBBOXSA-N	410.543	3.581	50	40	HHGB	
Cc1ccc(N(C(=O)CCCl)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1	26895914	XQCUDLTYTOIRRS-QGZVFWFLSA-N	409.711	3.946	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCC#N	408745117	PMZGLUQDTIZSIG-UVTDQMKNSA-N	412.243	3.906	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(Cl)c(Cl)c1	408908195	VBCQKTUHHYDMRY-UHFFFAOYSA-N	406.335	3.586	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2)c1	409219452	MSHRTKVLZHZXRZ-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2sccc2C)nnc1-c1ccc(OC)cc1	864024	SKCZUGYZQMRWAE-RGVLZGJSSA-N	415.544	3.586	50	40	HHGB	
O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	1055376	VWXWLVZHYIJNSG-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
COc1cccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	1516646	WIBLQBGRKGHVGG-ZEQRLZLVSA-N	421.504	3.621	50	40	HHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1F	6335968	IYCDNKXYPWDLDA-WYMPLXKRSA-N	405.385	3.571	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1	9328571	CXDGDMRUCOTCAS-GOSISDBHSA-N	417.425	3.992	50	40	HHGB	
CCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(N(CC)CC)cc2)cc1OC	12557738	XZRJZLUJSZCHNC-UHFFFAOYSA-N	419.909	3.668	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1ccc(F)cc1	59101866	XWSHBSCYXSTWSH-DHRITJCHSA-N	409.392	3.633	50	40	HHGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc1)C2	59501510	GDGIWTJMWMNBIV-BRJLIKDPSA-N	401.466	3.999	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	408777432	YZWHLTFQMDOORG-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
C=CCc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(OC)c1OCC(=O)O	5670114	BUYGUIKBJAANII-AFUMVMLFSA-N	418.449	3.804	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1	5797315	ZMPMTVNIOXRMOH-COOPMVRXSA-N	412.493	3.517	50	40	HHGB	
COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	13303003	XTEWMCLOILYQHF-WSVATBPTSA-N	413.173	3.582	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1	20197487	XDPOCCJXQDOMCB-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20763951	CAFLWJMXYQILHC-OEAKJJBVSA-N	400.862	3.913	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	58884412	IUDDHAYFHZWKBO-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1Cl	408970783	KDUYRAYNZILYMN-NZYROCMPSA-N	415.921	3.708	50	40	HHGB	
O=C(NCCCl)Nc1ccc2c(c1)-c1cc(NC(=O)NCCCl)ccc1C2	3028941	GKAWDISJIYCRSP-UHFFFAOYSA-N	407.301	3.978	50	40	HHGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3117938	ORWLSIYMCAQNIA-VULFUBBASA-N	421.884	3.799	50	40	HHGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3ccccc32)C1	6263432	ZEZDYPHDOCBMOF-WKGZRZITSA-N	420.513	3.618	50	40	HHGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1	19948453	GKDAHZTZJGGQBZ-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	59473437	CJKYGKBHYRPGSY-PUFAJPFRSA-N	406.891	3.523	50	40	HHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCN(c3cc(Cl)ccc3C)CC2)cc1	100946557	VNOYUJMCZLVPHJ-HKWRFOASSA-N	415.946	3.918	50	40	HHGB	
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12	118917754	CLHOQFOFZHJBHD-LREOHUFHSA-N	424.965	3.677	50	40	HHGB	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408763811	QZTKRVMZEFALJL-ZROIWOOFSA-N	415.243	3.547	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)s3)o2)s1	2100106	HFFDIBUCHNLZJM-LQGKIZFRSA-N	400.485	3.547	50	40	HHGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)cc1	4125687	XOYKLUWVKMTGCQ-IBGZPJMESA-N	416.437	3.812	50	40	HHGB	
COC(=O)N/N=C/c1cc(Cl)c(OCCCOc2ccccc2OC)c(OC)c1	4599478	BCEXNIALDPPEJE-LPYMAVHISA-N	422.865	3.895	50	40	HHGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cc(O)ccc1O	5282455	YOUUYHIMNZICES-YBFXNURJSA-N	409.305	3.634	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)o1	8811010	PEGRRFKKHGSWLO-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl	9341149	KRHOVBPGBZRTSR-MLJKTZRHSA-N	406.269	3.677	50	40	HHGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC	13357017	LOBIHCUOIKTECH-RIYZIHGNSA-N	400.818	3.991	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(OC(F)(F)F)cc1	20086664	VYPAKIXFBYMTMZ-HNNXBMFYSA-N	412.323	3.726	50	40	HHGB	
COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1	408726224	AMYFBQVRGSADFF-ZMFRSBBQSA-N	417.440	3.896	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(O)c1	409391424	JGHJKETZFDKZOL-LSHDLFTRSA-N	414.801	3.776	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	4199133	HOZSSAHOGGHVBJ-BHGWPJFGSA-N	401.344	3.653	50	40	HHGB	
C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	4381044	ULRVVHKRMDSJFR-LPYMAVHISA-N	402.838	4.000	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1cccs1	4852476	KMJYLQQCXSOHLF-RCCKNPSSSA-N	413.524	3.727	50	40	HHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NC[C@@H]1CCCO1	6209752	TVBINMWLLVXBLG-BAILOTOSSA-N	404.495	3.803	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1C	9614445	BPKURWIJNLTWSC-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)cc1	30742999	LOWCBDFXNVNEQE-QRVIBDJDSA-N	408.458	3.645	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1	59960662	IZKNVEZYRMZWAN-YDZHTSKRSA-N	400.910	3.647	50	40	HHGB	
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12	118917753	CLHOQFOFZHJBHD-MPCGFUBLSA-N	424.965	3.677	50	40	HHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408612703	XDVGTZOWSQIIRY-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1	409203046	UJDGOKFJZYSLGC-CFRMEGHHSA-N	424.888	3.671	50	40	HHGB	
C=CCn1c(COc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1	1001412	SPOHEWMWOZGZAN-OEAKJJBVSA-N	421.526	3.594	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3c[nH]c4ccccc34)on2)cc(OC)c1OC	1882664	GGLWVMNSQUNGAB-BHGWPJFGSA-N	420.425	3.613	50	40	HHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccc(C)c4)c(=O)c32)c1	4393868	WCBVJURUGSIEFR-QFIPXVFZSA-N	413.477	3.740	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c(OC)c1	33559972	YSLUXCRTULKIPC-SSDVNMTOSA-N	413.361	3.775	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1	104879856	KXGLMVYTJQGNLC-JXAWBTAJSA-N	419.466	3.865	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408611722	RWOOQRXFDALMKW-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	408982454	XYKZTXUTBQQYSI-RSZPVBOMSA-N	418.291	3.777	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1OC(C)C	409017713	VRBUIQKGOPDIJE-RGVLZGJSSA-N	403.460	3.633	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1	409314371	FWGYAHFNEVCXTI-SFHVURJKSA-N	407.495	3.714	50	40	HHGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502635	GBBWRGKLTRMWPP-KRWDZBQOSA-N	417.259	3.780	50	40	HHGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@H]1COc2cc3ccccc3cc2O1	4724299	PRDOZQNNWMODRL-NYBSSMLZSA-N	416.433	3.914	50	40	HHGB	
N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1c[nH]nc1-c1ccccc1	5729084	ATTQIAWVJJQYHL-NRFANRHFSA-N	408.465	3.776	50	40	HHGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	6049193	AHLCTIGJOHWDRO-UHFFFAOYSA-N	410.436	3.838	50	40	HHGB	
C[C@@H](Br)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2	9584629	PGWIDLXNZKPVPM-SNVBAGLBSA-N	408.223	3.550	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1	32752182	HGWYYECKRMJZCX-CPNJWEJPSA-N	419.481	3.551	50	40	HHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccccc1Cl	226336188	PMEZCTDKTDSQAR-VOTSOKGWSA-N	411.683	3.693	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(O)c1	408691867	VALBTBVXVWRJLS-UFFVCSGVSA-N	406.280	3.504	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(OC)ccc2ccccc12	408912837	RQORQLGXWHYASE-HUXSYLCKSA-N	419.481	3.656	50	40	HHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccc2)CC1	409007394	WDYSCOLQAWHUDH-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
COc1ccc([C@H]2[C@H]3CN(Cc4ccccc4)C=CC3=C(C#N)[C@H](N)C2(C#N)C#N)cc1	4655628	LZZOVTTYAGCWSK-SDHOMARFSA-N	421.504	3.619	50	40	HHGB	
COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)c1	5417367	REEBXBWHCXOZJU-OEAKJJBVSA-N	403.866	3.557	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)c1	9015349	ZSFQEMYAPJLOKR-QGZVFWFLSA-N	411.458	3.545	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)c(C)c1	13955361	YPEQFYSUBZHHLW-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1Br	48333014	FLQBIIIXBKQFCU-SSZFMOIBSA-N	412.287	3.831	50	40	HHGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	58913967	GJXRMZKPFXXHHP-KSEXSDGBSA-N	407.301	3.543	50	40	HHGB	
COC(=O)/C(=C(\N)SC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104476314	LFSXLRKWWOBDOB-UHFFFAOYSA-O	408.483	3.644	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	408969587	QKSKPWKKHLKVEY-FSJBWODESA-N	412.829	3.879	50	40	HHGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409376320	XAXAZAGVPSTXFW-ZVHZXABRSA-N	404.426	3.736	50	40	HHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccs2)cc1	3114768	ANVDSVSLESTBAK-KKLLDSGKSA-N	418.522	3.735	50	40	HHGB	
COc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)N(C)c2ccccc23)cc1	5688295	YJJPZTKSWPYTDU-IBGZPJMESA-N	400.360	3.868	50	40	HHGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	6959818	FFSWEMBFPNWUOG-QGMBQPNBSA-N	412.081	3.990	50	40	HHGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12	408946699	AVZABGAHTJBOFM-RGEXLXHISA-N	424.460	3.923	50	40	HHGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccccc1	1054800	VERQBQYLZMKYJW-DJKKODMXSA-N	411.097	3.774	50	40	HHGB	
C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21)c1ccccc1	2343094	IUWMWRJELOUHIE-ANZZGNCFSA-N	420.472	3.989	50	40	HHGB	
CCN1c2ccccc2C2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558370	QBYSIQYWFVAGSS-QGZVFWFLSA-N	413.886	3.686	50	40	HHGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Oc4ccccc4)c3)[C@@H]2C1	35606782	WGCMIHJEWSIUSI-PKTZIBPZSA-N	407.477	3.834	50	40	HHGB	
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NNc1ccccc1C(F)(F)F	45480963	SMVHTZVNZLTHDW-MRXNPFEDSA-N	415.362	3.881	50	40	HHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	408995266	LODKWCSMUBCSCC-YQCVNYCESA-N	413.543	3.611	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCC(=O)O	409072207	JEIXJZSMLVVQEX-GZTJUZNOSA-N	422.437	3.528	50	40	HHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	1445326	PXEYBKDUNGWYFU-SSDVNMTOSA-N	415.446	3.573	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1OC	5456706	XYUHLDHSPHIETE-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1ccc(S(C)(=O)=O)cc1	7348700	RPKNMABIZYPEIM-LPYMAVHISA-N	413.524	3.676	50	40	HHGB	
Cc1ccc(NC(=S)NC(=O)c2ccccc2C[C@H](Br)C#N)cc1	11692724	SNWLXLUOHJLXBA-AWEZNQCLSA-N	402.317	3.951	50	40	HHGB	
COc1ccc(CN2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1	20348057	AFDRWXLGFDPXOF-HXUWFJFHSA-N	421.522	3.919	50	40	HHGB	
C=CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33533117	ICNSCMJIEBTNGA-NDENLUEZSA-N	418.247	3.615	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1	211711247	CLZOWFYLZGUEIF-WQLSENKSSA-N	402.204	3.912	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408707905	MMBKIRKAULBGFC-VULFUBBASA-N	424.863	3.989	50	40	HHGB	
Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1C	408853249	QJHAVJYHXXQTQH-JAIQZWGSSA-N	421.295	3.651	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1O[C@@H](C)C(=O)O	409011422	GNIHHVZBPXLGED-CJAAZZPWSA-N	400.818	3.746	50	40	HHGB	
C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccc(N)cc1	1074741	WDMOAKQYTVKMCV-AFUMVMLFSA-N	413.485	3.615	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	2440913	ITSQRZUUXZOEDY-KRWDZBQOSA-N	410.430	3.953	50	40	HHGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4721515	SUQRFOWTTHDEEJ-ROSLMWAESA-N	407.857	3.580	50	40	HHGB	
N#C/C(=C\c1ccccc1OC(F)F)c1nnc(N2CCOCC2)n1-c1ccccc1	9090860	CQGHPIHWOFAIHU-SAPNQHFASA-N	423.423	3.769	50	40	HHGB	
Cc1nc(COc2ccc(C(=O)NNC(=O)c3ccc4ccccc4n3)cc2)cs1	21767716	BJVYZYLNFXGJHH-UHFFFAOYSA-N	418.478	3.654	50	40	HHGB	
O=C(Cc1ccsc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	24348328	UZWVVSKOFUEBAI-UHFFFAOYSA-N	402.479	3.605	50	40	HHGB	
Cc1ccc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1	35312393	UYICWUQTAWXVDS-UHFFFAOYSA-N	410.886	3.622	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)cc1C	59248757	HNFQDMHCPWNYOL-SSDVNMTOSA-N	419.323	3.821	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)N1CCC(n2cnc3ncccc3c2=O)CC1	390831094	POEGYPBZDXZVFZ-INIZCTEOSA-N	418.588	3.669	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)cc1	923674	SQDDBTLDTZFRRR-UHFFFAOYSA-N	409.511	3.722	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2	2644872	UGJVFJLYBGLQNH-QGOAFFKASA-N	412.449	3.520	50	40	HHGB	
COc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)C=CC3=C(C#N)[C@H](N)C2(C#N)C#N)cc1	4655627	LZZOVTTYAGCWSK-GVAUOCQISA-N	421.504	3.619	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccco2)c(C(=O)OCC)c1C	6892045	OTQFEVWEDDLPPM-UKTHLTGXSA-N	401.440	3.722	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1	7893620	UBALZEMFOQIZOT-LPYMAVHISA-N	407.382	3.795	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	9328561	SYZIOCITZQJYFH-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(OC)c1OC	1474856	MMVZCCISLSLVBM-KEBDBYFISA-N	417.512	3.565	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	2072530	NFORNIMKOLFHPX-HXTHCWADSA-N	414.509	3.764	50	40	HHGB	
C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)ccc1O	2766073	IHLTUANOMRLQBG-VTGBELTLSA-N	414.259	3.621	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1	2792882	MBFNSYJHAOPIQW-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
O=C(N/N=C/c1ccc(I)o1)c1cc2ccccc2cc1O	4501981	RPIMQBWSRRYMNJ-GIJQJNRQSA-N	406.179	3.507	50	40	HHGB	
CCc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	8108262	KMUWPMUQRSGQFX-SJORKVTESA-N	406.482	3.784	50	40	HHGB	
CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(Cl)s3)cc2C1	12985498	KGBKRMZKWCZRIK-VIFPVBQESA-N	404.966	3.601	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1	13216109	FALQSMMCBWPGTO-ZVHZXABRSA-N	400.438	3.914	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2C)cc1	33932098	KKICEALXYPWPNY-UNOMPAQXSA-N	403.438	3.697	50	40	HHGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc([N+](=O)[O-])c1	100922307	KZYYXAGXIKAPAR-FOKLQQMPSA-N	408.336	3.748	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	408612043	UBTCAJLFHCIUAC-CIRUFVMISA-N	419.456	3.732	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)cc1	408893870	NXAXWAQSPWNTHT-QQXSKIMKSA-N	402.498	3.559	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1I	408905358	XSXQXWOYUXFPHW-VXLYETTFSA-N	412.202	3.593	50	40	HHGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])cc1	409224000	ICGGPPLUCLVRSZ-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2cccnc2)cc1	959082	MBHBCGDAKLZAAM-DHRITJCHSA-N	422.872	3.825	50	40	HHGB	
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2O1	2438199	VWXUCNCXBJPTKA-XBUHWIKASA-N	407.495	3.595	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccc(Br)cc2)cc1	3167629	OVSLVIQOANYICB-LANLRWRYSA-N	405.292	3.812	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC	4550891	OLWYVDBUZDHCBX-NTEUORMPSA-N	410.813	3.604	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1	5431589	LQVGRYGPUQKGCQ-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	6455007	ADZXJKRQVMQDNJ-CZUORRHYSA-N	403.935	3.813	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccccc1Cl	28214942	DGVGAXOQDNYFLI-ZMOGYAJESA-N	408.845	3.516	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	58912012	MPEAFLNDPBETLY-CVKSISIWSA-N	422.916	3.557	50	40	HHGB	
CC1=NN(C2=N[C@@H]3CC[C@H](Br)[C@H]3S2)C(=O)[C@@H]1/N=N/c1ccccc1	245380942	VVEWGYNQQNSCFR-CTHDJGBCSA-N	406.309	3.754	50	40	HHGB	
O=C(N/N=C/c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409006313	MZRHRLIYYAIIQD-FSJBWODESA-N	420.296	3.702	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	12285260	HICMDDDXYNRMEH-NHDPSOOVSA-N	424.369	3.601	50	40	HHGB	
O=C(NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	12502686	FZDXZSUUHQMOHG-UHFFFAOYSA-N	423.925	3.808	50	40	HHGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	37171579	FYJSPEXKJOVCMX-RWEWTDSWSA-N	422.492	3.859	50	40	HHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(F)cc2)[C@H]3CCC1	57058864	SDQDKRNWQVXWFP-RVWJGDDESA-N	404.489	3.932	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)COc1ccc2c(c1Br)CCCC2	59459330	WKQHVOQOUKVNOO-WSDLNYQXSA-N	417.303	3.866	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)O	408821017	BMHGLPRNYGNTGH-YVNNLAQVSA-N	416.817	3.712	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1O	409377636	JMJXABZJMWRPNE-AUWJEWJLSA-N	404.264	3.649	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccs1	1214988	KNASZCDWNLFCMV-ZMOGYAJESA-N	423.494	3.847	50	40	HHGB	
COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(Br)ccc32)cc1OC	1320719	UOMFFFACCXCTMH-UHFFFAOYSA-N	424.254	3.814	50	40	HHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1O	3083905	LETXDCHSTKZYNN-KEBDBYFISA-N	424.682	3.677	50	40	HHGB	
O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccncc1	15923220	KVTHRYYEAVTAKK-OYKKKHCWSA-N	412.409	3.606	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1	20086053	ZTBSBASMRUQVMB-INIZCTEOSA-N	408.255	3.519	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cccc2ccccc12	20214986	FCVSSKFHWFLGOE-UHFFFAOYSA-N	401.532	3.822	50	40	HHGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21	208207254	WTDNNCBKTAYDPX-KSJDGYIASA-N	410.474	3.846	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1	408588781	JQCRISNNZRSODY-AFUMVMLFSA-N	404.470	3.617	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408609588	KGNAYHIQBFVKJP-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
CCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2	987524	TXOPYZWLYBFHTA-HXUWFJFHSA-N	402.454	3.778	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccccc1F	3255605	IBFRRKBFQMQAEJ-VGOFMYFVSA-N	419.250	3.958	50	40	HHGB	
O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NN(c1ccccc1)c1ccccc1	8328342	BJWGONSLQGFCBL-UHFFFAOYSA-N	406.486	3.501	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cn1	30803041	MMTJRFNCCJEBCP-JJFYIABZSA-N	421.369	3.763	50	40	HHGB	
COc1cccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)c1	32116972	QAXPNUGAFXKKIA-WSDLNYQXSA-N	417.303	3.866	50	40	HHGB	
N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	32124945	AGZZMYOSJRUWSY-LCYFTJDESA-N	403.847	3.878	50	40	HHGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC(C)(C)N1	101303763	GAGYRXAMCCECTP-SMHULIPUSA-N	413.400	3.571	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1	409314368	FWGYAHFNEVCXTI-GOSISDBHSA-N	407.495	3.714	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)ccc1Cl	409370137	LUNADFZOFJVYOC-WYMPLXKRSA-N	411.845	3.949	50	40	HHGB	
CCCCSc1nc(C)cc(SCC(=O)N/N=C/c2cccc(OC)c2O)n1	3130353	DVBNOHVBHNTLRJ-RGVLZGJSSA-N	420.560	3.634	50	40	HHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1	5543906	QRKQZNAKFVMGGP-RWOVVYLESA-N	402.450	3.864	50	40	HHGB	
CCOc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)cc(Br)c1O	6048113	YJEQYUDAXARTCX-MDWZMJQESA-N	403.280	3.935	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1	9311311	JPMFOFJNEVWRHR-IZZDOVSWSA-N	418.203	3.617	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1	12275547	JCUIBYWUGRMTFY-JPYJTQIMSA-N	422.506	3.737	50	40	HHGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Oc4ccccc4)c3)[C@H]2C1	12292274	WGCMIHJEWSIUSI-XZOQPEGZSA-N	407.477	3.834	50	40	HHGB	
CCCOc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1OC	40144621	RBRSPOLIQRUBRQ-UHFFFAOYSA-N	416.522	3.634	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	58886690	VLBDCEYRSVTKRS-NMWDDECMSA-N	420.469	3.966	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1	408569798	PZAZOPURIBGFQL-CIAFOILYSA-N	418.540	3.712	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1Cl	408602544	CIGMSEFXUGSDSX-MRXNPFEDSA-N	401.923	3.593	50	40	HHGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	3112122	YGDXHMXHFGXYBW-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	11692108	KUXKKPDIMCYVNF-MRCUWXFGSA-N	418.472	3.947	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)cc4)CC(=O)N32)cc1	12275948	YZAZATUTKDUVJD-AUSIDOKSSA-N	422.506	3.737	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC#N	408741463	JCKVXHBZKPMQAS-ZROIWOOFSA-N	412.243	3.906	50	40	HHGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OC	408864111	SXVFTLFIHDYLLE-JPDQMXGXSA-N	407.239	3.769	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408933868	ASYWZWPADNKRLW-WMJRALALSA-N	409.317	3.766	50	40	HHGB	
O=C(OC[C@@H](Br)C(F)(F)F)OC[C@@H](Br)C(F)(F)F	1083809198	WZFDOVJPOHRMHS-QWWZWVQMSA-N	411.918	3.791	50	40	HHGB	
COc1ccc(C(=O)COC2=C(C#N)C3(CCCC3)[C@H](C#N)C(S)=N2)cc1OC	1073574	ZBFPEBACQVVCLA-OAHLLOKOSA-N	411.483	3.680	50	40	HHGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1	6455017	PJFCKYABOLAYAV-RHSMWYFYSA-N	415.584	3.881	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1	8995484	SOCFPGVLUXHZJQ-SFHVURJKSA-N	407.495	3.796	50	40	HHGB	
CCC/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	9335272	MBEPMUAXDGEJLF-XDHOZWIPSA-N	424.320	3.766	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2I)cc1	20197485	PTBDOWHEUGTNBG-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	33343681	CUTUECHMSUWIPQ-WQRHYEAKSA-N	408.454	3.800	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408569823	QFVKFLPFAHJMQA-XGICHPGQSA-N	415.808	3.980	50	40	HHGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1	694858	ISUKGGAJICIVKP-YDZHTSKRSA-N	412.877	3.756	50	40	HHGB	
C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)NNC(=O)c1ccccc1	9883627	XCPQFRHYEYOVTK-SECBINFHSA-N	415.660	3.653	50	40	HHGB	
Cc1ccccc1NC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	17092385	MLSFJNDYGWWBRC-UHFFFAOYSA-N	420.542	3.663	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccccc1Cl	58914223	AZERNAKGTIZDLM-YSMPRRRNSA-N	422.916	3.904	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1	59435261	ANOQPDTUTXXTFF-OEAKJJBVSA-N	421.409	3.724	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2F)c1OCc1ccc(C(=O)O)cc1	409187802	UMGBGARNJQWAIH-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
CNNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1	1415753	QKGRSFRRQMFVHO-UHFFFAOYSA-N	401.801	3.532	50	40	HHGB	
COc1ccc(CCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1	2657478	QDQCBUMEWRVFAE-UHFFFAOYSA-N	404.466	3.521	50	40	HHGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccc(Cl)cc1	5604310	XHJHMMRODJZVOO-LSCMLXDISA-N	408.841	3.743	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	6376303	SILDMZSRZYITHV-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)n1	6611442	YPNXPKIHJQEYSH-UHFFFAOYSA-N	406.530	3.857	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)sc2ncnc(N)c12	107561044	XEBJGMZEESSTFZ-JQAMDZJQSA-N	422.489	3.892	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408611620	RDJKWAWKXHGHQS-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Br)c2)cc1	408790479	WMNKDFWHINYOSU-RIYZIHGNSA-N	415.243	3.767	50	40	HHGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccco2)c(Br)c1	711857	PKCSOXLSRGDVLD-REZTVBANSA-N	416.069	3.642	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@@H]1c1cc(Br)ccc1F	8442067	WPJAIQVCCFQKQO-CZUORRHYSA-N	415.291	3.745	50	40	HHGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21	13811583	RTZIZRBWYIMHJB-ZZEZOPTASA-N	418.884	3.777	50	40	HHGB	
COc1ccc(-c2nn(Cc3cccc(Cl)c3)cc2/C=C(/C#N)C(N)=O)cc1OC	44790588	VVNXJOHCWZCBDW-SXGWCWSVSA-N	422.872	3.661	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OC	408877924	YELKJDWCXGNYSO-OMBDHMDGSA-N	402.472	3.612	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1	408879972	IALWGDZTRQJIDQ-YSMPRRRNSA-N	422.916	3.904	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC	3087995	SRMJDLKVLRBSSY-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1	5883903	ZUPPPYUDVGXWLN-GOSISDBHSA-N	417.425	3.992	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)c(C)c1	13858058	VQZNICBNEBURRH-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccco2)c2ccccc2)cc1	32909586	UOMXBMJGOBFGHW-HXUWFJFHSA-N	419.481	3.509	50	40	HHGB	
Cc1c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C	44024650	DBDZVGUNVBQHDN-XMHGGMMESA-N	416.481	3.817	50	40	HHGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1I	95470388	PGHCIJPDOAJOOQ-UHFFFAOYSA-N	404.187	3.931	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c(C#N)c1C	408547201	UWHGZQTVIPHQCA-OVCLIPMQSA-N	408.435	3.522	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1	408994497	GHPMJYWYKDUOIL-XYGWBWBKSA-N	403.482	3.964	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1O[C@@H](C)C(=O)O	409250273	MWMGGJOOGHYJAK-LUKZVCJISA-N	411.241	3.618	50	40	HHGB	
O=C(N/N=C/CCc1ccccc1)c1ccc(C(=O)N/N=C/CCc2ccccc2)o1	6338592	GWTWOMIHDDBHPW-RPCRKUJJSA-N	416.481	3.976	50	40	HHGB	
O=C(CCCOc1ccccc1Br)NNC(=O)c1c[nH]c2ccccc12	40120807	ADPYABYWMJPWMK-UHFFFAOYSA-N	416.275	3.551	50	40	HHGB	
O=C(NNC(=S)Nc1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCC1	71195129	YMOWPNFNICAQLU-UHFFFAOYSA-N	421.526	3.963	50	40	HHGB	
Cc1ccc(S[C@H](C)C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1	409128806	IXMFLVKAXGVCDM-LLVKDONJSA-N	418.316	3.711	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	1649632	HOVJSLVQBXFGGS-VNIJRHKQSA-N	424.096	3.879	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1	3176489	ABDCOUGPXFTQKW-QZLJHNFXSA-N	413.477	3.769	50	40	HHGB	
O=C/C(=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2o1	100929658	ORXYDHQMEDMYHV-PEZBUJJGSA-N	411.483	3.654	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	409254417	ZCACNHAMYCXRJZ-SRZZPIQSSA-N	424.369	3.844	50	40	HHGB	
COc1c(/C=N/NC(=O)c2ccccc2)cc(C)cc1/C=N/NC(=O)c1ccccc1	710868	IOAZHCKGPVYYBB-RYQLWAFASA-N	414.465	3.531	50	40	HHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)/C=C/c1ccccc1	2268411	ZYCXMSGFARDXBQ-SSALVRQISA-N	401.466	3.518	50	40	HHGB	
Cc1cc(C)cc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)c1	4944760	XHZWFWQCDGDLAA-RUZDIDTESA-N	410.477	3.715	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c(O)c([N+](=O)[O-])c1	15133951	AZCHPBNFQGIFND-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NC[C@@H]1CCCO1	16881162	PRDLKLLZGDBHNT-SHRNQRGKSA-N	401.260	3.911	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1	409006645	QNARSYREHIBTFO-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1	409025105	QMIIFTNVSSORQJ-HAVVHWLPSA-N	415.559	3.983	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1	3068036	XRMHVHDGOVAZMI-FYJGNVAPSA-N	418.291	3.717	50	40	HHGB	
Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21	5307410	BDQMKHLKRMICRB-DQRAZIAOSA-N	412.493	3.869	50	40	HHGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)c1ccccc1OCCOc1ccccc1	7593628	IBFDYEPMSYGBEF-NTCAYCPXSA-N	420.440	3.758	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N32)cc1	12275471	RFOKVWUUYIKRAQ-PGRDOPGGSA-N	410.470	3.868	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	20248841	XLSHJNNSWOXXFS-KEBDBYFISA-N	421.316	3.619	50	40	HHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(OCc2ccccc2)cc1	34805821	YVBCMLCLOHEDGQ-MXAYSNPKSA-N	403.438	3.557	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)c(OCC)c1	1073916	HHWLEOINYXEQDX-LJQANCHMSA-N	404.422	3.809	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2=O)cc1	6962924	FTVQCHKVFZZMCD-BFTFCADCSA-N	407.514	3.886	50	40	HHGB	
CCCOc1c(Br)cc(/C=N\NC(=O)c2ccncc2)cc1OCC	28617616	VFZIXTAEOJZKQW-MTJSOVHGSA-N	406.280	3.796	50	40	HHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(OCC)c1	408885419	ZOVJLDTZRWWKLO-WOJGMQOQSA-N	410.470	3.725	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409376546	ZDCXBOZFYMHUFI-SSDVNMTOSA-N	404.854	3.881	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	34876069	VUAPCSBHCXBBLY-ZWOKBUDYSA-N	414.387	3.884	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Cl)c([N+](=O)[O-])c1	408882618	RFTHAYVWFIXSMS-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH]n1	1505534	YVKYGTKHHNKYSP-ZVHZXABRSA-N	404.470	3.999	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OC	2165726	KFLJOQZVBKPEIN-WSDLNYQXSA-N	403.866	3.535	50	40	HHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3085416	WUTMJLWWQKOMIB-PCLIKHOPSA-N	401.466	3.917	50	40	HHGB	
N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(O)cc1	5603925	SIQOSXSVRXEMBN-JTDSTZFVSA-N	400.360	3.581	50	40	HHGB	
NC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1	12958653	AZACSKMVTPRKGH-UHFFFAOYSA-N	402.448	3.522	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1	36047061	CBHJHSVEFKBIRZ-WWJLXRQJSA-N	401.422	3.757	50	40	HHGB	
COc1ccc(C(=O)N(NC(C)=O)c2nc3c(Cl)cccc3s2)cc1OC	36357867	RHMAIDINHUBHST-UHFFFAOYSA-N	405.863	3.665	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-]	408598463	AXLDTABUYVLBML-YBFXNURJSA-N	404.220	3.686	50	40	HHGB	
COc1ccc(C2=Nc3ccc(Cl)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc1	1305792	NZDAVXZOHRTPKW-JOCHJYFZSA-N	420.900	3.822	50	40	HHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc2ccccc12	19849425	BDEUDPVCYGBVCA-QQXSKIMKSA-N	420.944	3.761	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	19880036	GKGXPMNWWLXJFZ-FQEVSTJZSA-N	423.494	3.911	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(Br)cc1	20072405	XAWPNUAWIXHIHH-UDWIEESQSA-N	417.263	3.721	50	40	HHGB	
C[C@@H](C(=O)N/N=C\c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3	31858911	PDLLBXGBSCLZCX-XNIDKHOESA-N	414.918	3.702	50	40	HHGB	
Cc1ccc(OCCCN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1	40138257	UONCEFPTSTXWAN-RWEWTDSWSA-N	413.477	3.945	50	40	HHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccccc2F)[C@H]3CCC1	61872437	FWTHWFXTSOQSCW-RVWJGDDESA-N	404.489	3.932	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	107972129	PLNGZARLYNLGNP-MTJSOVHGSA-N	408.370	3.764	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OC	408540902	CPWAUROKCWZIDB-AUWJEWJLSA-N	400.818	3.991	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408817761	ULWPHRBYHKEULW-QGOAFFKASA-N	418.453	3.576	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	408892868	DIZSKAXMGBXECH-KPKJPENVSA-N	402.204	3.912	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409050393	VHINEPFCZSXQOA-FOCLMDBBSA-N	400.434	3.689	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(C)c3)cc2)cc1	409115283	LMODMOCHFGKFCE-LFVJCYFKSA-N	421.522	3.892	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	1439571	GNEGOVJYDYDNFM-MDWZMJQESA-N	400.818	3.689	50	40	HHGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(Cl)cc1	1512790	JWLBCLYRUSLOMZ-RGVLZGJSSA-N	414.878	3.528	50	40	HHGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1O	2215973	TUXAZQCIOWYVTE-INIZCTEOSA-N	411.458	3.759	50	40	HHGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2	16160683	OOUOOXCJBPJHND-UNOMPAQXSA-N	412.921	3.784	50	40	HHGB	
CCN1c2ccccc2C2=C([C@@H](c3ccccc3Cl)C(C#N)=C(N)O2)S1(=O)=O	20558405	TTWXJXHJOXZEMI-KRWDZBQOSA-N	413.886	3.686	50	40	HHGB	
CSc1ncc(Cl)c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	30775769	KJHAHTZNGAFSCJ-UHFFFAOYSA-N	407.761	3.536	50	40	HHGB	
O=C(Cc1cn2ccsc2n1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	33499171	ZBRCWVNQOXWRIW-RMQQKZCOSA-N	402.479	3.983	50	40	HHGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	33957927	BWWWVFOEDGKMRQ-NAHYFOQLSA-N	414.387	3.946	50	40	HHGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	58913952	KROXUNWLRKBJBN-KSEXSDGBSA-N	407.301	3.543	50	40	HHGB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408603360	GBNLORSGWICBEW-INIZCTEOSA-N	418.906	3.685	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408755124	PTAMDJRWQRMMSD-ZMOGYAJESA-N	416.393	3.932	50	40	HHGB	
O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CN(CCCl)CCCl	2049236297	OJHPKGLOUCYNIY-UHFFFAOYSA-N	420.343	3.533	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1	2076782	ZJCJCNLCTJRYAP-OAKZWBAKSA-N	401.466	3.593	50	40	HHGB	
CCOP(=O)(CC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)OCC	2415914	RDZRQECAACERAP-WOJGMQOQSA-N	409.335	3.571	50	40	HHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)n1	5042801	KHACSUUZCFHEAX-SFHVURJKSA-N	414.494	3.804	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	5128140	WJVPNBKBUCOWCI-FOKLQQMPSA-N	410.361	3.694	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1	5205625	OYNZPONKMXWPGB-HKOYGPOVSA-N	421.522	3.807	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC	6180638	PKQKSWDXEOLBIS-BUVRLJJBSA-N	419.437	3.894	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3c(Cl)cccc3Cl)CC2)cc1	19367370	IGPZZDUEEURVEV-ZMOGYAJESA-N	419.356	3.570	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1	31771615	FALQSMMCBWPGTO-OYKKKHCWSA-N	400.438	3.914	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1	58912855	IAYLTDQZZSODEY-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)cc1	107564952	SRYYGIHQWPWCML-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCC(=O)O	409070954	HOEKSMBIRMNIIN-GZTJUZNOSA-N	424.428	3.962	50	40	HHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc(Cl)cc1	409222278	CEDFACLKTSOINW-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccc(C(C)(C)C)cc1	1308116	BJTIABDDRGGEOD-ZVHZXABRSA-N	422.558	3.900	50	40	HHGB	
COc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(F)cc2)c1	1434221	PRLDBALBPGWHKT-AFUMVMLFSA-N	408.429	3.942	50	40	HHGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	6455729	ADZXJKRQVMQDNJ-XJKSGUPXSA-N	403.935	3.813	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	6651026	UJZJJSUEFFKCNE-PXMCARDJSA-N	407.514	3.986	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)cc1	10475787	LXCROVSCWKYGND-BUVRLJJBSA-N	406.438	3.825	50	40	HHGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)c1	12276187	DDPVNYXVKAMKQW-GAJHUEQPSA-N	422.506	3.655	50	40	HHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccco3)nc3ccccc3c2=O)cc1	16712128	QGRHGTDNPKJQGN-QRVIBDJDSA-N	418.478	3.530	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408612024	TYTVOCRJVBSXIM-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cccc(Cl)c1Cl	408906946	FGBOSYWLUUTWRQ-UHFFFAOYSA-N	420.362	3.976	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)CC2=O)cc1	409255467	ZYCZTPCORONHNF-BMYBCIMUSA-N	420.296	3.895	50	40	HHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(COCC(F)(F)C(F)F)cc1	1005687	OFPGDZWIOXSLTJ-KTZMUZOWSA-N	412.339	3.596	50	40	HHGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1OC	6679040	YKSQMMYBJZQSTK-WJDWOHSUSA-N	402.397	3.571	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)cc1	12251126	RUDWRMIBJDOKJG-GOSISDBHSA-N	422.466	3.823	50	40	HHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	12362713	GFQRBRNQBJNXMV-XTCLZLMSSA-N	403.869	3.950	50	40	HHGB	
CCOc1cc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1O	20238044	UVZAUOINMKODMO-INIZCTEOSA-N	411.483	3.599	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1ccc(Br)cc1	28216599	MDILENXSQILTPQ-LPYMAVHISA-N	417.351	3.793	50	40	HHGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1	34868414	DOWLOHPZCXHFER-QINSGFPZSA-N	402.366	3.629	50	40	HHGB	
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59515888	QSGYXGHQPRFYIF-UHFFFAOYSA-N	415.559	3.521	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	107945945	KGGWHSKXQIESLP-NVNXTCNLSA-N	410.813	3.604	50	40	HHGB	
Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1	2750354	BMIOOUONAFVNRR-MDBUFAAASA-N	407.255	3.550	50	40	HHGB	
O=C(NCCSSCCNC(=O)NC1CCCCC1)NC1CCCCC1	4100231	ZOGBYDWBRCODKD-UHFFFAOYSA-N	402.630	3.632	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(O)c1	4735351	DXRKYUBGCGADDO-FYJGNVAPSA-N	404.308	3.694	50	40	HHGB	
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)N/N=C\c2cccc(OC)c2OC)cc1	5208168	RPPIBEKYOUOGOJ-JLPGSUDCSA-N	422.485	3.674	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(-c3cccs3)no2)c1C	7089749	OIMMQYYGERAAIF-MHWRWJLKSA-N	412.471	3.513	50	40	HHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(=O)(=O)c1ccccc1	19937016	KVFLBMPRQMMATI-HKOYGPOVSA-N	419.506	3.832	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218145	FGXGLKMONBWEII-AFUMVMLFSA-N	416.868	3.862	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1	59101585	ZGZMKZSOPRLAPB-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cccnc1	408791036	VFUBVBLOKNNWQY-AELGHDNASA-N	407.481	3.697	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N3CCCC3)cc2)c1	409171243	YZAOQSYLTPCQKN-XSFVSMFZSA-N	403.482	3.850	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O	9281510	YWLPMZXFHFRYJW-NTCAYCPXSA-N	420.856	3.658	50	40	HHGB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)CCC(=O)O	250847505	JQDSGLIUUVQLER-CXRJVLIISA-N	402.535	3.647	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1	408872111	KORAIMHZKVBSOJ-WLRTZDKTSA-N	407.253	3.940	50	40	HHGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	1445348	JLXIUNKEJSHNHP-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NN(C)c3ccccc3)cc2)c1C	8172287	QGMGDSCGVHSYTR-UHFFFAOYSA-N	409.511	3.885	50	40	HHGB	
CCn1c(NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)nc2ccccc2c1=O	9857471	HCKWTVJTHGUKLW-LBPRGKRZSA-N	402.907	3.694	50	40	HHGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2cccs2)cc1	17093043	LVCVHAXDVVSXLZ-OEAKJJBVSA-N	422.466	3.992	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)cc(Cl)c1O	20248816	NCFMVNKTUHVISN-FBCYGCLPSA-N	414.270	3.991	50	40	HHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCN(c2cnccn2)C1	45262993	VYGKMHQOUSPKPQ-JTQLQIEISA-N	400.697	3.797	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)CSc1nc2ccccc2s1	85909735	XBKGTMKQFPMEOK-NHDPSOOVSA-N	423.523	3.738	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3cccc(O)c3)c3ccccc32)o1	409394338	ZBGMSYOMLYTABW-MSXFZWOLSA-N	417.421	3.539	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1444766	OJZYWVHJEDYQFO-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N/N=C/c1ccc(O)cc1	5903047	CIDCYURCZOZVNA-ZVHZXABRSA-N	418.522	3.970	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSc1cccc2cccnc12	6130487	VZNFZRGPLLYMBL-ZMOGYAJESA-N	417.494	3.677	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br	6182158	QGCMGWRKVINPGI-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
Cc1cccc(-n2ncc3c(NNC(=O)c4cc5ccccc5cc4O)ncnc32)c1	7393213	CFRZKUBNTCKCDN-UHFFFAOYSA-N	410.437	3.740	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc([C@@H]3C(C#N)=C(N)Oc4cc(N)ccc43)o2)cc1	8846200	PZZQNHAEZRWQEA-NRFANRHFSA-N	401.422	3.924	50	40	HHGB	
COc1ccc(CC(=O)NNC(=O)N(c2ccccc2)c2ccccc2)cc1OC	18192234	PAIKCRKKGOJZMK-UHFFFAOYSA-N	405.454	3.825	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	20238100	LLZDFDCKTIHBRK-SFHVURJKSA-N	406.467	3.810	50	40	HHGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3cc(Cl)ccn3)cc2)cc1	60776595	BGIVOLQIWQTNFE-UHFFFAOYSA-N	401.875	3.633	50	40	HHGB	
C/C(=N/NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccccc1O	100923072	QHDMLRGMOMAWGP-OYKKKHCWSA-N	414.469	3.739	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408771237	GFLRSJCWSOWGQI-MFKUBSTISA-N	414.465	3.917	50	40	HHGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	408942910	RYZQOFXYVRMBLF-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1	409009698	HNXRORZKFNVZEZ-XKZIYDEJSA-N	409.467	3.538	50	40	HHGB	
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccco2)c1	409223615	HEQRUYKFFUYOON-UHFFFAOYSA-N	417.343	3.626	50	40	HHGB	
COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)cc1	890583	PKIVYBFEIAYGSZ-SAPNQHFASA-N	401.466	3.914	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1O	1084715	BUXLZVYEUYGZQC-KEBDBYFISA-N	411.683	3.900	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)cc1	4722806	SGCAJULDRSWAAS-LUAWRHEFSA-N	408.195	3.829	50	40	HHGB	
O=N[C@@H]1[C@H](Br)[C@H]2C[C@@H]1[C@@H]1[C@H]2C[C@H](Br)[C@@H]1Br	4726392	SZPWXGQNCFUWFY-XONCRIOHSA-N	401.924	3.698	50	40	HHGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1	5482442	ZBQUUHDWFWWEHV-GOSISDBHSA-N	410.817	3.969	50	40	HHGB	
CCc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	20208891	VKKMRZVFLZJOHE-UHFFFAOYSA-N	407.580	3.724	50	40	HHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)COc2cccc3cccnc23)cc1	408953058	ODJPJVUNNGJZSV-WGOQTCKBSA-N	413.481	3.621	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)sc2ncnc(N)c12	6044047	YQMNEBBFATXMEA-KIBLKLHPSA-N	404.499	3.753	50	40	HHGB	
O=C1Nc2c(ccc(Cl)c2Cl)/C1=N/NC(=O)c1cc(-c2ccccc2)on1	46096697	CAYKIPFRIXOJJI-UHFFFAOYSA-N	401.209	3.735	50	40	HHGB	
COc1ccc(C(C)=NNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(OC)c1	250869825	AJMCEKZDSRZQRJ-UHFFFAOYSA-N	406.486	3.719	50	40	HHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	1311407	SBNDMDZYCGAFQT-GHTZIAJQSA-N	405.498	3.677	50	40	HHGB	
CC(C)(C)C1=C(C#N)[C@H](c2cc3c(cc2Br)OCO3)C(C#N)=C(N)O1	1480475	QVVAQOBOUZISFJ-HNNXBMFYSA-N	402.248	3.809	50	40	HHGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)Nc1ccc(F)cc1	1894986	DQHDJDBQUBPMAH-UHFFFAOYSA-N	408.886	3.524	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Nc2cccc3ccccc23)c(C(=O)O)c1OC	2752776	OBZCFTVXCJTWBZ-KIQCMGJBSA-N	421.453	3.506	50	40	HHGB	
O=C(CSc1nc2ccccc2o1)NNC(=S)Nc1ccc(OC(F)F)cc1	3277222	IDOSDRNSYSGIHE-UHFFFAOYSA-N	424.454	3.539	50	40	HHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(N)cc2)cc1	6830886	ZFPFZPVNARBTBZ-CVKSISIWSA-N	411.465	3.894	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c1C	12844045	DAFAMGSOAMFNFZ-ZVBGSRNCSA-N	405.292	3.917	50	40	HHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	33871786	JVSDDMQOUNSALV-MTJSOVHGSA-N	421.438	3.908	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)o1	409393371	QPRUFQQGJIWXFC-AFUMVMLFSA-N	415.449	3.762	50	40	HHGB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2O[C@H]1C	2381564	SNOKPOBGFORGGR-YFAZAHCKSA-N	401.507	3.892	50	40	HHGB	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccc(Br)cc1	3167859	VSDILLOEYMBJBH-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1O	4899153	DMUDUAVBZBTJGO-QGMBQPNBSA-N	406.261	3.538	50	40	HHGB	
N#CCc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1	5936473	ADBRULRTQCOOAQ-SFQUDFHCSA-N	402.273	3.766	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	58912940	FIRRNFJJXGLPNC-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
O=C(N/N=C/c1ccccn1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	59472771	YMYNZBMABDPAMI-RWOVVYLESA-N	416.506	3.620	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(OC)c1OC	59473367	MVCLKJYLXJALIW-KIHMUJGBSA-N	408.907	3.997	50	40	HHGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC(C)(C)N1	1834902	GAGYRXAMCCECTP-CAYVGHNUSA-N	413.400	3.571	50	40	HHGB	
Cc1cccc(N2CCN(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C	5489025	IEJXFWLMABQMEM-HMMYKYKNSA-N	415.946	3.918	50	40	HHGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21	6624875	GEPLUWRHVSKMPW-DHRITJCHSA-N	415.449	3.740	50	40	HHGB	
CCn1c(NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc2c1=O	11161698	FYTSXBTXUXRDOR-UHFFFAOYSA-N	423.473	3.520	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(Cl)cc1	16745509	HLRRHEGVPUUPMF-QUWSGOTNSA-N	411.914	3.821	50	40	HHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)c2ccccc21	19853167	CCDUURLODCSMBE-LCAJTWGOSA-N	411.509	3.683	50	40	HHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1ccccc1	409247752	NPWYPCZTIAZRFT-ODYDIQAQSA-N	416.231	3.847	50	40	HHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c1	1055671	DRPKYASWXNFSDE-AFUMVMLFSA-N	406.413	3.882	50	40	HHGB	
N#CC1=C(N)Sc2cc(N)ccc2[C@H]1c1ccccc1I	4730659	RDWCERWRXSACSM-OAHLLOKOSA-N	405.264	3.805	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1	5881714	XDQJYCJKDZHZDO-GZTJUZNOSA-N	410.857	3.883	50	40	HHGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1	6455727	PJFCKYABOLAYAV-YOEHRIQHSA-N	415.584	3.881	50	40	HHGB	
CCOc1ccc(NC(=S)NNC(=O)COc2ccc(C(C)C)c(C)c2)cc1	6784512	QRWVIBXKRBEKSU-UHFFFAOYSA-N	401.532	3.914	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OC	7009735	YAZMNCOTVPWHAN-SSDVNMTOSA-N	420.307	3.727	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2sc(N)c(C#N)c2C)o1	13616147	LCGGLAMWYLJEQX-AFPJDJCSSA-N	409.427	3.751	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)c1C	20215078	NELOTNFRJATXMB-ZVHZXABRSA-N	423.538	3.681	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2I)cc1	33665100	OTTIZPGAZUZVDP-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	59960298	ZUBKXWCVLXGRQC-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(Cl)cc1	100059282	VXEQIKRXQVHKBJ-AFUMVMLFSA-N	417.937	3.686	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)cc1Cl	408972726	VRJDDYISNDMYLC-ZVHZXABRSA-N	414.937	3.909	50	40	HHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1	409052709	HXFPRBSLFFSKLE-WGARJPEWSA-N	413.481	3.608	50	40	HHGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc2Cl)c1	409253501	VEWRFPOEPQUAHY-NSIKDUERSA-N	404.253	3.983	50	40	HHGB	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)c1C	2147650	UOEZLFSJDCYGIN-CIAFOILYSA-N	402.292	3.935	50	40	HHGB	
Cc1cc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)cc1Br	3235827	RILHXGKCKOQCGU-REZTVBANSA-N	412.265	3.810	50	40	HHGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2cccs2)c1	5381917	YEYQWICTRSHKSC-YDZHTSKRSA-N	407.451	3.883	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OC	9659891	HEKXZPJKZNUOEG-UFFVCSGVSA-N	421.291	3.612	50	40	HHGB	
CC(C)=NNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1	20059637	ZJBHDDREEXDACZ-UHFFFAOYSA-N	414.314	3.701	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc1	26123782	OPDMHDKFZXMTNK-RGVLZGJSSA-N	407.264	3.716	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)cc1	35110178	RWWACWYWNCQIGP-HGBKYHTQSA-N	411.914	3.821	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	58900611	FCJCECJFFAFJJV-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	108258879	CZNGAZDEDLJDRC-UUYOSTAYSA-N	422.466	3.845	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	408861017	KUQCGMSSBXJREB-VZUCSPMQSA-N	403.778	3.517	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1F	408969264	KHIUPPGOSRYRAB-FRQJIFLKSA-N	406.461	3.561	50	40	HHGB	
CCN1C(=O)/C(=N\NC(=O)c2cccc(Cl)c2)c2cc(Br)ccc21	409162624	XURLNSLJKVZGPU-HKWRFOASSA-N	406.667	3.603	50	40	HHGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1	5539081	AQNHLEUCDKXDLN-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
COc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1	6477713	KHDHSGOPYYVFDW-MRXNPFEDSA-N	407.495	3.714	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCO3)o2)cc1Br	6842152	YSGMZRBUEGWTFC-RGVLZGJSSA-N	407.264	3.621	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC	8228895	DKLOXXFMBHDYHP-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	102394541	JVERCSCYDRCHTK-OUKQBFOZSA-N	405.863	3.523	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OC	59333017	UDADVPXXLZNFHF-ATVHPVEESA-N	411.889	3.613	50	40	HHGB	
C#CCOc1c(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)cc1OC	408818633	OECGAPFAQFCWKM-OVCLIPMQSA-N	414.259	3.530	50	40	HHGB	
COC(=O)[C@@H]1C(=O)NC(SCCCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409131210	KFIZVGCBWQNHEM-UXHICEINSA-N	406.507	3.790	50	40	HHGB	
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	409205557	PJFNKEZMFIOADS-JXELUCIISA-N	404.514	3.616	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc1	409226703	RKVACTJULOGMHY-QRVIBDJDSA-N	419.393	3.592	50	40	HHGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccccc1Cl	3168684	HPPRCPUFTJXSFK-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCCO3)[C@H]1C[C@@H]1c1ccccc1	5562897	SXEFCLHNSIXGPM-QYPIABMHSA-N	407.857	3.913	50	40	HHGB	
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1	15435492	LEFBSBWERMVOPE-KRWDZBQOSA-N	422.312	3.599	50	40	HHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccccc2[N+](=O)[O-])c(Br)c1	20100935	GELIDPGAUKEAKT-OCKHKDLRSA-N	406.236	3.503	50	40	HHGB	
N#C/C(=C\c1c(-n2ccnc2)nc2ccccn12)C(=O)Nc1ccc(F)c(Cl)c1	96035439	CPIILYWVODPRTL-UKTHLTGXSA-N	406.808	3.858	50	40	HHGB	
COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)N=C2SC(C#N)=C(N)N21	408609126	YXNDRGUNNPZWAB-LJQANCHMSA-N	417.494	3.719	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc([N+](=O)[O-])cc1	408870360	WBLXCHCPXWVEDA-QRVIBDJDSA-N	421.409	3.652	50	40	HHGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])c1	409228001	YZVHGTVSDKNSDN-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(C)cc2C)cc1OCC	2794821	RYUJFWLHIGHJQG-UHFFFAOYSA-N	401.532	3.661	50	40	HHGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1OC	9271203	NUDPHROIBLWHDE-ZMOGYAJESA-N	403.442	3.729	50	40	HHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)[C@]23CC[C@@H](C[C@@H]2Br)C3)cc1C	101779198	ZCKNWEUOFNDEGF-NUTKFTJISA-N	415.353	3.649	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(O)(c1ccccc1)c1ccccc1	107823200	YYNCUIJLMCYNOS-OEAKJJBVSA-N	409.829	3.634	50	40	HHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	408830669	NKSKXFVOEDEEMI-FSJBWODESA-N	418.877	3.590	50	40	HHGB	
CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccc(OC)c(OC)c1	654820	KHIIBXPIZPBRHI-GKXUUXLPSA-N	420.307	3.807	50	40	HHGB	
CCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2	987525	TXOPYZWLYBFHTA-FQEVSTJZSA-N	402.454	3.778	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OCC	1083339	LCRBLGQBWNQFDM-NLRVBDNBSA-N	418.493	3.870	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2ccccc12	1425048	AVKUFVIPIGYSLQ-LZCVXGSNSA-N	408.454	3.783	50	40	HHGB	
Cn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1cccc(Cl)c1	2437591	WGOSXWIFHQMWDO-FOKLQQMPSA-N	424.917	3.859	50	40	HHGB	
Cc1cccc(OCCC(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)c1	5950937	SDVLNJIQFLILSG-UHFFFAOYSA-N	404.466	3.804	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408727665	VJPRBCIPJZXYLT-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1C(=O)O	2797178	KZQWWAGCSLZWEV-RVDMUPIBSA-N	402.362	3.889	50	40	HHGB	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)COc4ccccc4Cl)cc3c2C1	3420284	KFHLDCHUSPKLTB-CYBMUJFWSA-N	411.889	3.786	50	40	HHGB	
N#CC1=C(N)OC(c2ccccc2)=C(n2cncn2)[C@@H]1c1ccc(Br)cc1	8663688	FUNRAQXNUHUURG-QGZVFWFLSA-N	420.270	3.874	50	40	HHGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(N2CCCCCC2)nc1	89768348	IINDTSXETXMMDV-UHFFFAOYSA-N	407.301	3.844	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(OC)c3)c2C)cc1	408741583	JVKNVFRBOZWSKU-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408983157	LAWVGSPDDAGPDZ-NVNXTCNLSA-N	414.845	3.755	50	40	HHGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)c1	409004414	CNYCFXKJJLDKQE-YZSQISJMSA-N	415.493	3.851	50	40	HHGB	
COc1ccc(-c2csc(NNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1	1415070	YRYQCFUBFDDCES-UHFFFAOYSA-N	415.471	3.601	50	40	HHGB	
O=C(NNc1ccc(I)cc1)c1cc(Cl)nc(Cl)c1	2158881	OFFBTVQGBSOROM-UHFFFAOYSA-N	408.026	3.750	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl	2749728	TWXUOBXLJUZHAY-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(Cl)cc1	4702573	NXVAVKBNQRNYNH-WYMPLXKRSA-N	409.829	3.727	50	40	HHGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1	13512595	WCXHIOXBJLOALR-QYZOEREBSA-N	419.282	3.575	50	40	HHGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	100522578	MFJHNLMMSHZRJT-FSJBWODESA-N	408.285	3.814	50	40	HHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1ccccc1	101028311	YSPGGQPHFYOSNN-TZQXVGBESA-N	401.098	3.693	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3OC)c2C)c1	408590565	PQLWEJVJSKOAKR-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
COc1cc(C(=O)N/N=C/c2cccc(Cl)c2)ccc1I	408747929	VVCOTDFQVXUXAS-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
C#CCn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	408750812	RZOSPZMTKOJDSK-IMRQLAEWSA-N	407.473	3.661	50	40	HHGB	
Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(CCCl)CCCl)c2)c1	645219	MPQKLKUHHXDAAY-UHFFFAOYSA-N	415.342	3.716	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)c(OC)c1OC	1022433	RTDHVSIMYBIAHH-FSJBWODESA-N	400.475	3.673	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br	4953752	ZYLILDLPRLTTTP-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1cccc(C(F)(F)F)c1	5676536	FBXTZIVGEJFMPK-UHFFFAOYSA-N	419.469	3.688	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)c(C)n1-c1ccccc1	7244694	WQEOLCSJYSLKIV-HZHRSRAPSA-N	408.527	3.756	50	40	HHGB	
COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C	12928069	ZJDKBTINRXIWRP-INIZCTEOSA-N	422.481	3.864	50	40	HHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)c1O	30821986	HYVUMZOHJNQGFJ-JCRYTKJOSA-N	415.446	3.742	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCc1cccc(C(=O)O)c1	59248812	AYDYZPLUBXVJSA-UUYOSTAYSA-N	410.451	3.798	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)O	408735233	OUORPAJRHYFXQD-RIYZIHGNSA-N	400.818	3.748	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1O	408765447	WBEXLWFOMQHPOI-WQLSENKSSA-N	420.206	3.551	50	40	HHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)cc3)oc12	408960604	NDZBWIOWSONHQV-LPYMAVHISA-N	408.414	3.714	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1	408963915	BFBGERMAEOCVJZ-FOKLQQMPSA-N	408.345	3.638	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409008494	XFDJCNOHSDRYHY-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3c(C)c(C)cc1c32	814345	OQPKDMUZOXBYHT-RUZDIDTESA-N	415.493	3.815	50	40	HHGB	
O=C(CCCCCNC(=O)c1ccccc1Br)N/N=C/c1ccccc1	2675993	LZBCKAFKLRGCES-HZHRSRAPSA-N	416.319	3.890	50	40	HHGB	
Cc1cc(C)cc(C(=O)NNC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)cc2)c1	3427364	DVICISNPPGNTIV-UHFFFAOYSA-N	419.437	3.865	50	40	HHGB	
CC(C)c1ccc2c(c1)/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)C(=O)N2	6146360	GORUGHPUGKALIK-UHFFFAOYSA-N	404.392	3.713	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3OC)o2)cc1	6646221	MYJGIADHTFDDBK-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1	33734206	RJCAOBNQLQRPRC-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1	408546369	IMAAFVHWCJHACE-GZTJUZNOSA-N	418.474	3.836	50	40	HHGB	
Cc1cccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)c1	408876721	QJNZOLUYCCSCFJ-LSCVHKIXSA-N	412.081	3.990	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408962320	HIEKATKXBCDUMS-AWQFTUOYSA-N	403.778	3.776	50	40	HHGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(Cl)s1	408965132	GYFSUQRBGITSBG-APSNUPSMSA-N	420.659	3.535	50	40	HHGB	
N#CC1=C(N)Oc2oc3cc(F)ccc3c(=O)c2[C@@H]1c1cccc(Br)c1	1073638	VZWCBBXCKHHSOE-OAHLLOKOSA-N	413.202	3.913	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	4083681	GESKBACIJDIJOP-JFLMPSFJSA-N	411.465	3.909	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(OC)ccc4ccccc34)[C@@H]2C1	4312122	BMLYCPJMQOSECK-ZJSXRUAMSA-N	423.520	3.984	50	40	HHGB	
CC(C)c1noc2ncc(C(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cc12	11236834	MTVHHWSEGHGVKE-CQSZACIVSA-N	418.453	3.728	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1	33664680	ALQJUZSUQRUWKW-CIAFOILYSA-N	419.275	3.795	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	58913345	WPSOSXFTAOFMDW-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)cc1	408798705	WOORXBOXZAKZKE-NTEUORMPSA-N	415.243	3.790	50	40	HHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2n1C	945952	UMFPPYOXKLNTRH-YDZHTSKRSA-N	418.526	3.618	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	2669775	QOSSVMQMFSIPTL-JLHYYAGUSA-N	411.439	3.867	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1	8336707	IOFPRTKBUIAHQF-JMIUGGIZSA-N	411.443	3.504	50	40	HHGB	
N#CCn1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	33351610	BIWYEGLUXAWFFP-PKAZHMFMSA-N	408.461	3.551	50	40	HHGB	
CCC(CC)n1nccc1C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	89943226	FQFSYKDZOURDLO-UHFFFAOYSA-N	406.486	3.898	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c1	108933412	VINFDRABRBWEMA-HAHDFKILSA-N	423.473	3.698	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-]	408598437	AJMCKKOFIUPZKR-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)n1	408959508	ACLVZWYWBGUARP-LSHDLFTRSA-N	424.482	3.602	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1	408969488	ONOICJJMYJROIA-NZYROCMPSA-N	415.921	3.708	50	40	HHGB	
C[C@@H](C(=O)NN=C1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409029201	ZKDSUSMOORHIAU-INIZCTEOSA-N	415.515	3.680	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409341754	FKVXGBWFPLXLNQ-DHRITJCHSA-N	422.416	3.875	50	40	HHGB	
COc1ccc(-n2cnc3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1OC	1073812	NQWQHFKGGVCSLW-GOSISDBHSA-N	408.845	3.761	50	40	HHGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)cc(Br)c1O	3588655	ZDNPBORTTQBKHK-AWNIVKPZSA-N	412.236	3.641	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C(\c1ccccc1)[C@H](O)c1ccccc1	4032220	ZLWSHDKJZYNCLE-QJFIYUNTSA-N	416.506	3.909	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)[C@@H](C(=O)O)C1	4651550	OFKBFRUITMTUQP-MSOLQXFVSA-N	420.465	3.519	50	40	HHGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)c(I)c1)c1ccccc1	409244528	FAHNAATYLZRRRU-ZENNRRHLSA-N	418.234	3.781	50	40	HHGB	
O=C(c1ccco1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	2271309	KNYFSJZMWXZXBU-UHFFFAOYSA-N	412.445	3.894	50	40	HHGB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	4545797	SBHHCZOXYSEEOD-PGLVWIQMSA-N	424.501	3.797	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c1C	12364021	NFJMBIGHZOMPFE-ZMFRSBBQSA-N	418.428	3.655	50	40	HHGB	
N#Cc1cc(N(Cc2ccc(F)cc2)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1C#N	15022973	SRXZULAFBFXAPU-UHFFFAOYSA-N	415.384	3.829	50	40	HHGB	
O=C(COc1ccc(C2CCCCC2)cc1)NC(=S)NNC(=O)c1cccs1	32119016	CGLDWKZTWGNNBB-UHFFFAOYSA-N	417.556	3.510	50	40	HHGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2s1	105468514	ZUZCTPOTYFXWRT-CNHKJKLMSA-N	420.790	3.841	50	40	HHGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1cccc(C(=O)O)c1	107966851	OIWCQXDNAIAQSM-JYRVWZFOSA-N	418.190	3.535	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1	408759670	JGGCKUKIYQMAQA-YDZHTSKRSA-N	415.409	3.814	50	40	HHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	5020857	NCRPYDSFBAIHQS-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(OC)c1	6282293	SHXYIYQTRNPNPF-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(Cl)c2)c(OC)c1	408865404	AQRDHUSCIDCWRY-WLRTZDKTSA-N	407.253	3.940	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408925315	QYYMLWVTRVJTQT-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	409065241	GZDGSUYMPRCIOY-XMHGGMMESA-N	402.450	3.990	50	40	HHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1	409233877	IFWDCHWLNMHIFV-DKTFCQPKSA-N	416.231	3.847	50	40	HHGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)c1	806406	QTBCQISXXXCVOB-KRWDZBQOSA-N	408.845	3.965	50	40	HHGB	
O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	2679091	BYRQKOKUPITGEK-GORFKQKZSA-N	415.405	3.978	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccc(Cl)cc2)CC1	5634109	OFWXTEZWKXXWPE-LPYMAVHISA-N	400.866	3.611	50	40	HHGB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1	9404150	HSGGJGXHFISVAA-UHFFFAOYSA-N	420.494	3.505	50	40	HHGB	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(F)cc2)c1	17091796	SGIMOLZQGZGVLV-WGARJPEWSA-N	419.412	3.961	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(OC)c1	20885154	XISJVCRYEPRXQZ-QPJQQBGISA-N	417.680	3.795	50	40	HHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCN(c2cnccn2)C1	45262995	VYGKMHQOUSPKPQ-SNVBAGLBSA-N	400.697	3.797	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1Br	59401625	OAKOTCGDLKGUSG-RGVLZGJSSA-N	406.349	3.899	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OC	408876086	MQNQXKYGQLQNJD-SSDVNMTOSA-N	416.499	3.841	50	40	HHGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	409003042	QVWPEDGNBZTSCK-UHFFFAOYSA-N	418.291	3.509	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC)cc1OC	409319644	JNZLTKGFNPJXPA-MTJSOVHGSA-N	419.275	3.795	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1	2078386	CZRXSFXAHNZJTJ-XQNSMLJCSA-N	424.478	3.617	50	40	HHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2738820	PERIJWUKKNMSJI-LSFURLLWSA-N	417.252	3.731	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1	3167588	XGNKLPADLIVCOY-FYJGNVAPSA-N	404.308	3.824	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1	12275666	XZLGMBCYNSZLAJ-LAUBAEHRSA-N	412.898	3.992	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c(C)o1	32779896	OKIHSOSJHAZQHI-UHFFFAOYSA-N	400.866	3.934	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1	33739754	WTGIIOUVRICOFH-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	83311305	ITAXCUYFAOPVDH-LSCVHKIXSA-N	412.627	3.540	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	408599531	VUIJDRXOWRBIKO-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1Cl	408605532	LWHIYEJJAONANQ-AWEZNQCLSA-N	409.298	3.941	50	40	HHGB	
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1	408997991	PMPOUFSTNPVIRW-GDNBJRDFSA-N	418.234	3.523	50	40	HHGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21	409244315	AZHDCALWZKFWJQ-MCRQTXEHSA-N	401.466	3.989	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	4994053	IFFVCAYNCZPJFU-SFQUDFHCSA-N	416.319	3.916	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1	6525441	TXROHBQQPYVLFY-OUKQBFOZSA-N	405.479	3.783	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1	6608870	JBQUWVXLBJRGMA-DHRITJCHSA-N	404.470	3.877	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2)cc1	6923408	RYFAIGQCUHVLDT-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@@H](c1ccccc1)C(C#N)=C(N)O3	9059108	KSIBTEOREJTFQZ-HNNXBMFYSA-N	400.463	3.973	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	20760814	GQHIDFNXNLIIEQ-SRZZPIQSSA-N	421.678	3.887	50	40	HHGB	
Cc1ccc(C)c(Sc2ncccc2C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	25517330	JFVFSBZABYKLFI-UHFFFAOYSA-N	422.466	3.833	50	40	HHGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc2cc([N+](=O)[O-])ccc2s1	33764211	FKCNSAYBAMZMRP-FBCYGCLPSA-N	403.803	3.956	50	40	HHGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	40128990	SNBVJVLUKGHXLN-UHFFFAOYSA-N	424.520	3.535	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1	59501726	YDUYAMULLDXHRX-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1ccc(C)cc1	100853720	PUBYFPOPTOMPNB-HXUWFJFHSA-N	412.511	3.717	50	40	HHGB	
O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408681063	DYSCSQPCWOKWTG-AJCKKNKHSA-N	405.075	3.503	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)NCc1ccccc1	408852837	JENWLUQHQYXZOU-GDNBJRDFSA-N	400.276	3.866	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408858631	RARUDLKFNITQPX-KSEXSDGBSA-N	411.845	3.915	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCCC2)c(F)c1	409070440	XOFBDHIKXYXNLI-WSDLNYQXSA-N	420.282	3.718	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)c1cccs1	709762	XNWDEGIRZKNSCU-IBGZPJMESA-N	422.462	3.791	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccc(Cl)cc1	1306205	NZXRWUPBVPELJG-KEBDBYFISA-N	403.895	3.762	50	40	HHGB	
CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(I)c1)C(C#N)=C(N)O2	1438069	WRIJTMXOIYITBO-GFCCVEGCSA-N	420.254	3.530	50	40	HHGB	
Cc1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1C	4508536	UMWPSTIPDWKFMW-MHWRWJLKSA-N	415.287	3.916	50	40	HHGB	
CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc(OC)c3)c21	6564692	MXKNFBFKGCBFRW-GOSISDBHSA-N	418.453	3.711	50	40	HHGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)csc2C1	17087452	ABFBPAAUWNZRBG-QEJZJMRPSA-N	406.548	3.551	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	28214598	BGMIKKOQPSCOCK-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccccc2)cc1OC	28218097	HLYDVBZPRMIQBK-FYJGNVAPSA-N	403.276	3.715	50	40	HHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O	409209409	GSONSORXFCUWIP-DJKKODMXSA-N	409.851	3.595	50	40	HHGB	
NC(=O)CCn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	409392532	QEIPGSQCNNQPHQ-OGLMXYFKSA-N	424.504	3.799	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccccc1	30802996	KHBJPDAWZSUXHN-QFEZKATASA-N	403.438	3.772	50	40	HHGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1O	408543209	NPQPZGIQYLRGCZ-MLPAPPSSSA-N	421.190	3.768	50	40	HHGB	
O=C(N/N=C\c1ccccc1I)c1ccc(-n2cccc2)cc1	408549895	BBLMYYWJXQZGEL-MOSHPQCFSA-N	415.234	3.846	50	40	HHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccccc1	408778005	NZGSRZDMQNWIGX-HAVVHWLPSA-N	415.559	3.983	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1O	408797304	RFXCLNNCNQDRNN-RIYZIHGNSA-N	400.818	3.777	50	40	HHGB	
COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)c1c(Cl)ccc(Cl)c1OC	937897	HOFCQRGFJYPTIK-XFFZJAGNSA-N	421.236	3.622	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c(=O)c2c1C	958264	JPGIKCOINCCCAC-AERZKKPOSA-N	409.298	3.532	50	40	HHGB	
CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	5203792	OVBGTHKDKZCOKI-HNENSFHCSA-N	406.873	3.537	50	40	HHGB	
Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)c1	9261983	KQYOOSFUZJRYPT-MZJWZYIUSA-N	413.481	3.875	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	17647094	DLLDCFNBKJRKHG-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21	101192968	NVSWLTRCHMINOI-MRCUWXFGSA-N	400.482	3.808	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C	2150240	QDUQFNCLLSVNFQ-ZNOIYHFQSA-N	408.292	3.571	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1	4453076	DXLKAVMLDZIRMN-SFHVURJKSA-N	418.453	3.711	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cccc(I)c1	59333768	FXNVGWMCMVGHNQ-DHDCSXOGSA-N	419.266	3.694	50	40	HHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccc(Br)cc21	59383032	OHDZVAQZXRTWPB-UHFFFAOYSA-N	424.707	3.667	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccccc1Cl	101136862	SQKFRZAEOHSRQJ-JXUBOQSCSA-N	421.516	3.766	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408609640	KUIDTKVARDPULJ-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1	409007569	XXBSNEXJMQYEJC-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1	409336765	UPYMSVPCWPJNAO-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	658162	YAIVZXJMLYXJIC-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nnc1-c1ccc(C)cc1	1252189	NKECMVHYIVUGML-OEAKJJBVSA-N	422.558	3.582	50	40	HHGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc([N+](=O)[O-])cc1	4679331	GQCQBJUWHHRCSR-RGVLZGJSSA-N	407.411	3.979	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1	6355258	BDVQZWIBBRBPEJ-QAPCUYQASA-N	413.543	3.558	50	40	HHGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1cccnc1	18093965	PLIZPCYEYZQPHJ-YZSQISJMSA-N	402.454	3.795	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Cl	408531142	NIUSYAHTUPBDRB-PGGKNCGUSA-N	415.799	3.938	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2cc3c(nn2)CCCC3)CC1	575610047	TZKWUUZQSBTMLA-KRWDZBQOSA-N	406.621	3.718	50	40	HHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cc3ccccc3o2)c1	5601498	BKGYPOKOUOQGPB-PXLXIMEGSA-N	413.499	3.617	50	40	HHGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)NCCc1c[nH]c2ccccc12	9849706	SMACVEMOYPPOEI-XMHGGMMESA-N	424.460	3.923	50	40	HHGB	
CCCOc1ccc2nc(OC)c(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2c1	36611917	YWCURUDKLCTGCD-ZVHZXABRSA-N	423.469	3.813	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59332971	WADLCJAHXVSTCX-GDNBJRDFSA-N	402.281	3.955	50	40	HHGB	
CC1=C(C#N)C(=O)N(c2cccc(C)c2)C(=O)/C1=N/Nc1ccc(Br)cc1	100953107	SFJGIOLFQJXGKC-HKOYGPOVSA-N	423.270	3.939	50	40	HHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(C(C)C)cc2)C(C)C)cc1	408764104	LFNQMORDTJGOPT-VSIOZEBNSA-N	415.559	3.572	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(C(=O)O)c1	409196048	YKLXRHUYEHWUQE-ODLFYWEKSA-N	420.465	3.938	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1	5127881	CLLFPXDEZATDEN-UTOORKDTSA-N	422.525	3.866	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc(O)cc1	8993397	GVNUTYAAGSKFLH-STZFKDTASA-N	412.449	3.621	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(OC)c(OC)c1	9289506	IWWHUYYQTZHAIV-CIAFOILYSA-N	421.291	3.558	50	40	HHGB	
Cc1ccc(C(=O)c2cc3c(cc2NC(=O)[C@H](C)Br)OCCO3)cc1	9584581	MKLIFYYXSQYXIH-LBPRGKRZSA-N	404.260	3.719	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	16758955	PSPXEZRZSLOKJS-XUMLYMLNSA-N	415.877	3.651	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1	20197225	ZHLIWRVGLYJWKZ-VXLYETTFSA-N	422.235	3.616	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	59101643	RRKYQCJHBUBJKE-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1	408567322	LNJPPFTXIQSYOB-XKZIYDEJSA-N	420.381	3.846	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408611628	RFTNJASZLNOUNW-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1C	408888087	WRFJOKWHAOBELA-UFFVCSGVSA-N	406.280	3.737	50	40	HHGB	
CCC[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)c(OC)c1	2674526	JRDXIGLXSKWUJS-KKJJZKEWSA-N	421.291	3.861	50	40	HHGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cccc(Br)c2)cc1	30755666	XWBBNYRSUBJLSB-LZAZYHHXSA-N	405.292	3.812	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21	46085187	TWDQWIWNRZEWHU-PNHLSOANSA-N	413.477	3.565	50	40	HHGB	
O=C(NCc1ccco1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914426	IUJRCOLTDVXIRY-YVNNLAQVSA-N	406.225	3.613	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1	102065924	UBDNOFUWNUJFRJ-WYUUTHIRSA-N	421.516	3.766	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1	408794958	KPSJAVNBSWIAEO-SFQUDFHCSA-N	416.389	3.977	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409379833	ZXPULQVRAOSGJQ-ZVHZXABRSA-N	410.474	3.546	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3oc4ccccc4c(=O)c32)c(OCC)c1	1073917	HHWLEOINYXEQDX-IBGZPJMESA-N	404.422	3.809	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC	3435794	YFWWFLPRJSERTJ-UHFFFAOYSA-N	407.470	3.576	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	105054379	CLBGYQMMDNGAFT-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408745846	VYIBYQIMEBNPNB-UVTDQMKNSA-N	415.243	3.547	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408755502	OBRVXEHEFKMSFU-MHWRWJLKSA-N	403.398	3.582	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSc2ncccn2)ccc1OCc1ccccc1	408837574	IZSIMPRBSRQGAH-AFUMVMLFSA-N	422.510	3.697	50	40	HHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1cccc(C(=O)O)c1	409094400	DZQWITVCHMPLRF-MYYYXRDXSA-N	413.433	3.858	50	40	HHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1cccc(Br)c1	946779	JMZZTUZFRZDZHZ-NHDPSOOVSA-N	403.305	3.958	50	40	HHGB	
O=C(N/N=C/c1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	6146865	VMGJUCHSMQOZGY-SRZZPIQSSA-N	421.450	3.591	50	40	HHGB	
CCCN1CC=C2[C@@H](C1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)C2(C#N)C#N	36042398	ARRIRAODOMDOOX-IEBWSBKVSA-N	422.330	3.584	50	40	HHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4C)c32)cc1	36618854	UJJUYFIOHUZSAX-SFHVURJKSA-N	400.438	3.698	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(F)F	44028685	FXZYGVCTHQBPDW-WLRTZDKTSA-N	403.337	3.824	50	40	HHGB	
COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCBr)cc1	101053904	BRSSUPSDHBPOFY-HVESIFNPSA-N	416.271	3.512	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1c[nH]nc1-c1ccc(F)cc1	717413	GKUJGEJKDIGMCJ-KRWDZBQOSA-N	416.391	3.963	50	40	HHGB	
COc1ccc2c(c1)c(C(=O)N/N=C/c1cc(Br)ccc1O)c(C)n2C	2218581	YAAUYXJIBYCKLW-UFFVCSGVSA-N	416.275	3.727	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccc(C)cc2)c2ccccc12	5007420	OBHLGTUWZJRZBR-XDJHFCHBSA-N	403.482	3.698	50	40	HHGB	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cc(Br)ccc1OC(F)F	25328975	JTCFCQMXTVTOIC-HNNXBMFYSA-N	413.218	3.982	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	59334295	WIWHFFTXPVPOKP-PXNMLYILSA-N	414.845	3.621	50	40	HHGB	
Cc1ccc(C)n1-c1cccc(C(=O)NNC(=S)NCCCc2ccccc2)c1	408588812	ZERDPTGNNKIIEV-UHFFFAOYSA-N	406.555	3.836	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1O	408783347	KLAXMPXPNRJXGP-CVKSISIWSA-N	415.493	3.723	50	40	HHGB	
Cc1ccc(S[C@@H](C)C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1	409128810	IXMFLVKAXGVCDM-NSHDSACASA-N	418.316	3.711	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1	409359334	BLIDJFZFOUITEL-YDZHTSKRSA-N	421.409	3.627	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(I)c1	409360227	DKSFRTHYSOMSAW-DJKKODMXSA-N	413.646	3.507	50	40	HHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	1055748	NXLMBYWBTRUIEE-AFUMVMLFSA-N	406.413	3.882	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	3266641	VRWBDQJWQCCNIW-MFKUBSTISA-N	420.465	3.812	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc4ccccc34)CC2=O)cc1	6962990	DOAMNCLHRNBTAA-QVWJKXSPSA-N	401.466	3.742	50	40	HHGB	
CC(C)c1ccc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1	31783429	RILQWMWGUSJFRJ-MYKKPKGFSA-N	408.527	3.611	50	40	HHGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1NC(=O)c1cccs1	32907416	SJPMLACRNPPUCK-UHFFFAOYSA-N	413.886	3.658	50	40	HHGB	
COc1cc(C(=O)N/N=C/c2ccccc2Cl)ccc1I	408746705	FXDXSNMVDLPWRL-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1ccccc1F	408878259	ZBEVINRXLKDOEC-VGOFMYFVSA-N	403.251	3.970	50	40	HHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccc(Br)c1)c1ccccc1	408977994	GOUBTJQOKZDMDP-RSZPVBOMSA-N	418.291	3.777	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(C(N)=O)cc1	409243296	ROMINYMAQWZOOJ-VVRYKASASA-N	412.493	3.977	50	40	HHGB	
COC(=O)[C@@H](NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1	2756062	XKDDRRMDHNLTNC-SFHVURJKSA-N	411.285	3.688	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)c1	408829452	XFETTYHMCNARLT-NTUHNPAUSA-N	402.834	3.920	50	40	HHGB	
CC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	409027721	PUARANJCJGGORV-UHFFFAOYSA-N	414.314	3.701	50	40	HHGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1)OCO2	409099499	NUFXUXUKCIRJAA-LFYBBSHMSA-N	401.216	3.732	50	40	HHGB	
CN1C(=O)/C(=N/NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc21	409332987	SZVFCROJGWWFPX-OQKWZONESA-N	408.310	3.724	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OC(=O)C1CC1	938882	VWRKYLJQGFEWGG-SSDVNMTOSA-N	418.902	3.906	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)cc1	3340256	UZLWLKXPFQYYCK-ZVHZXABRSA-N	405.454	3.740	50	40	HHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	4106957	ZZBSCPUFAKVJCA-OPEKNORGSA-N	417.387	3.987	50	40	HHGB	
Cn1nc(C(F)(F)F)c(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl	4587369	UMTHCJNONVRCSY-GZIVZEMBSA-N	403.836	3.694	50	40	HHGB	
CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccc(OC)cc1	4849292	LFCWZFMZXZHDBV-UHFFFAOYSA-N	409.511	3.668	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1	8971963	DDQZMSFBPKZOGA-IBGZPJMESA-N	422.506	3.901	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc(I)ccc2O)c(Cl)c1	9190634	CPCGOPLJZLEFQJ-QGMBQPNBSA-N	414.630	3.723	50	40	HHGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc(I)cc1	10118580	IYSJJNQHWOGVDM-YBFXNURJSA-N	408.239	3.842	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c1	33828347	APCHJQWUJYQRCE-FSJBWODESA-N	408.410	3.734	50	40	HHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)ccc1OC)c1ccccc1	408978745	JRRMRPPMZXQGEE-KOWBDXASSA-N	403.866	3.676	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1	409265312	SDEJJFPMBYGDGM-FCUAXUHVSA-N	419.403	3.607	50	40	HHGB	
O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccncc1	4785832	TYKLNMTXOUWZTA-VYIQYICTSA-N	406.445	3.916	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(OC)cc3)c2)cc1	4863540	NWAMZFGNOHFNQJ-FEZYOMQXSA-N	402.454	3.914	50	40	HHGB	
COc1ccc2nc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc2c1	5081761	OVZQPDCTBLERMQ-BUVRLJJBSA-N	414.506	3.779	50	40	HHGB	
CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSCc1ccccc1Br	5332803	GCUPIZSUQSNITH-FDXCNZBMSA-N	413.337	3.518	50	40	HHGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)c(Br)c(Br)c1O	9112978	SOIGJHOJYSRLGV-OMCISZLKSA-N	424.089	3.784	50	40	HHGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1	9562827	BQGBHTNCXJAOAN-OBGWFSINSA-N	421.501	3.744	50	40	HHGB	
O=C(CSc1ccc(Br)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	15900454	GFIWOVIAXVMVCZ-UHFFFAOYSA-N	423.376	3.905	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccccc1	59197489	XCEKCUCGMPKCHH-WSDLNYQXSA-N	416.275	3.791	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1OC	83315919	LEUUGIVLAGCOJV-QFEZKATASA-N	401.466	3.988	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	83321473	GCOBKYJQRDSCPB-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c[nH]c2ccc(Br)cc12	105734210	ZCVKOIMOCFHFOA-JMIUGGIZSA-N	401.220	3.531	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408986620	ROSHRWUPGJZDNJ-LDADJPATSA-N	408.454	3.881	50	40	HHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1	409218242	ZOCVXQVMHFNWBA-MYYYXRDXSA-N	415.449	3.554	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)C(C#N)=C(N)O1	931604	ZLVWPXVOMNSVSK-IBGZPJMESA-N	407.470	3.570	50	40	HHGB	
N#CC(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)=C1Nc2ccccc2N1	3358168	FRQWQMQKCDIXSK-UHFFFAOYSA-N	413.433	3.849	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1Br	4410094	GEQDIBSIMLOHTM-LPYMAVHISA-N	418.291	3.901	50	40	HHGB	
Nc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1	6830915	FVYBAXVQODJCJR-LKUDQCMESA-N	404.857	3.603	50	40	HHGB	
CCOC(=O)Cc1csc(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)n1	23642074	KIQPSJHZWBLOJB-SFQUDFHCSA-N	417.537	3.863	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	33575733	MLBDYHVXFAQPOL-CIAFOILYSA-N	409.423	3.594	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OC(C)=O	408766207	PQSFAYAJXIRQGD-ZSOIEALJSA-N	415.243	3.929	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3O)c2C)c(C#N)c1C	409141465	OELATTMPIJQLID-AUEPDCJTSA-N	421.413	3.553	50	40	HHGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/C1=Cc2ccccc2OC1	2397053	KPAXCXQCALLSAT-RASHHNMQSA-N	421.497	3.700	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	4994055	VJYSVVQLWSTOOD-LFIBNONCSA-N	402.292	3.526	50	40	HHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@H]32)c2ccccc21	19853163	CCDUURLODCSMBE-ZCWUUALQSA-N	411.509	3.683	50	40	HHGB	
CNc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]	44028641	IMXNKLMQXBFIIW-XYOKQWHBSA-N	401.220	3.945	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59249607	OMCSQUITGLCRAA-FOKLQQMPSA-N	411.845	3.915	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-]	408783141	KNMZNHVAJNKAKK-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc([N+](=O)[O-])cc1	408966568	MFUVDLHTTIGATQ-MSXFZWOLSA-N	405.389	3.777	50	40	HHGB	
COC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	1114046	PEVXRVLJKYZRKF-RIYZIHGNSA-N	417.215	3.973	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(Cl)cc1	2272858	IVJWELVFPHFDIR-SRZZPIQSSA-N	415.906	3.566	50	40	HHGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1I	9404126	RFDUIMYANNYJGK-XFXZXTDPSA-N	419.178	3.745	50	40	HHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Br	59435811	AYLFDIQPDBUJLY-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
N#CC1=C(SCC(=O)NC2CC2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	100921012	FSOLOGDQLBKTOZ-IBGZPJMESA-N	413.930	3.781	50	40	HHGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)o1	408959678	CZJJEYBZQNWPQX-CFRMEGHHSA-N	421.453	3.548	50	40	HHGB	
Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	409204441	GOUUAFUKGYDDBM-GFCAVMEOSA-N	406.482	3.655	50	40	HHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	409205556	PJFNKEZMFIOADS-DSXONILISA-N	404.514	3.616	50	40	HHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(I)cc1	2772975	LIHQNPRIWZMPRN-KPKJPENVSA-N	418.190	3.566	50	40	HHGB	
N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	4944751	CYBKZIRHFSUAJV-HSZRJFAPSA-N	416.868	3.751	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1	5175962	QPKUIEAHWXZEHA-ZMOGYAJESA-N	401.422	3.740	50	40	HHGB	
Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCC(C)C)c3ccccc32)cc1	5245371	KKUYNIZQRQBVPT-MRCUWXFGSA-N	400.482	3.582	50	40	HHGB	
Cc1ccc(C)c(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	5362743	QMZAQLBYTQYLSQ-ZVHZXABRSA-N	409.490	3.764	50	40	HHGB	
Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2ccc(Br)cc2)c1C	13424221	RPIQIXXMTXNPMJ-UZYVYHOESA-N	418.316	3.847	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC	20197935	SQPVOFNIGNTBPN-OEAKJJBVSA-N	400.862	3.913	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58882733	BHEBAXHBEJOQIQ-MYYYXRDXSA-N	405.429	3.536	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2	96113945	FJYNDFKPTXAGDQ-YOEHRIQHSA-N	419.572	3.896	50	40	HHGB	biogenic
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1I	208352461	IBFYUYHNSVLFDY-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1nc2ccc(F)cc2[nH]1	408570193	SQQLLTZBBUADMA-WZUFQYTHSA-N	416.206	3.992	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NC[C@H]1CCCO1	408734070	CUAOVAZAJZIZLN-XETPBLJFSA-N	401.806	3.710	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(Br)o1	408853323	RCCKSCPPKXVWQE-REZTVBANSA-N	416.069	3.886	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OC	408876870	OMXWVAWPNNVMFO-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(O)c1	409389850	AUJVKJAIDWQNFP-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
O=C(N/N=C/c1cccc(O)c1)C1CCN(Cc2ccc(Br)cc2)CC1	1086832	PNIVZDMZRJEZAH-LPYMAVHISA-N	416.319	3.517	50	40	HHGB	
N#CC(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)=C1Nc2ccccc2N1	3271597	YXWLVLWSYGKZOK-UHFFFAOYSA-N	402.237	3.921	50	40	HHGB	
CN(C)C(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	59335002	XVSOVBXCNBJRKX-PTNGSMBKSA-N	406.873	3.929	50	40	HHGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)c1C	96669473	QEXUPUHKOMBNJG-NVNXTCNLSA-N	412.442	3.624	50	40	HHGB	
COc1cccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1OC	408568464	JJDPNRZEKCECED-CIAFOILYSA-N	418.540	3.712	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccccc1Cl	4156948	SQKFRZAEOHSRQJ-UTINFBMNSA-N	421.516	3.766	50	40	HHGB	
O=C(CCC(=O)NC1CCCCC1)N/N=C/c1ccc(OCc2ccccc2)cc1	4416313	ROGKPMLJZHSQCE-KOEQRZSOSA-N	407.514	3.945	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	5513664	MLKRNUIKMKJOEL-PCLIKHOPSA-N	404.466	3.976	50	40	HHGB	
Cc1ccccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)CC1=O	7881485	PDLWIMNNOWRZNL-VQIMIIECSA-N	417.864	3.911	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccc(-n3ccnc3[P@](=O)(O)c3ccccc3)cc2)cc1	8687130	YPMIHMYSNCPHAO-UHFFFAOYSA-N	417.405	3.654	50	40	HHGB	
O=C(N/N=C/c1cc(Br)cs1)C(O)(c1ccccc1)c1ccccc1	9908269	FTSDKHLIOOSHAC-CIAFOILYSA-N	415.312	3.897	50	40	HHGB	
C[C@@H](C(=O)N/N=C\C=C\c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3	16711870	MLMGNCLXRIWOEC-BODDPFDVSA-N	406.511	3.713	50	40	HHGB	
Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3cccc(Cl)c3)c2C)cs1	29240005	ZSISRRSCBBDLGF-UHFFFAOYSA-N	402.907	3.651	50	40	HHGB	
Cc1occc1C(=O)NNC(=O)c1ccc(COc2ccc(Br)cc2)o1	40140400	DEXXLUFCDLBNTN-UHFFFAOYSA-N	419.231	3.597	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc2cccnc12	408752962	DPOBDWNVVCKITQ-SSDVNMTOSA-N	414.259	3.535	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2O)cc1	408797368	RKSIRRHEGGJUDG-QGOAFFKASA-N	407.470	3.961	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1	1421661	ARLFXQABKDGNCA-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
CCc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	3170703	NWDKCFBONZGDST-JJIBRWJFSA-N	421.522	3.595	50	40	HHGB	
C=C1C(=O)O[C@H]2C[C@H](C)[C@H]3C[C@H](OCCCl)O[C@H](OCCCl)[C@]3(C)C[C@@H]12	5430576	NDKJHGDTMFXEHV-AVSKYNMMSA-N	407.334	3.720	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1	6355278	BDVQZWIBBRBPEJ-CRAIPNDOSA-N	413.543	3.558	50	40	HHGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccc(Cl)cc1Cl	13773647	YHCXFQISMJMZBC-AQHIEDMUSA-N	403.269	3.663	50	40	HHGB	
COc1ccc2cc([C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc2c1	14245197	RCBAXGUBGVRWMS-HUUCEWRRSA-N	410.445	3.706	50	40	HHGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)c1	36618842	VGXMZPAXRVPNFV-KRWDZBQOSA-N	408.845	3.965	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1F	40006566	XKEVFFWIBNSGIJ-MVDPLZLPSA-N	410.445	3.615	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)[C@@H](Oc2ccccc2Br)C(C)C)c(C)o1	40140330	LUMVDCBCEAHWPT-INIZCTEOSA-N	409.280	3.524	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	58913332	IDCBLOBVRWQHEF-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1O	408815571	JUMYLZDVKJTKJP-AZZDOICSSA-N	401.260	3.948	50	40	HHGB	
O=C(NNc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1Cl	2329312	OAOLJMMUWHHMFK-UHFFFAOYSA-N	413.268	3.938	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)C1	4473852	KEWQRFGHPIAGLB-QWHCGFSZSA-N	406.891	3.763	50	40	HHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@@H]1c1ccccc1	20347868	VLACVFGPGONBLX-FQEVSTJZSA-N	412.511	3.798	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	79474752	CWHSIKNPHGRTJU-QGZVFWFLSA-N	408.589	3.774	50	40	HHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC	408812431	NASFDZYWLHBULL-XNTDXEJSSA-N	417.303	3.826	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408933870	ASYWZWPADNKRLW-ZOCVZFIWSA-N	409.317	3.766	50	40	HHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1	409310966	XNSHIKBQSRKWBJ-LJQANCHMSA-N	422.506	3.933	50	40	HHGB	
COc1cccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1	4575352	JBQXLICHFBSING-UHFFFAOYSA-N	400.818	3.595	50	40	HHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/n2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)cc1	5504033	HLCWREVIEUFLOW-GXDHUFHOSA-N	400.441	3.711	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c1	6199224	NAQBOBHMWSGCOK-ZMOGYAJESA-N	406.486	3.847	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)c(OC)c2)cc1OC	6679110	VAKKTMAKDXDUEC-JYRVWZFOSA-N	404.369	3.859	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)cc1	6964264	YPTTZIYGJMIMQS-FSJBWODESA-N	423.542	3.752	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC	15475531	SQMCAKGSNQNADU-LBPRGKRZSA-N	408.907	3.689	50	40	HHGB	
COc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	20026675	XSZWZHNZXCTNLV-VWNXMTODSA-N	423.520	3.982	50	40	HHGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1	33591114	ROLWFWOIBITBQF-PTNGSMBKSA-N	402.366	3.629	50	40	HHGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1)c1ccc2c(c1)OCO2	35405537	MEPHEMZLLGWXEP-YVNNLAQVSA-N	412.785	3.645	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)c(OC)c1	58871968	JESXEKQTNOWNKF-AFUMVMLFSA-N	401.466	3.988	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	59334285	GZQPBYIPMSLLRR-NVNXTCNLSA-N	415.833	3.831	50	40	HHGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccc(C(F)(F)F)c4)[C@H]3[C@H]1CC2	102436612	XUFJORXVCDBGLG-AXUOBQJMSA-N	409.415	3.592	50	40	HHGB	
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21	118917755	CLHOQFOFZHJBHD-RGOIEMAQSA-N	424.965	3.677	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1	1052340	QWLLQJQNUUDXPY-KOEQRZSOSA-N	410.481	3.764	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)OC)c3ccccc23)cc1	5007026	RCKNXMTVKGCLCY-VBKFSLOCSA-N	403.438	3.759	50	40	HHGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1c(O)ccc2ccccc12	5577363	OVXCEHQVPXMOAO-QIUBQZRRSA-N	419.525	3.717	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	58882896	URUNNDZILIJTFH-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2cccc(C)c2C)cc(OC)c1OCC(=O)O	408853438	SIUCNKWYXXEJPD-FMCGGJTJSA-N	411.458	3.660	50	40	HHGB	
Cc1nc(Sc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])n[nH]1	409192530	CHWSXWDETOYNHK-JMIUGGIZSA-N	422.426	3.683	50	40	HHGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	409314097	KEIKHKGGZVOBPF-GOSISDBHSA-N	423.563	3.797	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)c1	409360731	FQOQPGAJTDHCLN-WYMPLXKRSA-N	411.845	3.949	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)c(C)c1	1254574	YPSQXYPLCZTDKM-MRXNPFEDSA-N	408.527	3.930	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	2441280	FPLZWYWYEGXMDB-OAQYLSRUSA-N	417.440	3.571	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC	3162605	RFHFAVKBMSKYPO-FSJBWODESA-N	400.475	3.673	50	40	HHGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	4402168	QHWHXRICKBZPTR-WSDLNYQXSA-N	402.838	3.945	50	40	HHGB	
Cc1cccc(-n2ncc3c(NNC(=O)Cc4cccc5ccccc45)ncnc32)c1	7393214	RCJIGQQTGFDRND-UHFFFAOYSA-N	408.465	3.963	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2ccc(C)cc2C)ccc1OCc1c(C)noc1C	23080913	IKVPUXTWYWLCMU-UHFFFAOYSA-N	423.469	3.571	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c2ccccc12	408914379	WNJKIBZBYAQVKJ-NSRYLYFRSA-N	419.481	3.656	50	40	HHGB	
O=C(N/N=C/c1cccc2ccccc12)C1CCN(C(=O)c2ccc(F)cc2)CC1	409004093	AKVYZGNUDFNREV-WGOQTCKBSA-N	403.457	3.981	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1C	409371274	GVSKWAGGXIXKRP-XSFVSMFZSA-N	403.482	3.850	50	40	HHGB	
N#CC1=CN(c2ccc(I)cc2)c2ccccc2S1(=O)=O	38487992	NQARPMBQQLTDJF-UHFFFAOYSA-N	408.220	3.582	50	40	HHGB	
COC(=O)c1ccccc1N/C(SC)=C(/C#N)C(=O)NCc1ccc(Cl)cc1	67172703	FIKNQZGPMMVEPT-KNTRCKAVSA-N	415.902	3.953	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OC	408726589	CFFXUWNFJVEOTK-CIAFOILYSA-N	421.291	3.558	50	40	HHGB	
O=C(N/N=C/c1ccccc1F)C1CCN(Cc2ccc(Br)cc2)CC1	5636502	FGJNNKYGEOVEOF-YDZHTSKRSA-N	418.310	3.951	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H]2CN(Cc3ccccc3)CC=C12	22172255	MXCNQLUGHKUFQM-GGAORHGYSA-N	409.468	3.751	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(F)cc3)cc2)cc1	58883054	VYIUEOJAXOTBCQ-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc2ccccc12	59475522	RHXVFZBXHRGVSM-KEBDBYFISA-N	414.215	3.980	50	40	HHGB	
COc1cc(Cl)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC	408533259	RTNVVKUFUBAJHS-PGGKNCGUSA-N	415.799	3.938	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1[N+](=O)[O-]	408567702	GDLXWRAEPDVQCW-RGVLZGJSSA-N	417.512	3.911	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1	408743666	UCLMCPBYFDKPFI-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc2c(cc1Br)OCO2	856136	SOMLRDJDBRAAJT-INIZCTEOSA-N	417.259	3.629	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OC(=O)c1ccccc1F	8826332	PFOYHPVIWSCEKE-VULFUBBASA-N	421.428	3.616	50	40	HHGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C[C@@H](C)c1ccccc1	12816257	IDFGPLUJBDXVCS-KGLIPLIRSA-N	405.292	3.558	50	40	HHGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccccn1	96399142	QJXPHZJIBXKXKG-ULJHMMPZSA-N	422.510	3.653	50	40	HHGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=N)c2ccccc21	100821801	NBNKVJDOUVBBGP-DOXIRFOWSA-N	405.502	3.956	50	40	HHGB	
COc1ccc(-c2ccc(C(=O)n3cc(C(=O)NN)c4ccccc43)o2)cc1Cl	226764967	OMPCXPNJYHQNSA-UHFFFAOYSA-N	409.829	3.855	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCCC2)c(F)c1	409106931	PZXHHFUQQABYSF-WSDLNYQXSA-N	420.282	3.961	50	40	HHGB	
COc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC	941539	SDLQOFOASGLIDU-DHJSAQKKSA-N	420.465	3.754	50	40	HHGB	
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CCC2	1422425	FKAPRCAZKBUJOE-DEOSSOPVSA-N	414.440	3.545	50	40	HHGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)c1	2312498	LBADNURJUJGEKS-BHGWPJFGSA-N	413.840	3.891	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C)cc2)c(OC)c1	27563575	UORHPGMRTMIKOV-JNYZPFSCSA-N	402.450	3.832	50	40	HHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	28215261	PHYSMUCMISQPDN-AFUMVMLFSA-N	405.429	3.916	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1	31783300	GNZBZNOVNVYTBI-GUSUNEKCSA-N	408.527	3.603	50	40	HHGB	
COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	59473439	CJKYGKBHYRPGSY-SRRANQMSSA-N	406.891	3.523	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc(OC)c1OC	59473728	VRPYYTYZSAYESA-UFFVCSGVSA-N	408.907	3.749	50	40	HHGB	
O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408528938	XVUKWNCMLHYWFQ-OEAKJJBVSA-N	405.410	3.703	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1	408882734	NSMITMGDMQEXEX-AUEPDCJTSA-N	409.317	3.623	50	40	HHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(OC)c2)cc1	409001097	GSPBOPJBPXVQGJ-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1	409214955	VKYLOKFTZQMTBV-SRZZPIQSSA-N	406.891	3.524	50	40	HHGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cc2ccccc2oc1=O)c1ccccc1	727523	SCRUXMLSMJNPJE-MFKUBSTISA-N	412.401	3.776	50	40	HHGB	
O=C(CSCc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2	829277	ROXKKEZFYPCNHN-UFWORHAWSA-N	407.289	3.561	50	40	HHGB	
N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(N2CCOCC2)cc1	2636882	JBTSTTDNGVDXNR-PKNBQFBNSA-N	423.341	3.764	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1	3096765	POENMACIQIUNEX-LPYMAVHISA-N	403.324	3.858	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)cc1	4539949	CYBSKIUZKKAIHS-ZNCVUUBVSA-N	405.523	3.784	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1	8372140	YFLFVYQPKVBCHN-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
O=C(COc1ccc(Cl)cc1-c1cnoc1)N/N=C/c1coc2ccccc2c1=O	8411675	XSFKESGIBSJRSY-LIMNOBDPSA-N	423.812	3.631	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)n1	9517203	GIQCYYRMVHFKFE-UHFFFAOYSA-N	419.876	3.751	50	40	HHGB	
CCCCN1C(=O)/C(=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	13583971	UPDIYYIHVRJMHM-SLEBQGDGSA-N	400.482	3.919	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(C#N)cc1	409197559	IRJBEYCBWBJVEU-MGZHSMRGSA-N	424.460	3.903	50	40	HHGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)c1	409224201	IXOGXLGDDRMJPR-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)NCc1nnc2n1C[C@H](C(F)(F)F)CC2	575617340	SMJGSLGGBZYFOB-VXGBXAGGSA-N	408.515	3.733	50	40	HHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1	1026283	QRJUOHPYKQJKRH-LJQANCHMSA-N	420.856	3.839	50	40	HHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cn2ccc3ccccc3c2n1	1277389	ADJCSAYBFQTHKK-UFFVCSGVSA-N	409.243	3.720	50	40	HHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2)cc1	3147100	AJTCDWAWKZMUHP-QPFIVIFOSA-N	412.493	3.674	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OCC)c1	4512499	RQBLDZNVFSHZOG-SFQUDFHCSA-N	415.467	3.632	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1	4779746	NSYNJJPBCNGJCQ-GOYKBQHESA-N	403.438	3.769	50	40	HHGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1	6155720	XWBBNYRSUBJLSB-KOMLCTQHSA-N	405.292	3.812	50	40	HHGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccco1	6490559	VTRLVKOTHQXTBY-SFQUDFHCSA-N	409.419	3.846	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)c(O)cc1O	8842914	FXIPMWLEWIJWFB-ODCIPOBUSA-N	417.181	3.572	50	40	HHGB	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	15227075	HNUXELNNKJGIJH-DHDCSXOGSA-N	410.271	3.902	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1	58913376	DLSPAZDPSLBOSO-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	58913430	TTWTVQFRVQPDMW-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(=O)n1C	73242070	RMPJGFBVJTXLRV-UHFFFAOYSA-N	415.433	3.598	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C	103089545	BVTDYGHHFBISAJ-SQFISAMPSA-N	424.917	3.709	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)cc2)N2C(=N1)SC(C#N)=C2N	408605829	NEVRRFXJTLGXQX-SFHVURJKSA-N	412.515	3.813	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2OCc2ccccc2)n1	32107185	OYCMYEIHTNNMPM-QRVIBDJDSA-N	406.511	3.915	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	37073934	JSFDENMLQYFLML-XTTRTJGBSA-N	409.851	3.593	50	40	HHGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2)cc1	58882909	XXVMYHBUABOGGB-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1cc(Cl)ccc1Cl	58912529	RJOGPIMAHOHPBI-FSJBWODESA-N	421.328	3.864	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Cl	58914552	HKMCOGYGRIVQTE-NHDPSOOVSA-N	412.789	3.597	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(N2CCCCC2)o1)C(=O)NCc1ccco1	408861365	QZCVWZHTRKEUMN-LCYFTJDESA-N	404.264	3.849	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409195604	RCEWUFFGJYFKHS-GQBLCDNYSA-N	401.426	3.760	50	40	HHGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(Cl)cc1	3168470	DACRVBYBTQKYFZ-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br	4966245	OZZLUWYYCPJKIU-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1	6727951	DQONBHUMTKVYKI-SFHVURJKSA-N	408.479	3.659	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(CC(=O)OCC)c3ccccc23)cc1	20197546	ASORBHCGUUYVKR-ZVHZXABRSA-N	407.470	3.757	50	40	HHGB	
C[C@@]1(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)NC2(CCCCC2)Cc2ccccc21	408734031	DKFYYMDQKSBUCI-ZHNJOBQTSA-N	406.486	3.809	50	40	HHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408818435	WUWODZBLCWRTQO-JVVDXDAESA-N	402.086	3.739	50	40	HHGB	
COc1ccc(Br)c(/C=N/NC(=O)c2ccc(Br)cc2)c1	1054414	FDQVCBAOZIRJRY-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	1105626	OYFMGRVEIWYALO-AUEPDCJTSA-N	400.341	3.695	50	40	HHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2)cc1	3170581	LBJZNNHNKIBBME-OEAKJJBVSA-N	405.410	3.703	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1	7062395	RXONKJHNJGOIDH-MZJWZYIUSA-N	414.444	3.636	50	40	HHGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NCc1ccccc1	15012613	DWCCERJGJKUWIS-MKMNVTDBSA-N	405.237	3.680	50	40	HHGB	
O=C(NNC(=O)c1ccc(O)cc1F)c1ccc(COc2ccc(Cl)cc2)cc1	95465111	WIWXCZSAJVVUJP-UHFFFAOYSA-N	414.820	3.839	50	40	HHGB	
CC(C)c1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6263175	JSEKNZVXEHVFRL-LFYBBSHMSA-N	401.919	3.812	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1	12275425	SZEQYJIJDDKFIU-GCJKJVERSA-N	410.470	3.868	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1	107593021	AXOLRAJPKKKOIP-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408609929	MCNCOFXBYBSMPH-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	408761859	MAAQGHJEZGCWKU-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408764824	NIMLFOITXPPNER-RXEWJAMOSA-N	423.270	3.876	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1O	408848259	VGZRAADXQJCMQE-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	409135554	ZDCARODXKOCVGB-INIZCTEOSA-N	419.275	3.671	50	40	HHGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O	409149066	WRGFAIAENVNCIJ-XQNSMLJCSA-N	423.494	3.639	50	40	HHGB	
Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	409204443	GOUUAFUKGYDDBM-QDUHJBTASA-N	406.482	3.655	50	40	HHGB	
CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1	4677720	OMKQZYVTKJWWOW-HYARGMPZSA-N	407.430	3.928	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812378	LDCWYIOCCMKDJW-SRZZPIQSSA-N	407.239	3.926	50	40	HHGB	
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1	8878418	XTEMHMHVJONEHX-NHCUHLMSSA-N	420.490	3.507	50	40	HHGB	
Cn1cc(Br)cc1C(=O)NNC(=O)c1sccc1-c1ccccc1	16271193	CIRGMYILNPTSLN-UHFFFAOYSA-N	404.289	3.591	50	40	HHGB	
CCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)OC(CCl)CCl)[C@H]3C=C[C@H]2C3)cc1	102846092	AOFIFAFZYGLVDH-UHIXZJCNSA-N	412.313	3.852	50	40	HHGB	
CCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)OC(CCl)CCl)[C@H]3C=C[C@H]2C3)cc1	102846094	AOFIFAFZYGLVDH-LUVWLHFXSA-N	412.313	3.852	50	40	HHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1	408730521	HFBWWKLUTBBGGH-UDWIEESQSA-N	407.927	3.793	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2)c1	409003960	WAQARVQLEZVCBG-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(=O)N1CCCC1	12519933	RNZHCVKAXDVAGU-QGOAFFKASA-N	416.481	3.647	50	40	HHGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Br)cc1	13595752	QLJLQXBOZIJSCG-CIAFOILYSA-N	405.679	3.807	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSCc2cccc(Br)c2)c1	20248848	CYWVAWQYYVWWOK-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
O=C(N/N=C\c1ccc(Br)s1)C(O)(c1ccccc1)c1ccccc1	33286237	BHBVFUDOPCRBMW-BKUYFWCQSA-N	415.312	3.897	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	59104627	QGNHJDJJEPEDAN-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1Cc1cccc(F)c1	408865484	AWICKQBOMAPZBV-MKMNVTDBSA-N	403.251	3.970	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)O	409009460	ACPHYYNXEBETEC-LUKZVCJISA-N	411.241	3.618	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409249479	IQPCTYQBENWYOZ-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	5321726	SCVGICWTPLDHGU-HNENSFHCSA-N	406.873	3.681	50	40	HHGB	
O=C(NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1	6517036	DVOROTQWLWSSHW-UHFFFAOYSA-N	402.479	3.930	50	40	HHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)n1	8411264	ICTXWNDHSVNHIR-INIZCTEOSA-N	420.523	3.865	50	40	HHGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3ccccc32)C1	20100800	ZEZDYPHDOCBMOF-PFVANWKLSA-N	420.513	3.618	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218154	UTZJQWGPAMHKJD-AFUMVMLFSA-N	416.868	3.862	50	40	HHGB	
CCCOc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1OCC	59515931	HMFHYTWZDUGAGC-HAHDFKILSA-N	400.475	3.584	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Cl)cc4Cl)[C@@H]13)[C@H]2Br	102631452	UQSQLEDRQPHCSK-ZNOWBECESA-N	405.075	3.503	50	40	HHGB	
O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3F)c3ccccc32)o1	408543076	ORIDYNMVDFJEOG-BHGWPJFGSA-N	405.385	3.884	50	40	HHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2c(O)ccc3ccccc23)CC1	409005721	KGJAQTQGZNBQFB-WGOQTCKBSA-N	415.493	3.856	50	40	HHGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)cc1	409063308	KGLNHSSRXCBTOD-XDJHFCHBSA-N	408.454	3.669	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2=O)cc1	409155553	JCTKJDIVWMYEBZ-BMYBCIMUSA-N	420.296	3.895	50	40	HHGB	
COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)cc1OC	818314	RRPBAQZENPMIKE-KRWDZBQOSA-N	401.875	3.657	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OC	408566033	CYSDFEGBPZPGJK-SRZZPIQSSA-N	405.292	3.776	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O	408908979	ZQFOEZIWEBGBGB-KIJZHVTOSA-N	415.559	3.701	50	40	HHGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OCc1ccc([N+](=O)[O-])cc1	409083302	SJTXOKIKESECLX-IWIPYMOSSA-N	419.437	3.875	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1O[C@H](C)C(=O)O	409223422	ZKWCLPADMVWHNE-OJLMPMFISA-N	400.818	3.746	50	40	HHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccco2)nc2ccccc2c1=O	1477809	WXPQRVBKEZWTMR-YDZHTSKRSA-N	418.478	3.530	50	40	HHGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1sc2ccccc2c1Cl	4616657	ZKRAANKYZJCTFJ-UHFFFAOYSA-N	400.803	3.549	50	40	HHGB	
Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1	5243860	QTTXRFFXAXEKRQ-DQRAZIAOSA-N	412.493	3.869	50	40	HHGB	
CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33725148	VVORFSJPTMRRMV-JAIQZWGSSA-N	420.263	3.837	50	40	HHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c1	59302599	LQUXDHOMRZMTQN-ZZQPOVDQSA-N	405.454	3.710	50	40	HHGB	
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1)C(=O)O	59302717	XTGZAFWAMHMJRU-XTCQQWIJSA-N	415.243	3.847	50	40	HHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc3ccccc3nc2N2CCOCC2)cc1	96792080	IDSRWXPBDPBHFL-QNGOZBTKSA-N	419.506	3.718	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408945284	NURWNIUQZHOMJE-KSEXSDGBSA-N	411.845	3.915	50	40	HHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCC1	409024633	LLJJGWGHCYVESM-UHFFFAOYSA-N	419.934	3.972	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1	409121572	YMVHPDORAQDEOZ-CJLVFECKSA-N	401.532	3.556	50	40	HHGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc(C)c1C	1453437	FTQNRIQHBAUTNZ-RIYZIHGNSA-N	400.456	3.802	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	2078472	VLGIOAYNYNESKU-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	8722593	HOGPOMOOSCHIPG-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1Cl	9374960	SOPDLPSDGHVDMB-ZDUSSCGKSA-N	401.875	3.952	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1	31783466	QPPLZCCLRBXPAG-MSXFZWOLSA-N	402.479	3.584	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Br)s1	408994196	HCSFEBCMKJKOHG-APSNUPSMSA-N	418.110	3.802	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	409218653	XAUOARJHGILJBN-DJKKODMXSA-N	409.851	3.595	50	40	HHGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1	409272651	RFTFZRAOLQJRFG-YQWDGLBASA-N	403.404	3.771	50	40	HHGB	
C/C=C1/[C@@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(C(N)=O)cc1	1087706	JBYIIUHIBQODFE-RLDDQVALSA-N	418.341	3.950	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O	2393317	CCPFYXJHGRQXGJ-SDNWHVSQSA-N	409.829	3.919	50	40	HHGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	2798583	OOLNZVNIVYBHNS-JOCHJYFZSA-N	414.465	3.972	50	40	HHGB	
O=C(CC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12	2801406	WNVKDJNFJOOEHO-CTVDDJEBSA-N	408.461	3.984	50	40	HHGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(Br)cc1	3136651	YRARSXXLCPOMQB-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1OC	12412739	HWIRUQWVUMSTGR-LJQANCHMSA-N	424.453	3.857	50	40	HHGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	13540433	MMHSQGKJHCDKHO-VXPUYCOJSA-N	418.884	3.777	50	40	HHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1O	13562083	KEMPDHYPGWZDBG-IZZDOVSWSA-N	417.206	3.946	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c1OC	20503907	SHTBOGSWNFVHSV-INIZCTEOSA-N	411.483	3.512	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	32138961	WJVPNBKBUCOWCI-KSEXSDGBSA-N	410.361	3.694	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc([N+](=O)[O-])c1O	44028604	YSJXWMGGLNSZAH-IZZDOVSWSA-N	418.203	3.617	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1	107996346	RDEMZIZVQDPXJM-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
O=C(CBr)c1cc(F)c(I)cc1Br	258834060	NXNQCUBIXPVUEA-UHFFFAOYSA-N	421.829	3.770	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	408761916	HVBKLJNRKGITEF-AFUMVMLFSA-N	415.405	3.576	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCC(=O)O	408811356	LFGZURGKKRLVEY-YBEGLDIGSA-N	410.401	3.572	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc(Cl)c1Cl	408921941	LXTIQCCKSGLIQS-UHFFFAOYSA-N	406.335	3.586	50	40	HHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Cl)cc2C)c1	2134932	QOIJRBVRSJSGIV-UHFFFAOYSA-N	404.894	3.685	50	40	HHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1C	8343841	BLNQFOYMEIAFQW-ZUPDTJCQSA-N	410.499	3.607	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc(C)cc1	39402879	IWNKBEXDRHSPIZ-MXAYSNPKSA-N	403.438	3.690	50	40	HHGB	
O=C(CCl)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	39767601	FCMCDVUOORMWHY-UHFFFAOYSA-N	417.834	3.543	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)Cc2ccccc2)cc1	59515877	YPZZWBFUWSRROR-UHFFFAOYSA-N	413.543	3.622	50	40	HHGB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	96593044	YCLWXGYPDKTMHO-YRUATGHUSA-N	407.514	3.568	50	40	HHGB	
COc1c(Br)cc(Cl)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409124913	BZUHKOBDHAJOJK-AWEZNQCLSA-N	409.667	3.926	50	40	HHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)c(I)c1)c1ccccc1	409244527	FAHNAATYLZRRRU-CDCQXCROSA-N	418.234	3.781	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1	16713655	UPTAUSAFLJINBX-XMHGGMMESA-N	416.481	3.526	50	40	HHGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)NC1CCCC1	408706765	DGNWSPQKIJDBCG-FSJBWODESA-N	402.857	3.732	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1	408936656	IDDDWZKJEOPHSH-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	409000162	XIMLCFRRYWDIAA-BUVRLJJBSA-N	404.470	3.582	50	40	HHGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12	33786607	SRMRUOQRJNDMNQ-SANMLTNESA-N	419.440	3.895	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2I)c1	57537090	YJKVUBOTJUCBLN-LCYFTJDESA-N	404.207	3.845	50	40	HHGB	
Cc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)ccc3o1)OCO2	408947642	QORCLLKDZJAVQI-ZBKNUEDVSA-N	401.216	3.996	50	40	HHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1C	408969479	OIVYOKJUHUVNLB-BFTFCADCSA-N	402.498	3.730	50	40	HHGB	
COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccccc1	409124230	AEIAFRGWVALYLM-UHFFFAOYSA-N	416.433	3.709	50	40	HHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(C#N)cc3)cc2)cc1	3273602	AUUOPYVVMVHODI-UHFFFAOYSA-N	415.449	3.611	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-]	4673011	KQZRFZYQQGTSAH-SSDVNMTOSA-N	407.382	3.585	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c1	6256478	AEYYFPTZMWJISJ-PCLIKHOPSA-N	404.466	3.566	50	40	HHGB	
C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc(Br)s1	13943174	HJERRDFPLSUUOT-LICLKQGHSA-N	412.265	3.646	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408609130	JLIQZOVWFMRMMX-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc([N+](=O)[O-])cc1	408718938	WZBSECRUXZCZBL-CFRMEGHHSA-N	420.425	3.529	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1	4614844	MXOXMJRCEZEKIP-YDZHTSKRSA-N	415.877	3.694	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1	5924054	VPJJNEDDVLLSNY-IBGZPJMESA-N	418.453	3.798	50	40	HHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	13075812	FDAVUWFXNFVLSF-CVKSISIWSA-N	421.464	3.634	50	40	HHGB	
COc1ccc(CN2CSC3=C(C#N)[C@H](c4ccc(OC)cc4)CC(=O)N3C2)cc1	20348058	AFDRWXLGFDPXOF-FQEVSTJZSA-N	421.522	3.919	50	40	HHGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	108085873	SOEKYKKHORTCBN-UUYOSTAYSA-N	407.382	3.554	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)ccc1O	1789002	FFALMBVUBKAEPW-DHRITJCHSA-N	412.449	3.807	50	40	HHGB	
Cc1ccc(N(NC(=O)C(O)(c2ccccc2)c2ccccc2)C(=O)CCl)cc1	2301082	UUKQACYZIYDMIY-UHFFFAOYSA-N	408.885	3.534	50	40	HHGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1Br	4550529	LMDBVXCTLKFRTL-WUXMJOGZSA-N	407.289	3.751	50	40	HHGB	
CN1/C(=C(/C#N)C(=O)COC(=O)c2ccc3ncsc3c2)Sc2ccccc21	13100691	KBCWJFMDTOHCAJ-CPNJWEJPSA-N	407.476	3.999	50	40	HHGB	
Cc1c(NP(=O)(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C	98009089	RPVQZLOEXXZMMC-UHFFFAOYSA-N	403.422	3.825	50	40	HHGB	
O=C(O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1	408728611	PRNUUKZWMREDAZ-ROTLSHHCSA-N	403.413	3.808	50	40	HHGB	
COc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(C)C	408747389	NEKQEWGLONDQKS-ONUIUJJFSA-N	418.493	3.869	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc(I)c1	408854277	BJZYESKGVZFMBU-DEDYPNTBSA-N	415.234	3.846	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Oc1nc(Cl)ncc1F	409063043	GAJORDYKCMPPKX-AQHIEDMUSA-N	416.796	3.540	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1O[C@@H](C)C(=O)O	409233190	RRRQASLEAAMWTK-GVIGZQTCSA-N	400.818	3.746	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl	409324372	SNZGVOQEOXZRQS-UCQKPKSFSA-N	400.862	3.913	50	40	HHGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	855753	WGJLJQYEGFYFJZ-VULFUBBASA-N	421.428	3.616	50	40	HHGB	
Cc1ccc(-c2cnc(CCC(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)o2)cc1	10042919	NZXQMEDNQBHQOM-UHFFFAOYSA-N	407.514	3.946	50	40	HHGB	
O=C(CCCCCBr)OCCOC(=O)CCCCCBr	116870089	AIDUITZNIBYXOB-UHFFFAOYSA-N	416.150	3.983	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1	408587295	FFQSZIDNCOPCJE-OEAKJJBVSA-N	406.442	3.704	50	40	HHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1	409021940	GGQVTUXAOORXQT-MXAYSNPKSA-N	415.405	3.722	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409023326	JRXFTRZIHYXYGX-JJFYIABZSA-N	400.818	3.792	50	40	HHGB	
CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409133403	MGPSQYOZSXHGKB-QGZVFWFLSA-N	402.292	3.578	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1	2134923	IVOXNABAYLAPDH-UHFFFAOYSA-N	401.894	3.817	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C	2150234	QDUQFNCLLSVNFQ-FASAQXTFSA-N	408.292	3.571	50	40	HHGB	biogenic
COc1cccc(C(=O)NNC(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)c1	2755515	YOKOCSBTMBEZBQ-UHFFFAOYSA-N	404.466	3.966	50	40	HHGB	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1	8394576	LYLYTPZFWNTQAM-IBGZPJMESA-N	403.507	3.922	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	13595728	UDBYMMXTYLULKO-UDWIEESQSA-N	420.263	3.839	50	40	HHGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccccc1Br	409002393	UHFGTEROVFDQNA-ATVHPVEESA-N	414.303	3.622	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(OC)c1O	1094409	NGDMASRQEPEAFA-KPKJPENVSA-N	403.232	3.718	50	40	HHGB	
CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3	2502513	QUGQULSNDHXGIP-SFHVURJKSA-N	415.243	3.795	50	40	HHGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)COc3ccc(F)cc3)c2Cl)cc1	2663561	CRVDQFHQBFDXLH-FOKLQQMPSA-N	400.841	3.811	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O	5555006	WKCQQMNGBQJMLC-QGOAFFKASA-N	414.465	3.621	50	40	HHGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(C(F)(F)F)ccc2Cl)C1=O	9341209	CPAIUUHAHPDGGD-LCYFTJDESA-N	413.783	3.510	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1	34105055	DXRHAVOERQEMHT-UHFFFAOYSA-N	407.495	3.759	50	40	HHGB	
Cc1ccccc1C(=O)NNC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1	65769320	INPXMXULCAZFNR-UHFFFAOYSA-N	407.297	3.811	50	40	HHGB	
Oc1cc(CN(CCCl)CCCl)c(O)cc1CN(CCCl)CCCl	95777329	QWFHTWGSBNHWBX-UHFFFAOYSA-N	418.192	3.657	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)sc2c1CCCC2	2708524	ZQJXOQRPNWVGBO-UKTHLTGXSA-N	412.467	3.673	50	40	HHGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccccc1C(F)(F)F	4075819	ZCKHPHWNYUIJRN-QITOKEQXSA-N	421.463	3.877	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/C2=Cc3cc(Br)ccc3OC2)cc1	84155319	ZJZMUWAYYXVBMG-LSHDLFTRSA-N	400.276	3.747	50	40	HHGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)Nc1sc3c(c1C#N)CCCC3)OCO2	408551042	AHWZFEYEBDQHNF-AWNIVKPZSA-N	407.451	3.782	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1OC	409362740	JZJFFECMHREXGR-YDZHTSKRSA-N	423.425	3.873	50	40	HHGB	
Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	716864	MJJSTWIHLHRLRI-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1	4555269	CSRCVGNSDQWZRO-CRAIPNDOSA-N	403.837	3.602	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)o2)cc1	6595233	UOSNVLWCBFCYFD-ZVHZXABRSA-N	419.437	3.846	50	40	HHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2)cc1	9375042	AJVZRTWXXJZSPH-HNNXBMFYSA-N	413.524	3.857	50	40	HHGB	
N#C/C(=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2s1	32099395	FBKVCBYORQCGOW-OWBHPGMISA-N	406.492	3.799	50	40	HHGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccccc1Cl	101560180	UEHFBQVJXZYRLI-GFMRDNFCSA-N	410.905	3.654	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(CC(F)(F)F)nc1C1CC1	253401581	NINCKLGYWRIIMU-HNNXBMFYSA-N	406.408	3.774	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)OCC	408843805	AVWZGMNQGVZWOA-OYKKKHCWSA-N	406.438	3.867	50	40	HHGB	
Cc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1C	408923198	GEKCHOXVMHHIEB-UHFFFAOYSA-N	407.580	3.778	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1	409252313	XFVWPUQDGWBXNV-WGARJPEWSA-N	423.419	3.675	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1O	409364989	POHKWQGPMKQEKL-NHDPSOOVSA-N	405.292	3.863	50	40	HHGB	
Cc1ccc(S(=O)(=O)OC[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	675031146	XIQQBTVSLGTFDQ-JLSDUUJJSA-N	415.349	3.859	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)c1	8893089	QJEOMLSWNIRHAT-ZSOIEALJSA-N	415.243	3.767	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2	10037838	YKCSZISTUWPHHI-KEBDBYFISA-N	403.232	3.507	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC	15013762	XQLNMYLKXPNMAU-MHWRWJLKSA-N	421.453	3.976	50	40	HHGB	
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNc1ccccc1C(F)(F)F	45480961	SMVHTZVNZLTHDW-INIZCTEOSA-N	415.362	3.881	50	40	HHGB	
COc1ccccc1C(=O)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408955932	PQVLHYIOAYFXDO-UCQKPKSFSA-N	405.410	3.946	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408968863	ZUSYDFJQDOZQRF-SSDVNMTOSA-N	402.223	3.789	50	40	HHGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	408979098	LGMVOEUFWSGWDO-DOZBRYHWSA-N	416.437	3.606	50	40	HHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccccc3N)c2)cc1C	409006649	JWRJGEVIBRTGJH-WGARJPEWSA-N	416.481	3.667	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)O	409238233	CWVZEXWFOGPVFR-TUTDSIAXSA-N	414.845	3.596	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(O)c1	409391247	IHRPXVJWZMBQRB-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc3ccccc23)c(C)c1	6607033	OSISFWTVMPPAFT-ZVHZXABRSA-N	423.538	3.536	50	40	HHGB	
N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	4723612	YWLVHWDRTQXRAT-BJMVGYQFSA-N	406.167	3.748	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1	408918596	MJRKBOOPALIZMB-CFRMEGHHSA-N	416.393	3.515	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	408943644	LRRYYZIVAVERAZ-SXGWCWSVSA-N	423.856	3.551	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cc(Cl)ccc1Cl	409028262	KNIVTIMKRSUYEG-UHFFFAOYSA-N	406.335	3.586	50	40	HHGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)NCc1ccccc1	409067659	PDKNTTVIFNVQEU-ZHZULCJRSA-N	418.474	3.678	50	40	HHGB	
COc1cccc2c(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)cc(C)nc12	871164	WJGLIXPCQNDZTJ-YDZHTSKRSA-N	408.527	3.860	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1	941110	MDWXVVQBKLCRAZ-JLHYYAGUSA-N	404.207	3.845	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1	6929963	BTQPMUUZFTZWJB-UHFFFAOYSA-N	411.458	3.682	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@H]1c1cc(Br)ccc1F	8442069	WPJAIQVCCFQKQO-BBRMVZONSA-N	415.291	3.745	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1	408729156	YCCVVQHGPRWCFP-LPYMAVHISA-N	409.398	3.565	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)c(O)c1	409392503	PTKPNCRYEBYCTD-BHGWPJFGSA-N	406.442	3.654	50	40	HHGB	
C=C1CC(C(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)C1	408729958	LQJHYKAYUCSQDD-VXLYETTFSA-N	406.223	3.968	50	40	HHGB	
COc1cc(C(=O)N/N=C/c2c(C)cc(C)cc2C)ccc1I	408747873	VBVHGSRNIMJUCI-KEBDBYFISA-N	422.266	3.989	50	40	HHGB	
C[C@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)C4CCCCC4)c23)C1	881297	AMMKFJZZBGESAR-LBPRGKRZSA-N	418.588	3.636	50	40	HHGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cc1ccc(F)cc1	4950506	KKXUWRQVKXAVPP-PCLIKHOPSA-N	405.477	3.613	50	40	HHGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	8812836	IXOKQCOFBLMMSO-SRZZPIQSSA-N	421.678	3.887	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	59397876	NJPUPOXGBBBZCV-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c(F)c1	1101287	MLTUMCPUTNOBLU-BHGWPJFGSA-N	405.345	3.557	50	40	HHGB	
CNP1(NC)=NP(NC)(NC)=NP(c2ccccc2)(c2ccccc2)=N1	104361481	PMQBHDVIMJXVPW-UHFFFAOYSA-N	409.355	3.537	50	40	HHGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	408817121	KQTQGWQZQZGADE-VULFUBBASA-N	421.884	3.799	50	40	HHGB	
COc1ccc(CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1	3416262	JIOBBSHMCHNDHZ-UHFFFAOYSA-N	422.456	3.807	50	40	HHGB	
Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)c(C)c12	22895116	DMFOQVOCLYTVJB-UHFFFAOYSA-N	419.510	3.671	50	40	HHGB	
Cc1ccc(CC(=O)NN=C2CCC(=NNC(=O)Cc3ccc(C)cc3)CC2)cc1	59384101	GNJVPEZCALINFP-UHFFFAOYSA-N	404.514	3.607	50	40	HHGB	
C/C(=N/NC(=O)c1cccc(Br)c1)c1c(C)nn(-c2ccccc2)c1O	95481337	RJJUTPRTAVKYNC-MTJSOVHGSA-N	413.275	3.803	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(C)cc1	109040215	UFDKQSGEGXYJHJ-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl)OCO2	409106604	OHEIIQYFZMWKAJ-ODCIPOBUSA-N	411.241	3.650	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O	4205633	USNALVSMLUBAPV-GHRIWEEISA-N	403.438	3.828	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1	6964261	QNFOTOGLQOWMMU-WYMPLXKRSA-N	418.526	3.615	50	40	HHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1cccc(O)c1	9423410	YXEVVKYNIGAXLI-STZFKDTASA-N	412.449	3.621	50	40	HHGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1O	30840604	GUBTUVUHBNSHDD-QRVIBDJDSA-N	421.409	3.505	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	59471547	WXGZLEKAPHECEQ-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408545195	ZUCHZMHIYXJLAS-AUWJEWJLSA-N	400.818	3.991	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCCOc1ccc(Cl)cc1	409206038	LVTDROVRNDEPBS-FOWTUZBSSA-N	412.873	3.992	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	409229849	ALFWQJKPKUFXRU-WGARJPEWSA-N	423.419	3.675	50	40	HHGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1	2225585	WULNTJHOWRFMJX-KRWDZBQOSA-N	407.495	3.923	50	40	HHGB	
COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(C)cc3OC)c2)cc1	2805716	NMBDZQQSOGMKJJ-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)c1C	4494250	IRLFRICBJGSECL-UEIZDATPSA-N	420.509	3.962	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl	5720668	XCNMFFCCVOEOAA-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)cc1	6761435	BXKOAEAWRMXAMO-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1OC(C)C	6762712	JEWVRDAYJICYBR-SSDVNMTOSA-N	403.866	3.858	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1	409261693	AIPLYNKKTUQPHO-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1[N+](=O)[O-]	853945	DJOZIOIFYCINAM-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCC1	8043001	YZCVARFRSCTYJH-UHFFFAOYSA-N	419.934	3.577	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204472	MZQFPKRAQZEPBD-FYJGNVAPSA-N	403.276	3.715	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cnccn3)cc2)cc1	28632490	VUAFMCNPGUJNSJ-WGARJPEWSA-N	402.454	3.757	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)c(C)c1	58912924	AHSHFGVHADCPII-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Br	59435809	GZDZVTBCKQLAFK-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	408568750	WRPYILJZVICDPJ-XKZIYDEJSA-N	420.381	3.846	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC	408816478	JRTMKDYDZYOAQS-WQRHYEAKSA-N	424.884	3.983	50	40	HHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(O)cc3)c2)cc1C	409020712	SISCYAKMDMMGPM-AFUMVMLFSA-N	417.465	3.790	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccccc1OC	2406173	BPVPRLLGCGHXHH-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)COc1cccc2ccccc12	6244304	SUSLVVASSQVPBY-UHFFFAOYSA-N	400.434	3.598	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	6571397	WSDOCOKNIDIMIG-ZMOGYAJESA-N	418.453	3.515	50	40	HHGB	
COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1	6727954	DQONBHUMTKVYKI-GOSISDBHSA-N	408.479	3.659	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc4ccccc34)CC2=O)cc1	6962939	DOAMNCLHRNBTAA-KWXFCVSUSA-N	401.466	3.742	50	40	HHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccccc1Br	33546250	BHBCSYVQNARBJB-QPEQYQDCSA-N	414.211	3.511	50	40	HHGB	
N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-]	33871065	JUFJQTYNYMNIEL-MYYYXRDXSA-N	414.421	3.738	50	40	HHGB	
CSc1nc(C)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100296821	NUILAYRFOJPVQO-UHFFFAOYSA-O	417.494	3.832	50	40	HHGB	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(OCC)c1	408787038	ZYKCIYXLYWCVMQ-SILNSSARSA-N	405.498	3.740	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)s3)cc2)s1	668596	PWBWAFGAWRPIAP-XHQRYOPUSA-N	410.524	3.954	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1	1438661	TVYKPZMZQUQMRZ-UHFFFAOYSA-N	403.813	3.999	50	40	HHGB	
Cc1cc(-c2ccccc2)nc2c(C(=O)NNC(=O)Nc3cccc(Cl)c3)cnn12	2759968	LFHGGTKASXFDAJ-UHFFFAOYSA-N	420.860	3.825	50	40	HHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	12555982	KCOYNWCYLIKRTH-VZUCSPMQSA-N	416.187	3.632	50	40	HHGB	
COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C	12928065	ZJDKBTINRXIWRP-MRXNPFEDSA-N	422.481	3.864	50	40	HHGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cccc(Br)c2)cc1	30755661	XWBBNYRSUBJLSB-PKIWBCANSA-N	405.292	3.812	50	40	HHGB	
Cc1cccc(COc2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)c1	36020527	UOXPGSMRDRJFOF-YDZHTSKRSA-N	405.410	3.952	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(Br)cc1	96563326	JKULXHLQRSKETJ-HNNXBMFYSA-N	407.223	3.590	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1O	409000153	XGTASGFLVQYFGT-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
O=C(N/N=C/c1ccccc1O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409005008	GUZFNOGPGHLVMS-FSJBWODESA-N	420.296	3.702	50	40	HHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)C(=O)NC1CCCCC1	409097656	IZGNFNCYFNSNCF-RVDMUPIBSA-N	409.471	3.892	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1cc(Cl)ccc1Cl	805641	FFEXVKCLGYXDDK-LSHDLFTRSA-N	419.268	3.722	50	40	HHGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1	4357441	MADSDDLTGPWZKM-IQWYUUAJSA-N	408.546	3.828	50	40	HHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	4555270	CSRCVGNSDQWZRO-MAUKXSAKSA-N	403.837	3.602	50	40	HHGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2=O)cc1	6962976	FTVQCHKVFZZMCD-BIKZULFDSA-N	407.514	3.886	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	8812590	NHMWYCVUEHIQJF-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc([N+](=O)[O-])cc4)CC(=O)N3C2)cc1	12250911	RERYLQITPLJTCB-SFHVURJKSA-N	422.466	3.823	50	40	HHGB	
COc1cc(C(=O)[C@H](Br)CBr)ccc1Br	308796950	HZPFWYOCTYVVKI-MRVPVSSYSA-N	400.892	3.799	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc(F)c1	408896130	PCYGCUIXOLUBGY-WLRTZDKTSA-N	405.223	3.568	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	2063002	XVSLXJPKSFYHHM-RNJOBUHISA-N	415.125	3.730	50	40	HHGB	
CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3	2502514	QUGQULSNDHXGIP-GOSISDBHSA-N	415.243	3.795	50	40	HHGB	
COc1ccccc1NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1	2793977	QIWUCPQOFNWYIC-UHFFFAOYSA-N	417.384	3.563	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(Cl)cc1	4424893	UXCVQORUDOOSHZ-HGBKYHTQSA-N	411.914	3.821	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1	58884241	VABSGQLZAVGDKD-VULFUBBASA-N	422.916	3.822	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(C)=O	408761476	FUOHHKCJGFEBNT-RGVLZGJSSA-N	405.248	3.537	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	1435081	WYTRWSKCZYTUPV-AFUMVMLFSA-N	406.413	3.882	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC	4735355	UHPGNYDXVRMFTE-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
Cc1ccc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(N)=O)cc1C	23402378	UMWPSTIPDWKFMW-YBEGLDIGSA-N	415.287	3.916	50	40	HHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1	59421962	XALCEOMXDOACCT-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)c1	408534542	VXOFLQYJBGIHLM-MFKUBSTISA-N	419.481	3.800	50	40	HHGB	
O=C(Nc1cccc(Cl)c1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408682688	GPTVDKGDUDWTKM-BLZNNARASA-N	405.075	3.503	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409244145	YMJXMMQFRVHEAU-QNGOZBTKSA-N	419.525	3.960	50	40	HHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1OC	989071	QSFXHVZBCJAONA-HXUWFJFHSA-N	402.454	3.725	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccc(OC)c2)nnc1-c1ccc(C)cc1	1305854	NVXCJWDRGJHABW-XQNSMLJCSA-N	423.542	3.915	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	13922835	CPZSDGZOQHHDHG-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
COc1cc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)ccc1O	20238041	UMKTTYDNFNYLPR-QGZVFWFLSA-N	407.495	3.616	50	40	HHGB	
N#CC1=CN2[C@@H](C=C1)C(C#N)(C#N)[C@H](c1ccc(Br)cc1)[C@@H]2C(=O)C1CC1	102668302	WCXHIOXBJLOALR-IPMKNSEASA-N	419.282	3.575	50	40	HHGB	
OC[C@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	103536617	QNSKRAWBTXYONG-QWWZWVQMSA-N	404.010	3.641	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408610578	OIIVULRECHWKNB-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408846206	REIWUZYEXPRSOT-UHFFFAOYSA-N	418.236	3.914	50	40	HHGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	1410847	OJSVXWAROKFRAI-UHFFFAOYSA-N	412.298	3.802	50	40	HHGB	
CCOc1ccc(Nc2ncnc3[nH]cnc23)cc1CN(CCCl)CCCl	1652113	RYHNMIHOYTXMMB-UHFFFAOYSA-N	409.321	3.775	50	40	HHGB	
Cc1ccc(NNC(=O)NCCCCCCNC(=O)NNc2ccc(C)cc2)cc1	5544947	PIGFHICXXSLZOK-UHFFFAOYSA-N	412.538	3.816	50	40	HHGB	
CCc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	8108251	KMUWPMUQRSGQFX-IRXDYDNUSA-N	406.482	3.784	50	40	HHGB	
CC(/C=C/c1ccco1)=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br	13895184	VYOAKEJITCBEQG-WCOIQMDSSA-N	408.208	3.535	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O	13943683	WKCIAVZIQMEEOU-YDZHTSKRSA-N	421.409	3.505	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	14134475	DWUJYVNZMJBKGZ-ZMOGYAJESA-N	411.889	3.859	50	40	HHGB	
COc1cccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)c1	20791889	ZPMATXMHRCGCMY-ASDHTPKVSA-N	415.493	3.795	50	40	HHGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1Cl	409009464	AEGSPFARCMWNHY-UUYOSTAYSA-N	412.833	3.876	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)c(OC)c1	2241987	GTRVVDHNRBCNCH-KRWDZBQOSA-N	407.495	3.923	50	40	HHGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1COc2ccccc2O1	4579381	BNSYUTTWEDMTQJ-IGIMDHNISA-N	411.461	3.980	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)[C@@H](C)Cl)c3)o2)cc1	9062255	OWTKBGYEBIIQPE-LLVKDONJSA-N	400.822	3.563	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1OCC	36144843	UHPGNYDXVRMFTE-BKUYFWCQSA-N	405.292	3.939	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1OCC	408726218	KAMZZSMWALOUGJ-CIAFOILYSA-N	417.487	3.776	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(Cl)cc1	408785706	YIMPXOMIQXXKNA-PXLXIMEGSA-N	421.950	3.770	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)NC(N)=O	409250022	PIKVWLSZGIVAAI-RZNTYIFUSA-N	415.236	3.546	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC	409330499	AWYPYEUOMAFOAB-QRVIBDJDSA-N	416.861	3.532	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118454	GJEVEAZWKUPYFD-DEDYPNTBSA-N	421.282	3.901	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	169879732	QUALHUDNXLJZTH-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2	408998331	BAPHMWJLUQWWGB-DHRITJCHSA-N	411.417	3.811	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1	409008117	UCULORGBBYUVCK-PDGQHHTCSA-N	408.454	3.881	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)c1	1434257	LUWJQJOZZINGDT-LPYMAVHISA-N	409.467	3.783	50	40	HHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)cc1C	252477987	ZCKNWEUOFNDEGF-XGWLTEMNSA-N	415.353	3.649	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC	408891186	MRWRZYLBTYMPHV-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCC(=O)Nc1ccccc1	409243481	ZABUJGWUWUNLIS-MYYYXRDXSA-N	405.429	3.536	50	40	HHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1C	2147608	OUOHIGUIUKAZOV-CIAFOILYSA-N	402.292	3.935	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc1	5408568	ZMYJEINSMYQRCL-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)c1	9089386	NBCZCUWJMYCOLW-INIZCTEOSA-N	411.458	3.545	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCC(=O)O	59247950	BQQDFMWDKTWCLN-WQRHYEAKSA-N	406.438	3.741	50	40	HHGB	
C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)COc1ccc(C(C)(C)C)cc1	100059338	XEFAIZXENGWBMG-WGOQTCKBSA-N	406.486	3.755	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408735247	OXZABOAAKXWOKE-OQLLNIDSSA-N	414.845	3.836	50	40	HHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409336176	QUSPZQFIJYUFHD-LJQANCHMSA-N	421.522	3.968	50	40	HHGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(c3)CCCCC4=O)n[nH]2)cc1C	1598310766	PJDRAJRHWNYNBC-UHFFFAOYSA-N	416.481	3.677	50	40	HHGB	
CCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	20210462	FVRZYTCITNEWIU-UHFFFAOYSA-N	423.579	3.560	50	40	HHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)c1	58912906	MJLKKCHKXBJGSB-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccc1O	59459349	TXWVOTRHTLQPRT-SRZZPIQSSA-N	403.276	3.563	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(F)c(F)c(F)c(F)c1F	103311010	IUZJSJBSSZYSQZ-MBAGFTIUSA-N	411.252	3.963	50	40	HHGB	
CCOc1cc(Cl)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	107999345	VINIQOIGBRNMEI-MTJSOVHGSA-N	405.838	3.738	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	408599797	ZYAYSOMSRLQKKP-ZVHZXABRSA-N	400.394	3.809	50	40	HHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1Cl	408706789	DTDUBCQSLCMIKP-LSHDLFTRSA-N	405.285	3.774	50	40	HHGB	
CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	668373	CEPRUXDWTLHUBF-KOMLCTQHSA-N	403.324	3.856	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)C(C#N)=C(N)O1	931605	ZLVWPXVOMNSVSK-LJQANCHMSA-N	407.470	3.570	50	40	HHGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1OC	1481054	PCHDHTNTJZUXDU-AOMKIAJQSA-N	402.450	3.912	50	40	HHGB	
COc1cccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)c1	5540662	TVJDYIADVNBZSC-OEAKJJBVSA-N	403.866	3.557	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)N(CCC(C)C)c4ccccc43)ccc21	6395707	KSHDTKAQWBGDIW-XTCLZLMSSA-N	417.513	3.891	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC)c4ccccc34)[C@@H]2C1	13471535	LDJMOHBVFLELDJ-ISKFKSNPSA-N	423.520	3.984	50	40	HHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCC1	19951617	FAPPBEMPXPGDFJ-UHFFFAOYSA-N	405.907	3.582	50	40	HHGB	
O=C(NNC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccc1	40140160	ZCPXCBNBJBCZFH-UHFFFAOYSA-N	415.243	3.696	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	101052691	XVSLXJPKSFYHHM-FNFFVJSTSA-N	415.125	3.730	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1O	408753693	HGJYTOOGVQYSOZ-KPKJPENVSA-N	420.206	3.551	50	40	HHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	408868006	MVGXALFOJSTNAZ-XZHCKZKCSA-N	419.275	3.638	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1	409006584	PQUUSAUDDJCFCV-BUVRLJJBSA-N	413.905	3.741	50	40	HHGB	
O=C(NNC(=O)c1ccccc1OC(F)F)c1ccc(COc2ccccc2)o1	12924958	KTBYBPKVOMOWBY-UHFFFAOYSA-N	402.353	3.535	50	40	HHGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)c1oc2ccccc2c1C	40144200	PSHHSTHZZORAQK-UHFFFAOYSA-N	420.444	3.687	50	40	HHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC	408870962	WHRQHZILYIXEGF-WOJGMQOQSA-N	410.470	3.725	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1cc(Cl)cc(Cl)c1	408875355	DTFXTCYCXRVMML-YVNNLAQVSA-N	409.317	3.766	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	408970862	LHYVLWUUDKCXTO-KEBDBYFISA-N	403.232	3.976	50	40	HHGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC	2347257	FXZUKJCZIIMXJB-OEAKJJBVSA-N	423.542	3.915	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1	3085333	NXEISUJQKDSSSI-WGOQTCKBSA-N	417.509	3.856	50	40	HHGB	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)COc4ccccc4Cl)cc3c2C1	3420281	KFHLDCHUSPKLTB-ZDUSSCGKSA-N	411.889	3.786	50	40	HHGB	
Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2)ccc1[N+](=O)[O-]	4504686	CQPWSVWUMINGGJ-CIAFOILYSA-N	409.423	3.948	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	13923133	WODOQUSFMXVOHF-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
O=C(NNc1ncccn1)c1ccc(Oc2ccc(Br)cc2)c(F)c1	55214807	BITMRTDPXOVTBE-UHFFFAOYSA-N	403.211	3.927	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(C)cc2)C3)ccc1O	83313375	XTNBMVKEESNDSZ-MXAYSNPKSA-N	401.466	3.993	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(Cl)cc1	408969487	ONOICJJMYJROIA-BBMHEYIBSA-N	415.921	3.708	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccccc1	3193615	WSXBXXNKKASMCN-LPYMAVHISA-N	401.382	3.804	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1OC	5458712	AJTLSURUCNOXTM-GOSISDBHSA-N	406.417	3.841	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)O	32227814	KUBMOQDLLWNHQZ-AUWJEWJLSA-N	400.818	3.666	50	40	HHGB	
OC[C@@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	103536619	QNSKRAWBTXYONG-IMJSIDKUSA-N	404.010	3.641	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccccc1C#N	408809187	QXWSKKLTTSXYLX-FYJGNVAPSA-N	419.481	3.596	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c(C)c1	409008119	UDWUHEXUFSWBES-CPNJWEJPSA-N	419.485	3.509	50	40	HHGB	
O=C(CBr)Nc1cc2c(cc1C(=O)c1cccc(Cl)c1)OCCO2	787460	UMOPLVZOOGWGOI-UHFFFAOYSA-N	410.651	3.676	50	40	HHGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	6454985	ADZXJKRQVMQDNJ-CJNGLKHVSA-N	403.935	3.813	50	40	HHGB	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)cc1	6786629	MSYNCNLKEILJOH-UHFFFAOYSA-N	416.477	3.998	50	40	HHGB	
N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(O)cc1	16488866	SIQOSXSVRXEMBN-TXPKVOOTSA-N	400.360	3.581	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	38181611	JKWIHYGCAAYJQR-QPJQQBGISA-N	416.743	3.535	50	40	HHGB	
Cc1cccc(OCc2ccc(C(=O)N/N=C/c3ccn(CC(F)(F)F)n3)o2)c1C	252483591	FFQCKQNYZCOYHA-YSURURNPSA-N	420.391	3.998	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	1091946	KFUWMNQOLJVADW-UFFVCSGVSA-N	418.240	3.910	50	40	HHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1	33630152	GBJKGJLBVYLWPC-IGHSGZQOSA-N	406.269	3.505	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1cc(Cl)cc(Cl)c1	58903890	SRYNUDVJFSSXOQ-AUEPDCJTSA-N	409.317	3.623	50	40	HHGB	
Cc1cccc(C)c1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	102065909	XVSLXJPKSFYHHM-LPWJVIDDSA-N	415.125	3.730	50	40	HHGB	
O=C(N/N=C/c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409005665	JGPKFPCLQQCMNC-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccccc2)c1	996237	ZZCUAWPCOSZBSB-JOCHJYFZSA-N	420.465	3.919	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(C)cc1	4702572	CRNICGUSJCGIMS-AFUMVMLFSA-N	403.438	3.772	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1	20059302	LLTKWGPFIVFGEZ-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
CCCOC(=O)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)cc1	102728618	IXMFNWHPXJLMKF-RGEXLXHISA-N	400.456	3.513	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2OC)cc1	408789021	HGWFNUCMZYOZPH-RIYZIHGNSA-N	400.818	3.689	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1O	1092091	UPGUGECGZYUOEU-ZVHZXABRSA-N	415.921	3.807	50	40	HHGB	
N#C/C(=C\c1ccc(Br)s1)C(=O)N1CCN(c2ccccc2)CC1	2257562	BQHTZLJKVLGGRS-WYMLVPIESA-N	402.317	3.766	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	9934800	WKUBRQCLEBNOTB-CNHKJKLMSA-N	415.085	3.675	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C)[C@H]32)cc1COc1cccc(Cl)c1	12416856	NMDFNKWTLVINMX-VWPQPMDRSA-N	424.888	3.657	50	40	HHGB	
COc1ccc(CCNCCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OC	18192346	GMJAPCSGVJSUHB-ZMOGYAJESA-N	424.328	3.683	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OC(C)C	33850624	KFKCJXPYXBZDPK-NHDPSOOVSA-N	405.838	3.737	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc(C)c1	408735706	WNWVPJMEIALOQG-FVIRYLMMSA-N	406.482	3.785	50	40	HHGB	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	1305368	IMQPFPVRWRIEGB-HXUWFJFHSA-N	400.438	3.772	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCOc1ccccc1OC	4526022	GVTSNVHJKLNRNX-LPYMAVHISA-N	422.865	3.895	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)[C@H](C)Cl)cc3)o2)cc1	9062235	VFBLAMVXGIHELN-NSHDSACASA-N	400.822	3.563	50	40	HHGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccccc1O	10060147	KUHCRHMKXPDTEA-CIAFOILYSA-N	422.353	3.765	50	40	HHGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1OCC(F)(F)F	24763137	ONSZOIOCEFLLGL-UHFFFAOYSA-N	424.257	3.707	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	35168454	DEUJHUMBRMLUOC-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCC(C)C)c(C)n1-c1ccccc1C(F)(F)F	83260958	MROGIUPCONQAKA-ZRGSRPPYSA-N	422.451	3.725	50	40	HHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccccc3O)c2)cc1C	409012721	RMTWQBIHVAUEER-QFEZKATASA-N	417.465	3.790	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1OC	5458709	AJTLSURUCNOXTM-SFHVURJKSA-N	406.417	3.841	50	40	HHGB	
O=C(N/N=C\c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1	33301369	KTDJOZBYRUMYLT-HAHDFKILSA-N	409.283	3.835	50	40	HHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccccc1SCc1cn2ccccc2n1	48344611	CCOCHCDBWPPZHP-UHFFFAOYSA-N	416.506	3.630	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	58912509	RXSNLRPZJZXEJV-FSJBWODESA-N	421.328	3.864	50	40	HHGB	
O=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1Br	95934482	AOMYTMXBSGKEDQ-GOSISDBHSA-N	400.272	3.974	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)ccc21	102252588	TTXOLHVLECGJJW-ZNAOMFPMSA-N	414.937	3.703	50	40	HHGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(S(N)(=O)=O)cc1	104078451	YRXJDQWENWQDHM-XKZIYDEJSA-N	414.358	3.677	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(OC)c2)c1C	408587831	HKDIWDXQXQKOQM-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1OCc1ccc(C(=O)O)cc1	409186592	FHGMSBRWTNKLPQ-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC(=O)c3ccccc3)c2)cc1	657787	KDYZHBYOFWDCLV-BUVRLJJBSA-N	404.422	3.687	50	40	HHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@H](Cl)/C1=N/S(=O)(=O)c1ccccc1	4173229	YSPGGQPHFYOSNN-VDCVXVNISA-N	401.098	3.693	50	40	HHGB	
O=C1C(Cl)=C(Cl)/C(=N\S(=O)(=O)c2ccccc2)[C@H](Cl)C1(Cl)Cl	8927112	FDJBTJMBWYTXNT-NTOSSWPYSA-N	421.516	3.870	50	40	HHGB	
CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)C2(C#N)C#N	20469833	APYTWXMHKZUJOM-LPHOPBHVSA-N	411.431	3.839	50	40	HHGB	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)/C(C#N)=C\c2ccccc2)c1	33634816	AXPGARUCMCRVTE-VBKFSLOCSA-N	417.918	3.916	50	40	HHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	34704033	KCOYNWCYLIKRTH-WZUFQYTHSA-N	416.187	3.632	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1	59433862	JXHYQRXQJLPNCJ-BUVRLJJBSA-N	419.437	3.585	50	40	HHGB	
CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(-c2ccccc2)cc1	96519240	UZRYKMHGVOTQDA-CVEARBPZSA-N	416.280	3.583	50	40	HHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)c2ccccc21	103123881	CCDUURLODCSMBE-HYGPGOAJSA-N	411.509	3.683	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)NCc1ccccc1	2783291	DWCCERJGJKUWIS-NSIKDUERSA-N	405.237	3.680	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1O	4155986	CMOMEHHJLHOTNA-LUKZVCJISA-N	413.257	3.634	50	40	HHGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Oc4ccccc4)c3)[C@H]2C1	5234666	WGCMIHJEWSIUSI-GOTSBHOMSA-N	407.477	3.834	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCC	33702206	LODNIEPCZQIPIN-HAHDFKILSA-N	411.458	3.814	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	58840202	KDEQGLBPXYLRIO-QGMBQPNBSA-N	412.627	3.783	50	40	HHGB	
Cc1cccc(C)c1NC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O	59483832	GYIVHKMWQSGJSK-SRZZPIQSSA-N	418.291	3.641	50	40	HHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1O	408905095	SXGGWPNFRYRKPT-OCKHKDLRSA-N	408.252	3.636	50	40	HHGB	
C#CCn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21	409350940	UXWZJZSICVRHLR-FSJBWODESA-N	409.287	3.599	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3F)c(=O)c2c1-c1ccccc1	958226	ZCASEQAJGWJPPZ-OPEKNORGSA-N	420.469	3.723	50	40	HHGB	
CC[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(F)cc2)C1=O	2449725	NFEJPXDFKCSRDH-HXTJDARSSA-N	409.486	3.778	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2C)cc1	58912960	BGBQAALJVCSQJQ-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1	101005196	QEAVJAWCTXYMIX-UHFFFAOYSA-N	408.322	3.941	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(C)cc1	408526617	CRNKANNWDKSFJX-WSDLNYQXSA-N	402.292	3.885	50	40	HHGB	
O=C(NNc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1	408610452	UIMGOEFJHFWVCS-GOSISDBHSA-N	419.456	3.901	50	40	HHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccccc4-c4ccccc4)[C@@H]13)[C@H]2Br	408688106	VSSPDWDNOWXQGH-DNLMCPORSA-N	412.283	3.863	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	408911297	MTRJPORXMGLYDA-PXMCARDJSA-N	423.444	3.893	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1	408924098	NWKQCIPTECNCNH-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1	2342883	ZZQWZOUXPHKVTC-JOCHJYFZSA-N	413.477	3.740	50	40	HHGB	
N#Cc1ccc(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1	2658866	QBUJNSNDZCHEPL-SSDVNMTOSA-N	411.874	3.941	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O	3644305	IRGUTLRWWOYPDK-SFQUDFHCSA-N	403.438	3.882	50	40	HHGB	
O=C(NNC(=S)NC[C@H](Cl)Cc1cccc(C(F)(F)F)c1)c1ccccc1	4175632	WEJGSUNPTYQLDR-OAHLLOKOSA-N	415.868	3.664	50	40	HHGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(N)=O	9263396	SULGINJJMDZVIJ-QPEQYQDCSA-N	411.259	3.562	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C	58913364	DYMVQFFRGNDROG-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1Br	108952805	NUWXINJWGNLHDU-CIAFOILYSA-N	419.275	3.795	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-]	408756322	YWXCEYGESFTBFU-YDZHTSKRSA-N	415.409	3.814	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1	408969406	NGSUNSMEYNJORC-FRQJIFLKSA-N	406.461	3.561	50	40	HHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408980309	QLMIZXMFDSPTPK-ALAMRGAJSA-N	401.466	3.707	50	40	HHGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)C2=C1CC(C)(C)CC2=O	409142365	JXWFCGUGVILNNZ-LJQANCHMSA-N	415.921	3.731	50	40	HHGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2C)cc1	4421292	BWARVMSVILIOII-AFUMVMLFSA-N	414.893	3.670	50	40	HHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(Br)s1	9204099	LANLMGVRNWXGOW-LZYBPNLTSA-N	402.111	3.966	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1Br	12844054	WADJZHHHQRAVSV-UFFVCSGVSA-N	405.292	3.912	50	40	HHGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1ccccn1	17328838	FAWWIFWYFKMLCR-UHFFFAOYSA-N	417.856	3.663	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1	1455645	JZZRFUNKKNQTOF-FVSHYKRFSA-N	403.394	3.626	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	2282633	JUMMAKPRWOLXQB-NYHFZMIOSA-N	402.450	3.912	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccc(Cl)cc1	4156985	LALIOYDWYONTID-NNYUYHANSA-N	421.516	3.766	50	40	HHGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cc(Br)ccc1Cl	226366879	SPBDGIHPRBCMLL-UHFFFAOYSA-N	406.667	3.658	50	40	HHGB	
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1cccc(Br)c1	408962568	ZFZNRJGAVYCADE-XKZIYDEJSA-N	416.319	3.887	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409210344	JQRWJLHFNKCDQK-AUWJEWJLSA-N	402.790	3.873	50	40	HHGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3083485	LXZSSAVKIOKDDD-LSFURLLWSA-N	406.225	3.727	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCCc1ccccc1	7748167	IPZXZSWYMJHQSM-QGOAFFKASA-N	409.283	3.727	50	40	HHGB	
CCCCCCC(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	36009202	QLGKNIYTRIJEFH-HYARGMPZSA-N	412.446	3.973	50	40	HHGB	
CCN1C(=O)/C(=N\NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c2ccccc21	103506052	HNYPUZWADXFLPJ-NFFVHWSESA-N	421.460	3.797	50	40	HHGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(O)cc1O	671046	NBINZZLKKNXUNH-UFFVCSGVSA-N	415.243	3.543	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	2282632	JUMMAKPRWOLXQB-IVZQSRNASA-N	402.450	3.912	50	40	HHGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21	2291630	DGZZNANNTBKPNF-PCLIKHOPSA-N	406.486	3.836	50	40	HHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NC1CCCC1	2401509	SMZLFLDSIIMRGI-FYWRMAATSA-N	418.428	3.592	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1O	2636403	OOBPZXCFGNUKJD-ZMOGYAJESA-N	417.421	3.982	50	40	HHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(I)cc1	4470943	LIHQNPRIWZMPRN-GHXNOFRVSA-N	418.190	3.566	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cc2ccccc2o1	4738863	JQZKGHJVGSANCA-GIJQJNRQSA-N	406.179	3.507	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nccn2-c2ccccc2C(C)C)cc1	21437194	UWMHVMKJLPZVLI-UHFFFAOYSA-N	408.527	3.857	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1OCC	59473194	DTWRDPHLQMIULU-LPYMAVHISA-N	402.516	3.876	50	40	HHGB	
C#CCn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	408565864	BRCUMONMLJAJKH-WSDLNYQXSA-N	410.271	3.815	50	40	HHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12)C(=O)NC1CC1	409199679	ISAWNHMWFFCSEU-XMHGGMMESA-N	424.504	3.806	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1O	3617364	UWWVVBVAIRWJNZ-VGOFMYFVSA-N	408.273	3.810	50	40	HHGB	
C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)NNC(=O)c1ccccc1	12875719	ACQJDWKXXJIDCB-GFCCVEGCSA-N	416.553	3.605	50	40	HHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1Cl)Nc1ccccc1F	33551238	AYHRQWMGVFOSAS-KSEXSDGBSA-N	415.808	3.854	50	40	HHGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1	408738921	XATSADUZWRZJFK-RNRKLAHPSA-N	406.486	3.612	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1	408970102	ARUFGNUZOQYMFF-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I	409192058	UDGYZYGWJOLVJM-LCYFTJDESA-N	410.255	3.656	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	1304149	SCUPXFQRPSYZGQ-KGENOOAVSA-N	424.486	3.506	50	40	HHGB	
CCOc1cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)ccc1OCC(C)C	2633995	DFVAXCBTQMNMBY-UHFFFAOYSA-N	420.893	3.614	50	40	HHGB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(SC#N)c(Cl)c2)C1=O	408527368	DJSRRKKYRNJAAN-UKTHLTGXSA-N	412.858	3.800	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cccc3ccccc23)cc(Cl)c1OCC(=O)O	408568979	XUPJBSMYJYEFKF-KSEXSDGBSA-N	412.829	3.729	50	40	HHGB	
CC/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1	408719566	GHIHLFINZVNSKI-HEHNFIMWSA-N	417.487	3.776	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)c(OC)c2)cc1	658037	PTRPUHMKYPXMJH-AFUMVMLFSA-N	422.412	3.826	50	40	HHGB	
COc1ccc(O)c(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1	3259074	CWFGLZXVCLXKLC-FSJBWODESA-N	422.510	3.864	50	40	HHGB	
CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](C)c1ccc(CCBr)cc1	4474145	FSTMPDOOXPQAME-NPQOUYBPSA-N	415.331	3.978	50	40	HHGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1	6455002	PJFCKYABOLAYAV-PBHICJAKSA-N	415.584	3.881	50	40	HHGB	
COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1	16012769	LOZNLSMRLOURIZ-FASAQXTFSA-N	408.292	3.571	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1	31783303	GNZBZNOVNVYTBI-GCDVIPLZSA-N	408.527	3.603	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)c(OC)c1	33533975	FAVUOMAXMGZOGC-JPDUQLBUSA-N	418.449	3.735	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F	58912543	WXJMIBOGMMQROK-DHRITJCHSA-N	420.435	3.576	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408607077	BOZYZKSHYBNWQI-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408611311	QORATPLRTWDORS-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1NC(=O)c1ccccc1	12363970	GJAMEDJUMMYINE-OYKKKHCWSA-N	400.438	3.999	50	40	HHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2n[nH]c(N)c2C#N)cc1	33603073	SANVSZKCKYQOJP-WJDWOHSUSA-N	407.437	3.789	50	40	HHGB	
Cc1ccc(CC2(Cc3ccc(C)cc3)C(=O)N3CCCC3=C(C#N)S2(=O)=O)cc1	67340786	XOAOVRGOIBENEQ-UHFFFAOYSA-N	420.534	3.613	50	40	HHGB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN(CCCl)CCCl	68562342	OJHPKGLOUCYNIY-UKTHLTGXSA-N	420.343	3.533	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	408535458	YJRXKRDDPXVHAD-WYMPLXKRSA-N	424.379	3.965	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)O	409022185	HYPKIIQMZKUHMS-YVNNLAQVSA-N	416.817	3.712	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2=O)cc1	409271181	KGQORTQOHSEQDR-HJQVIKLGSA-N	420.296	3.895	50	40	HHGB	
O=C(c1cc2cc(Br)ccc2oc1=O)C(Br)Br	2268846	RRUWHYWQOWWGCP-UHFFFAOYSA-N	424.870	3.854	50	40	HHGB	
Cc1cc(NC(=O)[C@@H](NNC(=O)Cc2cccc3ccccc23)c2ccccc2)no1	10760260	QAQNBCZHFLHQTP-QHCPKHFHSA-N	414.465	3.680	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1OC	12275933	JPYLYXYLTRZCQL-HXOBKFHXSA-N	422.506	3.655	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	58884392	YENKADISICRVEN-BUVRLJJBSA-N	404.470	3.582	50	40	HHGB	
Cc1ccccc1NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21	100898839	GXEFOKAROUYXMJ-ZZIIXHQDSA-N	412.493	3.517	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1O	408782812	JVNMDUWXVUJKRZ-WNFQYIGGSA-N	417.181	3.946	50	40	HHGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1ccc(F)cc1	408905067	SPSKNJDYLSTUMD-XFFZJAGNSA-N	408.170	3.682	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCCC2)cc1	2783248	OQRSIVSYEZSKGS-FYJGNVAPSA-N	402.292	3.822	50	40	HHGB	
COc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)c1C	7980484	LQNYDEOYXNHUGI-LDADJPATSA-N	403.438	3.764	50	40	HHGB	
CCCN1CC=C2[C@H](C1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	36042391	PDFACFCEWVRGKX-PKOBYXMFSA-N	411.431	3.841	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1	58912908	GDIDFPXKZGMSPZ-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1c(F)ccc(OC(F)F)c1F	89793772	QMLFDOWPMUHGNC-UHFFFAOYSA-N	422.787	3.773	50	40	HHGB	
O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21	100068815	BBTGUNMUUYNPLH-UHFFFAOYSA-N	402.314	3.892	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc1	409077807	FYKIRJLIHAUKAN-ZMOGYAJESA-N	416.393	3.515	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1O	409334128	RZBBDONKNHQXOK-OYKKKHCWSA-N	406.438	3.752	50	40	HHGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(Br)cc1	2639445	STBUACFMLCRFJM-NSHDSACASA-N	411.683	3.639	50	40	HHGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	6205116	KZNVXVLOZWODNF-ATVHPVEESA-N	409.467	3.820	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1O	6995483	ZDOLEQCPROGTEW-KAVVDJPUSA-N	405.479	3.683	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1	33595940	DOISWSUVWBJWHT-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1Nc1ccccc1C	408708193	OOKOJGVCYUHQDB-QADHGOABSA-N	422.529	3.892	50	40	HHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CC2(C)SCCS2)o1	409266855	LKGKOGHAQBZXTI-UDWIEESQSA-N	404.513	3.770	50	40	HHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1	2020908	PVZRCVRYUCYOAO-PCLIKHOPSA-N	416.481	3.777	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N32)cc1	12275031	TYSZQHVETSFFDL-HTAPYJJXSA-N	410.470	3.868	50	40	HHGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(-c2ccccc2F)o1	14253057	GOJPTWUOKJQEFB-UHFFFAOYSA-N	410.430	3.569	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)[C@H](Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	19994521	NDORNCNJQGKTIO-VMHRPQTGSA-N	408.389	3.743	50	40	HHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=C2CCCC2)cc1	58925971	DMPYRQYDGQFFBA-UHFFFAOYSA-N	419.934	3.966	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OC	408871060	VRVMLMYXWDCYKF-SRZZPIQSSA-N	402.472	3.532	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408936262	HJRXIMSGIZWYLP-ZOCVZFIWSA-N	409.317	3.766	50	40	HHGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1ccc([N+](=O)[O-])cc1	409064520	PRYCBRKODNBOCT-LSFURLLWSA-N	415.768	3.734	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1	409064910	QVFCPFOZCPQPEG-AUEPDCJTSA-N	400.797	3.834	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1	409121329	ZCIPDXQBTZERMG-UHFFFAOYSA-N	407.923	3.664	50	40	HHGB	
COc1ccc2c(=O)c3c(oc2c1)OC(N)=C(C#N)[C@H]3c1cccc(OC(C)C)c1	1073616	KIKAPSREKDLGKW-LJQANCHMSA-N	404.422	3.807	50	40	HHGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)OCC)cc1OC	4544212	MTAKOFZHQBMXJH-GHXNOFRVSA-N	415.227	3.559	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1OC	72231274	PYDABFIPROXJFM-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1	107589308	OAXCFDFNJKAFQV-WSDLNYQXSA-N	406.398	3.886	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	408565781	AIJMCCRGVCGKSJ-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	408849921	BAOFHTNYVFJFEK-QRVIBDJDSA-N	410.426	3.537	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OC	408983347	BBXLBGCANACHAM-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1	4494684	DVWFVGUVXFRQJI-MRXNPFEDSA-N	405.439	3.925	50	40	HHGB	
O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1	37171093	DQTICXLNEPECJU-LLVKDONJSA-N	408.683	3.599	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	59101727	WSCGGZUCQLQYEC-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
CCCCCCCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	97940389	GEMANDDGMLDLBK-INIZCTEOSA-N	415.559	3.990	50	40	HHGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	409220106	UGTBHDQUHHAOBI-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	409224544	MIZIWCAOYHGSPF-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2c(cc1Cl)OCO2	2756245	RMHMNMAQTYYWLA-CGOBSMCZSA-N	401.633	3.905	50	40	HHGB	
C[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@H]1Cl	4746255	HCSIHWBZGLSAHA-YXKOMOBRSA-N	401.098	3.693	50	40	HHGB	
O=C(N/N=C/c1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1	5637238	AUJAGQNFLBTUSD-HYARGMPZSA-N	400.320	3.811	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)ccc1OCc1ccccc1	12970044	XKVNDTUZAFYUHJ-LGJNPRDNSA-N	400.438	3.914	50	40	HHGB	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)COc1ccccc1-c1ccccc1	14185962	UIPHBMMQKPXTKT-UHFFFAOYSA-N	413.524	3.550	50	40	HHGB	
O=C(NNC(=O)c1c(-n2cccc2)sc2c1CCSC2)c1ccccc1F	16174568	BOPPNXFCAKXMID-UHFFFAOYSA-N	401.488	3.542	50	40	HHGB	
COc1ccc(C(=O)N[C@H](C(=O)NNc2ccccc2C(F)(F)F)C(C)C)cc1	45480849	OCBHXSFRJZWVFD-KRWDZBQOSA-N	409.408	3.612	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(OCC)cc2)cc1OCC	408711612	BLKRKUJMLAGAIO-IWIPYMOSSA-N	414.889	3.842	50	40	HHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(OC)ccc2ccccc12	408912841	RQORQLGXWHYASE-NSRYLYFRSA-N	419.481	3.656	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c(OC)c1	2444139	GIOGCQPZGOYDNM-GOSISDBHSA-N	407.495	3.923	50	40	HHGB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H](C)Br)cc2)cc1	6204382	SKEOATKXRQVMAJ-ZDUSSCGKSA-N	405.244	3.724	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccccc1O)c1ccccc1	408722975	JTDBPOMNODBDOZ-YYDJUVGSSA-N	412.449	3.774	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)=O)cc1	408759536	GQJLRYXNPXVGOK-NTEUORMPSA-N	415.243	3.929	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(N(C)C)c3)o2)cc1C(=O)O	408851276	AWAWRWHMGRPZOJ-CFRMEGHHSA-N	421.453	3.548	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	408971999	NGKWFZPHRPLIMH-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2O)c1	2554611	BXFZENONPYIQTA-XMHGGMMESA-N	423.900	3.857	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(Cl)cc1	16745970	MRPXPXLBJHBCBE-QUWSGOTNSA-N	411.914	3.821	50	40	HHGB	
Cc1occc1C(=O)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F	22965654	VNHASEXEGQBNPN-UHFFFAOYSA-N	412.755	3.521	50	40	HHGB	
N#C/C(=C/c1ccccc1OCC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl	40161156	CCKDEQHWEMAIII-QPEQYQDCSA-N	412.250	3.795	50	40	HHGB	
C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1c(O)cc(C)oc1=O	102320582	LLTWZFGDJUBJCC-SRZZPIQSSA-N	413.257	3.660	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408607184	CKTPBVTZBKELSE-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc(OC)c1O	408793295	DTNSZJGRERDBMM-LDADJPATSA-N	406.438	3.852	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(Cl)c2C)cc1OC	4402075	CVHJEEHEBHOCCE-FSJBWODESA-N	403.866	3.800	50	40	HHGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccccc1	4600237	UINCKEFUBGCDGD-UHFFFAOYSA-N	411.314	3.730	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4C(F)(F)F)[C@H]3[C@H]1CC2	33674258	SYKMGGBOPDTRLO-FTNBBQJZSA-N	409.415	3.592	50	40	HHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(I)c1	408762732	LABVOKMEEHEWLG-UKTHLTGXSA-N	404.207	3.845	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)ccc1Cl	409141898	CDPXCJLKIKUXHO-DOUQRPAJSA-N	412.829	3.570	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1	3072691	AQDGMUUDLKXHFZ-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1	5674671	AURNQVAYGFNUII-HUSFYUSLSA-N	406.486	3.929	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	5698625	LOZVONILXXKVGU-UHFFFAOYSA-N	420.340	3.975	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCC(=O)OC)ccc3ccccc23)cc1	20198207	HBAZXLYFHADZRQ-MFKUBSTISA-N	420.465	3.944	50	40	HHGB	
COc1cc(Br)c(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1OC	34201010	KQDHWANAOZDLNY-SSDVNMTOSA-N	416.275	3.640	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2OC)c(C#N)c1C	408547149	SEBRVUAPGIQURI-OQLLNIDSSA-N	424.478	3.841	50	40	HHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)c1cccc(Cl)c1	409113945	JRUOUODWCJPVGU-JJFYIABZSA-N	413.846	3.953	50	40	HHGB	
Cc1cc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)o1	3283914	FVHPNKJVBKJTFS-LPYMAVHISA-N	410.499	3.620	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1	5162254	WTRYRKFYUQTDPR-IBGZPJMESA-N	415.453	3.652	50	40	HHGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)ccc1Cl	5540424	OCQYIICYHQNUOB-FSJBWODESA-N	412.829	3.990	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)c(C)c1	13955342	TVUXNLPDVSYUEQ-ZBKNUEDVSA-N	411.683	3.954	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)c1	26781493	AVJXAOYVLHFEQK-FLFXYHILSA-N	418.449	3.735	50	40	HHGB	
CC(C)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1	39986711	CVMXSMIBKWTTEN-IWIPYMOSSA-N	423.538	3.734	50	40	HHGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	408742901	QLGQLVYSDMTCHJ-GHXNOFRVSA-N	402.204	3.912	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OS(=O)(=O)c1ccc(C)cc1	408889217	AVKYWHWPAMBTBB-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1	5379527	VFEQFVXKWROOKQ-SRZZPIQSSA-N	418.291	3.903	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)cc2)c1	8811112	NOIKVVLCUJZWOQ-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1	35086427	MOWIULBDTCXQAX-XKZIYDEJSA-N	421.413	3.603	50	40	HHGB	
CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(-c2ccccc2)cc1	96519241	UZRYKMHGVOTQDA-HZPDHXFCSA-N	416.280	3.583	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)cc1Br	989341	JKWJAKPQZYEFSO-OAHLLOKOSA-N	413.202	3.913	50	40	HHGB	
COc1ccc2c(=O)c3c(oc2c1)OC(N)=C(C#N)[C@@H]3c1cccc(OC(C)C)c1	1073618	KIKAPSREKDLGKW-IBGZPJMESA-N	404.422	3.807	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)c(OC)c1	2754785	QKOFBPRFGDFOMS-BUVRLJJBSA-N	405.454	3.726	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1	4592213	HDTDNJWWKBUBBM-UHFFFAOYSA-N	419.319	3.895	50	40	HHGB	
C[C@H]1Cc2cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc2O1	13811681	VWXUCNCXBJPTKA-GQVHDAKQSA-N	407.495	3.595	50	40	HHGB	
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1)C(=O)O	59249781	WSKSBLQMJALNIP-CJAAZZPWSA-N	415.243	3.847	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OCC)c2)cc1OC	409324414	SIUNBKJJECLCMB-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	1458029	ZJMWUXRGLATEKZ-UHFFFAOYSA-N	418.840	3.679	50	40	HHGB	
COC(=O)[C@H](NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1	2756061	XKDDRRMDHNLTNC-GOSISDBHSA-N	411.285	3.688	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)c(C)c1	3027033	SDXHLRNSAVYUJK-AWQFTUOYSA-N	411.683	3.949	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1	4893151	OICGLRSLQPEING-BUVRLJJBSA-N	417.421	3.815	50	40	HHGB	
O=C[C@H](NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104193724	JELOSNKJWVDIEP-AREMUKBSSA-O	424.460	3.936	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)c(OC)c1	408602465	OFEXMWXWFGSQSS-BOPFTXTBSA-N	424.453	3.580	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1OC	408726943	NVNYZKPNPQLLAK-CIAFOILYSA-N	415.471	3.552	50	40	HHGB	
CC(=O)Oc1c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408741539	JLGQOQHTSKROAF-VIZOYTHASA-N	410.338	3.718	50	40	HHGB	
O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	4508127	WINDVJDZQPWWFA-IBGZPJMESA-N	407.451	3.889	50	40	HHGB	
O=C1CCC(=O)N1c1ccc(SSc2ccc(N3C(=O)CCC3=O)cc2)cc1	4672120	HAQPRERMKFZYPB-UHFFFAOYSA-N	412.492	3.793	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	6045515	NCBMLVZYCWXUSW-ZMOGYAJESA-N	401.422	3.674	50	40	HHGB	
CCCn1nc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)c2ccccc2c1=O	6785956	NWBARKYKFJYLMP-PCLIKHOPSA-N	420.513	3.995	50	40	HHGB	
Cc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1N1CCCC1	408852535	HDUIKVBPKYMHQC-LPYMAVHISA-N	416.319	3.887	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC	6656435	YCSOJAYVVQOUSK-YDZHTSKRSA-N	416.861	3.532	50	40	HHGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	9200648	KJYMTXGSJGGPTH-QGMBQPNBSA-N	412.081	3.990	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1	409007593	PPBLWFNRYRCJKY-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC(C)C)cc2)c1	409186461	CGZJNHFIJLTYSV-PDGQHHTCSA-N	408.454	3.961	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2ncnc3sc(C)c(C)c23)cc1	917821	ORHYECHQOQIJAT-ZDUSSCGKSA-N	400.529	3.558	50	40	HHGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccnc1	13617862	QIAIPKVHVUDPHG-MOSHPQCFSA-N	415.569	3.858	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	36136790	TXLURMOTZYAZRU-FOKLQQMPSA-N	410.361	3.694	50	40	HHGB	
Cc1cc(=O)c(C(=O)NNc2ccccc2C(F)(F)F)nn1-c1ccccc1Cl	39978435	HIDIOBNWKJOLEH-UHFFFAOYSA-N	422.794	3.970	50	40	HHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	408997333	FNHUTDGKIPKUFE-SVZNOHIVSA-N	418.837	3.576	50	40	HHGB	
C#CCn1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cccc(C)c21	409036157	LCKRFDLJECYZML-FMCGGJTJSA-N	405.527	3.541	50	40	HHGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)o1	409049782	YRCOXBQIYGZHSH-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1	951064	XKKAPOHVOISKJK-NTEUORMPSA-N	416.227	3.757	50	40	HHGB	
COc1cccc(OCc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)ccc2OC)c1	8973172	AYSVQDPGGDNPEY-OAQYLSRUSA-N	418.453	3.533	50	40	HHGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)c1	12276891	ZETLNNIVQLSASW-QGZVFWFLSA-N	422.466	3.614	50	40	HHGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)c1Cl	20885186	ITLKMBAZXOEOTM-IGCPIRJNSA-N	409.607	3.989	50	40	HHGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-]	21285186	MXFHXHVLLISUTJ-UHFFFAOYSA-N	404.688	3.932	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(SC)cc1	408605104	KPUZEQWCXLBPEY-KRWDZBQOSA-N	413.572	3.662	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OC	408968808	ZJNNUZUFAQDXNC-LSHDLFTRSA-N	420.238	3.631	50	40	HHGB	
C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)c1ccccc1Br	4690598	DEULZGJOWNIWMM-KOUDTOEKSA-N	402.292	3.822	50	40	HHGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	5724633	CTWSMUAQYKVCMU-GOSISDBHSA-N	407.817	3.961	50	40	HHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC	8812426	XXHZDHWJWUNQMS-WSDLNYQXSA-N	419.250	3.763	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)c1OC	12275663	KTTVGPPYBKWRMT-HXOBKFHXSA-N	422.506	3.655	50	40	HHGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl	25257126	MPPKBPYIPCOPQU-PXAZEXFGSA-N	422.312	3.599	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1cc(Cl)ccc1Cl	58911427	MUQBZMHTOBVUTM-LSHDLFTRSA-N	409.317	3.766	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)cc1	2328042	XDIBIEONPMERBF-KRWDZBQOSA-N	422.466	3.823	50	40	HHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(C)cc1C	6189753	DPZXKUWWGNYOPE-YZSQISJMSA-N	411.546	3.649	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	6376312	VVRJIGUSZCIRDS-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
O=C(Cc1cccc2ccccc12)NNc1ncnc2c1cnn2-c1ccc(F)cc1	7393244	SVNPWGJECMZGLM-UHFFFAOYSA-N	412.428	3.794	50	40	HHGB	
CC(C)c1c(C(=O)NNC(=O)c2cn(C)c3ccccc23)cnn1-c1ccccc1	32418209	IEIPYWZIXIDIAG-UHFFFAOYSA-N	401.470	3.562	50	40	HHGB	
COC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	100814703	LOZNLSMRLOURIZ-UPRAQXHNSA-N	408.292	3.571	50	40	HHGB	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC	408774063	ACOJHMDJBPLXID-SILNSSARSA-N	405.498	3.740	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)cc1	408915932	SBASFMZLKDVTBO-FSJBWODESA-N	412.829	3.916	50	40	HHGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(I)c1O	409366612	XBJCRQBGEALXOW-QCDXTXTGSA-N	421.190	3.798	50	40	HHGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccccc2F)c2ccccc21	9447756	UJUQJOOTQGKQBQ-XDOYNYLZSA-N	424.435	3.567	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118601	POFQCKVQSSWCPL-YBFXNURJSA-N	408.239	3.842	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1C	32109600	ZSSUCSOLKWVTRB-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	108095661	ZXCBXNKMWINPHS-MYYYXRDXSA-N	417.513	3.882	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408543151	PPPMUPOSLVRASJ-QPEQYQDCSA-N	401.216	3.702	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c1	408742166	PVMNXCNUJINZEF-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408807118	KHHVCSUURLGSNS-WYRKQZDXSA-N	402.292	3.953	50	40	HHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408818436	WUWODZBLCWRTQO-OPWUTIMJSA-N	402.086	3.739	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408860633	AQPFDZZPKJWERQ-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	408913824	UHGYCMPLSNHOKA-QQZPLFJDSA-N	408.285	3.801	50	40	HHGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2)cc1	409256329	NSKVXLOIYPFQBZ-AFUMVMLFSA-N	402.450	3.996	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1	1054276	BYQVGOUUDFGJPP-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OC(CCl)CCl)cc1	1085162	CNDIZXLFOQVLEW-IRXDYDNUSA-N	400.302	3.996	50	40	HHGB	
CC(C)CNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21	5344953	DHDPEMGUZKZTNK-ZPHPHTNESA-N	406.873	3.537	50	40	HHGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	6477545	WSYOSOALDJCOAM-FQEVSTJZSA-N	417.534	3.652	50	40	HHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1	10118473	DJLDEOUCDQAIFW-VXLYETTFSA-N	403.223	3.845	50	40	HHGB	
C=CCOc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OCC	32119738	AVLWZZBUJUXZDZ-UCQKPKSFSA-N	415.877	3.782	50	40	HHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(OC)c3)cc2)cc1	408837929	ASPBMYHOCLGPIB-BUVRLJJBSA-N	403.438	3.720	50	40	HHGB	
CN(C)c1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3F)c2)cc1	408947179	ARDGYYUMTCKBLH-MFKUBSTISA-N	405.429	3.875	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	409009245	CIYDLZBIKHZFRB-UDWIEESQSA-N	413.231	3.912	50	40	HHGB	
CCOC(=O)Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	818726	CPTNFKQUMMWOCK-NRFANRHFSA-N	419.481	3.655	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccco1	5580965	WRBUXJWOMOVCDK-GIJQJNRQSA-N	404.176	3.974	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1	6355257	BDVQZWIBBRBPEJ-YJBOKZPZSA-N	413.543	3.558	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC	96663269	JMBNDUBXTJKDQT-WJDWOHSUSA-N	422.441	3.758	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408609064	JGVRBWWKKQWPSN-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1	408780253	WDPPHVWAGMZRGK-QRVIBDJDSA-N	422.441	3.540	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	408797172	BNNGTEMQCIMHNK-CPNJWEJPSA-N	415.449	3.829	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2OCC)cc1	408836286	PSNVSNAROOASRD-SFQUDFHCSA-N	408.410	3.506	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCC3)c2C)cc1Cl	408970969	BRAJWJVVPCVVSS-YDZHTSKRSA-N	400.910	3.519	50	40	HHGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)cc1	4494683	DVWFVGUVXFRQJI-INIZCTEOSA-N	405.439	3.925	50	40	HHGB	
Cc1n[nH]c2c1[C@H](c1ccc(COc3ccc(F)cc3Cl)o1)C(C#N)=C(N)O2	5728509	GHAHFAUNJDDIPN-KRWDZBQOSA-N	400.797	3.901	50	40	HHGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C(O)=N1	9088857	IVWHWCQKBPMUGP-CVEARBPZSA-N	422.890	3.604	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)c(Cl)c4)[C@H]3[C@@H]1CC2	100963315	CRZZFQSJDRYLJT-MDVLYUJXSA-N	410.308	3.880	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OC	216041906	QSYSVTKBHDMHED-NHDPSOOVSA-N	405.292	3.776	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408569261	ZVRBEDATEYVXAA-WZUFQYTHSA-N	416.206	3.992	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408610533	NTZZRGUTWPJYCF-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC	408746970	XLPNBOZCVKVSSV-BOPFTXTBSA-N	424.453	3.581	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl	408747502	OWCOWRJEQCYKLC-CHHVJCJISA-N	419.264	3.769	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl	408905772	DQOMGNBMAGMCDR-BFTVFPACSA-N	408.285	3.801	50	40	HHGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br	409330545	BCIOECWMDSMYNO-MTJSOVHGSA-N	419.275	3.795	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(O)c1	409390177	BVKUHODMOSDTGY-ZVHZXABRSA-N	406.438	3.752	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1	781389	KKICEALXYPWPNY-XDHOZWIPSA-N	403.438	3.697	50	40	HHGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1	813133	NYCCXYQVSSIWNQ-AJPHYDNBSA-N	417.465	3.542	50	40	HHGB	
COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(Cl)cc2)cc1OC	818315	RRPBAQZENPMIKE-QGZVFWFLSA-N	401.875	3.657	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1	1102358	QYLFTFCENDEXNQ-SFHVURJKSA-N	408.479	3.510	50	40	HHGB	
O=C(COc1ccc(Br)cc1Br)OCCBr	1692360	ZGSKUIPKDSUDJN-UHFFFAOYSA-N	416.891	3.529	50	40	HHGB	
Cc1cccc(C(O)(C(=O)NN(C(=O)CCl)c2ccccc2)c2cccc(C)c2)c1	2304183	SKDXUGQKGMNJBE-UHFFFAOYSA-N	422.912	3.843	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N3C2)cc1	2331512	LJEYUIFLRFMRKF-LJQANCHMSA-N	407.495	3.923	50	40	HHGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1	2432764	YJUUIBCMFPAONX-OAQYLSRUSA-N	401.441	3.871	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1	2765464	ZTYVCHZROFWQRD-KOEQRZSOSA-N	400.482	3.550	50	40	HHGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O	6959352	DGNSZXVHNHLWDY-VGOFMYFVSA-N	401.806	3.575	50	40	HHGB	
N#C/C(=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1ccccc1	13609196	KLLWNSSZKLLNGP-XDJHFCHBSA-N	421.444	3.666	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1	408712056	XQHBBZMLOKDJCC-MTJSOVHGSA-N	421.291	3.645	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OC)cc2OC)c(OC)c1	408872816	JGSQSQHRQNAHRY-VIZOYTHASA-N	416.861	3.598	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCC(=O)O	409074077	KBRZTSNQWIHIMU-LDADJPATSA-N	406.438	3.823	50	40	HHGB	
O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1	409225452	QWTXAWGXJBCEBR-UHFFFAOYSA-N	417.343	3.626	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409258037	VVUGOBVZWPYJEC-IMRMQAIZSA-N	420.694	3.606	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CSCc2ccccc2Br)c1OC	829291	VBFXWCLQWDRONF-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccncc2)nnc1-c1ccc(Cl)cc1	1254259	IUEGGCGPYZUPIJ-LPYMAVHISA-N	414.922	3.646	50	40	HHGB	
O=C(CCCOc1cccc(Br)c1)NNC(=O)c1ccc(Cl)cc1	2639556	BDPFOOTXJPZPAP-UHFFFAOYSA-N	411.683	3.723	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OC	3146278	UVRTXWVOSRDOPE-MFKUBSTISA-N	420.465	3.909	50	40	HHGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)c1	12276194	DDPVNYXVKAMKQW-SBUREZEXSA-N	422.506	3.655	50	40	HHGB	
CS(=O)(=O)Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	14824256	FPTWLZXVZSKECB-UHFFFAOYSA-N	407.706	3.948	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(C(C)C)cc1	59515524	JKKMWPDNQLPXJF-SRZZPIQSSA-N	418.291	3.670	50	40	HHGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1	409071433	RIOJPDYQQQHMJW-QFEZKATASA-N	405.420	3.543	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OCC(=O)Nc1ccccc1	409188922	KPZUWRJYTCYQTI-JXAWBTAJSA-N	419.481	3.678	50	40	HHGB	
CC(C)c1nc(N2CCN(C(=O)CCCl)CC2)c2c3c(sc2n1)CCCC3	4218017	YSIVKCNQYHLLDE-UHFFFAOYSA-N	406.983	3.971	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1	4568237	PCGQXUFHEAXNGZ-HXUWFJFHSA-N	411.454	3.680	50	40	HHGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	6454292	SVDHYRBBJQWXAA-UHFFFAOYSA-N	407.433	3.626	50	40	HHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1-n1cccc1	7889818	JZBRQIFTCRKHTI-SRZZPIQSSA-N	412.243	3.732	50	40	HHGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)COc1ccc(Cl)cc1	409231637	DPPWPGZFRVTORI-OEAKJJBVSA-N	401.894	3.868	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1	1470146	CCUZTXYCFSHFSR-FVSHYKRFSA-N	403.394	3.626	50	40	HHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccccc2)cc1	5395076	YVBCMLCLOHEDGQ-DHRITJCHSA-N	403.438	3.557	50	40	HHGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1	16758857	IJJYNJAKUSWLSA-CIJMEZBMSA-N	414.433	3.954	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccccc1C#N	59334862	GBKFNTKTJZLXGX-MTJSOVHGSA-N	401.466	3.870	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])cc1OC	107601149	JTCXVZIJXBXDQC-WSDLNYQXSA-N	409.398	3.538	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1O	408848988	XPDGWNXAOTWHPU-DMXJYMIMSA-N	415.449	3.817	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCN(Cc2ccccc2)CC1	409349129	UOTCBCHEDOINSJ-UHFFFAOYSA-N	412.515	3.596	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OC	409379741	YZIQNHQVFFZREQ-NVNXTCNLSA-N	418.291	3.952	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2)cc1OC	2176287	GWLUEYYXGPNFFF-CIAFOILYSA-N	419.275	3.552	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)n1	3282226	KUODUWZWKXBVOD-FSJBWODESA-N	420.494	3.848	50	40	HHGB	
Cc1cccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1	6034921	NLRCARYUJVUJNF-UHFFFAOYSA-N	411.285	3.687	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c(F)c1	8721773	KHFCISSNCDYSFH-LGJNPRDNSA-N	417.396	3.738	50	40	HHGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1	9012526	HKEKIIKBCNOPSH-KRWDZBQOSA-N	411.458	3.545	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	20059321	JBXQKBGSODWWGW-XQNSMLJCSA-N	407.495	3.584	50	40	HHGB	
O=C(N/N=C/c1ccsc1)c1cc(Br)cc(Br)c1O	408996406	DLPVWSBNBFHXRP-PJQLUOCWSA-N	404.083	3.743	50	40	HHGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC	409172380	GGLFZKYKEZZVBA-OEAKJJBVSA-N	403.394	3.533	50	40	HHGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1cccc2ccccc12	958310	SFBOOYIQXJFDPY-BRJLIKDPSA-N	416.506	3.640	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N32)cc1	12275282	LEZIJSCNTUPHML-XMSQKQJNSA-N	410.470	3.868	50	40	HHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc(Br)c1	15018569	ROPYBPIZBSRWBI-NDENLUEZSA-N	419.279	3.967	50	40	HHGB	
O=C(/C=C/c1ccc(Br)s1)NNC(=O)C12CC3CC(CC(C3)C1)C2	15900535	LNOKWOWMFLYWAQ-DUXPYHPUSA-N	409.349	3.888	50	40	HHGB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC1=S	33556986	YTRFUPJVVWKJTJ-WIOAZZGGSA-N	405.951	3.944	50	40	HHGB	
N#C/C(=C/N1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc(Cl)cc1	36596780	FBODVIIHSRDICH-RGEXLXHISA-N	422.337	3.954	50	40	HHGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	408567645	FZXBFFVLQOOCTQ-YBFXNURJSA-N	403.485	3.603	50	40	HHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2nccs2)cc1	408706538	AZVDJMMQFZMACN-SSDVNMTOSA-N	413.890	3.937	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	408754326	MRVUUYKEKNCVEM-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1	409003228	YQVJIERICZXYAH-LDADJPATSA-N	406.442	3.594	50	40	HHGB	
CCc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1	3101349	CFGFYWNIYHWGJY-FYJGNVAPSA-N	402.292	3.881	50	40	HHGB	
CCOC(=O)N1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)o2)CC1	4134672	ARXDRIJFBDSYOI-JQIJEIRASA-N	405.458	3.509	50	40	HHGB	
CCOC(=O)N1CCC(=NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1	5568616	OFINEYPUBNUVEE-UHFFFAOYSA-N	417.469	3.635	50	40	HHGB	
COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1	19911199	FHJARLMXPKCCEJ-FUAYJARZSA-N	415.493	3.795	50	40	HHGB	
C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1c(O)cc(C)oc1=O	101157774	WNIUOPBBTZEOGV-DNTJNYDQSA-N	419.648	3.533	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OCC	409357265	POVNXZLXFXGFPY-WSDLNYQXSA-N	420.307	3.809	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	1310550	QNZMWRULKIFAAU-JLTOFOAXSA-N	405.385	3.942	50	40	HHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NC1CCCCC1	58882930	YZYJCRMZAJBQRT-OYKKKHCWSA-N	413.905	3.932	50	40	HHGB	
Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3ccccc3)cc2[N+](=O)[O-])n1	409112140	FCMMSWFEXJZWNZ-MTJSOVHGSA-N	407.455	3.917	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])cc2c1	409187943	VWEHSQCDZINMGO-NHDPSOOVSA-N	413.386	3.521	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1O	2735919	PWAILTOJSNTMMZ-OVCLIPMQSA-N	401.260	3.777	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(F)cc1	3101654	LQVAEUOPKZRLCZ-AFUMVMLFSA-N	407.401	3.603	50	40	HHGB	
O=C(N/N=C/c1ccncc1)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl	4358491	BIYZAXOZCSKVAE-SKLSXVDLSA-N	410.886	3.718	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	5442774	TVNMKWOJSULHBJ-XMCHAPAWSA-N	422.319	3.961	50	40	HHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c[nH]nc1-c1ccccc1	16491854	UKMPEARFWOXIBN-VULFUBBASA-N	421.460	3.695	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	59198870	VHGDUUFJESJEEC-LDADJPATSA-N	406.442	3.594	50	40	HHGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)O	408570495	VYCRVXLHRBTQHG-WCIBSUBMSA-N	401.781	3.892	50	40	HHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(C(=O)O)cc4)cc3C2)cc1	408734377	ZOLRNEMFEHANNG-MXAYSNPKSA-N	415.449	3.678	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)cc1OC	409320504	BNIGJIHCTAHQSU-UUYOSTAYSA-N	404.850	3.695	50	40	HHGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1	4646895	SOEROABFBQLYMM-OEAKJJBVSA-N	406.398	3.523	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)cc1F	8934432	KVLDUMFKTNVSKI-FQEVSTJZSA-N	424.407	3.802	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1	408598891	KSMWONOCMBYIHS-RGVLZGJSSA-N	410.342	3.536	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1Cl	408970782	KDUYRAYNZILYMN-BBMHEYIBSA-N	415.921	3.708	50	40	HHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1	409213806	UPSWHYLGYHLPCJ-ZMOGYAJESA-N	424.888	3.671	50	40	HHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	409313114	BMPMPEFTNXLRBO-CKEIUWERSA-N	401.507	3.687	50	40	HHGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)c1	1435664	PTVODHVLPNRRLI-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2cccc3ccccc23)c(C(=O)O)c1OC	2752777	OBZCFTVXCJTWBZ-FIKYGGOLSA-N	421.453	3.506	50	40	HHGB	
N#CC1=CN2[C@@H](C(=O)C3CC3)[C@@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1	8766644	WCXHIOXBJLOALR-GUDVDZBRSA-N	419.282	3.575	50	40	HHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	33334167	SURXRBLXCSTMRF-WOJGMQOQSA-N	404.422	3.734	50	40	HHGB	
Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	104717863	ALAPFOICYCUEMN-XEMYWUMJSA-N	420.523	3.973	50	40	HHGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	409012282	QAXCVNWUTMTYHS-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1C	409259849	GNWBRKVSBVBLBP-HDDDNDSPSA-N	403.404	3.825	50	40	HHGB	
O=C(CSc1ncnc2scc(-c3ccccc3)c12)NNC(=O)c1ccco1	4189040	SUKOUQNBNKZXPB-UHFFFAOYSA-N	410.480	3.505	50	40	HHGB	
O=C(N/N=C1\CCc2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12	6675566	RWXIBKJSEUIMJX-XTCLZLMSSA-N	408.461	3.525	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1C	6903885	DTRVTBCKAZSZJI-UHFFFAOYSA-N	411.285	3.931	50	40	HHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1	9590792	MCTUSAOKJRXFPH-MJGOQNOKSA-N	417.864	3.598	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)c1	26781490	AVJXAOYVLHFEQK-JPDUQLBUSA-N	418.449	3.735	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408569686	PLIAJYMXXGXBJP-CIAFOILYSA-N	418.540	3.712	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(OCC)c2)c1	408745337	LVCYZDAXYPPOSE-BOPFTXTBSA-N	424.453	3.581	50	40	HHGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)c1	409070859	NKFLFQPBHFADFK-WGARJPEWSA-N	413.481	3.608	50	40	HHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409192039	TUBVPOXSGBWMJE-SRZZPIQSSA-N	421.678	3.887	50	40	HHGB	
C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21)c1ccccc1	2343098	IUWMWRJELOUHIE-LBNMDVIHSA-N	420.472	3.989	50	40	HHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1	5379977	YYPVSHXWALCNNN-UFFVCSGVSA-N	405.838	3.780	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2	102829489	KURBORKWOOLPAH-OHWVRGNDSA-N	410.562	3.955	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2F)cc1I	408905157	UMJQOUHMDZMAJY-VXLYETTFSA-N	412.202	3.593	50	40	HHGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	670914	OETHIAWOSWUCCQ-UHFFFAOYSA-N	401.466	3.628	50	40	HHGB	aggregator
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3ccoc3C)c2)cc1	989783	CELALNFUFFIBTG-FHIQCHCQSA-N	404.422	3.979	50	40	HHGB	
CCc1cc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c2ccccc2n1	1221272	LCZGADZXYZBUIF-UHFFFAOYSA-N	423.270	3.646	50	40	HHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1c[nH]c2ccccc12	9996258	JPBICMCNYBNZNG-MRXNPFEDSA-N	401.466	3.869	50	40	HHGB	
COc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1OC	30900885	HXVVUGRMQXSOKO-FBHDLOMBSA-N	421.291	3.612	50	40	HHGB	
COc1cccc(C2=Nc3ccccc3[C@@H](c3ccc(Cl)cc3)N2CC(=O)NN)c1	97105695	ZNAAJBYHVHPERY-JOCHJYFZSA-N	420.900	3.822	50	40	HHGB	
C[C@]1(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)NC2(CCCCC2)Cc2ccccc21	408734039	FKPWWFCCTZIRIM-OLCUMFGGSA-N	406.486	3.809	50	40	HHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c1	409004484	AGONTKALYSKAMI-LSHDLFTRSA-N	412.785	3.760	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1	409099653	SPBUHNVOBZEPCC-UQQQWYQISA-N	418.497	3.859	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)NC2CCCC2)cc1	409192592	CMWCDKCELKANND-RGEXLXHISA-N	403.482	3.978	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)c1	409218835	HNIQVTGBEWDMBL-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
CCOc1cc(Br)cc(/C=N/NC(=O)COc2cccc(C)c2C)c1O	904044	OSEWCMNNZQWGFN-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3169119	IYVSUUVTLIDEQK-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc2c(c1)OCCO2	3291250	NVBIQXCFHHKSNG-MFKUBSTISA-N	418.449	3.566	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1c(F)c(F)c(F)c(F)c1F	4494686	VXBZBTHUQPRTHL-SECBINFHSA-N	404.298	3.990	50	40	HHGB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C1=O	9424344	HRVLERVXIRIINM-JXAWBTAJSA-N	423.900	3.653	50	40	HHGB	
CC(C)Nc1nc(NNC(=O)CSCc2ccc(Cl)cc2)nc(NC(C)C)n1	27300831	GWGNYGDVKXFFFS-UHFFFAOYSA-N	423.974	3.542	50	40	HHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)c1cc2ccccc2o1	55145757	JQZKGHJVGSANCA-NVMNQCDNSA-N	406.179	3.507	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Cl)c1Cl	58911400	CONRKDFXKVKOSG-LSHDLFTRSA-N	409.317	3.766	50	40	HHGB	
CC1=NN(C2=N[C@H]3CC[C@@H](Br)[C@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	105339428	VVEWGYNQQNSCFR-WVJPBLSUSA-N	406.309	3.754	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc2c(c1)OCO2	408785520	ZWOQFAFIJVUONS-NVMNQCDNSA-N	408.454	3.825	50	40	HHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408799657	HGROHFZUFYSZGW-JVVDXDAESA-N	402.086	3.739	50	40	HHGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)Nc1ccccc1F	408810952	LPDZLFIXXNYHMA-XFFZJAGNSA-N	408.170	3.682	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	408895571	LGBHWVLEQPKGHK-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1O	4513526	BEGPILFMHIKZML-UFWORHAWSA-N	405.819	3.941	50	40	HHGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@H](c1ccccc1)C(C#N)=C(N)O3	9059107	KSIBTEOREJTFQZ-OAHLLOKOSA-N	400.463	3.973	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)o1	35145430	PBGJBBFVSFXAHC-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
CCc1nn2c(/C=N/NC(=O)c3ccncc3)c(-c3ccc(Cl)cc3)nc2s1	41078031	CYYDENYTIVXTRI-SSDVNMTOSA-N	410.890	3.833	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1Cl	59392636	UGDRGNSDTRLEHI-VOTSOKGWSA-N	406.685	3.880	50	40	HHGB	
COc1cc(Cc2ccc(NC(=O)CCl)c(OC)c2)ccc1NC(=O)CCl	1056133	DLCZFTSFCQFKHK-UHFFFAOYSA-N	411.285	3.649	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1O	1211191	UTHPSVFBSKMECL-WUXMJOGZSA-N	403.232	3.718	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1O	3234498	LXJSPKUGVCEPPS-FSJBWODESA-N	422.510	3.864	50	40	HHGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)c(C)c1	101052798	PDNFNPBSCGHJEP-YVECIDJPSA-N	415.125	3.730	50	40	HHGB	
COc1cccc2cc(C(=O)N/N=C/c3ccccc3I)oc12	107918920	FEZAVJXRVBQOSY-VXLYETTFSA-N	420.206	3.810	50	40	HHGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408611441	QYFWTVXRWUAWJP-LSHDLFTRSA-N	408.285	3.547	50	40	HHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1cccc(Cl)c1	408904868	PTHFCNBOXRAXPQ-IUXPMGMMSA-N	415.618	3.806	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1	409315676	ODXOBTXALBATGS-RKVPGOIHSA-N	413.543	3.557	50	40	HHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cn(CC#N)c4ccccc34)oc12	409377054	FSBITRDQKBNYKM-FOKLQQMPSA-N	417.381	3.592	50	40	HHGB	
CCOC(=O)[C@H](Br)CCCCC[C@@H](Br)C(=O)OCC	1688351	ZURULWRWZPGQMA-GHMZBOCLSA-N	402.123	3.590	50	40	HHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1	16158214	CVGOULSTRJFYQG-HMMYKYKNSA-N	418.474	3.678	50	40	HHGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(-c2ccc(Cl)cc2)o1	32118659	AAZZMXQHZKLIRY-UHFFFAOYSA-N	405.888	3.611	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1cccnc1)c1cccc(F)c1	408723172	NZOWEYMLDXHVRB-YYADALCUSA-N	415.428	3.603	50	40	HHGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cn2cnc(Cl)c2Cl)o1	2142579	CRAKJPXUPRXWCQ-UHFFFAOYSA-N	413.648	3.559	50	40	HHGB	
O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl	2390986	JEQYIFDOJMYVPS-NBVRZTHBSA-N	409.873	3.549	50	40	HHGB	
COc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	3330006	JJAINZCGOJCZRR-CVKSISIWSA-N	419.481	3.845	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)c(OCC)c1	5095407	APSBLADGTVCKCI-LJQANCHMSA-N	418.453	3.798	50	40	HHGB	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4cc(-c5ccccc5)[nH]n4)cc3c2C1	7191819	UMASAMMUSAHYHE-CQSZACIVSA-N	413.481	3.758	50	40	HHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)cc1	7727797	DWUQSDDZNORQPN-UHFFFAOYSA-N	400.525	3.964	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	8206475	OEWZRBXITGUHEM-KEBDBYFISA-N	415.427	3.599	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1	8686014	XDEIAEULRVMEIZ-LGMDPLHJSA-N	424.913	3.765	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2cccc(C#N)c2)c1	8811096	BMURWVXBIBSEHJ-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
C[C@@H](C(=O)N/N=C\C=C\c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	16810049	HEEWGDIJMRSASK-XDHMMOLMSA-N	420.538	3.959	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1	102065964	LALIOYDWYONTID-USZNOCQGSA-N	421.516	3.766	50	40	HHGB	
O=C(CCC(=O)NC1CCCCCCCCCCC1)NNC(=O)Cc1ccccc1	199425918	OIHGAVJSADEBOK-UHFFFAOYSA-N	415.578	3.946	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c1	408601396	ASOHHIJEBHGFPH-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1	1052206	XAMHJCJLBMINGI-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1c(-c2ccccc2)noc1C	5488157	INGVDVZTVRRYJQ-YDZHTSKRSA-N	401.426	3.614	50	40	HHGB	
O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1	12289574	JSKKKNYSKXABKR-OVCLIPMQSA-N	419.481	3.842	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1	13567718	VVVLWZFFARHSJP-SANMLTNESA-N	424.504	3.684	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	108982202	FUOMYNFEYIMMRJ-MTJSOVHGSA-N	408.370	3.764	50	40	HHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1)c1ccco1	408996303	HIXPACJPFSRARK-VXLYETTFSA-N	402.204	3.651	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409348051	ONZXIAFKADBBQK-DHRITJCHSA-N	422.416	3.875	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1	575613675	JXTHJVUQFDHRFZ-ZDUSSCGKSA-N	420.526	3.858	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CCCBr)c2ccc([N+](=O)[O-])cc2)cc1	4916937	KQWBZHGQYLQZOW-UHFFFAOYSA-N	413.293	3.884	50	40	HHGB	
O=C(N/N=C1/CCc2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1	34870981	MVCCCTIAAAGKQH-UZYVYHOESA-N	411.508	3.629	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2Cl)cc1	100929984	YERRDXQVSPBWDS-FSJBWODESA-N	424.284	3.902	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC(n2nnc3ccsc3c2=O)CC1	390831065	PJVYFHBHDNMYEW-CQSZACIVSA-N	424.617	3.731	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccc(F)cc2)CC1	409006349	NFWWWZPJHPQKGP-CVKSISIWSA-N	419.456	3.687	50	40	HHGB	
COC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1	1823485	JJTNVWPJSQNZED-UHFFFAOYSA-N	404.466	3.844	50	40	HHGB	
O=N[C@@H]1[C@H](Br)[C@H]2C[C@@H]1[C@H]1[C@@H](Br)[C@@H](Br)C[C@H]21	4726393	SZPWXGQNCFUWFY-ALDCGWSVSA-N	401.924	3.698	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c(OC)c1	6127281	HWHBOJJQKGMBKU-PCLIKHOPSA-N	417.465	3.649	50	40	HHGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC[C@H]1CCCO1	13122509	UXWODVQNIBTBKL-JEMSNHSXSA-N	400.818	3.500	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(C)C)c1	33749748	VUCWOIHWEJEBKD-NHDPSOOVSA-N	418.291	3.959	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCOCC2)c(C)n1-c1cccc(Br)c1	409067429	YBGXFSVGPKFVRX-GZTJUZNOSA-N	414.303	3.622	50	40	HHGB	
O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cc2ccccc2o1	409093704	BESTZMLULPFDEP-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccco1	870576	YARCBHYWWYHWMC-XDHOZWIPSA-N	402.406	3.780	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1	1052548	SWBMOOYYIVTSSO-UFWORHAWSA-N	411.643	3.573	50	40	HHGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	6803941	LDAOYKNIBWMXTB-FQEVSTJZSA-N	405.523	3.749	50	40	HHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C(Cl)(Cl)Cl	8150631	RIOATRPTDSZTEH-UHFFFAOYSA-N	408.496	3.670	50	40	HHGB	
Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)CCc3ccccc3)ncnc21	17121560	YWEHEZPXWUNQFD-UHFFFAOYSA-N	406.877	3.853	50	40	HHGB	
C[C@H](Oc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1)c1ccccc1	40129496	YGAQYFLPRVPYCC-JKSUJKDBSA-N	423.444	3.589	50	40	HHGB	
CC[C@H]1CCc2sc(C(=O)N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)cc2C1	96714123	UYSHMIZRXQVBFD-VVDDJIQESA-N	420.531	3.714	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)cc1	408589894	NILPCUCYOUPUJI-ZMOGYAJESA-N	405.454	3.524	50	40	HHGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(OC)c1	408798189	VDQGCJFWWDHJJI-QGOAFFKASA-N	407.470	3.874	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccccc1Br	408893799	FUMKMOCIKBJQGD-OQLLNIDSSA-N	401.260	3.819	50	40	HHGB	
O=C(N/N=C/c1cc(Br)ccc1O)C1(O)c2ccccc2-c2ccccc21	861669	KNSNIRQGEVSWLC-FSJBWODESA-N	423.266	3.521	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	1452846	PUZSLBCPDZAIDJ-NRFANRHFSA-N	402.454	3.806	50	40	HHGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1	5481554	PMUQRPDLNGVMIZ-UHFFFAOYSA-N	412.530	3.887	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	6044014	DKFSOKQEWUWMAS-ZMOGYAJESA-N	418.453	3.515	50	40	HHGB	
CCNC(=S)NNC(=O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1	7975450	BAVJPISGPAFSRJ-UHFFFAOYSA-N	411.556	3.611	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC	12275927	JPYLYXYLTRZCQL-UZUQRXQVSA-N	422.506	3.655	50	40	HHGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1	16758860	IJJYNJAKUSWLSA-FBKQIBBUSA-N	414.433	3.954	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	20240376	PERPUNLSURIFHE-OVVQPSECSA-N	416.500	3.912	50	40	HHGB	
Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1	100879248	PDNFNPBSCGHJEP-NDBYEHHHSA-N	415.125	3.730	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c(I)c1	408745395	RJSZRBUNAQSQEO-JYRVWZFOSA-N	404.207	3.851	50	40	HHGB	
Cc1c(Br)cc(/C=N/NC(=O)c2ccccc2O)cc1Br	409046186	JCNVJLSTTDZWAR-QGMBQPNBSA-N	412.081	3.990	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)cc1	2432438	ULSTXSHQQKSCFY-IBGZPJMESA-N	407.495	3.923	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1C	3090008	UOFUMEZSEMOJJK-AWQFTUOYSA-N	424.682	3.508	50	40	HHGB	
CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc21	5883372	PGLSVCHPARMBRZ-XMMPIXPASA-N	411.465	3.596	50	40	HHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)c1C	7961923	WZVAWHHTKDLBTC-GOSISDBHSA-N	416.477	3.763	50	40	HHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	9311319	CQGVYFBIGPOYCR-NTEUORMPSA-N	415.243	3.547	50	40	HHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	58883114	XZACEVZSQZOZII-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)o1	83295688	KMQHJKOKDOECCS-JMIUGGIZSA-N	410.342	3.541	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(Cl)c2)cc1	408794320	IUKIPFZNHQKFPI-XNTDXEJSSA-N	414.845	3.836	50	40	HHGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1435606	PVEXXFPIVDAIDA-DJKKODMXSA-N	406.236	3.503	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O	2407387	UPZMLEGEIHFAFN-SFQUDFHCSA-N	403.438	3.882	50	40	HHGB	
O=C(N[C@@H](CCBr)C(=O)O)OCC1c2ccccc2-c2ccccc21	2580851	WRUVVOOOVOSSKP-KRWDZBQOSA-N	404.260	3.763	50	40	HHGB	
CCOc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O	3077035	GNEYFNWQKSEICL-UFFVCSGVSA-N	421.291	3.699	50	40	HHGB	
CC1=C(C(=O)OCCCl)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1	4113689	QOYVYNZSSWRDFL-LJQANCHMSA-N	400.862	3.676	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(N(C)C)cc4)CSC3=C2C#N)cc1	6752522	NYBJJRXKNPWPNP-HXUWFJFHSA-N	420.538	3.981	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)CCc2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1	10891320	SVHYTDVZRLMFHT-UHFFFAOYSA-N	419.460	3.503	50	40	HHGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)c1cccnc1	29489683	KHRVDUDKBWMNLI-UHFFFAOYSA-N	417.856	3.663	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C)[C@H]32)cc1COc1cccc(Cl)c1	1107271	NMDFNKWTLVINMX-TUNNFDKTSA-N	424.888	3.657	50	40	HHGB	
COc1ccccc1C(=O)N/N=C\c1cc(Br)c(Br)o1	4567988	BDZMNOYIJBIEGG-APSNUPSMSA-N	402.042	3.577	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)c1	6281729	PJCCTVUOTORRLE-CVKSISIWSA-N	410.477	3.826	50	40	HHGB	
CC(C)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	7383510	PVFNCUJGMGGTOM-MRXNPFEDSA-N	412.511	3.740	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1cccnc1	9665477	AFUCIHTZIXUEDB-JJIBRWJFSA-N	422.510	3.653	50	40	HHGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)c1	12275887	QVOACBIUEPFOET-UTKZUKDTSA-N	412.898	3.992	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	20197315	LEOVCKZGNZJFGC-RGVLZGJSSA-N	407.264	3.716	50	40	HHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1	408809637	OMHJNZSHASHJBE-UPAIAECRSA-N	408.454	3.825	50	40	HHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cccc(OC)c2o1	409095220	GZDLMIYSRBZFOK-ZVHZXABRSA-N	423.469	3.823	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)ccc1Cl	409141897	CDPXCJLKIKUXHO-AOOMUMSASA-N	412.829	3.570	50	40	HHGB	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)CCC(=O)O)CC[C@@H]12	1888997698	JQDSGLIUUVQLER-YYVYWASMSA-N	402.535	3.647	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1	3765165	IUFFHSGMXPAUTR-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
Cc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5723272	NBURCQUYRPUOQB-UHFFFAOYSA-N	414.403	3.768	50	40	HHGB	
COC(=O)c1ccc(/C=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1	33147686	BYHWKPUXERTCEM-XYGWBWBKSA-N	403.482	3.847	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(O)cc1O	408744572	MCYQFLZPWZVVIK-SDQBBNPISA-N	420.206	3.557	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	408792778	CFGMVOCFDYOUSN-MHWRWJLKSA-N	424.840	3.693	50	40	HHGB	
CCc1ccc(OCC(=O)NN[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	3292471	PCVHFBPHLLRIFF-LBPRGKRZSA-N	410.301	3.583	50	40	HHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1	5718753	ILUFAGSCOBQOFU-GOSISDBHSA-N	407.495	3.796	50	40	HHGB	
Cc1cc(NC(=O)[C@H](NNC(=O)Cc2cccc3ccccc23)c2ccccc2)no1	10760252	QAQNBCZHFLHQTP-HSZRJFAPSA-N	414.465	3.680	50	40	HHGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C1c2ccccc2Oc2ccccc21	13007412	OUIDXBIZQDNMES-CQSZACIVSA-N	406.413	3.678	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)o2)ccc1Cl	101114719	YQSZMSHHARGSGS-NTEUORMPSA-N	410.813	3.609	50	40	HHGB	
N#C[C@H](C(=O)/C(=N/NC(N)=O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1	104286026	OUYYAJBHQYUTQD-IWIIAIJQSA-N	414.252	3.501	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)cc1	408769343	RLLVVZDTJULAIM-OYKKKHCWSA-N	405.454	3.740	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(=O)Nc1ccccc1	409008596	YLCWSWAMOQIIIB-LFIBNONCSA-N	402.362	3.889	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1	409309772	MFCKOPBKMZJFRB-QGZVFWFLSA-N	411.458	3.545	50	40	HHGB	
CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl	4698682	YOGLKTXGYICQNZ-MYSNOUKZSA-N	416.305	3.794	50	40	HHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1	6126434	MSWTZSMVNSXMLO-LPYMAVHISA-N	407.451	3.551	50	40	HHGB	
CCC(CC)=NNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1	19926259	DIBGMRYXXIFOKX-UHFFFAOYSA-N	407.923	3.828	50	40	HHGB	
COc1cccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	20274146	WIBLQBGRKGHVGG-BJKOFHAPSA-N	421.504	3.621	50	40	HHGB	
CCOc1ccc(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1OC	32904141	FGHZTKSPMXYRGF-UHFFFAOYSA-N	402.878	3.630	50	40	HHGB	
Cn1c(N2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)nc2ccccc21	79495282	CBNQONMCRKVJHC-MRXNPFEDSA-N	404.605	3.936	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408611238	QJJBIYUEDBISLK-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1OCc1ccc(C(=O)O)cc1	409187513	RKKNRKTWROWTDR-MFKUBSTISA-N	418.449	3.665	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OC	409382862	WRRWMCYXEGVOPJ-VGOFMYFVSA-N	404.264	3.917	50	40	HHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc(Cl)c1O	9614403	YYZIVDSTDMOWQN-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC	28217628	LSTNGECMHSUURI-AFUMVMLFSA-N	409.461	3.943	50	40	HHGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	33957926	BWWWVFOEDGKMRQ-SAHIIKMKSA-N	414.387	3.946	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1O	110132281	GNNZUSNYLGZLMY-UFWORHAWSA-N	405.819	3.941	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)c(OC)c2)N2C(=N1)SC(C#N)=C2N	408609051	YIPVUPXBWQXQBX-SFHVURJKSA-N	412.515	3.732	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408759848	MUPOIBZVLXFUMZ-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(Cl)c2C)c(OC)c1	4402162	ZMVKWSWKEHZCJP-FSJBWODESA-N	403.866	3.800	50	40	HHGB	
O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccccc2)c1N1CCC2(CC1)OCCO2	4475644	WMMTVDZXVWRRJF-UHFFFAOYSA-N	413.261	3.600	50	40	HHGB	
N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1c[nH]nc1-c1ccccc1	5729085	ATTQIAWVJJQYHL-OAQYLSRUSA-N	408.465	3.776	50	40	HHGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8811129	ZPYBEOQJIYUZMM-WSDLNYQXSA-N	404.850	3.695	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc2ccccc12	9263151	TXMACCRDMLXUCV-RGVLZGJSSA-N	416.218	3.914	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532853	CCUZTXYCFSHFSR-DDQAZAJHSA-N	403.394	3.626	50	40	HHGB	
CC1(C)[C@]2(C(=O)O)CC[C@]1(C(Br)Br)[C@H]2Br	100015318	KLQXPQPDNRXJMU-UAINPKIQSA-N	404.924	3.757	50	40	HHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21)c1ccccc1Cl	102433565	MPVDLCFHUZYRMQ-DAFNUICNSA-N	419.868	3.900	50	40	HHGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)[C@H]1COc2ccccc2O1	2341641	QWEPTHKTNYYZLW-WUKOTQDVSA-N	422.868	3.927	50	40	HHGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN(C)c3ccccc3)c2)cc1F	8172293	OJWCZPPGIUTCBC-UHFFFAOYSA-N	413.474	3.716	50	40	HHGB	
COc1cc2ccccc2cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl	13112363	OIVZBFILIGNCMJ-UHFFFAOYSA-N	419.264	3.995	50	40	HHGB	
O=C(CCn1ncc(=O)c2ccccc21)NN(Cc1ccccc1)Cc1ccccc1	32820599	KFCBOQBVUCDIRR-UHFFFAOYSA-N	412.493	3.520	50	40	HHGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1cccc(Br)c1	226336898	VUXULTDVLONQQG-AATRIKPKSA-N	411.683	3.693	50	40	HHGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br	408775273	GGEDZTROXWBWJX-WMZJFQQLSA-N	402.086	3.652	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	408820011	UQQRYCUYXARJIJ-PDGQHHTCSA-N	402.406	3.877	50	40	HHGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	714326	KTKGFCURVQXYKP-GOSISDBHSA-N	407.817	3.961	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	4550011	KEVFBDIPIKIZEY-VMTUJZNWSA-N	407.445	3.659	50	40	HHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OC(=O)c2ccccc2F)c1	9730576	JMTWXSWFPPTOSN-ZVHZXABRSA-N	421.384	3.646	50	40	HHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)ccc1O	12275273	APRSMWRSWICDEM-GAJHUEQPSA-N	422.506	3.743	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Oc1nc(Cl)ncc1F	15224547	GYMMRZPMCYDZRQ-AUEPDCJTSA-N	400.797	3.834	50	40	HHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1	16693874	LVCGLMBWDBSVSL-WQRHYEAKSA-N	421.840	3.743	50	40	HHGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1O	28217879	FGVSDLBQDLFZIB-YBFXNURJSA-N	409.305	3.796	50	40	HHGB	
CC1(C)O[C@H](C2SCCS2)[C@@H]2OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1	263611613	XHJRFPYLSPQHBB-VOAKCMCISA-N	406.642	3.628	50	40	HHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)OC)c3ccccc23)c1	408744392	FGDJCQAQDSKZGG-WJDWOHSUSA-N	403.438	3.759	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(F)c3)c3ccccc32)o1	409393666	RXSXHUCSODCNRO-BRJLIKDPSA-N	419.412	3.972	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	690892	SPWCNAXXIMDVBO-MBSDFSHPSA-N	414.509	3.666	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccccc1C	5095060	OKPMMNZHPQSWKC-NRFANRHFSA-N	402.454	3.832	50	40	HHGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)cc1	9306609	IXMFNWHPXJLMKF-XMHGGMMESA-N	400.456	3.513	50	40	HHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1	28215627	XQRBPJMPSPKSLV-BUVRLJJBSA-N	418.453	3.868	50	40	HHGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	58900629	NFBADGZWIYHRRF-FSJBWODESA-N	409.829	3.767	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)c1	409225652	NJJSWUBCYUSLFY-QRVIBDJDSA-N	419.393	3.592	50	40	HHGB	
O=C(c1ccc(OCCN2CCCC2)cc1)[C@H](Br)CBr	575359000	MFGIQCNWVREOAQ-CQSZACIVSA-N	405.130	3.502	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1	12275668	XZLGMBCYNSZLAJ-DYESRHJHSA-N	412.898	3.992	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	20248033	AWPWGQNKUFYMQY-RGVLZGJSSA-N	406.349	3.899	50	40	HHGB	
COc1cccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	20274143	WIBLQBGRKGHVGG-DNQXCXABSA-N	421.504	3.621	50	40	HHGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)c1cc(F)c(F)c(F)c1F)C2	102384073	IGSUYXJXTQEYRI-PUBUKGNVSA-N	400.372	3.718	50	40	HHGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	408840494	BPNMYDXOYQVEAF-WNMZHBESSA-N	413.433	3.831	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccco2)cc1	408848834	WHPKFHHPGDITLV-VXLYETTFSA-N	402.204	3.651	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408967946	SXGQFLJHXRYRTQ-LSHDLFTRSA-N	420.238	3.631	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	1435680	OGWORRXQAMFFAU-VULFUBBASA-N	405.429	3.916	50	40	HHGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1	2797528	PGKSTNKFGFAZNI-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)s1	7737937	DYFZSVAXECFKKA-LPYMAVHISA-N	402.483	3.522	50	40	HHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(O)c(OC)c4)cc3C2)cc1	32124807	AOXUESKRZRXYEL-MXAYSNPKSA-N	417.465	3.694	50	40	HHGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC#N	33927947	XUQPKAAMNRTXMT-QQXSKIMKSA-N	415.449	3.794	50	40	HHGB	
O=C(Nc1cccc(Cl)c1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408682690	GPTVDKGDUDWTKM-FMKRMDJBSA-N	405.075	3.503	50	40	HHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)s4)c32)cc1	718722	NSKLYFQNEZAPKD-CQSZACIVSA-N	412.858	3.796	50	40	HHGB	
N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	3304198	MTXGCZQSGMXLQT-RVDMUPIBSA-N	409.471	3.892	50	40	HHGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3Cl)c2)cc1	8372188	BVEBGSNTENGGMV-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408903997	CDLGRTXAGUJASI-KPSZGOFPSA-N	418.620	3.790	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	409005412	ILUSSZNHCAYDJW-MFKUBSTISA-N	417.465	3.671	50	40	HHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc2cc3ccccc3nc2s1	1399215	NKDKJZGKWTVQTJ-UHFFFAOYSA-N	417.899	3.726	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)cc(C)c1	12859602	LCOVCTBODZZOCW-SRZZPIQSSA-N	405.292	3.994	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\[C@@H]3C(=O)N(c4ccccc4)N=C3C)cc2c1	34688210	JWUZXKPNWRAZRQ-QRAWFLTRSA-N	404.426	3.586	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100988929	ABRAALGQSNSEKQ-UEIJICEPSA-N	418.305	3.905	50	40	HHGB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl	408528369	FVKIPEIWTWZACS-GDNBJRDFSA-N	403.269	3.843	50	40	HHGB	
C=CCOc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1	2081208	AFZCVACTUFQYPC-HADWXUJASA-N	403.276	3.932	50	40	HHGB	
C/C(CC(=O)Nc1cccnc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	4663000	WRCVCFSILYNPPD-MIDUAYCOSA-N	409.273	3.677	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	4944732	CJXLTNAFSIGWME-RUZDIDTESA-N	410.477	3.734	50	40	HHGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	6241070	JLHDLHSSRWDKRI-BUVRLJJBSA-N	419.506	3.947	50	40	HHGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	6413238	DDASZLXMDPNSBB-RQPHDYGFSA-N	406.534	3.973	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1cccnc1)c1ccccc1F	6796065	YAYCJAHGMGBDCX-YYADALCUSA-N	415.428	3.603	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1	11333526	PDSGMUPWJKORPV-UHFFFAOYSA-N	400.438	3.932	50	40	HHGB	
CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1	97940423	JBURVXXVHOMUNK-MRXNPFEDSA-N	407.580	3.961	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1	408587248	DZSHFKURWHILSI-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
O=C(N/N=C/c1ccncc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408865269	CMMRCZIHUMQCRD-RWOVVYLESA-N	416.506	3.620	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(OC)c1	408883293	PACFITVJOPTUPW-OQLLNIDSSA-N	401.260	3.690	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409342321	BNIXKRQIEZBLBY-YSURURNPSA-N	415.808	4.000	50	40	HHGB	
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1	1051973	ZJRBVSBVEOKHGE-MFKUBSTISA-N	416.433	3.903	50	40	HHGB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2O[C@@H]1C	2381568	SNOKPOBGFORGGR-SYTHGTOASA-N	401.507	3.892	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccs2)cc1OCC	4513489	ZJZSVLMFZOJMLH-KEBDBYFISA-N	410.879	3.506	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(N2CCCCC2)cc1	5898921	PJFWMSNJAZWCDH-HYARGMPZSA-N	416.319	3.969	50	40	HHGB	
Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1ccc(Cl)cc1	6008653	OSKIPTCOQOZGSG-ZHZULCJRSA-N	406.667	3.521	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(OC)c1	8473043	ONHGLOLPOISXSX-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	59224687	NJUPCHVOQPIORY-KPKJPENVSA-N	402.204	3.912	50	40	HHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	409007447	OVDQAUSZIWQLPB-XYGWBWBKSA-N	401.466	3.705	50	40	HHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409382991	SMEZKRAXALCMSH-SSDVNMTOSA-N	404.854	3.881	50	40	HHGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc12	793961	ROBXNPNKSRYSOS-SSDVNMTOSA-N	404.451	3.888	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	3193631	LOSARZLAJAULKL-FSJBWODESA-N	419.372	3.944	50	40	HHGB	
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCBr)cc1	6187517	WKSWMHGSAREQRB-QGZVFWFLSA-N	416.271	3.668	50	40	HHGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1	9014575	HKEKIIKBCNOPSH-QGZVFWFLSA-N	411.458	3.545	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1	16214843	LGOQYUJNYVCMPH-HBAGGBEISA-N	418.449	3.564	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1OC	108026932	FBGCUGKDBXUKMK-CIAFOILYSA-N	419.275	3.795	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(Cl)cc2)cc1	408769616	XIPMYOWLJMHJFR-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1	408799152	GVUOSOCYPDABJA-SFQUDFHCSA-N	415.287	3.698	50	40	HHGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2)cc1	408884959	WEJTWYBULDYQMV-XDEFOSFOSA-N	415.449	3.619	50	40	HHGB	
CC1(C)[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)[C@@H]1C=C(Cl)Cl	879629	FNDCVEXEZASGFE-CMPLNLGQSA-N	406.107	3.801	50	40	HHGB	
COC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O	4205339	AGBQRVBXHWRKNH-FYWRMAATSA-N	403.438	3.864	50	40	HHGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(F)(F)F)cc2)cc1	5840177	SRRZSRURHUDXIJ-UHFFFAOYSA-N	407.392	3.560	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(OCC(C)C)cc2)cc1OC	32565553	RUEVKZWJJIIFDK-MXAYSNPKSA-N	422.485	3.893	50	40	HHGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	58912428	FYQHXQHMEUEDFA-SSDVNMTOSA-N	409.317	3.719	50	40	HHGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(I)cc1	408887205	MNMVFSPSIQLFEJ-FMIVXFBMSA-N	419.178	3.745	50	40	HHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1	409002612	VRKNTSXVBBLDCJ-FYJGNVAPSA-N	400.504	3.825	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])c(OC)cc3OC)cc2c1	409186454	CFOWETURXSKTNI-NHDPSOOVSA-N	413.386	3.521	50	40	HHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NC(N)=O	409251271	UKZOSWFAIMPYSK-XGICHPGQSA-N	408.216	3.813	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)c1	4156943	JJRVIHWWZZMRLG-WUHRBBMRSA-N	415.125	3.730	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1	7609178	GWBDTWDWKUYXDR-KZVLXBEFSA-N	418.541	3.540	50	40	HHGB	
N#C[C@H](C(=O)/C(=N\NC(N)=O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1	8653149	OUYYAJBHQYUTQD-KFFOMANRSA-N	414.252	3.501	50	40	HHGB	
COc1ccc(/C=N\NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1	34118352	VPTIQEBJXAMJQM-VNAAUWNKSA-N	416.525	3.802	50	40	HHGB	
COc1cccc(CC(=O)N/N=C\c2cccn2-c2cccc(Br)c2)c1	409020975	WJAMPEQXRNPYSF-HMAPJEAMSA-N	412.287	3.941	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1	675021	AQGNJZBZPPJPEL-UHFFFAOYSA-N	423.513	3.662	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Cl)cc1Cl	4091310	YTULAVCOEUTPMM-LSHDLFTRSA-N	409.317	3.766	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118602	VDJGNEQALOECNS-XDHOZWIPSA-N	406.223	3.620	50	40	HHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567588	YRSXBPMLNHCWQS-SANMLTNESA-N	422.488	3.678	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)c1C	1097210	KXGKJRMXQRJUEA-MFKUBSTISA-N	403.482	3.882	50	40	HHGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(OC)ccc2O)sc(C)c1C	2248496	STIIUUKVFXQKDW-RIYZIHGNSA-N	400.456	3.802	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1	2651409	VUFIFPMHZVYZKN-FQEVSTJZSA-N	409.530	3.508	50	40	HHGB	
C[C@]1(C(=O)N/N=C/c2ccc3c(c2)OCO3)NC2(CCCCC2)Cc2ccccc21	28617458	QNAJUOXJYMDWOP-JKJLQIMHSA-N	405.498	3.629	50	40	HHGB	
Cc1occc1C(=O)NNC(=O)c1ccc(Oc2ccc(Br)cc2)nc1	40143017	DFOBHTUTYXFSKZ-UHFFFAOYSA-N	416.231	3.613	50	40	HHGB	
CN1[C@H]2CC[C@H]1C1=C(C2)C(C#N)=C(N)C(C#N)(C#N)[C@H]1c1ccccc1C(F)(F)F	103401552	FYLCOKQTCUVFEC-KHDYIWLOSA-N	409.415	3.736	50	40	HHGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408814255	SGXBPIYOIQNOPH-NDENLUEZSA-N	421.295	3.597	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408865302	CXZMMWKSGASPAQ-MKMNVTDBSA-N	401.806	3.618	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409188041	FHINPOSDDZVFQV-DHDCSXOGSA-N	420.893	3.646	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(OCC)c1	409361795	DZNNKSCBWUVXJM-WSDLNYQXSA-N	420.307	3.809	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1	657509	PCCUKAWEEKFHLK-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccccc1Cl	1512785	DPYRTJLXTNVLCV-RGVLZGJSSA-N	414.878	3.528	50	40	HHGB	
CC1(C)[C@@]2(C(=O)O)CC[C@]1(C(Br)Br)[C@@H]2Br	2278522	KLQXPQPDNRXJMU-DWFIKQFRSA-N	404.924	3.757	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cccc3ccccc23)cc1	14922577	XZUMUPPYKUEVJK-PCLIKHOPSA-N	405.454	3.748	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1	102065972	LALIOYDWYONTID-WYUUTHIRSA-N	421.516	3.766	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)N2CCOCC2)c1OCc1ccc(Cl)cc1	409082487	MHEYNCMBHYXLPM-AQTBWJFISA-N	412.873	3.693	50	40	HHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)cc2)cc1	14134503	DOMNOSKYQATBCV-AFUMVMLFSA-N	402.450	3.996	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cc(OC)ccc2OC)cc1	17082833	MTULQAVMFSBJRK-XNTDXEJSSA-N	404.426	3.648	50	40	HHGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3ccoc3C)nn2-c2ccccc2)cc1	40140390	UVYPQZDRYKWQKC-UHFFFAOYSA-N	416.437	3.524	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1	58913389	TYKDFWLCLQYBSI-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc3ccccc23)cc1	100071229	JIANHOCMRQAURV-CVKSISIWSA-N	402.454	3.933	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(C)=O	408761136	IEQUKWNLHQELTI-NTEUORMPSA-N	415.243	3.929	50	40	HHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)c1	3027245	VGCKWUAYSBMKKE-YYTNQIMQSA-N	404.422	3.736	50	40	HHGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1Nc1ccc(C)cc1C	5587906	BNCRAIYOMOYIQD-UHFFFAOYSA-N	419.481	3.896	50	40	HHGB	
COC(=O)c1c(I)c2ccccc2n1C(=O)C(C)(C)CCl	8762607	DKDGIKIRLCQMPM-UHFFFAOYSA-N	419.646	3.938	50	40	HHGB	
COc1ccc(C(=O)[C@@H](Br)CN2C(=O)c3ccccc3C2=O)cc1Cl	94992614	QJUOPEGORMEIMG-ZDUSSCGKSA-N	422.662	3.591	50	40	HHGB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408603361	GBNLORSGWICBEW-MRXNPFEDSA-N	418.906	3.685	50	40	HHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(O)cc1	409063787	ABQRREBICLKEKI-SAPNQHFASA-N	420.446	3.706	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccccc21	1477325	TWLRSOJMCHMXSZ-KEBDBYFISA-N	417.878	3.860	50	40	HHGB	
COC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)/N=C/c1ccccc1O	4718982	DMTDAYGSJBMKSW-IERINAHZSA-N	423.340	3.879	50	40	HHGB	
CC(C)c1ccccc1-n1ccnc1SCC(=O)NNC(=O)c1ccccc1F	12734776	UYPDZIPPFQWZKK-UHFFFAOYSA-N	412.490	3.688	50	40	HHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccccc2)c1C	408910260	JESSHDWZSNNTFB-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	2726795	MFUCCQMWUFAOOK-HZHRSRAPSA-N	424.478	3.535	50	40	HHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)c1C	7961922	WZVAWHHTKDLBTC-SFHVURJKSA-N	416.477	3.763	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Br)o1	8812620	LBKGGVSOQPVXSD-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)c3ccc(C)o3)c2n1	9336403	RAHXUDHEUCXRDR-UHFFFAOYSA-N	408.241	3.591	50	40	HHGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c1Cl	24036832	SRFGACUJUYCIAY-ONIJQZCMSA-N	414.636	3.961	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)cc1	408542040	JJXYYFHCIUTGMQ-ATVHPVEESA-N	416.389	3.977	50	40	HHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Cl)ccc1O	840399	JABCVYUBVFTBII-QMMMGPOBSA-N	403.649	3.581	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1C	1011017	QRGIEWNMOFYCMF-AFUMVMLFSA-N	417.465	3.790	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\C(Br)=C\c2ccccc2)c([N+](=O)[O-])c1	30684038	CDXOPSJONQQOJV-GCWDDWDASA-N	418.247	3.820	50	40	HHGB	
N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/C(=O)Nc2ccc(Br)cc21	39556010	QHRSPKZBKPVZME-SQFISAMPSA-N	402.635	3.970	50	40	HHGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)c2ccc(F)cc2)c(OC)cc1Cl	101535676	TZGXVBLMQKGZQS-FOKLQQMPSA-N	407.829	3.631	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)s1)C(O)(c1ccccc1)c1ccccc1	977691	BHBVFUDOPCRBMW-FYJGNVAPSA-N	415.312	3.897	50	40	HHGB	
CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OC(CCl)CCl)cc1	1085160	CNDIZXLFOQVLEW-DLBZAZTESA-N	400.302	3.996	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	1790287	BSBIPHRAZYTOQJ-UYPHOHSBSA-N	418.305	3.905	50	40	HHGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(Cl)c4)CC(=O)N32)c1	12275889	QVOACBIUEPFOET-DYESRHJHSA-N	412.898	3.992	50	40	HHGB	
C[C@@]1(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1(Cl)Cl	12554703	PFWUVJGTYBWDJT-IBGZPJMESA-N	415.280	3.642	50	40	HHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	20100798	ZIEXLVCQIRWXTH-PCLIKHOPSA-N	418.449	3.834	50	40	HHGB	
NC(=O)N[C@@H](CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1	25381942	SPGAAKNDOAYIOM-ZDUSSCGKSA-N	401.681	3.890	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)c(OCC)c1	35494403	CMUHAIHUPPBWIG-BKUYFWCQSA-N	405.292	3.939	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1	59104937	VAWVWANRYHLFOH-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1	100988933	ABRAALGQSNSEKQ-YZYPPFLQSA-N	418.305	3.905	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408610165	MOQSFCFVNDLBQM-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1C#N	409196259	UYJZJBDQBHHCFP-ZVHZXABRSA-N	405.479	3.900	50	40	HHGB	
Cc1cc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1Cl	989454	ZCTPSSOCDFGKTB-WSDLNYQXSA-N	412.833	3.876	50	40	HHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(I)o1	3115170	IJCRBXJPCMXAEV-YBFXNURJSA-N	404.207	3.730	50	40	HHGB	
Cc1nnc(NNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)nc1O	8855606	RIIQZAQLGBUIJZ-UHFFFAOYSA-N	412.862	3.573	50	40	HHGB	
O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1	9219680	PUKDJTVYKONQCW-UHFFFAOYSA-N	414.440	3.682	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1	16437495	RJGJXMBQYJHZEJ-OBXYEHHASA-N	410.445	3.615	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c(OC)c1	20029510	PPHNCDVCMDWNMF-KRWDZBQOSA-N	411.483	3.512	50	40	HHGB	
O=C(CCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1	31670097	VHFJBCKFUNLZLE-SEKXJNOLSA-N	405.285	3.764	50	40	HHGB	
C=CCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/NC(=O)Nc1ccccc1	33399546	QJEYSWUEBFCBOT-DARPEHSRSA-N	408.483	3.811	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCC(=O)O	59248131	VQNLJUQPESVZNC-WQRHYEAKSA-N	406.438	3.741	50	40	HHGB	
O=C(CCCCCCC(=O)NN=Cc1ccc(F)cc1)NN=Cc1ccc(F)cc1	4898677	VAGWLXOQQPUTRC-UHFFFAOYSA-N	414.456	3.906	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1	4959864	CDBRRSAMDOUKEA-FOKLQQMPSA-N	421.328	3.910	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Cl)c1O	6537286	HIXIGVBIZCKZES-UFWORHAWSA-N	413.655	3.676	50	40	HHGB	
COc1ccc2oc(C(=O)NNC(=O)COc3ccc(Cl)c(C)c3)c(C)c2c1	12943369	GEDAPGPXFJIMAS-UHFFFAOYSA-N	402.834	3.552	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1	408775458	SWZBJDZTUUZEJO-UHFFFAOYSA-N	407.923	3.664	50	40	HHGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1OC	1481056	PCHDHTNTJZUXDU-KSFYIVLOSA-N	402.450	3.912	50	40	HHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCCOc1ccccc1OC	4547494	XHNVMIFYLJCTMB-YDZHTSKRSA-N	421.881	3.597	50	40	HHGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(F)c3)cc2C1	7402912	IYFHRFOPNNZARL-CYBMUJFWSA-N	410.536	3.662	50	40	HHGB	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	9588116	FLTNENLHFAOVBT-KPKJPENVSA-N	417.324	3.513	50	40	HHGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\C=C\c4ccccc4)c(=O)c23)C1	16810055	HEEWGDIJMRSASK-XTQIDSGQSA-N	420.538	3.959	50	40	HHGB	
Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	19949532	GYZCGDXNOJRFPK-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)ccc1O	408996494	IGCWSQSOECZGLF-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NNC(=O)c1ccc(Br)cc1	879633	FNDCVEXEZASGFE-ZYHUDNBSSA-N	406.107	3.801	50	40	HHGB	
Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccn2c1C(=O)c1ccc(F)cc1	3335094	IRHQDHFWMOTNNG-VULFUBBASA-N	400.413	3.777	50	40	HHGB	
CCCCCC(=O)NNC(=S)NC[C@@H](Cl)Cc1cccc(C(F)(F)F)c1	4175642	PNHJNIJCIBOYRR-AWEZNQCLSA-N	409.905	3.931	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)o1	5460511	GJVDRGXRJKNERW-SRZZPIQSSA-N	411.418	3.648	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OC(=O)c1ccc(F)cc1	9633410	RRZDUEHJWAORBL-VULFUBBASA-N	421.428	3.616	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59201138	HQBOCRFGPSUBEJ-WUXMJOGZSA-N	417.805	3.820	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	103409061	KLNHUDNJKFVHCI-MFKUBSTISA-N	400.482	3.797	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C	408599290	RZZZYMFZPFPEDV-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408608152	GOQHQPJEHMACDC-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)c1	408875638	GOMPNRSGKRTXJB-UUYOSTAYSA-N	423.381	3.501	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(I)cc1	409360364	DZPJWZOYPUZORQ-DJKKODMXSA-N	413.646	3.507	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccco2)nnc1-c1ccc(Cl)cc1	1244922	CWEXJUPWZOUUKR-UDWIEESQSA-N	403.895	3.844	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1OC	2331977	BRLJCNOYHPSOLN-QGZVFWFLSA-N	407.495	3.923	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)ccc1OCc1ccccc1	3266742	CJMWXOWFILFELF-CVKSISIWSA-N	415.449	3.675	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N/N=C/c3cccc(OC)c3)cc2)c1	6449939	XZWRJIPNJXXBPT-FEZYOMQXSA-N	402.454	3.914	50	40	HHGB	
Cc1occc1C(=O)N/N=C/c1cc(O)c(Br)cc1Br	33404829	COPLKIFJUFQROG-OMCISZLKSA-N	402.042	3.583	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c(C#N)c1C	34837884	ARIDHPDPMBFOGZ-KSEXSDGBSA-N	405.414	3.848	50	40	HHGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	58912440	FHJQPNDHAIVZQN-SSDVNMTOSA-N	409.317	3.719	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OCC(=O)O	59249585	PHVHBXSWDFNGQE-FMCGGJTJSA-N	411.458	3.660	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)c1	107943238	SZBVQPBCSLLQBZ-YDZHTSKRSA-N	408.410	3.514	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc(F)cc1	800412	SXKHNZWMERDTNZ-HXUWFJFHSA-N	406.417	3.663	50	40	HHGB	
Oc1cc(O)c(CN(CCCl)CCCl)cc1CN(CCCl)CCCl	1719311	QFIVABSYDQOZBD-UHFFFAOYSA-N	418.192	3.657	50	40	HHGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1sc2ccccc2c1Cl	2419840	KTYUKJCUBQBVCE-GOSISDBHSA-N	418.858	3.676	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1	20060058	YMFJKANGPGEXFD-UHFFFAOYSA-N	407.923	3.664	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(N2CCCS2(=O)=O)cc1	26307308	JSUMDXZYHLZOJI-MRXNPFEDSA-N	400.591	3.879	50	40	HHGB	biogenic
Cc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	107948704	ZSLRLYYCTAGNLX-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408607008	BJTGDQPRWTXDMH-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	806474	CUPPENCVKJJUIF-KSFYIVLOSA-N	402.450	3.912	50	40	HHGB	
N#C/C(=C/c1ccccc1)C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1	3280157	CICWXIJQVUQGDH-RGEXLXHISA-N	415.424	3.773	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Br)c1O	7889933	MRZYJVAWSMIDEZ-CIAFOILYSA-N	414.259	3.718	50	40	HHGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)csc2C1	17087450	ABFBPAAUWNZRBG-CFVMTHIKSA-N	406.548	3.551	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC(F)F	44028686	FXZYGVCTHQBPDW-ACAGNQJTSA-N	403.337	3.824	50	40	HHGB	
O=C(NNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)c1cccnc1	46305706	ZUANHWDNHCPWSY-UHFFFAOYSA-N	416.268	3.526	50	40	HHGB	
O=C(NNc1ccccc1OCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1	408601130	ACVKZISXZSLXQL-LJQANCHMSA-N	401.466	3.762	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCc1ccc(C(=O)O)cc1	408965456	HPVHRTLYNSSKOZ-UUYOSTAYSA-N	410.451	3.798	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1C	409007240	NDFRPVGBBKZIQJ-CPNJWEJPSA-N	419.485	3.509	50	40	HHGB	
C=CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409147630	VOUUBRUXHOCGLR-QGZVFWFLSA-N	401.260	3.829	50	40	HHGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccc([N+](=O)[O-])cc1	1609737	KGFMXUAIPBNJBH-FYJGNVAPSA-N	409.273	3.643	50	40	HHGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	12364040	KEMWAMBUYVHVSR-CIAFOILYSA-N	415.402	3.681	50	40	HHGB	
CC1(C)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N=C(O)[C@@H]1C#N	13040907	CASSJQSZVHSZAR-JTQLQIEISA-N	419.850	3.791	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N)cc1OC	20348136	RHNBNBOHYYSOCX-INIZCTEOSA-N	401.532	3.765	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OC	59304206	AIEIDYIHVICKNA-KEBDBYFISA-N	403.232	3.976	50	40	HHGB	
COC(=O)c1ccccc1N/C(SC)=C(/C#N)C(=O)NCCc1ccc(C)cc1	67172698	QPCKGDLGPIRUET-DYTRJAOYSA-N	409.511	3.651	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccc1Br	101111834	RAJGTFATRXLKCP-SSDVNMTOSA-N	408.255	3.713	50	40	HHGB	
Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccoc3C)cc2)ccc1[N+](=O)[O-]	4504163	JCUGALGDHNPJOX-WSDLNYQXSA-N	407.382	3.788	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cc(Br)cs1	12377212	YUIPXZVYHMXTJF-CYBMUJFWSA-N	413.252	3.652	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)o1	33446075	RGWRWKZBNARLTN-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	58914170	BFZCUELHZLIUOP-YSMPRRRNSA-N	422.916	3.904	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OC	409116722	LDDBHYJLFKKMLD-FYJGNVAPSA-N	402.472	3.781	50	40	HHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1c(C)c(Br)c(O)c(C)c1O	1435437	OCWSOXMWRKQIAY-ODCIPOBUSA-N	421.291	3.623	50	40	HHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	1472255	STTXNQAFXQAORV-NRFANRHFSA-N	401.441	3.757	50	40	HHGB	
N#CC1=C(N)C2=CCCC[C@@H]2[C@@H](c2ccc(OC(=O)C(F)(F)F)cc2)C1(C#N)C#N	6188193	LQADSWHAFUBVEH-WMLDXEAASA-N	412.371	3.748	50	40	HHGB	
CN(C)Cc1ccc(-c2ccccc2CNC(=O)NNC(=O)c2ccccc2)cc1	29730007	DIVGRRCACDGXCV-UHFFFAOYSA-N	402.498	3.559	50	40	HHGB	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	33736131	BKVKJFPYKIFSNM-JYRVWZFOSA-N	419.315	3.702	50	40	HHGB	
O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccncc1	36387070	KGRFJAKWDMNHEC-UHFFFAOYSA-N	404.451	3.590	50	40	HHGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)c1ccccc1	58882823	AOFBICTULKJKKW-NAHYFOQLSA-N	401.466	3.707	50	40	HHGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1O	408815568	JUMYLZDVKJTKJP-AAWHYMEISA-N	401.260	3.948	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1	408838958	KTLAJJVKPGOGHC-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21	408898898	NJJIMKXOIPEWMQ-KPKJPENVSA-N	401.253	3.729	50	40	HHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OC)c2ccccc12	408914375	WNJKIBZBYAQVKJ-HUXSYLCKSA-N	419.481	3.656	50	40	HHGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	408979099	LGMVOEUFWSGWDO-KCOUNZPASA-N	416.437	3.606	50	40	HHGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1	409030815	FQBLGINSOUNECF-UNXSSPOQSA-N	412.445	3.780	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1C	855654	CKKCZFHZHMCNGT-YDZHTSKRSA-N	406.442	3.840	50	40	HHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cccc([N+](=O)[O-])c1	969258	OLWRYICFQAROHW-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cccc(F)c1	9190659	ONZOAVXNQKFJNF-ZMOGYAJESA-N	408.385	3.523	50	40	HHGB	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2nnc(/N=C(\O)c3ccccc3)s2)cc1	27664625	UGIHNVLBUGDASV-LFIBNONCSA-N	410.480	3.821	50	40	HHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	58883091	LEPAYEOSZOKMOS-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	58911710	OTKHTHZIMYBYHB-AFUMVMLFSA-N	408.889	3.514	50	40	HHGB	
COCCn1cnc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2c1=O	96115349	LPZLDRFRTRZEQT-HNNXBMFYSA-N	407.561	3.696	50	40	HHGB	biogenic
O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1	408996642	JPFXYMATVGIQFH-YTEMWHBBSA-N	411.461	3.813	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C)cc2C)c(OC)c1	1917794	TXYBKJRLXLQTBN-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
CCCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2Br)cc1	3175098	ZUBDVGIRWVCVOB-CIAFOILYSA-N	405.292	3.939	50	40	HHGB	
C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC	9204662	LRLZJPJAYFBFQK-HYARGMPZSA-N	415.287	3.553	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Cl)cc1	13979580	KOPREYSHFKQQDJ-UHFFFAOYSA-N	418.074	3.596	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1	16399776	HONQSRSWUSJYSC-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
COc1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)ccc1OC(F)F	652736	QJYAWIJKCDNEJU-UHFFFAOYSA-N	401.822	3.581	50	40	HHGB	
C[C@H]1CCc2sc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)cc2C1	3389852	MYGMCOUFKBBUOH-VIFPVBQESA-N	418.316	3.722	50	40	HHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C1CCCCC1	5394356	XXTVNHIBFCRKNV-UHFFFAOYSA-N	412.563	3.913	50	40	HHGB	
C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)NNC(=O)c1ccccc1	12875730	ACQJDWKXXJIDCB-LBPRGKRZSA-N	416.553	3.605	50	40	HHGB	
O=C(CCn1cnc2ccccc2c1=O)NN(Cc1ccccc1)Cc1ccccc1	32850718	XRIGLDYTICRREH-UHFFFAOYSA-N	412.493	3.520	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)c1	408591817	VJCQCFQPOMMWOX-AFUMVMLFSA-N	404.470	3.617	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)O	408792128	IHBJWSGFIUNEOM-VGOFMYFVSA-N	400.818	3.666	50	40	HHGB	
CC(=O)N/N=C/c1ccc(OCc2cccc(C)c2)c(I)c1	409008728	CHOLQYCMPNEJND-VXLYETTFSA-N	408.239	3.649	50	40	HHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	409115725	JZFPDGVQGARFJX-OEAKJJBVSA-N	413.543	3.531	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)n1	409233476	KRNCJMUFCKOGME-LSHDLFTRSA-N	424.482	3.602	50	40	HHGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1sc2ccccc2c1Cl	695611	NAIYQIVPQYEHGE-FBCYGCLPSA-N	403.803	3.956	50	40	HHGB	
Cc1ccccc1N1C(=O)c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C1=O	825454	UMHDXLVISDBEKR-UHFFFAOYSA-N	402.362	3.923	50	40	HHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2ccccc12	1425046	AVKUFVIPIGYSLQ-BGHCKBSUSA-N	408.454	3.783	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1	9960097	VZQVRPWQJSYLFJ-DELQEKLWSA-N	420.252	3.874	50	40	HHGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCCN1CCOCC1	16791090	IWGHDRYSEBMEBT-KAMYIIQDSA-N	420.296	3.609	50	40	HHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1	20785378	PCKOVTOJUZLOHZ-KOEQRZSOSA-N	402.498	3.695	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc1	409227744	WAFVXNYURKBCBK-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)Nc1ccccc1C	33415135	PWTAKTRLSHJYKI-QRVIBDJDSA-N	423.494	3.847	50	40	HHGB	
Cc1c(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C	40139691	DBDZVGUNVBQHDN-RGEXLXHISA-N	416.481	3.817	50	40	HHGB	
NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12	226767491	MCAYFVRBGBCMBF-UHFFFAOYSA-N	424.800	3.755	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C	408592603	ZRRMCJBCDHTFNX-FOKLQQMPSA-N	420.425	3.803	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OCC)c1	848224	CNZDICDSVDCHSH-SFQUDFHCSA-N	424.453	3.581	50	40	HHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1	1102357	QYLFTFCENDEXNQ-GOSISDBHSA-N	408.479	3.510	50	40	HHGB	
COc1ccc(C2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc1	1305793	NZDAVXZOHRTPKW-QFIPXVFZSA-N	420.900	3.822	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCc3ccccc3O)cc2)cc1	3145006	KJBPWPQNLVMOKF-PCLIKHOPSA-N	418.449	3.703	50	40	HHGB	
CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1cccs1	4309129	FDTJFWDYIFZYJX-UHFFFAOYSA-N	408.512	3.960	50	40	HHGB	
C/C(=N/OCC(=O)NNC(=O)c1ccccc1Nc1ccccc1)c1ccccc1	5516857	RPSHAUNSMLGWIG-PKAZHMFMSA-N	402.454	3.632	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1OC	12275926	JPYLYXYLTRZCQL-GAJHUEQPSA-N	422.506	3.655	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1O	58854543	ZYAXCEIEKZXXBY-HMASQMOLSA-N	423.332	3.935	50	40	HHGB	
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408688108	VSSPDWDNOWXQGH-JMCDZUJHSA-N	412.283	3.863	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)OC	408793342	DZPXLVGVVHBTQA-WOJGMQOQSA-N	408.454	3.800	50	40	HHGB	
N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)N1CCN(c2ccccc2)CC1	408850792	RFUGXJDNNWBEIC-ZZEZOPTASA-N	404.514	3.916	50	40	HHGB	
CCc1ccc(OCC(=O)NN[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	3292473	PCVHFBPHLLRIFF-GFCCVEGCSA-N	410.301	3.583	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c1C	5674885	HDCFHKQXXMXINU-OQLLNIDSSA-N	406.891	3.799	50	40	HHGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccc(F)cc1	10059583	FYGDNHBICHJENA-WSVATBPTSA-N	416.044	3.820	50	40	HHGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1	408709330	ZSNFUKDVCJQWIT-JMKVTYIUSA-N	416.909	3.847	50	40	HHGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(O)c(I)c2)c1	408905155	UMEGOPGYUNGUIS-NVMNQCDNSA-N	409.227	3.769	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(O)c(OC)c4)CC(=O)N3C2)cc1	9693236	HGLQMTNHSYVQDW-QGZVFWFLSA-N	423.494	3.629	50	40	HHGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc2c(c1)OCCCO2	19598636	NYZVEIBRPVHLGS-UHFFFAOYSA-N	400.500	3.643	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]	408744983	OKPMFFRCCCGUGN-WQLSENKSSA-N	402.204	3.912	50	40	HHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	408802791	HLIGWXHUFUGVOK-QGOAFFKASA-N	407.470	3.534	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)o2)cc1	408809933	IFJFMJOBBWYRSP-UYRXBGFRSA-N	416.433	3.965	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1	409232300	PYNORYIKDKPTFZ-MLPAPPSSSA-N	420.252	3.683	50	40	HHGB	
COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCBr	2180173	HTDTVAQDNZWASE-PTNGSMBKSA-N	402.244	3.813	50	40	HHGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1	5516969	KIKJSQPWBJGNFW-AFUMVMLFSA-N	409.877	3.697	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	30814072	IKAYNQAHKOMEGX-FMCGGJTJSA-N	406.398	3.863	50	40	HHGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1	33546962	RNKZZPRLGITILV-OYKKKHCWSA-N	401.426	3.567	50	40	HHGB	
COC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	58882660	MPMOIWVJQXGHKR-XYGWBWBKSA-N	402.450	3.521	50	40	HHGB	
COc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)ccc1I	408748043	XMAIGFRHKPKNDO-GIJQJNRQSA-N	414.630	3.717	50	40	HHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1O	408752581	IIAWTTCAYFCMOI-ZVBGSRNCSA-N	401.182	3.866	50	40	HHGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(OC)cc2nc1Cl	4168438	CVUGRWWZFGXLMC-GOSISDBHSA-N	411.845	3.708	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	5631882	BPKQHYFNVMYCCA-LPYMAVHISA-N	400.866	3.611	50	40	HHGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1	6243995	KQMBFKABPXMICW-ZVHZXABRSA-N	412.405	3.990	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O	16195071	VEEDTTCUONDWGC-WDZFZDKYSA-N	418.203	3.617	50	40	HHGB	
CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC	30743121	FXZUKJCZIIMXJB-UCQKPKSFSA-N	423.542	3.915	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1	57058941	VPTIQEBJXAMJQM-OJLHXUGZSA-N	416.525	3.802	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1	58883460	PBQVUFGGKJJVFQ-CIAFOILYSA-N	402.292	3.835	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc2ccccc2c1	100522787	BRSJJDHCYHZVQP-MFKUBSTISA-N	403.438	3.746	50	40	HHGB	
CCN(CC)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1	408760669	CRECOECJOFWHGC-XDHOZWIPSA-N	408.454	3.748	50	40	HHGB	
O=C(N/N=C/c1cccnc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	408829107	KNVPMESDQAFPCV-RWOVVYLESA-N	416.506	3.620	50	40	HHGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)c2c1	871132	ZXPPDTLWILNLRO-YDZHTSKRSA-N	408.527	3.860	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c(OC)c1OC	6993250	YKDAFDSOWBVCOG-UHFFFAOYSA-N	418.515	3.508	50	40	HHGB	
Cc1ccc(N(C(=O)CCCl)[C@H](C(N)=O)c2ccc(Br)cc2)cc1	26895916	XQCUDLTYTOIRRS-KRWDZBQOSA-N	409.711	3.946	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1O	33352519	DJDZDPWKJJTCKP-ATVHPVEESA-N	411.889	3.700	50	40	HHGB	
COC(=O)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	100280489	PIRCADUPQLPJGJ-JMIUGGIZSA-N	401.216	3.746	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1	103134732	BOSLRKGPSWBXFT-VKAVYKQESA-N	407.474	3.550	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br	107595631	LXODHGQQMMJMGU-RGVLZGJSSA-N	404.264	3.570	50	40	HHGB	
COc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408852278	RODSQJFBLLGZSC-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2	575617339	SMJGSLGGBZYFOB-RYUDHWBXSA-N	408.515	3.733	50	40	HHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O	842719	DUTHABWPSXEKRP-OAHLLOKOSA-N	419.275	3.614	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)c1OC	5721097	NWSYIOIUFDYCGV-LPYMAVHISA-N	409.467	3.782	50	40	HHGB	
O=C(NNC(=S)NCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12	6589778	FFQQSDSGLNXMGT-UHFFFAOYSA-N	413.506	3.606	50	40	HHGB	
COc1ccc(CC(=O)N/N=C(/CC(=O)c2cccs2)C(F)(F)F)cc1OC	8209494	LVEDITXAMXQYHG-JWGURIENSA-N	414.405	3.615	50	40	HHGB	
Cc1c(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)oc2ccccc12	20629139	NUWJGRPHJHDAKV-UHFFFAOYSA-N	405.284	3.733	50	40	HHGB	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=N\NC(=O)c1cc(Cl)ccc1O	31870914	FUDSOSBTJOGGCU-QFEZKATASA-N	409.877	3.752	50	40	HHGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1	100522657	WCSHIWNRVNANLY-YZSQISJMSA-N	403.482	3.590	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408612426	VIVHCBJTDVWDNT-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1Nc1ccccc1C	408709101	XPZHDLJXLXHVFF-BUVRLJJBSA-N	402.454	3.836	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccccc2)c(OC)c1	4422477	FJDGIWPEZYWYSY-XDJHFCHBSA-N	420.465	3.669	50	40	HHGB	
Cc1ccc2nc(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)cc(=O)n2c1	5429240	DGEGFMDEAPNBJX-AWQFTUOYSA-N	418.497	3.728	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1	5720869	CSWOMPGDBSUYKH-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)o2)c1	8811006	JPIVBHPQKXYDGW-ZVHZXABRSA-N	422.437	3.904	50	40	HHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@@H]2C)c1	34864327	IQKLIKQKJBTCDX-YUCJCZDXSA-N	415.515	3.792	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1C	408535269	YGDFTLASLHUKHD-VULFUBBASA-N	418.497	3.751	50	40	HHGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C	409216887	PMLYQOZGPIGMGI-QRVIBDJDSA-N	406.442	3.957	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)ccc1O	3150461	RGEALPISOTTWKE-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]1c1ccco1	23409258	GFPXTAGUTUVQKD-FHWLQOOXSA-N	401.447	3.515	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)c1OC	59471546	MKVQAJWWMLMMMM-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cc(Br)cs1	100214912	YUIPXZVYHMXTJF-ZDUSSCGKSA-N	413.252	3.652	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(C)cc2C)c2ccccc21	216046897	RMTDSXSHXQRPAQ-AFUMVMLFSA-N	405.498	3.822	50	40	HHGB	
COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)sc2c1CCCC2	408772212	CPMLJFVGVKOORN-WJDWOHSUSA-N	411.527	3.816	50	40	HHGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408812083	BBNKBZRZOMEXOO-STZFKDTASA-N	416.477	3.668	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1O[C@@H](C)C(=O)O	409020718	SJJCXNFFRKTFOH-ZOCVZFIWSA-N	416.817	3.711	50	40	HHGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OC	409326773	NYZZAWRGZOJUKK-JLPGSUDCSA-N	410.470	3.987	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCC	8811164	XAVONGKRDXBJKD-WSDLNYQXSA-N	406.866	3.919	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1O	408725531	JRCQFOFWXLMNJA-WZUFQYTHSA-N	418.203	3.617	50	40	HHGB	
CCc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1	408788924	GMKWZAALZOZDNC-UHFFFAOYSA-N	413.543	3.881	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(O)c1	409390147	BTMUHRDHGPWDPI-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1	1792008	FYQNVIOOOFIIKW-GHRIWEEISA-N	407.426	3.946	50	40	HHGB	
C=CCN1C(=O)/C(=C\c2ccc(OCCBr)c(OC)c2)SC1=S	5201070	DKXLVVIWJYTCHT-GXDHUFHOSA-N	414.346	3.856	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)cc1	6297612	SGQVESPGJYPYOZ-CVKSISIWSA-N	418.497	3.833	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccccc1F	33547883	AAQGPUWLPUTKOU-GHXNOFRVSA-N	423.181	3.958	50	40	HHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Br)o1	408735638	UQPCTFNUXHPLNL-SSDVNMTOSA-N	424.254	3.661	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	408745632	UMOYONJVDLSNFC-ATVHPVEESA-N	424.453	3.581	50	40	HHGB	
COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3ccccc3)ccc2OC)cc1	408889416	GLHQUQHTQVTXGH-BUVRLJJBSA-N	404.422	3.687	50	40	HHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1sc2ncnc(N)c2c1C	408972374	BBUALVZGEKIDFQ-KIBLKLHPSA-N	405.483	3.898	50	40	HHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCOCC2)c(F)c1	409139045	LSUYLFHTUQJJNF-SXGWCWSVSA-N	401.445	3.671	50	40	HHGB	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409237081	IOURLWROJUXGGL-ZROIWOOFSA-N	404.344	3.803	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1I	409360916	GCJIORLYYSHAIA-DJKKODMXSA-N	413.646	3.507	50	40	HHGB	
O=C(CO)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12	4525867	QQLLIZFDKAFRPU-SSDVNMTOSA-N	413.271	3.624	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1	12275671	XZLGMBCYNSZLAJ-UTKZUKDTSA-N	412.898	3.992	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c1	33827235	LCPKKAQZTOLWSJ-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C	408598690	INCJJTMFNYJMEF-WSDLNYQXSA-N	421.413	3.983	50	40	HHGB	
Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	408778680	WKALFIZPLIGTAU-UHFFFAOYSA-N	419.934	3.890	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCCCC2)o1	408996090	KXHTUECOPXASBQ-UDWIEESQSA-N	402.476	3.562	50	40	HHGB	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=N/NC(=O)c1cc(Cl)ccc1O	1648036	FUDSOSBTJOGGCU-AFUMVMLFSA-N	409.877	3.752	50	40	HHGB	
C=CCc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c(OC)c1	4549492	HDXUUWSHOYQWLP-YDZHTSKRSA-N	403.866	3.537	50	40	HHGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cccs2)cc1	12783775	MVUNPWBSWQNHFY-UHFFFAOYSA-N	423.494	3.862	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C\c1ccc(N2CCCC2)cc1	38193701	OQRSIVSYEZSKGS-BKUYFWCQSA-N	402.292	3.822	50	40	HHGB	
CC(C)c1cc(C(=O)NNC(=O)c2ccccc2Br)nn1C(C)(C)C	40140087	QADBYJXAJHFBCJ-UHFFFAOYSA-N	407.312	3.599	50	40	HHGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1	409210076	HYMRCZFWMYXKIH-LIMNOBDPSA-N	421.335	3.529	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c(OC)c1	1434150	LUOIIJUWFQVVAR-AFUMVMLFSA-N	421.428	3.859	50	40	HHGB	
Cc1cc(N2CCOCC2)ccc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12	4739710	QWVYRENZLWHVHY-RCCKNPSSSA-N	414.509	3.579	50	40	HHGB	
Cn1cc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21	5593499	KWXUGDOZGCMSAV-WNAAXNPUSA-N	408.461	3.859	50	40	HHGB	
CCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	8083854	YXFMQHNGMXBSQC-LTNVFZTJSA-N	414.303	3.515	50	40	HHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1CC2	8781772	DSRRZNGPQVGZCP-UHFFFAOYSA-N	418.927	3.790	50	40	HHGB	
O=C1Nc2cc(Cl)ccc2Oc2ccc(NS(=O)(=O)CBr)cc21	8961400	KLGVHJAVCBDSKC-UHFFFAOYSA-N	417.668	3.792	50	40	HHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(OC(F)(F)F)cc1	20086107	RJABGLQZWGTKOG-MRXNPFEDSA-N	413.355	3.655	50	40	HHGB	
CCn1c(SCC(=O)N/N=C\c2cccc(OC)c2)nnc1-c1ccc(C)cc1	30743136	SWQWYYGOJIPNSC-XKZIYDEJSA-N	409.515	3.524	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC#N	33669016	XUVLHEOKLLSZHL-MFKUBSTISA-N	402.454	3.769	50	40	HHGB	
Cc1c(/C=C(\C#N)C(=O)NCCOc2cccc(Cl)c2Cl)cc(C#N)n1C	56340266	SITNMDWXRWKGHF-RIYZIHGNSA-N	403.269	3.614	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1	408968445	YWKLXLQQRAWMAV-DHRITJCHSA-N	422.412	3.875	50	40	HHGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(C)=O)c1C	942009	WIPHHLZJEZNZFR-XNTDXEJSSA-N	412.467	3.990	50	40	HHGB	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	3311223	DKBUJACBCADDAP-CPNJWEJPSA-N	412.461	3.863	50	40	HHGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)Cn3cnc4ccccc43)c2Cl)cc1	5688955	AQAORAKYNALYCM-BHGWPJFGSA-N	406.877	3.643	50	40	HHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	9202054	SESDTWNKXGLBHG-CIAFOILYSA-N	401.260	3.542	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2sccc2-c2ccccc2)cc(OC)c1OC	9603663	SIGDJTIZGKYNSZ-UHFFFAOYSA-N	412.467	3.516	50	40	HHGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	33330766	OTJUXPIAEJWXIP-FMCGGJTJSA-N	420.425	3.646	50	40	HHGB	
O=S(=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccn1)c1ccccc1	102131449	HIGNZVSJWXFOQJ-UHFFFAOYSA-N	418.458	3.948	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)O	408789732	KOQPPSZIHNHSCW-VIZOYTHASA-N	414.845	3.975	50	40	HHGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1	409390915	GFURUULGWSBJLT-UQQQWYQISA-N	413.433	3.889	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)n1	40145238	JQUXANKWDMMKKV-UHFFFAOYSA-N	414.263	3.800	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1Br	58915702	OMJDJHNQCUNGRW-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
COc1cc(C)c(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1OC	408547955	BBAJAWDBIPDWEE-JMIUGGIZSA-N	401.513	3.864	50	40	HHGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1	408857766	MNEQTSMPOPLVJH-ODLFYWEKSA-N	408.454	3.748	50	40	HHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cc2cc(Br)ccc2o1	408941704	KCDLXGMOIDBBCL-LSCVHKIXSA-N	404.176	3.573	50	40	HHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408995253	LMYHHIKCCXNTHV-DQAKUKQTSA-N	406.895	3.945	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409244711	HPTIKYGDDVQGNB-UUYOSTAYSA-N	421.266	3.854	50	40	HHGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C#N)C(=O)N1	5707658	GWJALLZLTMQVDE-DYVFJYSZSA-N	403.891	3.505	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC	38658459	UKLFTFFNIJGVOI-NRFANRHFSA-N	418.405	3.734	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1	83317344	KYMFCEQFDPNZLV-LSCVHKIXSA-N	412.081	3.990	50	40	HHGB	
CC[C@@H](c1cccc([C@H](CC)[Si](OC)(OC)OC)c1)[Si](OC)(OC)OC	220699706	QBJCTMPFQNLSMC-ROUUACIJSA-N	402.636	3.508	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1O	408997865	OMYFOCXRKXMEPL-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1	409004206	BCXBVMPICFGQCJ-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Cl	409312468	LSAPHXKFAQSVAF-UCQKPKSFSA-N	400.862	3.913	50	40	HHGB	
COc1ccc(C(O)(C(=O)NNc2cccc(Cl)c2)c2ccc(OC)cc2)cc1	778173	HHAPXOFNKUKNMR-UHFFFAOYSA-N	412.873	3.736	50	40	HHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1	829279	CIIISYOCWXMQBU-YDZHTSKRSA-N	414.527	3.791	50	40	HHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	831175	SUYPSLSZGLAWPM-YXZFXQPTSA-N	407.289	3.809	50	40	HHGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	2118088	SJXNBUDCKSYRTI-LJQANCHMSA-N	404.422	3.809	50	40	HHGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(Cl)ccc2OC)cc1OC	5634373	ZCKKMVCYUGJWIK-KSEXSDGBSA-N	414.849	3.520	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	5924070	VGTGDAGTYUVNSH-LJQANCHMSA-N	416.437	3.812	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)c1	8811008	HVUUBPMXRQDTGO-SSDVNMTOSA-N	413.361	3.775	50	40	HHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)cc1	8971964	DDQZMSFBPKZOGA-LJQANCHMSA-N	422.506	3.901	50	40	HHGB	
O=C1C[C@@H](C(=O)NN(Cc2ccccc2)Cc2ccccc2)c2ccc(F)cc2N1	32879871	PDQGHXLTWVQGLI-OAQYLSRUSA-N	403.457	3.985	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1C	58912921	GTDFDAAQSKHYBP-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)c2C)cc1	408589669	MPAYBFYSJVBEGV-YDZHTSKRSA-N	422.441	3.783	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OC)cc1	408808774	FLAUVZQXNZZEEW-DHDCSXOGSA-N	401.260	3.690	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OC	408877925	YELKJDWCXGNYSO-STCDJXRXSA-N	402.472	3.612	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)o1	409351711	AGXJYVLCETYEEX-FOKLQQMPSA-N	412.377	3.565	50	40	HHGB	
C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)CCCl)CC4)c23)C1	4218020	QWXLWVLSGYUOID-ZDUSSCGKSA-N	418.994	3.971	50	40	HHGB	
O=C(N/N=C/c1ccc(O)cc1)C1CCN(Cc2ccc(Br)cc2)CC1	5634102	UMLUGHMRWGNYAU-LPYMAVHISA-N	416.319	3.517	50	40	HHGB	
Cc1ccc(SCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	8515192	ODYQWJFWQMOWBK-UFWORHAWSA-N	407.289	3.729	50	40	HHGB	
N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)NCCc1c[nH]c2ccccc12	408956076	VWAASUZSLKDKKS-AUWJEWJLSA-N	410.817	3.701	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1	409238000	YKEYRQGHEGWDDF-WSDLNYQXSA-N	409.471	3.640	50	40	HHGB	
COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1O	409390209	BZMPZTPXYUOVMD-UCQKPKSFSA-N	405.410	3.591	50	40	HHGB	
COc1ccccc1C(O)(C(=O)NNc1ccccc1Cl)c1ccccc1OC	778186	WSJLFAYAUPPZIK-UHFFFAOYSA-N	412.873	3.736	50	40	HHGB	
O=C(CSc1cccc2cccnc12)N/N=C/c1cc(Br)ccc1O	2286655	FSQQKZLVJQXRJS-UFFVCSGVSA-N	416.300	3.945	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1	2345945	RCQGWPFTQRQYOL-QFIPXVFZSA-N	413.477	3.822	50	40	HHGB	
CC(C)CNC(=S)NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1	2794676	BVYGQLGBOSBFAP-UHFFFAOYSA-N	403.548	3.921	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	8372166	FOQTVIAWDKHLRN-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8398750	VTLUOYOJJPBRAG-MRVPVSSYSA-N	415.189	3.720	50	40	HHGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1cccc(C(F)(F)F)c1	13137501	MXVNPSSNDADVBF-NYYWCZLTSA-N	405.288	3.888	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1OC	20029503	OYIIVZCSKQRJOY-GOSISDBHSA-N	421.522	3.919	50	40	HHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	27757575	WBKPDJYZJCOVFW-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
Cc1cccc(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)c1[N+](=O)[O-]	31657762	DXJSAZSVQBOSLX-UHFFFAOYSA-N	407.810	3.985	50	40	HHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	169879791	FTWSPGPJNQHZPR-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	408973072	YIGGAPZEFHIWCJ-LSHDLFTRSA-N	402.237	3.941	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1	409369390	LZXZFIGTCAEUJL-LFIBNONCSA-N	408.414	3.710	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	1888634	OTYOABZZLQODGZ-SWEXZPIWSA-N	415.877	3.651	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	2744132	XKPGOYOJJXAAIC-WUXMJOGZSA-N	401.216	3.732	50	40	HHGB	
Cc1n[nH]c(Sc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])n1	3766998	XKCYNMCTANGUQO-DJKKODMXSA-N	416.850	3.590	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)c1	9012980	DVAYOEBNKFVIOB-SFHVURJKSA-N	407.495	3.714	50	40	HHGB	
C/C(=N/NC(=O)CCSCCC(=O)N/N=C(\C)c1ccccc1)c1ccccc1	17287370	YJVSXSSWQZKPNG-QFFDILLMSA-N	410.543	3.581	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1	105063950	PJIPAARCYQBCJW-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1OCC	409319841	MMPNLSWWPFCSAR-UUYOSTAYSA-N	404.850	3.782	50	40	HHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OC(F)F)cc1OC(F)F	3226202	VZWHRFZOMQJHAW-KTZMUZOWSA-N	403.307	3.591	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(F)c1	16399876	BHXABZNKFKSBAE-DHRITJCHSA-N	418.384	3.948	50	40	HHGB	
Cc1cccc(NCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)c1	18179025	OZPDYHNZNOWWCZ-ZZIIXHQDSA-N	412.493	3.517	50	40	HHGB	
O=C(NNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccc1	40140158	QQAGHNXGLBSZLD-UHFFFAOYSA-N	415.243	3.696	50	40	HHGB	
Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c1C	408856677	KMWVGPWNXGDLOK-JAIQZWGSSA-N	421.295	3.651	50	40	HHGB	
COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccccc1	408880814	HOIYQWKNQMTXJP-KEBDBYFISA-N	411.683	3.726	50	40	HHGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3C#N)cc2)C2=C1CCCC2=O	409140453	FHNJMPIYAYHRQN-HSZRJFAPSA-N	410.477	3.867	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1C	409196189	UHNKZRZECQJLBU-BUDOKORBSA-N	408.458	3.513	50	40	HHGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])cc1	409227508	ZAHATAQLYMLCCQ-UCQKPKSFSA-N	403.394	3.886	50	40	HHGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3ccoc3)c3ccccc3n2)cc1OC	12768165	PSQGUJUVUQNJTB-UHFFFAOYSA-N	417.421	3.587	50	40	HHGB	
Cc1cccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c1	17092384	VSDREZRPHUBAIT-UHFFFAOYSA-N	420.542	3.663	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)n1	44395407	FRZDNNZVBWKVRH-DNTJNYDQSA-N	418.320	3.580	50	40	HHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C	408591455	UAHANHFJNCIQFN-BRJLIKDPSA-N	404.470	3.693	50	40	HHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1Cl	408602542	CIGMSEFXUGSDSX-INIZCTEOSA-N	401.923	3.593	50	40	HHGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)c(C)c2)c1C	408777711	GRBZMIKGXXNZLV-DHDCSXOGSA-N	419.266	3.660	50	40	HHGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	409188115	ASLDHCCMWXARCI-SRZZPIQSSA-N	419.275	3.543	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	409207624	YZBSLBUUVMQAOV-GQBLCDNYSA-N	401.426	3.760	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)cc1	658113	BSTDASIDVRGNDY-BUVRLJJBSA-N	404.422	3.687	50	40	HHGB	
CCOc1ccc2cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c(Cl)nc2c1	821741	XILIGVVXWSFHOZ-WSDLNYQXSA-N	412.833	3.888	50	40	HHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)CC1	5613628	SZTUDXJZLCBSTO-UHFFFAOYSA-N	413.971	3.815	50	40	HHGB	
CCOc1ccccc1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	7208075	TUGFIFAXHSRPQA-KNTRCKAVSA-N	401.470	3.567	50	40	HHGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)cc1	9171234	VDHBFQZNOIFUDW-KRWDZBQOSA-N	422.510	3.516	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408612636	WHZKBRUPAPBGIR-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCC#N	408815870	VLWWDNGBVUJSRM-MOSHPQCFSA-N	417.465	3.558	50	40	HHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	409236485	SDDBYWCMTOLACO-QFEZKATASA-N	406.413	3.796	50	40	HHGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1Br	33707241	AOIPCGKLLQSOQT-XFFZJAGNSA-N	417.175	3.811	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	408779759	JXWIJWXLZUHYQV-CJLVFECKSA-N	421.950	3.539	50	40	HHGB	
O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	408813174	PUTIOCVQPNYCIR-WNFQYIGGSA-N	407.209	3.967	50	40	HHGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)N1CCCC1	409370682	AGYMYEPYYZFNHF-GHRIWEEISA-N	416.456	3.948	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccco1	1791016	FZGBDXFRCBYHCI-LFIBNONCSA-N	406.394	3.714	50	40	HHGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)c(Br)o2)c1	3153463	MVOUDNHUBQOUTC-CNHKJKLMSA-N	415.085	3.675	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1	16214847	LGOQYUJNYVCMPH-RWOVVYLESA-N	418.449	3.564	50	40	HHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(Br)cn1	16693934	UPPCEOWNAYOCDH-BOPFTXTBSA-N	423.270	3.549	50	40	HHGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1ccco1	30843526	LMFXDWVLDYDSPR-CFRMEGHHSA-N	422.437	3.653	50	40	HHGB	
O=C(CCCCCC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31829194	RECKJFNRIVPJHM-MQDDAKQZSA-N	400.429	3.516	50	40	HHGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1	107683728	HOCHCSRSVOIQAN-WSDLNYQXSA-N	416.478	3.885	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408608654	IAPRZPVGGIIHPS-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408791986	GFOCTUTVWGJRTK-WUXMJOGZSA-N	421.236	3.796	50	40	HHGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	408908329	BTERFTSBCXYDRH-FSJBWODESA-N	420.425	3.773	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409258039	VVUGOBVZWPYJEC-WVISFHDSSA-N	420.694	3.606	50	40	HHGB	
CCc1ccc(/C(C)=N/NC(=O)COc2ccc(OC)cc2Br)cc1	1437695	HEGMLVBPEFAUQH-FYJGNVAPSA-N	405.292	3.939	50	40	HHGB	
CC/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccccc1	6675553	DSKWXGKEBXKTID-XTCLZLMSSA-N	410.477	3.989	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	7993650	IEOFHPBSFZMXLY-DJKKODMXSA-N	409.851	3.508	50	40	HHGB	
O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)C12CC3CC(CC(C3)C1)C2	12851146	FQRPLUMYZRGQCS-UHFFFAOYSA-N	409.360	3.581	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c(OC)c1	20029508	XZAPSMXFSJPOGB-LJQANCHMSA-N	421.522	3.919	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1	59153961	ZIZQXFGUAWBPIR-MFKUBSTISA-N	418.449	3.665	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(C(=O)O)cc1	59334867	JMQMKLWLOFGZAS-NDENLUEZSA-N	420.465	3.696	50	40	HHGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1O	408747093	JGWGOURYVAVUPT-WDZFZDKYSA-N	418.203	3.617	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)cc(OCC)c1O	408847397	UWBPPTIGEPUPDE-CLNDYHSZSA-N	413.481	3.727	50	40	HHGB	
CCOc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1OCC	408877064	PFYSQDQYALHYJJ-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c1	6186287	SYCBVAHQWIXNRQ-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)c2cc3cc(Br)ccc3oc2=O)cc1	13940682	QGUPVHRUECLNKK-SRZZPIQSSA-N	415.243	3.718	50	40	HHGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3)c2C)c1	223151141	YDUFWFXEUQTNFH-CFRMEGHHSA-N	424.888	3.845	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NCCCc1ccccc1	408585813	JRTWJHNITRRKRB-UHFFFAOYSA-N	412.342	3.500	50	40	HHGB	
COc1ccc(C(=O)NN[C@H](C(=O)Nc2ccccc2)c2ccc(Cl)cc2)cc1	408734260	MNHRYVWGRCCGIW-FQEVSTJZSA-N	409.873	3.963	50	40	HHGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(I)c1	408763928	GLWKZSPURMWBNK-KPKJPENVSA-N	419.178	3.745	50	40	HHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1	409004053	AECYZNLWWIHGOW-YZSQISJMSA-N	421.541	3.995	50	40	HHGB	
CCc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc1	3036831	ZRYARCZFFDTHQW-ZVHZXABRSA-N	418.409	3.535	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1	3083944	NQRDDFAWDHWJMH-WSDLNYQXSA-N	403.866	3.535	50	40	HHGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1c(C)nc2ccccn12	3891068	DPRPJQMHQOZAPG-FOKLQQMPSA-N	410.840	3.693	50	40	HHGB	
CCOc1cc2c(cc1/C=N/NC(=O)c1cc3cc([N+](=O)[O-])ccc3s1)OCO2	6207443	GEBNZCODHSMMJJ-AWQFTUOYSA-N	413.411	3.701	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1	9329208	TYLRFUUWRGQVSH-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
Cc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1	12765098	FHMWCVUNHPAPNF-MRXNPFEDSA-N	420.440	3.594	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC	28217849	KLSOSGAGKZXNGF-CIAFOILYSA-N	419.275	3.795	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1	104873101	MPCYONDCRJFQTN-PTNGSMBKSA-N	415.789	3.523	50	40	HHGB	
O=C(N/N=C\c1ccccc1I)c1cccc(-n2cccc2)c1	107958011	QBCFFQCSZPTVOH-MOSHPQCFSA-N	415.234	3.846	50	40	HHGB	
Cc1c(/C=C(/C#N)C(N)=S)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2	408544298	VEAWCXXWFLAHGZ-ZSOIEALJSA-N	418.478	3.510	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)O	409055219	XNXXFQLRHLMJRT-ODCIPOBUSA-N	411.241	3.538	50	40	HHGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1	8182227	LHOWWNKBOAZUNQ-DJKKODMXSA-N	406.236	3.503	50	40	HHGB	
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NNC(=O)[C@@H]1COc2ccccc2O1	10369207	DWWULCZLEVAZBM-RDELFYGPSA-N	424.453	3.555	50	40	HHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)[C@]23CC[C@H](C[C@@H]2Br)C3)cc1C	89274544	ZCKNWEUOFNDEGF-PVUWLOKVSA-N	415.353	3.649	50	40	HHGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)cc2C1	96714122	UYSHMIZRXQVBFD-QQQNJIPZSA-N	420.531	3.714	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	101158517	FLNCZXUIVBTDIU-IKYHASTISA-N	407.445	3.659	50	40	HHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1	408862173	GAHOWGXYEJEYTG-YDZHTSKRSA-N	414.527	3.958	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc(C)c1	408875949	MQAWJBVZENPUNZ-VIZOYTHASA-N	401.260	3.737	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)ccc1O	892426	LLWHZFBLMHOLTK-WSDLNYQXSA-N	406.467	3.874	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1OC	1470139	HLTINLIHDMIKRU-RVZOMNRZSA-N	418.449	3.735	50	40	HHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1	5542282	MJULZTMJONJYHA-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
CCCCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2cc(Br)ccc21	5737660	NEQGAFWAPCAIBL-FCDQGJHFSA-N	414.303	3.659	50	40	HHGB	
COc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1	13756873	FHJARLMXPKCCEJ-QRKROWPFSA-N	415.493	3.795	50	40	HHGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	16363364	WKCXMTNWDARFDD-LIMNOBDPSA-N	421.335	3.529	50	40	HHGB	
CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(-c2ccccc2)cc1	96517948	ZPPMRNPLFJJBRE-MRXNPFEDSA-N	414.264	3.732	50	40	HHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)c1	408972130	SMGIWCJOPSUORA-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1C	408996350	HSCMUQLUTTZBKV-ZVHZXABRSA-N	409.490	3.764	50	40	HHGB	
O=C1/C(=C/c2cccc3c2OCO3)C(=O)N(C2CCCCC2)C(=O)N1CCCCl	2178900	ZZKYSPHJOSWMRK-VBKFSLOCSA-N	418.877	3.551	50	40	HHGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)[nH]n1	4136234	YMLPODYQHQHBGE-ZVHZXABRSA-N	414.469	3.652	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	14920464	NWIVUZNGCNFXDM-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	58883053	DSVIAMMLQFVYDP-LNIIIOKPSA-N	419.456	3.846	50	40	HHGB	
COc1ccc(C)cc1N1C[C@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O	68773394	QPDJDFALSSSYEP-CYBMUJFWSA-N	407.392	3.519	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2C)cc1	408783895	OHMMPIPIESMHEC-UHFFFAOYSA-N	413.543	3.853	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	409003580	SYDZSZFPGNUCPW-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1	409369249	IYWRDEMSRRDCMV-CPNJWEJPSA-N	419.481	3.551	50	40	HHGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1F	3282841	MMYKEPYJVYXYNX-OEAKJJBVSA-N	410.474	3.550	50	40	HHGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1	8169626	YVDSTPHFUOIZAH-KRWDZBQOSA-N	415.584	3.883	50	40	HHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1C	9545956	BAFZYHIEBDJPDF-WOJGMQOQSA-N	424.457	3.820	50	40	HHGB	
CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	17143882	MHTZLADISVCCNT-OKDKDVNESA-N	411.509	3.683	50	40	HHGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)C(F)(F)c1ccccc1	32624791	HQXCCDRJGLMLIY-UHFFFAOYSA-N	401.369	3.672	50	40	HHGB	
CC(C)=CC(=O)Nc1ccc(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	72302681	KPMAAUMUXPMMQL-UHFFFAOYSA-N	423.557	3.888	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1O	96499181	CBZYKQLOSVRXKN-UKWGHVSLSA-N	419.231	3.682	50	40	HHGB	
O=C(N/N=C/c1cccc(I)c1)c1ccc(N2CCCC2)cc1	408677568	RXJCMQMVTNBPKX-DEDYPNTBSA-N	419.266	3.655	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408706559	BMBQBEQQUISANO-XMOVILSBSA-N	417.307	3.558	50	40	HHGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCc1ccco1	408857257	FPCYAWBTAHHFKR-UNOMPAQXSA-N	402.406	3.780	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2O)c1OCc1ccc([N+](=O)[O-])cc1	409092533	WWAUYEZMDDOQLV-YDZHTSKRSA-N	421.409	3.652	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(N3CCCC3)cc2OC)cc1	409099849	LYXRFGALHZSNPJ-ATVHPVEESA-N	407.470	3.858	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1O	409272993	UQTJBAVCUCOYBF-RQZCQDPDSA-N	419.366	3.590	50	40	HHGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)c1	1054429	SMPDONAEQCDVBM-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1OC	5458091	KQQIBSNGIWEKJP-IBGZPJMESA-N	418.453	3.711	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1ccccc1C#N	32109271	QJJXVVSSSOBXGK-YSMPRRRNSA-N	400.438	3.695	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408719030	GMRKPMQHEOULOD-ZMOGYAJESA-N	420.425	3.731	50	40	HHGB	
O=C(N/N=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1)c1cccnc1	408735579	TTXJMCMMNJASCS-KIBLKLHPSA-N	415.783	3.996	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	409005647	GBIBBFHWQQUAQJ-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc(C)cc(C)n3)c2C)c1	409245315	QSUOVXCTQXZIQB-FMCGGJTJSA-N	423.542	3.752	50	40	HHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1	832030	WJRWTWCQLAONSC-UHFFFAOYSA-N	413.971	3.815	50	40	HHGB	
C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Br)ccc1O	1949650	WILMXUAKQKGGCC-JTQLQIEISA-N	419.304	3.662	50	40	HHGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21	2224759	DCANNUZHPHPSJN-QFIPXVFZSA-N	413.477	3.740	50	40	HHGB	
Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1ccccc1	2750356	BMIOOUONAFVNRR-OTGIAGGSSA-N	407.255	3.550	50	40	HHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(I)cc1	8386558	JKQCAMFXUCORHI-BSNOEWQHSA-N	420.250	3.876	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc(O)ccc2O)cc1OCc1ccc(F)cc1	13321368	DHZQRSAFOSSHAC-WYMPLXKRSA-N	410.401	3.588	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1ccc(Cl)cc1	102065967	LALIOYDWYONTID-KKOKHZNYSA-N	421.516	3.766	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1	409019541	ZQCQRFDKGYZART-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(Br)c1	409102900	UODKZEPKVAFFST-VBKFSLOCSA-N	412.287	3.831	50	40	HHGB	
O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(F)cc1Br	95954037	UANSSYMTWAFWMJ-UHFFFAOYSA-N	403.207	3.923	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	408552204	IAKXQIZALYCPAW-MDWZMJQESA-N	408.439	3.961	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408611692	RQRAEJSUBULMEA-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1O[C@H](C)C(=O)O	409250276	MWMGGJOOGHYJAK-PRMNVEQPSA-N	411.241	3.618	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)c(Cl)c1	9190633	SNMFECWZVNFDDC-QGMBQPNBSA-N	414.630	3.723	50	40	HHGB	
COc1c(Br)cc(Cl)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409140331	RJDHMZZVBLQIGG-OAHLLOKOSA-N	422.710	3.841	50	40	HHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	409205555	PJFNKEZMFIOADS-AOGWUINGSA-N	404.514	3.616	50	40	HHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	1055585	ZHSNRERNYBFFEG-HZHRSRAPSA-N	412.409	3.606	50	40	HHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1Br	3139801	FMGWNCHOSKFQSK-AWQFTUOYSA-N	411.683	3.949	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NCc1ccccc1	28215415	QTAHILONWZHMKG-CVKSISIWSA-N	421.884	3.799	50	40	HHGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c1C#N	409006606	JRHMHHQFYBWUEK-WYMPLXKRSA-N	420.494	3.911	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC2CCCCC2)o1	409387448	QMRRKEGFIYLQJI-AFUMVMLFSA-N	405.502	3.813	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)cc1	880357	OXHBZGGPNJUCRB-KEBDBYFISA-N	422.266	3.746	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)cccc2C)c(OC)c1	1917780	GFRQDHWXESOALV-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
COc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)c2ccccc2[N+](=O)[O-])cc1	8402445	IFFGYUMDPBXTLU-UCQKPKSFSA-N	419.393	3.587	50	40	HHGB	
CCN1c2ccccc2C2=C([C@@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O	20558409	RUTYAQNZYAQVAN-KRWDZBQOSA-N	413.886	3.686	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCC(=O)Nc1cccc(Cl)c1	104383141	SYNNMCIGUXMXJY-RIYZIHGNSA-N	415.902	3.949	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)c(C)c2)cc1	408772470	LVFAXOHAVOEGRP-UHFFFAOYSA-N	413.543	3.853	50	40	HHGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)NC1CCCC1	409196252	YAYMPYTZVHCEOX-YHYXMXQVSA-N	414.097	3.883	50	40	HHGB	
N#CC1=C(N)Oc2nc(SCc3ccc(Cl)cc3)nc(N)c2[C@@H]1c1cccnc1	1430751	QPOMXANBCMEVEN-OAHLLOKOSA-N	422.901	3.618	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(NC(=O)c2cccc(C)c2)C(=O)c2cccc(C)c2)cc1	3228756	PSUSAGLIRODEMF-UHFFFAOYSA-N	422.506	3.788	50	40	HHGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1	5676534	AURNQVAYGFNUII-GCMSVZMUSA-N	406.486	3.929	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc(OC)c1OC	8748203	ZXFIAAGSAGNMJJ-KRWDZBQOSA-N	422.462	3.505	50	40	HHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1	8811109	XNDXXCRSDVCGQD-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)ccc1O	12275277	APRSMWRSWICDEM-SBUREZEXSA-N	422.506	3.743	50	40	HHGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	20238240	SSRWRTCHFBTACJ-GOSISDBHSA-N	406.467	3.810	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c1	33583749	ZCFVGAWBEFSOSY-FSJBWODESA-N	408.410	3.734	50	40	HHGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccnc3)c3ccccc32)c1	408541444	GHGQYYAZVUTPQV-VULFUBBASA-N	412.449	3.635	50	40	HHGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408542562	KCWBDCFSOXUGPD-AUWJEWJLSA-N	400.818	3.991	50	40	HHGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)O	408543169	PUXXNQHMJIETPW-CHHVJCJISA-N	401.802	3.964	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)=O)c1	408761113	BYNSYPUCQZPCFA-RIYZIHGNSA-N	415.243	3.929	50	40	HHGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)c1	408968204	USHGJUBNTILDKM-BRJLIKDPSA-N	405.385	3.816	50	40	HHGB	
COc1ccc(C/C(C)=N/NC(=O)c2cccc(I)c2)cc1	4679570	CBZHLGYRMINUBY-XDHOZWIPSA-N	408.239	3.648	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br	4815500	GJWPFBDNFHEPSF-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc1	5408576	ZMYJEINSMYQRCL-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1	5417363	DWIUYTDAPLIRGA-OEAKJJBVSA-N	403.866	3.557	50	40	HHGB	
C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)Cc1ccc(Cl)cc1	5417434	XZIJRCGUCHJFQM-LPYMAVHISA-N	402.838	3.620	50	40	HHGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(C)cc(C)n1	8336642	HEDGZWWEGJVPCB-YDZHTSKRSA-N	404.495	3.501	50	40	HHGB	
C[C@H]1S/C(=N\NC(=O)CNc2cccc(Cl)c2)N(c2cccc(Cl)c2)C1=O	12708508	RBIJVMCICMEKBR-VXJNGGCUSA-N	423.325	3.961	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OCC	59515631	AXELIFHIVVKVTD-LPYMAVHISA-N	403.866	3.616	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc([N+](=O)[O-])cc1	408569026	YDPVRVDIFMFDPM-FBHDLOMBSA-N	413.773	3.970	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(OC)cc2)C3)cc1	408822075	DSYRAMWGYNIZQJ-QFEZKATASA-N	401.466	3.988	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408940172	OGBRDHCJAYSLJV-DHRITJCHSA-N	422.460	3.639	50	40	HHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccccc2)c2ccccc2)cc1	408980704	SKLTYWAXKSQOJJ-ZRZWOPFXSA-N	421.522	3.555	50	40	HHGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(Cl)cc1	2339278	AGRFKDZZSJOFLL-CVKSISIWSA-N	405.885	3.738	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	2888307	PSPXEZRZSLOKJS-IMGOXIFKSA-N	415.877	3.651	50	40	HHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N32)cc1OC	12276119	BIASQGKGQRKGEX-SBUREZEXSA-N	422.506	3.655	50	40	HHGB	
O=C(CCl)OCC1(Cc2ccc(Br)cc2)C(=O)c2ccccc2C1=O	16524292	FVBKJOHNHSLFQA-UHFFFAOYSA-N	421.674	3.839	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1	408971779	QFKYOSLHQMDVJK-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cccs1	682768	NWUGSABQSNCGDO-LPYMAVHISA-N	410.451	3.836	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	825346	LTICETUPHXMUAE-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C	4661055	SLMKVKGQTPVPEZ-LDADJPATSA-N	407.474	3.646	50	40	HHGB	
CCC[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)C1CCC(C)CC1	4704015	QBNJXDVAVHBDBF-KVULBXGLSA-N	411.340	3.970	50	40	HHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)ccc1O	12275275	APRSMWRSWICDEM-UZUQRXQVSA-N	422.506	3.743	50	40	HHGB	
CC(C)c1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cnn1-c1cccc(Cl)c1	23110238	XFTKTXPFDAUKSH-UHFFFAOYSA-N	414.868	3.792	50	40	HHGB	
O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	40846269	VZBXKBUTKIDXRH-ROMGYVFFSA-N	419.868	3.786	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3OC)o2)cc1	58915746	UWOZXLJFMRHJMK-ZVHZXABRSA-N	422.437	3.661	50	40	HHGB	
O=C(CBr)c1cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c1	258833969	NOXSEZAATCJLFY-UHFFFAOYSA-N	406.936	3.834	50	40	HHGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1	408570848	ZHPMQLUHQZGLCP-CIAFOILYSA-N	418.540	3.712	50	40	HHGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N	408603311	FRSWXJVJNBKZPX-SFHVURJKSA-N	405.458	3.849	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC(=O)O	408792029	GSYLELIXJCJPBY-VIZOYTHASA-N	414.845	3.975	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	408972633	QCYJKCRHARVCJW-BIKZULFDSA-N	402.498	3.730	50	40	HHGB	
N#Cc1cc2c([n+]3c1S[C@@H]1CCC[C@H](I)[C@@H]13)C1CCN2CC1	9327668	FSHIZWXDNSZNAI-BJJXKVORSA-N	424.331	3.546	50	40	HHGB	
CC(C)CCn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc21	12519928	XIXMSSQMMJOBSO-UHFFFAOYSA-N	402.545	3.697	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)o2)cc1	409007028	MIFOMJNMNDYTMV-MXAYSNPKSA-N	405.454	3.912	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1	5798748	ODCBXSALGUBDFU-FOKLQQMPSA-N	411.506	3.882	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OC	409356412	GIQMTYCDOMAVJF-LSHDLFTRSA-N	424.270	3.558	50	40	HHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)c1	409361276	GUNKKPNTHUWNFT-UDWIEESQSA-N	404.513	3.770	50	40	HHGB	
N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)c(Br)c1	1073670	DZRWKRHYFAWAPJ-HNNXBMFYSA-N	413.202	3.913	50	40	HHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	6455179	BMPMPEFTNXLRBO-CPUCHLNUSA-N	401.507	3.687	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1	33572147	CBPKHQOVLOVLPZ-UCQKPKSFSA-N	421.409	3.724	50	40	HHGB	
O=C(NNC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccccc1F	40060241	NDYXGYWRNJRBAJ-UHFFFAOYSA-N	420.469	3.841	50	40	HHGB	
COc1ccc(C)cc1N1C[C@@H](C(=O)NNc2ccccc2C(F)(F)F)CC1=O	68773396	QPDJDFALSSSYEP-ZDUSSCGKSA-N	407.392	3.519	50	40	HHGB	
N#CC1=C(N)Oc2nc(SCc3ccc(Cl)cc3)nc(N)c2[C@H]1c1cccnc1	1430752	QPOMXANBCMEVEN-HNNXBMFYSA-N	422.901	3.618	50	40	HHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c1C	58914238	QNDSMXRSYQPYIK-YUMHPJSZSA-N	416.525	3.868	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1	59391825	BUNHTSOIBWJXAF-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59515432	BVCHPDIQBGUKPV-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(OC(F)(F)F)cc1	102090732	VYPAKIXFBYMTMZ-OAHLLOKOSA-N	412.323	3.726	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408589777	MULLOJGKLKIHLW-FSJBWODESA-N	410.405	3.914	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2C)N2C(=N1)SC(C#N)=C2N	408603359	GASGPVZRGNOFRP-SFHVURJKSA-N	412.515	3.732	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)cc(OCC)c1O	408847399	UWBPPTIGEPUPDE-MUFKXGJGSA-N	413.481	3.727	50	40	HHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1	4453077	DXLKAVMLDZIRMN-GOSISDBHSA-N	418.453	3.711	50	40	HHGB	
O=C(NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1	5409259	HONCPXBUKQNSSN-UHFFFAOYSA-N	400.482	3.952	50	40	HHGB	
Cc1cc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)no1	7467329	LILQYHXUZCMJFR-WAKXPGHKSA-N	412.490	3.925	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1	58911398	GJUQXRNWJDVENC-LSHDLFTRSA-N	409.317	3.766	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC=C)c(OCC)c2)cc1OC	409325789	BBGBVSZAOIGNKX-JLPGSUDCSA-N	410.470	3.987	50	40	HHGB	
N#C/C(=C(\OCC(=O)c1ccc(F)cc1)C(F)(F)F)c1nnc2n1CCCCC2	4949133	KDWDJMMEHNXCNZ-SAPNQHFASA-N	408.355	3.840	50	40	HHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c21	5444759	BMNLLFLAIBDHMR-KRWDZBQOSA-N	403.398	3.602	50	40	HHGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12	6402850	AQRQAXIJVIVYQL-AWEZNQCLSA-N	406.413	3.883	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)c(C#N)c1C	408546987	PYGIAQMFPDVASX-VGOFMYFVSA-N	410.451	3.538	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408802651	ZVQHEVOQAMPQHI-UDWIEESQSA-N	408.498	3.869	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)cc2c1	409187717	UEBQTNUSUGWXJL-NHDPSOOVSA-N	413.386	3.608	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc2c1CCCC2	2708526	ZQJXOQRPNWVGBO-LCYFTJDESA-N	412.467	3.673	50	40	HHGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)COc1ccccc1C	4381049	QKPICCNJCJTPDM-HYARGMPZSA-N	418.291	3.657	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1	7777570	XSGQPDBBQFSDJH-KEBDBYFISA-N	411.443	3.504	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1	8684379	IEDGEVHDGLKXIL-FYJGNVAPSA-N	417.874	3.888	50	40	HHGB	
COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)c(OC)c1	12276973	AIRKOCWUHPLTJO-ZOCIIQOWSA-N	410.308	3.801	50	40	HHGB	
Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)c1	15978819	KQYOOSFUZJRYPT-VYYCAZPPSA-N	413.481	3.875	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl	59459553	YSWJBVKDFAGVSI-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
CCOC(=O)/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\OC	100470094	QTZYCIYEPJENBZ-BZZOAKBMSA-N	406.442	3.546	50	40	HHGB	
CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=N)c2ccccc21	100820115	RQQKEFSOAHLCPY-DOXIRFOWSA-N	405.502	3.956	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1c(OC)ccc2ccccc12	408609108	YSWSPDLYQLMGJR-IBGZPJMESA-N	420.494	3.796	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409007606	YFOLSKPWCSBNHI-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)o2)cc1	409206437	OIGAZEXCYJAHFW-RASHHNMQSA-N	401.422	3.881	50	40	HHGB	
N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	720239	NDUJULUDIVQTHT-FQEVSTJZSA-N	421.403	3.998	50	40	HHGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2)cc1	8372181	HNNQSLDGSLKTHA-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
COc1cc(C(=O)NN)cc(Br)c1OCc1cccc2ccccc12	226325477	AYWKXSATYGHFDF-UHFFFAOYSA-N	401.260	3.793	50	40	HHGB	
NC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408891158	MJOSMNINZUHFRC-SSDVNMTOSA-N	412.243	3.824	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)O	409042367	MPDVTHLOGPTHKY-NTUHNPAUSA-N	418.808	3.887	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(C#N)cc1	409197560	IRJBEYCBWBJVEU-WJRZFDRGSA-N	424.460	3.903	50	40	HHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)c(C#N)c1C	409354039	XCDHYODLPJTXMB-YSURURNPSA-N	404.426	3.668	50	40	HHGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1c1ccccc1Cl	100548199	SQKFRZAEOHSRQJ-AXTSPUMRSA-N	421.516	3.766	50	40	HHGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)cc1	6477625	IIZFHGVPHIZVKA-SFHVURJKSA-N	407.495	3.714	50	40	HHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C2CCCC2)cc1	20060191	QXGXYHBOFVAFQP-UHFFFAOYSA-N	419.934	3.966	50	40	HHGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1OC	9045903	GBOSVZCPBQEOBH-FSJBWODESA-N	403.442	3.648	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	408997516	MUDAWBVSYBXZTG-ZMOGYAJESA-N	401.422	3.740	50	40	HHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1	408997868	OPXUEZHTXDNQEG-BUVRLJJBSA-N	400.438	3.661	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccnc2)c(C(=O)OCC)c1C	408547393	WCHVQRBZRKYIKU-OQLLNIDSSA-N	412.467	3.524	50	40	HHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1ccc(Cl)cc1	409217744	AYNBXCRWFLQSDU-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1sc2nc(C)nc(C)c2c1C	98004255	SKDMAALOZZJHPO-ZMOGYAJESA-N	414.560	3.656	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3097542	SCIHVFAYJQVEON-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
O=C(N/N=C(\c1ccccc1)c1cccnc1)C(O)(c1ccccc1)c1ccccc1	4614388	JEQAZKVGRSZTDO-ZZIIXHQDSA-N	407.473	3.886	50	40	HHGB	
CC(/C=N/NC(=O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1)=C\c1ccco1	14923846	SSMMUMUDQNBPIX-MYPBCVKDSA-N	415.449	3.962	50	40	HHGB	
Cc1ccsc1[C@@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19816509	MNCYGFULLNDXMG-RTWAWAEBSA-N	411.534	3.982	50	40	HHGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	58913965	XLILPFXNXCSPEX-KSEXSDGBSA-N	407.301	3.543	50	40	HHGB	
O=C[C@@H](NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104193727	JELOSNKJWVDIEP-SANMLTNESA-O	424.460	3.936	50	40	HHGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1OC	107702486	GASQMJWWXIBJQH-ZVHZXABRSA-N	406.438	3.554	50	40	HHGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	223154870	DFAYHRXYNBJLEI-CFRMEGHHSA-N	406.408	3.640	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	408980434	QXSUATZIJYYDSE-YZYPULCFSA-N	401.466	3.707	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)O	409009461	ACPHYYNXEBETEC-PRMNVEQPSA-N	411.241	3.618	50	40	HHGB	
C[C@@H](Cl)C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	2365207	YSXCSOQXWSFOHR-QGZVFWFLSA-N	408.885	3.614	50	40	HHGB	
N#C[C@H](/C(=N\NC(N)=O)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1	104286032	OUYYAJBHQYUTQD-QPBNAJQBSA-N	414.252	3.501	50	40	HHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1cccc(C(=O)O)c1	59678954	FHLWCOBPEPUFBW-MFKUBSTISA-N	418.449	3.665	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Br)c1	59459581	BQRAXXZBRXXUJI-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	409067131	NXJMFGUAMKFZTB-LDADJPATSA-N	417.421	3.890	50	40	HHGB	
CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccco1	41154224	FPWTUCGHTCFYRB-UHFFFAOYSA-N	419.374	3.891	50	40	HHGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccs3)cc2OC)cc1	2632831	KPGSGBCOYFDBGK-YDZHTSKRSA-N	424.478	3.886	50	40	HHGB	
Cc1oc2ccc(OCC(=O)N/N=C/c3cccs3)cc2c1C(=O)OC(C)C	1297178	WVNHPHDOIMOPIH-UFFVCSGVSA-N	400.456	3.897	50	40	HHGB	
Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)n1	409114248	GKFLHKSGKMAHAL-NHDPSOOVSA-N	423.454	3.622	50	40	HHGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1cccc(Cl)c1	409230420	CZGDZXYTVMBWHM-UCQKPKSFSA-N	401.894	3.868	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc(Br)c1O	2319237	ZSXDODPIQBQHHH-UFFVCSGVSA-N	414.259	3.784	50	40	HHGB	
Cc1nn(-c2ccccc2)cc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	2325180	XCQPZXWFCMMZFA-QFIPXVFZSA-N	408.465	3.893	50	40	HHGB	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	6412906	OLUYTWJELZIVEI-MFOYZWKCSA-N	406.438	3.936	50	40	HHGB	
C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O	100982409	JQJZJNRPYCJATI-LDADJPATSA-N	402.406	3.511	50	40	HHGB	
CC/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(OC)c1	104464048	YZMWUZVEKOUOGD-XIEYBQDHSA-N	417.465	3.748	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)c(C)c1	108034188	USLWLUGOQOQAPK-QRVIBDJDSA-N	421.409	3.643	50	40	HHGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]	408599648	YCGKDFGEOSAJMN-LPYMAVHISA-N	420.381	3.846	50	40	HHGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1OC	409383524	ZLWWQKUAPQROPY-VGOFMYFVSA-N	404.264	3.917	50	40	HHGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)ccc1O	2215972	TUXAZQCIOWYVTE-MRXNPFEDSA-N	411.458	3.759	50	40	HHGB	
Cc1ccc(C)c(NC(=O)[C@@H](NNC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c1	3322255	JZQGABRDRHVIDY-NRFANRHFSA-N	418.453	3.826	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)c1	9014663	DVAYOEBNKFVIOB-GOSISDBHSA-N	407.495	3.714	50	40	HHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccco1	22030448	NGGJOSLPYIBVRX-LHLOQNFPSA-N	416.525	3.527	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	83315883	VPNNYLMZTRCAOV-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1O	408794171	IDKAYIQCUQMWQQ-KPKJPENVSA-N	403.232	3.805	50	40	HHGB	
Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c(C)c1	408849240	VVKFXJWNMOUQHX-JAIQZWGSSA-N	421.295	3.651	50	40	HHGB	
Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	3248868	OLUYTWJELZIVEI-RQZCQDPDSA-N	406.438	3.936	50	40	HHGB	
COc1cc2c(cc1NC(=O)C(=O)N/N=C/c1ccccc1F)oc1ccccc12	4690030	XJQWXTNZIKJIQE-WYMPLXKRSA-N	405.385	3.823	50	40	HHGB	
CCCCCCOC(=O)[C@@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1	5837439	GDJRGSSZHLYQHX-KRWDZBQOSA-N	419.393	3.973	50	40	HHGB	
O=C(CSc1ccccc1F)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	29653501	VLKQNOQLZFTKFF-UHFFFAOYSA-N	418.421	3.690	50	40	HHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1	58882952	MTEQDAVVXCGDSL-YSMPRRRNSA-N	421.884	3.799	50	40	HHGB	
COc1cccc(C2=Nc3ccccc3[C@H](c3ccc(Cl)cc3)N2CC(=O)NN)c1	97105693	ZNAAJBYHVHPERY-QFIPXVFZSA-N	420.900	3.822	50	40	HHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1ccccc1	408709021	WLKRGIPJMRQCOJ-ZVHZXABRSA-N	416.437	3.526	50	40	HHGB	
O=C(N/N=C/c1ccco1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973721	QCCQUORLLLYDDK-DGEAWOGYSA-N	419.506	3.860	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1cc(OCC)c(O)c(Br)c1Br	2773105	TZGAMBXFAHRJND-WEVVVXLNSA-N	419.069	3.786	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1	58912897	PIXHDRHPRPENSH-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1	408803760	AATMWIOEXVGNER-XNTDXEJSSA-N	414.845	3.836	50	40	HHGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C(N)=O)cc1	408956162	YYZWAYNNZGVXHA-MXAYSNPKSA-N	400.438	3.703	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc(F)cc1	8456300	SDQRKPIZOYNYOE-AFUMVMLFSA-N	422.412	3.913	50	40	HHGB	
CN1CCC(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)CC1	57428109	WUVXOYWGNWJYTR-UHFFFAOYSA-N	412.493	3.812	50	40	HHGB	
CCCC[C@H](CC)CNC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	4700484	NAYVXGMGCXFSSK-AWEZNQCLSA-N	415.456	3.579	50	40	HHGB	
CC(C)N1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21	5838082	ZXMYQTUBGIKDCY-PTGBLXJZSA-N	406.269	3.648	50	40	HHGB	
COc1cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1	9491340	CEBOETMYTOFENO-UHFFFAOYSA-N	424.884	3.931	50	40	HHGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC(=O)n1cc(Br)cn1	15930551	BVNWCKHXQYBKFQ-YCRREMRBSA-N	414.046	3.644	50	40	HHGB	
Cc1occc1C(=O)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21	33014848	BMHRBAYCUDJCDU-SFQUDFHCSA-N	421.840	3.704	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1	408587901	HQXGWOHETFHGIV-YDZHTSKRSA-N	422.441	3.783	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc(C)cc(O)n2)o1	409107293	ONDNEAJSHCJSOF-JLHYYAGUSA-N	408.439	3.789	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)O)c4ccccc34)cc2c1	409187822	UQYVUCTUDIFPHG-KSEXSDGBSA-N	405.410	3.635	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1C#N	409207462	XOMNVZZNMXRSJQ-MGZHSMRGSA-N	424.460	3.903	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	409209528	GEQNIQYVWKVBLH-SRZZPIQSSA-N	406.891	3.524	50	40	HHGB	
COc1ccc2ccccc2c1[C@@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	16037552	RFCPOCQOZAUBTC-QPPBQGQZSA-N	423.520	3.982	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)c1	408745451	SJGMPXWGGAASPD-JYRVWZFOSA-N	404.207	3.851	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(I)cc2)cc1	408828783	WAGLVFQRWLXGBV-GDNBJRDFSA-N	418.234	3.523	50	40	HHGB	
COC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21	409015744	DXIZHACDONEIRV-RMORIDSASA-N	409.829	3.978	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	6651044	TVHYHNCIVGPSTB-DUYBAWCLSA-N	423.513	3.767	50	40	HHGB	
CCN1c2ccccc2C2=C([C@H](c3ccccc3Cl)C(C#N)=C(N)O2)S1(=O)=O	20558407	TTWXJXHJOXZEMI-QGZVFWFLSA-N	413.886	3.686	50	40	HHGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	40128986	BJOQPODEBATLDV-UHFFFAOYSA-N	424.520	3.535	50	40	HHGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	103591721	TZRJVDCDUZCJMK-FPYGCLRLSA-N	408.204	3.993	50	40	HHGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cccnc1	408875096	CWOGUXYZDHHPEP-JMIUGGIZSA-N	415.203	3.776	50	40	HHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCC#N	408904533	LAJITWJTWPAGRD-NHDPSOOVSA-N	417.263	3.824	50	40	HHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCC1)c1ccc(Cl)c(Cl)c1	408905987	BTGBBTKBMOBWPJ-UHFFFAOYSA-N	420.362	3.976	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCCCC2)ccc1OCc1ccccc1	409006583	PQCCFDWTCFYPSB-PCLIKHOPSA-N	423.513	3.563	50	40	HHGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409048555	RXSWFLAXZKCZSX-HIFKMRKBSA-N	411.414	3.829	50	40	HHGB	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	1305369	IMQPFPVRWRIEGB-FQEVSTJZSA-N	400.438	3.772	50	40	HHGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccccc2C)C2=C1C(=O)CCC2	4944753	QGEFJCMIXCWJSU-RUZDIDTESA-N	410.477	3.715	50	40	HHGB	
C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(N)=O	5725892	PBKFTBFDIVOULF-LPYMAVHISA-N	418.291	3.638	50	40	HHGB	
CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)cc1	9171228	VDHBFQZNOIFUDW-QGZVFWFLSA-N	422.510	3.516	50	40	HHGB	
CCOc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N32)cc1	12275026	TYSZQHVETSFFDL-VGOFRKELSA-N	410.470	3.868	50	40	HHGB	
CCOc1c(Br)cc(C(=O)NNC(=O)c2ccc(C)c(C)c2)cc1OC	12866966	XWWOFSDDMAUDIO-UHFFFAOYSA-N	421.291	3.548	50	40	HHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1	58924982	VJOBFUBKVJEZTR-UHFFFAOYSA-N	413.971	3.815	50	40	HHGB	
O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1cccs1	67197075	AZLBIVIKSQGNHQ-GIDUJCDVSA-N	404.083	3.743	50	40	HHGB	
OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681946	HWYUEAAHUZJSMM-VKHMYHEASA-N	404.010	3.641	50	40	HHGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc(Br)cc1	101067106	JAWNFLPFAVFJBS-SKLAPFLYSA-N	411.727	3.788	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1	408604998	JLJSWOWVIMMKFJ-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1	408731757	PPJHBZGNLKOXLM-DJKKODMXSA-N	414.318	3.666	50	40	HHGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)NCc1ccccc1	409267410	UODBFSCYXYZLSB-KGENOOAVSA-N	411.461	3.927	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1Br)OCO2	1443966	LBABAIPFEHGLFQ-AWEZNQCLSA-N	417.259	3.629	50	40	HHGB	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)OC)cc2)cc1	35318211	VWLYMNIVMWUODJ-QNGOZBTKSA-N	422.481	3.502	50	40	HHGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1oc2ccccc2c1C	40144210	WJURVEKVBRRULL-UHFFFAOYSA-N	420.444	3.687	50	40	HHGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1	59473059	BBGCYOUBDHHAQT-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccncc2)nnc1-c1ccc(C(C)(C)C)cc1	1245912	DBDQKWMNWDYOLN-ZVHZXABRSA-N	422.558	3.900	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	28351130	SCUPXFQRPSYZGQ-STZFKDTASA-N	424.486	3.506	50	40	HHGB	
CCc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	102531572	VSINYAVFVVQOIZ-FNFFVJSTSA-N	415.125	3.675	50	40	HHGB	
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=S)NCCCc2ccccc2)cc1	408585313	DGAPPRFLFZZAKY-UHFFFAOYSA-N	406.555	3.836	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408945718	XZQKUOXBRUGFNP-AFUMVMLFSA-N	422.460	3.721	50	40	HHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1	409392870	SPRNZXCFYXFCDZ-IWIPYMOSSA-N	419.437	3.894	50	40	HHGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)c1	3080076	WVFHZLFLQDXTTO-ZMOGYAJESA-N	404.422	3.767	50	40	HHGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(Br)c1	3080387	ZJVKWPOELABHDO-CIAFOILYSA-N	402.292	3.663	50	40	HHGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21	5855674	VPMOENDZYCWQRB-NKFKGCMQSA-N	406.269	3.649	50	40	HHGB	
N#C[C@H](/C(=N/NC(N)=O)C(=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1	8653150	OUYYAJBHQYUTQD-QAUNAVRSSA-N	414.252	3.501	50	40	HHGB	
COc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1OC(F)F	11296864	LONXADCEXRGMCT-UKTHLTGXSA-N	410.384	3.872	50	40	HHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCN(c2ncccn2)CC1	42195860	HYCBFTDSCOYGPC-UHFFFAOYSA-N	400.697	3.797	50	40	HHGB	
CC(C)[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1nc(-c2cccnc2)no1	58247311	AZMWBIQSBAUHNA-KRWDZBQOSA-N	420.922	3.589	50	40	HHGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408879390	FQWASDODCBTITO-WUXMJOGZSA-N	420.206	3.551	50	40	HHGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(Br)cc1	409108366	WTLQBDPUQGBUBU-SSZFMOIBSA-N	412.287	3.831	50	40	HHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	409236304	DKNSEQKJKCSKBX-WSDLNYQXSA-N	408.285	3.603	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OC	409360029	CZRRROQEWPRYTR-NHDPSOOVSA-N	405.292	3.776	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)cc1	409365770	RXZFNYPBLMLGCT-WYMPLXKRSA-N	411.845	3.949	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1	1790291	MLAKFGSDYJWCDU-JQSQVVPISA-N	418.305	3.905	50	40	HHGB	
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1ccccc1	2662511	NKKGBZOENOKUCM-UHFFFAOYSA-N	420.519	3.912	50	40	HHGB	
Cn1cc(C(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc21	4812683	BRNHQMCAVIATHJ-DJKKODMXSA-N	401.220	3.613	50	40	HHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1ccc(Cl)cc1	23585524	SSHQHNAKSDHDAY-UHFFFAOYSA-N	423.281	3.597	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1	58900620	LVPAKIDUEODTRI-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	101385269	UPDIYYIHVRJMHM-VYIQYICTSA-N	400.482	3.919	50	40	HHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1	103990457	OHNJTJNXNQISQR-LQBOVUBWSA-N	408.498	3.862	50	40	HHGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	108019489	OLHRLRVLBPOHHW-UUYOSTAYSA-N	407.382	3.554	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)c(C#N)c1C	408546941	PDQAVPWDPZVWNF-OVCLIPMQSA-N	424.478	3.841	50	40	HHGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)CC2=O)cc1C	409258632	YIFWDKKUVVTCPM-FVWOBLMASA-N	403.404	3.825	50	40	HHGB	
Cc1c(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)c(=O)n(-c2ccccc2)n1C	1446780	BLONORCETGSBRA-SDNWHVSQSA-N	410.836	3.823	50	40	HHGB	
CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=N/NC(N)=O)c1	5954337	FPTYFYJZKGJKFJ-WSDLNYQXSA-N	420.307	3.780	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)c(OC)c2)cc1Br	8102796	NQIDROHYALYTHG-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br	8385171	VMUUJALQHWJZLY-LNOXHEFASA-N	421.291	3.774	50	40	HHGB	
O=C(CSc1cccc2cccnc12)N/N=C\c1cc(Br)ccc1O	85877321	FSQQKZLVJQXRJS-FBHDLOMBSA-N	416.300	3.945	50	40	HHGB	
O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1	226855729	HXFIFMUGRGVTCZ-UHFFFAOYSA-N	414.097	3.924	50	40	HHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OC	409067952	ROJCOCOFFZKLGW-LDADJPATSA-N	406.438	3.765	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)c(OC)c1	1917648	VXSZGSZWGQKAQI-PJBLTWOLSA-N	418.449	3.532	50	40	HHGB	
N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(O)cc1	5603919	SIQOSXSVRXEMBN-MDZRGWNJSA-N	400.360	3.581	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)=O	13387983	KXYBDYJFHMYATC-NTUHNPAUSA-N	415.789	3.728	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(Br)c1	20086672	NQVRROFDIQARBW-OAHLLOKOSA-N	407.223	3.590	50	40	HHGB	
CCCCCn1nc(C(=O)NNC(=O)[C@H](CC)c2ccccc2)c2ccccc2c1=O	22698562	NZXDITQFBQSTBD-GOSISDBHSA-N	420.513	3.542	50	40	HHGB	
O=C(NNc1ccc(Br)cc1)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	108054378	FCCIZYWRWCTGQD-UHFFFAOYSA-N	414.219	3.571	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c1C	408546323	GPEDEDSZRHRLAA-RIYZIHGNSA-N	409.423	3.732	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	408586026	APTUYXMXVPAAFI-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OC	408752730	GJJJGNHEQXCULG-VXLYETTFSA-N	422.235	3.529	50	40	HHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(C)(=O)=O	409109322	BQZFADVBGKXUAJ-LFVJCYFKSA-N	421.522	3.725	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OC	409247169	GREVRWKMSOSNKA-NHDPSOOVSA-N	409.255	3.688	50	40	HHGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O	2390263	XRKPAKVQHTXYLY-GHRIWEEISA-N	416.481	3.962	50	40	HHGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3102883	RBIOERQTXQASFR-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNc1ccccc1	5554933	FMNGJHBREOEOOW-NTCAYCPXSA-N	403.554	3.873	50	40	HHGB	
Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)c2)cc1	7780122	MLWVJHICRILFSH-PWYGXMRTSA-N	415.449	3.537	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1	9304576	JQFJTFBIIVGABK-GRRFOWRYSA-N	406.269	3.677	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)c(OC)c1	20029512	PPHNCDVCMDWNMF-QGZVFWFLSA-N	411.483	3.512	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2C)cc1	58913000	WGSNIALGEWCZRF-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408611749	SAAZLUFFDURZKC-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409191287	UQFAUHSLKILZCX-SRZZPIQSSA-N	421.678	3.887	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2	2708520	OHKPGTWAFYJNOT-UKTHLTGXSA-N	411.439	3.867	50	40	HHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1	5718751	ILUFAGSCOBQOFU-SFHVURJKSA-N	407.495	3.796	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(N(C)C)cc4)CSC3=C2C#N)c1	6752519	XAUZZRCKWZYUJC-FQEVSTJZSA-N	420.538	3.981	50	40	HHGB	
Cc1ccc(NNC(=O)[C@@H](C)NC(=O)c2ccc(Br)cc2)cc1Cl	12934166	PXWPBQQBASJEKC-LLVKDONJSA-N	410.699	3.673	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408941660	PYRDLWUAOIPDLR-WMJRALALSA-N	409.317	3.766	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	409156563	GJQOBAVIRDETTQ-IMRMQAIZSA-N	420.694	3.606	50	40	HHGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O	958394	VTYVODHWQCWWHP-LSFURLLWSA-N	408.508	3.645	50	40	HHGB	
C/C(=N/NC(=O)CCSCCC(=O)N/N=C(/C)c1ccccc1)c1ccccc1	4748345	YJVSXSSWQZKPNG-BOYKQRMESA-N	410.543	3.581	50	40	HHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1OC	5458095	KQQIBSNGIWEKJP-LJQANCHMSA-N	418.453	3.711	50	40	HHGB	
O=C(NNC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	6506025	PAJNLURYGUHLFI-UHFFFAOYSA-N	402.690	3.596	50	40	HHGB	
O=C(CNC(=O)c1ccc(F)cc1F)NNc1c(Cl)cc(Cl)cc1Cl	32901481	HLJDPAZNLQBYOI-UHFFFAOYSA-N	408.619	3.798	50	40	HHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1	33282881	MDWXVVQBKLCRAZ-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1Br	59444376	NMTXSOXHWPFARN-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
Cc1oc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Br	107470576	QLDYEHDERBMCTR-ZVBGSRNCSA-N	412.243	3.614	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)o2)c([N+](=O)[O-])c1	107584304	VWEQXIHMUDYPJD-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408867843	MFQOQRFRLLNCAR-WUXMJOGZSA-N	422.197	3.985	50	40	HHGB	
O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc2c(c1)OCO2	409267728	WBKJDKUASKGWEW-LSHDLFTRSA-N	422.268	3.981	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1	2080906	GEXZCSOXMIHVGB-SRZZPIQSSA-N	421.678	3.644	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)c1OC	12275655	KTTVGPPYBKWRMT-UZUQRXQVSA-N	422.506	3.655	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)[C@@H]3[C@@H]1CC2	100676729	CRZZFQSJDRYLJT-TUCQFJRYSA-N	410.308	3.880	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)o1	245377420	LCGGLAMWYLJEQX-UHFFFAOYSA-N	409.427	3.751	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NC[C@@H]1CCCO1	408733805	ABBNSDKSPDIOMJ-JQVXPOPVSA-N	401.806	3.710	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)c1	408798778	XEYJOPQMKXHIGT-RIYZIHGNSA-N	415.243	3.767	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C	409196283	YKSWTRBKKPFCLG-BOPFTXTBSA-N	408.458	3.977	50	40	HHGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)cc1	3232460	VRTJVPOQDWJTAD-LPYMAVHISA-N	409.398	3.929	50	40	HHGB	
N#CC(C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)=C1Nc2ccccc2N1	3330127	KDMAIWFXSXVSAB-UHFFFAOYSA-N	401.344	3.633	50	40	HHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCn2c(=O)[nH]c3ccccc32)c1C	7984098	CJPHMJFPRLOQAM-XMHGGMMESA-N	406.486	3.698	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccc(Cl)cc1Cl	12629402	DGSHCIFJNITQLT-FOKLQQMPSA-N	422.268	3.899	50	40	HHGB	
COc1cc(C(=O)NNC(=O)c2csc(-c3cccs3)n2)ccc1OC(C)C	12763259	SQLKZXRKNBSBRH-UHFFFAOYSA-N	417.512	3.742	50	40	HHGB	
O=C(N/N=C\c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1	30822019	YEHKMYVNMGASNI-QRVIBDJDSA-N	407.357	3.717	50	40	HHGB	
C[C@H](C(=O)N/N=C\c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CCCC3	31858913	PDLLBXGBSCLZCX-MOQVIFSHSA-N	414.918	3.702	50	40	HHGB	
O=C(CCn1ncc(=O)c2ccccc21)NNc1c(Cl)cc(Cl)cc1Cl	52930668	WUKYNBMSRIUPJI-UHFFFAOYSA-N	411.676	3.890	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)cc1	408826839	DFXXQNLMGZMIKQ-YZSQISJMSA-N	417.465	3.867	50	40	HHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	409309115	BPVQPVGOXVLDKQ-GOSISDBHSA-N	421.522	3.968	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)o1	993973	GFFLHJORKHCESH-FRKPEAEDSA-N	402.042	3.577	50	40	HHGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	1052872	VIUOPWYFJHLJOR-LSHDLFTRSA-N	419.268	3.722	50	40	HHGB	
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CCl)cc1OC	2152626	NJFSDLJTDNKADZ-QGZVFWFLSA-N	419.905	3.628	50	40	HHGB	biogenic
O=C(COc1cccc(Br)c1)N/N=C/c1ccccc1Br	3167341	MCMULYFLHINWDD-GIJQJNRQSA-N	412.081	3.741	50	40	HHGB	
COc1ccc(/C=C(\C#N)c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	5257611	RJHXMLZYDUJFFI-GXDHUFHOSA-N	407.411	3.771	50	40	HHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC	21274501	RILZTWVZUGIDDG-XMHGGMMESA-N	418.449	3.820	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1O	37020488	BUXLZVYEUYGZQC-JMIUGGIZSA-N	411.683	3.900	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C\c3ccc(F)cc3)c(=O)c2c1-c1ccccc1	101087998	OLFHLJRYYKDFIB-GATIEOLUSA-N	420.469	3.723	50	40	HHGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1cccc(F)c1	713883	LYZYSDXWWKZWHH-WYMPLXKRSA-N	406.369	3.538	50	40	HHGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1	4670465	AOIAIWKIRIELCD-QGOAFFKASA-N	407.470	3.536	50	40	HHGB	
O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc2c(s1)CCC2	17445542	WFPPREAXVOGMHG-UHFFFAOYSA-N	414.490	3.922	50	40	HHGB	
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc2ccccc2n1	24100873	AIVKUKYIHLFPCE-UHFFFAOYSA-N	409.511	3.906	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc1OC	26781488	HLTINLIHDMIKRU-FLFXYHILSA-N	418.449	3.735	50	40	HHGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)NCc2cccs2)c1OC	59534245	DSUKATLMJZUTMM-WUXMJOGZSA-N	407.289	3.751	50	40	HHGB	
O=S(=O)(C(Br)Br)[C@@H](Br)c1ccccc1	100180361	MXOXURLECMKCIW-SSDOTTSWSA-N	406.921	3.568	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(OCC)ccc2nc1Cl	676579	WTOUEDIHKRRXNU-SFHVURJKSA-N	413.861	3.932	50	40	HHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	3176485	ABDCOUGPXFTQKW-AUEUWSLNSA-N	413.477	3.769	50	40	HHGB	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2	4004494	FARLAARCGKMBHE-INIZCTEOSA-N	404.426	3.738	50	40	HHGB	
CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSCc1ccccc1Br	5326124	GCUPIZSUQSNITH-PETKRDDUSA-N	413.337	3.518	50	40	HHGB	
COc1cccc(/C=N\NC(=O)c2cc(C)nc3ccc(Br)cc23)c1O	12339025	CUAGILPZBBQACL-FBHDLOMBSA-N	414.259	3.784	50	40	HHGB	
COC(=O)c1nc(-c2ccccc2F)oc1NNC(=O)C(F)(F)c1ccccc1	35681959	HNBRUCIBLIYZMZ-UHFFFAOYSA-N	405.332	3.502	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)c2cc3cc(Br)ccc3o2)cc1	59449429	XQDWIPPSTKLSGL-UHFFFAOYSA-N	420.288	3.835	50	40	HHGB	
O=C(N/N=C/c1ccccn1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	59472770	YMYNZBMABDPAMI-HBAGGBEISA-N	416.506	3.620	50	40	HHGB	
C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)CCC(=O)O)CC[C@H]12	253528854	JQDSGLIUUVQLER-FCMTXYBASA-N	402.535	3.647	50	40	HHGB	
CC1(C)O[C@H](C2SCCS2)[C@@H]2OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1	263611614	XHJRFPYLSPQHBB-XQHKEYJVSA-N	406.642	3.628	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)[nH]c2ccc([N+](=O)[O-])cc12	2205695	LLFJXGVRUPNKMX-DJKKODMXSA-N	401.220	3.911	50	40	HHGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4721525	SUQRFOWTTHDEEJ-NSPHSRALSA-N	407.857	3.580	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1	9971620	ARKOZQJCKGIARI-NHDPSOOVSA-N	424.369	3.601	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)OC)o2)cc1	10475797	AVGXCGVFAMDCHF-BUVRLJJBSA-N	406.438	3.825	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc1OC	33575174	VYZXKJCGMASGKX-VBKFSLOCSA-N	418.236	3.879	50	40	HHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(F)cc1	59459335	MLPVIHABJXJWNO-SSDVNMTOSA-N	405.267	3.996	50	40	HHGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	408891136	MDIXNGVRYTVDNK-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OC	6209989	IXXDDVUVWZOAEF-RIYZIHGNSA-N	400.818	3.991	50	40	HHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3Cl)CC2=O)cc1	9235115	HITPMFPOFCCHPE-HKXVIOCSSA-N	406.269	3.505	50	40	HHGB	
C/C(=N\NC(=O)CCSCCC(=O)N/N=C(\C)c1ccccc1)c1ccccc1	16982895	YJVSXSSWQZKPNG-GJHDBBOXSA-N	410.543	3.581	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCC#N	408905487	ASNQMMMSAOMCSW-PCLIKHOPSA-N	409.486	3.778	50	40	HHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	408986669	SFNBLALQANLTNK-BFTFCADCSA-N	402.498	3.730	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409227627	QZMZDDPRSLMGKZ-QFEZKATASA-N	407.445	3.713	50	40	HHGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1ccc(Cl)cc1	889182	PJXCTIRQIFKVCJ-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccco1	1051875	GGXZNLCVSYHPDB-ZVHZXABRSA-N	422.437	3.735	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nnc1-c1ccc(C)cc1	1474319	TYNVKDDBLSTDIC-PXLXIMEGSA-N	409.515	3.612	50	40	HHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@@H](Cl)/C1=N/S(=O)(=O)c1ccccc1	4173230	YSPGGQPHFYOSNN-HPAYWCODSA-N	401.098	3.693	50	40	HHGB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	4545798	SBHHCZOXYSEEOD-LSCMLXDISA-N	424.501	3.797	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1	6843601	ZCMRGXHRDQGJQN-ZVHZXABRSA-N	406.438	3.554	50	40	HHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1	8838076	FCOSOMJJSQYZRO-LQKURTRISA-N	424.504	3.875	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	28215671	KRFLXYDYOKKPDC-MFKUBSTISA-N	417.465	3.785	50	40	HHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OC	28218082	YBTKSWVUVWYQTG-CIAFOILYSA-N	419.275	3.795	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc(Cl)cc1	40007452	JNDMLDZKHSJQHG-LDADJPATSA-N	414.889	3.987	50	40	HHGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl	409097229	MUBXUVWZAUIVNE-FMCGGJTJSA-N	422.312	3.668	50	40	HHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1	3081749	UQTUBVFETRLEPD-DHRITJCHSA-N	409.873	3.772	50	40	HHGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc1	5408663	HXTLXJSBZBLGFP-IBGZPJMESA-N	402.454	3.874	50	40	HHGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)NCCc1c[nH]c2ccccc12	33690059	SMACVEMOYPPOEI-RGEXLXHISA-N	424.460	3.923	50	40	HHGB	
Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1	100879254	PDNFNPBSCGHJEP-RNJOBUHISA-N	415.125	3.730	50	40	HHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	408800187	NNUZKLMWTVLJLP-YAJBTMAUSA-N	407.470	3.534	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)ccc2C)c(OC)c1	1917804	VGWIYXZUEXAOCE-XDHOZWIPSA-N	420.465	3.506	50	40	HHGB	
C#CCOc1c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1OC	8452595	YEJFUNBMHBJNMQ-GHONEHJGSA-N	421.280	3.932	50	40	HHGB	
N#CC1=CN2[C@@H](C(=O)C3CC3)[C@H](c3ccc(Br)cc3)C(C#N)(C#N)[C@H]2C=C1	9404269	WCXHIOXBJLOALR-CEXWTWQISA-N	419.282	3.575	50	40	HHGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	12769467	KJFXBFRRRHEWHS-UHFFFAOYSA-N	420.265	3.528	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1OC	20248683	FAZSPRHKFJKHNI-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)[C@@]23CC[C@H](C[C@@H]2Br)C3)cc1C	101779197	ZCKNWEUOFNDEGF-ISTRZQFTSA-N	415.353	3.649	50	40	HHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc1	409125315	NCCSPRXAVFDSCC-XQNSMLJCSA-N	407.495	3.584	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	4953272	XGQQAVBHLXNNIB-GDNBJRDFSA-N	414.845	3.836	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1C	5746990	XAAVPMRWMAGOMN-DJKKODMXSA-N	406.236	3.503	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC	19616676	ZMUCMTFCQBHPAB-UHFFFAOYSA-N	400.431	3.646	50	40	HHGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(Br)ccc1O	55075782	KJOFDNKPJXWZKN-UHFFFAOYSA-N	402.292	3.537	50	40	HHGB	
N#C/C(C(=O)CN1CCCCC1)=C1/NC(c2ccc(Br)cc2)=CS1	102949280	WKTCMFHSNJPDIS-OBGWFSINSA-N	404.333	3.874	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1	408608128	VCHUAQKNEWACDA-LJQANCHMSA-N	402.479	3.772	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	408772498	MEBGQFSZUJGPFV-LYBHJNIJSA-N	421.522	3.731	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	408943378	SGPXJIJIXFJPDV-ZOCVZFIWSA-N	409.317	3.766	50	40	HHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1O	409241468	NNJAYJGEGPTGJN-YBEGLDIGSA-N	415.287	3.819	50	40	HHGB	
COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)c([N+](=O)[O-])c1	409382135	LECANODGCRUCDP-GDNBJRDFSA-N	406.398	3.959	50	40	HHGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1I	1453585	GAERVFWSVJXIMN-XYOKQWHBSA-N	419.178	3.745	50	40	HHGB	
CCN(Cc1ccc(CN(CC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl	1592135	AEHLRHNHBHGHBT-UHFFFAOYSA-N	414.160	3.991	50	40	HHGB	
CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NC)N(c3ccc(C)cc3)C2=O)cc1	2383159	BXAXXZDLBCPWLY-ZNCVUUBVSA-N	405.523	3.730	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	9232164	OOYGCUOPCRPXQH-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(N2CCCS2(=O)=O)cc1	26307312	JSUMDXZYHLZOJI-INIZCTEOSA-N	400.591	3.879	50	40	HHGB	biogenic
O=C(N/N=C\c1cc(Br)c(O)cc1O)c1ccc(Cl)cc1Cl	32116971	WTRYDSHCHFTWEG-FXBPXSCXSA-N	404.047	3.931	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccccc1F	60810028	XJIGVWBETKDILI-VULFUBBASA-N	417.396	3.689	50	40	HHGB	
O=C(CBr)c1c(Br)cccc1I	97437873	JGPVLLPBYDYRNF-UHFFFAOYSA-N	403.839	3.631	50	40	HHGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1	102065918	UBDNOFUWNUJFRJ-KKOKHZNYSA-N	421.516	3.766	50	40	HHGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)[C@@H]3[C@H]1CC2	102603745	CRZZFQSJDRYLJT-WSFKTYETSA-N	410.308	3.880	50	40	HHGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	408568243	SEHQUOISLACHTI-XKZIYDEJSA-N	420.381	3.846	50	40	HHGB	
O=C(N/N=C/c1ccncc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408865268	CMMRCZIHUMQCRD-HBAGGBEISA-N	416.506	3.620	50	40	HHGB	
C=C1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@H]12	2362801553	RYJSJNSMAQHFCR-DNVJHFABSA-N	424.613	3.996	50	40	HHGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12	6402853	AQRQAXIJVIVYQL-CQSZACIVSA-N	406.413	3.883	50	40	HHGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C[C@@H](C)c1ccccc1	12816245	IDFGPLUJBDXVCS-ZIAGYGMSSA-N	405.292	3.558	50	40	HHGB	
N#C/C(=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1nc2ccccc2s1	20292508	BQPBTSDVGARJHD-SAPNQHFASA-N	404.495	3.707	50	40	HHGB	
Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c(C)c12	22991311	XXFBOPCDNIVPRK-UHFFFAOYSA-N	412.540	3.811	50	40	HHGB	
O=C(N/N=C/c1ccco1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973722	QCCQUORLLLYDDK-GVFUYMABSA-N	419.506	3.860	50	40	HHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc2ccccc12	409071835	SJFBEHPSXYMXCF-KEBDBYFISA-N	414.215	3.980	50	40	HHGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	977451	MKOOOPQHGZMLSX-YSURURNPSA-N	403.360	3.597	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	2282634	JUMMAKPRWOLXQB-OYHNWAKOSA-N	402.450	3.912	50	40	HHGB	
COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@H]2CC=C(C)CC2)cc1OC	6645931	PSCCBKQWOSWYMT-LEBHPONQSA-N	415.534	3.842	50	40	HHGB	
O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl	8922474	AYHNXGGIXRRETF-UHFFFAOYSA-N	419.915	3.593	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)cc1	12251127	RUDWRMIBJDOKJG-SFHVURJKSA-N	422.466	3.823	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)OC)ccc1OC(=O)c1ccc(Br)cc1	33918656	WEJCOLKWSYJHHQ-JAIQZWGSSA-N	421.247	3.757	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)c1	408527903	GRLJHLSHQWMFDD-AFUMVMLFSA-N	405.454	3.994	50	40	HHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(O)c3)c2C)cc1	408771735	BXLKDPGMQCWGRV-OYKKKHCWSA-N	405.454	3.740	50	40	HHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O	408774370	ZSLBFHKVXRUGFA-PTGBLXJZSA-N	415.559	3.701	50	40	HHGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc2c(c1)OCO2	409142090	LDYHZWYGNQCMMK-DHRITJCHSA-N	405.454	3.920	50	40	HHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409189817	TUNYPUDAHRBNCR-GDNBJRDFSA-N	417.303	3.826	50	40	HHGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCCCc1ccccc1	409237272	HQORUJVCWLJHIY-CXUHLZMHSA-N	413.271	3.834	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	690896	SPWCNAXXIMDVBO-JPYJTQIMSA-N	414.509	3.666	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1	3127261	VOLVFHABTMVNNW-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	24750592	KTQGSPWEUPHBDC-UHFFFAOYSA-N	402.838	3.955	50	40	HHGB	
O=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccco2)CC1	32255736	DMSBJWUTBPZZGN-UHFFFAOYSA-N	403.482	3.870	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c(C)o1	40128819	JDPLUAUBHJFEAV-UHFFFAOYSA-N	409.490	3.657	50	40	HHGB	
Cc1cc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)c(C)o1	48235899	IKMNOTBZDJMKPQ-UHFFFAOYSA-N	417.259	3.652	50	40	HHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)o1	226768692	QMWPJGZMWMBRLX-UHFFFAOYSA-N	418.409	3.718	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OC)c2O)c(C#N)c1C	408547428	WSOLUQVWZDCVMD-RIYZIHGNSA-N	410.451	3.538	50	40	HHGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	408960847	OSHYCOYRJZLOJJ-ZXVVBBHZSA-N	413.521	3.981	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408965378	KYLJSMDGAYCACT-DJKKODMXSA-N	418.203	3.876	50	40	HHGB	
COC(=O)/C(=C\c1ccc(N(CCCl)CCCl)cc1)NC(=O)c1ccccc1	4522882	ZREIWERFWZWBLI-XDJHFCHBSA-N	421.324	3.915	50	40	HHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	4568520	DOKJTUHAPRPLKG-UHFFFAOYSA-N	421.335	3.500	50	40	HHGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N32)cc1	12274949	LRZLHWPYWVHUQM-UWJYYQICSA-N	412.898	3.992	50	40	HHGB	
COc1ccc(C)cc1/C=C/C(=O)NNC(=O)CSc1cccc2cccnc12	12979123	HXNORZNOIZJYJU-PKNBQFBNSA-N	407.495	3.505	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc1OC	26781484	HLTINLIHDMIKRU-JPDUQLBUSA-N	418.449	3.735	50	40	HHGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(Cl)cc1	31783485	MXKIRZHYKKRPLJ-MYKKPKGFSA-N	422.897	3.929	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	33666878	VZVVUUWEMWXKNW-MSXFZWOLSA-N	418.453	3.545	50	40	HHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1c(OC)ccc2ccccc12	408609111	YSWSPDLYQLMGJR-LJQANCHMSA-N	420.494	3.796	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	408744751	HCPCOLIZIPGVLZ-ATVHPVEESA-N	424.453	3.581	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(C)=O	408758749	QHJBEKRBXVTNIJ-RGVLZGJSSA-N	405.248	3.537	50	40	HHGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1C	409196191	UHNKZRZECQJLBU-OBXYEHHASA-N	408.458	3.513	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1	409349428	QYPXXSPILBGRPX-MZJWZYIUSA-N	402.429	3.839	50	40	HHGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	1097096	HNUXELNNKJGIJH-OQLLNIDSSA-N	410.271	3.902	50	40	HHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1	6651481	FPIRKVCJPNQJHQ-OAHLLOKOSA-N	408.429	3.557	50	40	HHGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(F)c3)cc2C1	7402914	IYFHRFOPNNZARL-ZDUSSCGKSA-N	410.536	3.662	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	18182980	KEVFBDIPIKIZEY-IKYHASTISA-N	407.445	3.659	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	59334864	YFWQRUQEIJNQOK-UNOMPAQXSA-N	421.453	3.906	50	40	HHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2)o1	408527077	DWJSTIKIPCNMEH-ZVHZXABRSA-N	400.438	3.970	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1OC	409316949	NVVPGQOPSIXZKI-JAIQZWGSSA-N	407.264	3.716	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1	4699078	WZMIZIKUMANZRE-FOKLQQMPSA-N	408.345	3.638	50	40	HHGB	
COc1ccc(-c2cc(C(=O)NN=C3CCN(C(C)=O)CC3)c3ccccc3n2)cc1	5518148	LMGNQTQTLVMIHE-UHFFFAOYSA-N	416.481	3.639	50	40	HHGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br	6646106	BYYQQJWKQHRRNK-HYARGMPZSA-N	418.291	3.657	50	40	HHGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1c(Cl)cccc1Cl	12800412	UFCOKIWMTSJRNK-UHFFFAOYSA-N	409.294	3.699	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccc2c(c1)OCO2	17091010	FDWWCMGHOXQPRU-MHWRWJLKSA-N	417.377	3.807	50	40	HHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1	59473535	TUIHYNSBVMURET-UFFVCSGVSA-N	402.541	3.573	50	40	HHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)nn(-c2ccc(C)cc2)c1Cl	808873	LYQZYWBLYMFILN-SFHVURJKSA-N	412.877	3.787	50	40	HHGB	
COc1ccccc1N1C(=O)c2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2C1=O	825457	DUOBBWKQZGCBSA-UHFFFAOYSA-N	418.361	3.623	50	40	HHGB	
COc1cc(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	6201554	RXZZSGLZXQOMPV-KEBDBYFISA-N	407.264	3.547	50	40	HHGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccccc2)o1	6579613	RGSDNQGLRNDYFO-FSJBWODESA-N	412.829	3.916	50	40	HHGB	
CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cs1	44028544	LJVNPRJDCXRVHY-WQLSENKSSA-N	419.304	3.824	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2	96113944	FJYNDFKPTXAGDQ-PBHICJAKSA-N	419.572	3.896	50	40	HHGB	biogenic
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408610979	PFIOTRKRNQAFFB-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1	409195937	WUJMZMCIIBEVTJ-GDNBJRDFSA-N	408.414	3.756	50	40	HHGB	
Cc1cc(I)ccc1NC(C#N)=C1C(=O)c2ccccc2C1=O	954538	UKGVERLAPHIVIS-UHFFFAOYSA-N	414.202	3.868	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C/c3cccs3)c(=O)c2c1-c1ccccc1	1783971	IGJGZLGSWWFRSF-LSHDLFTRSA-N	408.508	3.645	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1	5883893	RAQIPDWFTSXDRZ-SFHVURJKSA-N	417.425	3.992	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1	6450544	XVWMLABAJMMPIY-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1C	8343839	BLNQFOYMEIAFQW-SMHZUEHJSA-N	410.499	3.607	50	40	HHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)oc12	409095726	INLATXJQKSGIIJ-UFWORHAWSA-N	418.749	3.675	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)o1	409391149	HRGLBXYUSAGVEJ-BRJLIKDPSA-N	419.412	3.972	50	40	HHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1	716150	KNEAHPJMMKUXJJ-JOCHJYFZSA-N	420.465	3.837	50	40	HHGB	
COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	1819452	LOZNLSMRLOURIZ-ZNZDAUKMSA-N	408.292	3.571	50	40	HHGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccc(C)cc3)c(=O)c21	2224760	DCANNUZHPHPSJN-JOCHJYFZSA-N	413.477	3.740	50	40	HHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccc(C)c4)c(=O)c32)c1	4393867	WCBVJURUGSIEFR-JOCHJYFZSA-N	413.477	3.740	50	40	HHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc(Cl)c1	59488933	XGHRILNRXIZIGQ-FNORWQNLSA-N	406.685	3.880	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)ccc1Cl	408530701	MNKZYSIFODUQCB-FSJBWODESA-N	412.829	3.916	50	40	HHGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1	408735606	UXUWJDAAJRYLEQ-LDADJPATSA-N	403.394	3.990	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408788110	IKKZBXYQKHGFRW-XNTDXEJSSA-N	414.845	3.836	50	40	HHGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1	408847389	USKUDGOVQAVWOK-JMIUGGIZSA-N	403.232	3.976	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	409195915	SMZCMYXKHKADCG-PFRKPPGBSA-N	400.438	3.550	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3C)o2)cc1	1084967	RRWNPJGRUNQSHZ-ZVHZXABRSA-N	406.438	3.961	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(Br)cc1	1429065	GAIPODPMYABWJV-GIJQJNRQSA-N	412.081	3.741	50	40	HHGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	1472652	VCANEMHUJZELKF-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CCCC3=O)cc1	4417979	IOYAGPUGTRMKNP-VWLOTQADSA-N	410.477	3.660	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)[C@H](C)Cl)o2)cc1	9062273	JBCYAPHZGMXJMQ-NSHDSACASA-N	400.822	3.563	50	40	HHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	9331753	RSVDPDNLIPGFCY-WSDLNYQXSA-N	422.466	3.845	50	40	HHGB	
COc1cccc(C2=C(C#N)[C@@H](c3ccc(O)cc3)n3nc(C(F)(F)F)nc3N2)c1	10031265	MRTQCAINKOIGIZ-QGZVFWFLSA-N	413.359	3.961	50	40	HHGB	
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)cc1	17040959	RPPIBEKYOUOGOJ-LFVJCYFKSA-N	422.485	3.674	50	40	HHGB	
O=C(N/N=C\c1ccc2c(c1)OCCO2)c1cc2cc(Br)ccc2o1	83252628	UJCDZXBVODRCCE-JMIUGGIZSA-N	401.216	3.730	50	40	HHGB	
CCOc1ccc(N2C(=O)C[C@H](SC(Nc3ccccc3)=C(C#N)C#N)C2=O)cc1	113482104	KJQBKZZIPVSDOU-IBGZPJMESA-N	418.478	3.821	50	40	HHGB	
CSc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1	409009819	IKEHNXSGLDHDLJ-DJKKODMXSA-N	403.305	3.891	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccccc3C)o2)c1	409153289	HNDHCDOWZBGXEL-ZVHZXABRSA-N	406.438	3.961	50	40	HHGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c1OCc1ccccc1	706900	VBCPEYJAZGECEK-OAQYLSRUSA-N	420.465	3.919	50	40	HHGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1	4244383	BOSLRKGPSWBXFT-SAPNQHFASA-N	407.474	3.550	50	40	HHGB	
CC(/C=N/NC(=O)c1ccc(OC(C)C)cc1)=N/NC(=O)c1ccc(OC(C)C)cc1	4899223	PSHDSGPITKUEGA-MNXXMNJASA-N	424.501	3.783	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	6235866	YWDOXSDPLLTPKA-ZMOGYAJESA-N	418.453	3.515	50	40	HHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)c1	6648176	GJHPQQWSUQVCSZ-UHFFFAOYSA-N	402.450	3.767	50	40	HHGB	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1	6902583	CKKNAABWEHJPDY-CPNJWEJPSA-N	400.482	3.955	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)[C@@H](C)Cl)cc3)o2)cc1	9062236	VFBLAMVXGIHELN-LLVKDONJSA-N	400.822	3.563	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1	59303019	GNGIAGOLECRMIR-WYMPLXKRSA-N	419.437	3.563	50	40	HHGB	
Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1Cc1ccc(F)cc1	408591971	WUIXZTHCDUOAMC-AFUMVMLFSA-N	409.461	3.740	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCC#N	408742905	QMXSHZWQRVGGQL-ZROIWOOFSA-N	412.243	3.906	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)cc2O)c1	408746810	VYCBEUXZSVXPLL-SDQBBNPISA-N	420.206	3.557	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)C(C)(C)C	408772435	PDRZSOIGOXOASY-PXLXIMEGSA-N	405.495	3.559	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1	408960363	FFISHHLECHRXTC-CIAFOILYSA-N	419.353	3.804	50	40	HHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)Nc1ccccc1Cl	408963687	OLOYXAOSRLKSGP-IUXPMGMMSA-N	415.618	3.806	50	40	HHGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	409195914	SMZCMYXKHKADCG-NFCNUSAFSA-N	400.438	3.550	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	3088272	PQSBBHHXVLNKNM-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OCC	5006535	BMMARCAUSUNGQE-NBIBTJSJSA-N	414.502	3.629	50	40	HHGB	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3ccc(-c4ccc(F)cc4)s3)cnc21	12919168	NBYCPKBLUXTJGV-UHFFFAOYSA-N	423.473	3.955	50	40	HHGB	
O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	33283436	RKJZWHLEOFDDCD-GRSHGNNSSA-N	414.219	3.511	50	40	HHGB	
CCOc1cc(C(=O)OC)cc(N/C=C(\C#N)C(=O)Nc2ccccc2)c1OCC	57413994	TZQURQDQZSFCTI-JQIJEIRASA-N	409.442	3.729	50	40	HHGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	58883050	DSVIAMMLQFVYDP-QVMKDISWSA-N	419.456	3.846	50	40	HHGB	
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccc(C)cc1	59140701	FEDBVYDPYXIIQT-SSDVNMTOSA-N	416.275	3.709	50	40	HHGB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)CC(C)C)cc1	112291055	VXWYDWNEQLWTCP-QNGOZBTKSA-N	424.476	3.526	50	40	HHGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4721518	SUQRFOWTTHDEEJ-QCVIXPQQSA-N	407.857	3.580	50	40	HHGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21	5203874	WMMAXEKWFBLURE-HNENSFHCSA-N	406.873	3.681	50	40	HHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC	5514248	JVUMABCONDRAPB-XYGWBWBKSA-N	404.466	3.976	50	40	HHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc2ccccc2c1	9263150	QZPTUTZSYHUWKS-RGVLZGJSSA-N	416.218	3.914	50	40	HHGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1O	36019116	SGJAAQYBMJLEIB-OEAKJJBVSA-N	402.410	3.949	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2)cc1	408765327	LDINEABHSUQEOF-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
O=C(CSCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	409002604	VPGFFPOBGATYFB-HYARGMPZSA-N	412.515	3.969	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1	409005716	KFGADGUUKCQQRD-BUVRLJJBSA-N	413.905	3.741	50	40	HHGB	
CCCc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1	1750122	MBHORKLWTJDXAP-UHFFFAOYSA-N	404.894	3.515	50	40	HHGB	
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCBr	2180172	HTDTVAQDNZWASE-RVDMUPIBSA-N	402.244	3.813	50	40	HHGB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	6169359	GMQURTZTVMYXKU-UHFFFAOYSA-N	412.423	3.639	50	40	HHGB	
Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)=C1C#N	9019823	LSEDUMRFFRYYNP-KRWDZBQOSA-N	422.466	3.614	50	40	HHGB	
N#C/C(=C\c1cnn(-c2ccccc2)c1)c1nc2ccc(Br)cc2c(=O)[nH]1	25582809	ZLIKIVPQMOIJRU-RIYZIHGNSA-N	418.254	3.935	50	40	HHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1	409184338	KOBZGBCLNOXMQC-QRVIBDJDSA-N	410.426	3.537	50	40	HHGB	
Cc1ccc2c(c1Br)/C(=N/NC(=O)c1cc3ccccc3cc1O)C(=O)N2	18114455	VBIVFHGCQWZMEH-UHFFFAOYSA-N	424.254	3.703	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(F)cc1	3255625	DINBCJXFHCZRNX-VGOFMYFVSA-N	419.250	3.958	50	40	HHGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)OCCO1	4090268	VZQPWOHMINZLLO-ZMOGYAJESA-N	411.889	3.946	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)Nc1ccc(F)cc1	4519859	ATLBXVXTFJTBPU-ZVHZXABRSA-N	406.417	3.999	50	40	HHGB	
CC(C)=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	20059571	PUHAVMHDTGNVHZ-UHFFFAOYSA-N	414.314	3.701	50	40	HHGB	
CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	20210654	UGOPOJYCMCWKSQ-UHFFFAOYSA-N	423.579	3.560	50	40	HHGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)CCC(=O)O	118917025	JQDSGLIUUVQLER-MDBLOBCWSA-N	402.535	3.647	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2OC)c1C	408586426	BYBPTUAWXIRVEM-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
O=C(c1ccc(OCCN2CCCC2)cc1)[C@@H](Br)CBr	575358997	MFGIQCNWVREOAQ-AWEZNQCLSA-N	405.130	3.502	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1	657367	LOPVZRLCZIXWIQ-OEAKJJBVSA-N	419.393	3.587	50	40	HHGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br	994106	VMUUJALQHWJZLY-XMOVILSBSA-N	421.291	3.774	50	40	HHGB	
COc1ccc(NCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1	3392395	OEBIITPNPKSUCW-CVKSISIWSA-N	419.481	3.845	50	40	HHGB	
COc1cc2c(cc1C)/C(=N\NC(=O)CSCC(=O)Nc1ccccc1)CCC2	100286505	BSLUPNSPNUEFRX-CLCOLTQESA-N	411.527	3.532	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCc3ccccc3C2)cc1	408773640	WDHHUFZNSKTXDK-MFKUBSTISA-N	414.465	3.917	50	40	HHGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1Cl	409000896	NRAGMKSPMZZOGC-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409384682	DQFYDUBFXWPDJJ-ZVHZXABRSA-N	404.426	3.736	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2c(C)cccn2c1=O	13779317	CZMGVUJIQQXDAP-NTCAYCPXSA-N	420.856	3.658	50	40	HHGB	
CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(C)cc1c32	95115718	QTIDYIJWNOMILU-DEOSSOPVSA-N	401.466	3.506	50	40	HHGB	
O=C(CBr)c1ccc(Br)c(F)c1I	98210715	AQANLHBNNGATBW-UHFFFAOYSA-N	421.829	3.770	50	40	HHGB	
CC1(C)O[C@H](C2SCCS2)[C@@H]2OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1	263611612	XHJRFPYLSPQHBB-NDBYEHHHSA-N	406.642	3.628	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)cc1	408590518	PGLGXWNDFXJVMK-PCLIKHOPSA-N	403.482	3.964	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408609574	KFVVXMKZFWTCBL-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	408942928	SDQREZMFBGXFEQ-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
C/C(=N\NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)c1ccccc1O	14923225	RVMSZCIQIACYGC-FLFUNREMSA-N	417.440	3.843	50	40	HHGB	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1	40144666	BQEIXBZLSYAQOD-UHFFFAOYSA-N	410.474	3.502	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	59515644	YGUGWPVAJIWJOL-YDZHTSKRSA-N	417.893	3.925	50	40	HHGB	
COc1cc(C(=O)NN)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	226360800	QCBVGJJJEOIIHG-UHFFFAOYSA-N	420.090	3.947	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	408542700	NIHZPROVGVWTMR-LFIBNONCSA-N	402.362	3.889	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccncc2)c(C(=O)OCC)c1C	408546218	FDQLROFHVHVDCO-XNTDXEJSSA-N	412.467	3.524	50	40	HHGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(NC(=O)c2ccccc2)c1	408876525	PSCCCCCKSUQXHV-SYOQMXFQSA-N	415.449	3.619	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	408934226	BMEAMMUAHNPPET-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
O=P(O)(c1ccccc1CBr)c1ccccc1CBr	1870348	VBGIKRJVSPQSFT-UHFFFAOYSA-N	404.038	3.698	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1OC	6286385	YCJFYTIVRZGNBI-ZVHZXABRSA-N	407.470	3.884	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)c1OC	12275651	KTTVGPPYBKWRMT-GAJHUEQPSA-N	422.506	3.655	50	40	HHGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	408567458	FAFYMZSPHZRGMM-YBFXNURJSA-N	403.485	3.603	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1	408893274	DMTIGBVBEBVNOR-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1	409006640	JUZQMNTUTUTCGI-LSHDLFTRSA-N	412.785	3.760	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccn(Cc2ccc(Br)cc2)n1	1089192	ZWHDIJZFFXDBEH-SRZZPIQSSA-N	401.239	3.597	50	40	HHGB	
C[C@H](C(=O)NNC(=S)Nc1ccccc1)c1ncc(C(F)(F)F)cc1Cl	1396666	HUUWGBQNKMIJDJ-VIFPVBQESA-N	402.829	3.875	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	109033374	MJROLKCLKGBZCW-MFKUBSTISA-N	424.884	3.743	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)c(C#N)c1C	408546346	HKIQXRMGOAIMFT-VGOFMYFVSA-N	410.451	3.538	50	40	HHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OCC	409318453	VTAVOKODBOQOOD-JLPGSUDCSA-N	410.470	3.659	50	40	HHGB	
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502638	DBBDLFJAWJBIMQ-SFHVURJKSA-N	417.259	3.780	50	40	HHGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2	6598146	WIOCMONYNCKNQU-UHFFFAOYSA-N	403.331	3.519	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(O)cc3)c2C)c1	9265570	QKFDGUUWBSQDQJ-ZVHZXABRSA-N	405.454	3.740	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408765331	VJVOMELLMARCDG-SSDVNMTOSA-N	420.450	3.764	50	40	HHGB	
O=C(NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	29249904	RTFQQCKJFSGSIW-UHFFFAOYSA-N	423.812	3.554	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	59459731	DBSSLHAENDDVHV-LFVJCYFKSA-N	403.438	3.966	50	40	HHGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408606720	AJWJSAYLDBUYAH-CVKSISIWSA-N	421.884	3.686	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1	408711637	CJQYXVVCSFAVLA-BKUYFWCQSA-N	404.308	3.607	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(Cl)cc1	1296910	BGYYFZMXHFADMI-SSDVNMTOSA-N	417.897	4.000	50	40	HHGB	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)CSc2ccc(Cl)cc2)c1	6559737	IWCZVGRHYNNPQT-UHFFFAOYSA-N	404.919	3.859	50	40	HHGB	
COc1ccc([C@@H]2C(C(N)=C(C#N)C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC	15080281	KCWMSVFVVPVAMM-NRFANRHFSA-N	424.460	3.812	50	40	HHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)c1	408964545	UUYXTRMZGQNDBK-JVWAILMASA-N	416.525	3.520	50	40	HHGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409048554	RXSWFLAXZKCZSX-BMKSIGAJSA-N	411.414	3.829	50	40	HHGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)c1	9089387	NBCZCUWJMYCOLW-MRXNPFEDSA-N	411.458	3.545	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c1C	33304991	KXGKJRMXQRJUEA-MYYYXRDXSA-N	403.482	3.882	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1	33684263	NHHRTFQHAHZRAP-YDZHTSKRSA-N	419.441	3.725	50	40	HHGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccccc3)[C@H]12	102697297	KVUHSMIOTHUGRJ-ZNMIVQPWSA-N	412.448	3.859	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Br)c1	1444638	FUGZTLFLHYVZQK-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)/C=C/c3cccc(C(F)(F)F)c3)ccc21	7989361	CGMRITBAGXVXGK-JXMROGBWSA-N	416.403	3.858	50	40	HHGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21	9487987	AGNVCOYHRCLODT-ZPHPHTNESA-N	416.437	3.951	50	40	HHGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1	226344903	MCFOIVGTWOKGPI-UHFFFAOYSA-N	400.063	3.903	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc(OC)c1OCC(=O)O	408851144	IYSSVEZPMLXVDX-JJFYIABZSA-N	417.849	3.696	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C	409008294	VJODQNICSVQVEC-PDGQHHTCSA-N	406.442	3.594	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	3209788	QCQHNIUNYFSEFT-GZIVZEMBSA-N	400.744	3.829	50	40	HHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccncc1	9666019	ZKISBBXFLWLRQP-JJIBRWJFSA-N	422.510	3.653	50	40	HHGB	
Cc1ccc(OCC(=O)NNC(=O)Cc2csc(-c3ccc(C)cc3C)n2)cc1	12985512	RNVKXJQQVQISKL-UHFFFAOYSA-N	409.511	3.504	50	40	HHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCCC)=C(C#N)[C@H]1c1ccccc1	20347866	VLACVFGPGONBLX-HXUWFJFHSA-N	412.511	3.798	50	40	HHGB	
C=CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409125433	FKPOHSIQDFVQRS-SFHVURJKSA-N	414.303	3.744	50	40	HHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	5175737	WZNHTWILYFURSF-HZHRSRAPSA-N	403.394	3.507	50	40	HHGB	
C/C(CC(=O)C(F)(F)F)=N/NC(=O)c1ccccc1N/C(C)=C/C(=O)C(F)(F)F	8836116	GNZCYLCQIGSZTM-SLCUZYPHSA-N	423.313	3.761	50	40	HHGB	
O=C(N/N=C/c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nn2nnnc12	16450994	MMQWHIWCJWUGCG-PCLIKHOPSA-N	419.448	3.617	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)n1	33336591	XRHSRIUABVCBGS-QRVIBDJDSA-N	406.511	3.915	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	58911529	VOXNVGDHKGGDCG-FOKLQQMPSA-N	421.328	3.910	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1	409006746	KOQJWSGGLVEHRI-CPNJWEJPSA-N	419.485	3.509	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1c[nH]nc1-c1ccc(F)cc1	717414	GKUJGEJKDIGMCJ-QGZVFWFLSA-N	416.391	3.963	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c1	1083335	PRUXBHWYCBGKDD-NLRVBDNBSA-N	417.509	3.625	50	40	HHGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC3CCCCC3)c2C)cc1	13108184	LFLXUTZUIHTJAW-XYGWBWBKSA-N	424.545	3.782	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)c1	13551331	STTQHZDCQVDFHP-XQQQEEOESA-N	416.525	3.802	50	40	HHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567587	YRSXBPMLNHCWQS-AREMUKBSSA-N	422.488	3.678	50	40	HHGB	
COc1cccc2cc(/C=C/C(=O)NNC(=O)CSc3ccccc3F)oc12	14376543	QHSVNIADNPREFS-MDZDMXLPSA-N	400.431	3.533	50	40	HHGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1	35074760	USTYYSNFFDUNJV-LPYMAVHISA-N	421.413	3.603	50	40	HHGB	
CC(C)CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708854	USFQQPANRZCIQG-WYMPLXKRSA-N	404.873	3.835	50	40	HHGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409205840	GFFHPXJBRRZZCT-LDADJPATSA-N	419.485	3.788	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409233509	SPDYHQYBNVBEEG-CFRMEGHHSA-N	424.432	3.843	50	40	HHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1	1052277	APAKQMMDLOGDRN-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)c1	4107015	CZUNOMDHKPGBTG-ZVHZXABRSA-N	405.454	3.740	50	40	HHGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	7347830	YSSFQJNBQUVTNW-WSDLNYQXSA-N	406.866	3.919	50	40	HHGB	
N#CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	16157581	DTDKLOQWTPBKGO-SRZZPIQSSA-N	418.316	3.735	50	40	HHGB	
CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(OCCN2CCOCC2)cc1	20551570	MRECVEPSKCVGDF-DARPEHSRSA-N	415.921	3.595	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Br)c1O	30843477	ATFDREFGMMULHC-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
O=C(CCCSCCCC(=O)N/N=C/c1ccccc1)N/N=C\c1ccccc1	31623613	CDWAGJPFFCBBKY-QFFDILLMSA-N	410.543	3.581	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)C(C)(C)C	408782510	JIQYJQKZGYPHEQ-PXLXIMEGSA-N	405.495	3.559	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NCc1ccccc1	408786492	RDJSVVCZPJURQU-CVKSISIWSA-N	421.884	3.799	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1	1106648	ULOKADSYVZOTTL-ZMOGYAJESA-N	404.422	3.767	50	40	HHGB	in-vitro
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	4738859	UWZHNOUOOPYMQL-SFQUDFHCSA-N	417.494	3.682	50	40	HHGB	
N#C/C(=C\c1cccn1-c1nnc(-c2ccccc2)s1)C(=O)NCc1ccco1	4971202	QKRRWDQBKTYFSG-FOWTUZBSSA-N	401.451	3.812	50	40	HHGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Br)cc2F)cc1	17993333	BQDWZYMYIJCHQJ-GXDHUFHOSA-N	411.252	3.848	50	40	HHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc2cc([N+](=O)[O-])ccc2o1	408964918	INUXLCAJWMFIKR-QGMBQPNBSA-N	404.176	3.573	50	40	HHGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)c1	806405	QTBCQISXXXCVOB-QGZVFWFLSA-N	408.845	3.965	50	40	HHGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1	2369055	HZUKJMMSOVUKHP-BAACNHRGSA-N	418.305	3.905	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1	14162147	COXBJQAYLJSEEJ-OEAKJJBVSA-N	423.473	3.553	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3O)cc2)cc1C	32109660	QRGIEWNMOFYCMF-QFEZKATASA-N	417.465	3.790	50	40	HHGB	
CC(=O)Oc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(N)=O)cc3)n2)cc1	40476995	IZPRSKYBSJIKLA-WJDWOHSUSA-N	404.451	3.811	50	40	HHGB	
O=C(N/N=C/c1ccccc1I)c1ccccc1-n1cccc1	408553402	YRSCLKYIQUYGBK-DEDYPNTBSA-N	415.234	3.846	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2ncnc(N)c12	408972521	DGAJQRJYHHJENF-LIMNOBDPSA-N	422.426	3.514	50	40	HHGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409011696	OFGMYJMIJNQKSU-SSDVNMTOSA-N	403.866	3.535	50	40	HHGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCCC2)c(F)c1	409065132	HREOQRQAZBEJGE-CIAFOILYSA-N	402.451	3.577	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1ccc2c(c1)OCO2	409193890	GZDCCUASUMFPRI-MHWRWJLKSA-N	417.377	3.807	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2	5016811	OHKPGTWAFYJNOT-LCYFTJDESA-N	411.439	3.867	50	40	HHGB	
Cc1cc(Nc2ccc(NNC(=O)c3ccc(F)cc3)nn2)n(-c2ccccc2)n1	5937566	VQAFCQBXIVCSKI-UHFFFAOYSA-N	403.421	3.610	50	40	HHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OC)ccc1OC	6354982	SXOMXJJBLDHGEU-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1cccc(Br)c1	9871343	OFBYUSVMBYKANJ-NSHDSACASA-N	411.683	3.639	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OC	408818340	XPGZGRPIFRXHTN-SXGWCWSVSA-N	400.862	3.979	50	40	HHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1	408840862	CMMAVBINQMRTEL-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1O[C@H](C)C(=O)O	409020717	SJJCXNFFRKTFOH-WMJRALALSA-N	416.817	3.711	50	40	HHGB	
CNC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccccc2F)cc1Br	409077421	DQQOCVGFEKSXMR-AUWJEWJLSA-N	419.250	3.829	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c1O[C@H](C)C(=O)O	409236150	DMRNIULRRIKJNX-WMJRALALSA-N	416.817	3.711	50	40	HHGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409322413	WSJQHGVCDXAKFZ-INIZCTEOSA-N	403.935	3.814	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc(OC)c1OC	1421522	DMLSJIKNZLRKCN-UFFVCSGVSA-N	408.907	3.749	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Br)s1	1425060	SOUGCAIDIXBRIO-FRKPEAEDSA-N	418.110	3.802	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1O	408569741	PTMBYJGWLAUSNV-CIAFOILYSA-N	418.540	3.799	50	40	HHGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(Cl)c2C)cc1	4409040	BJOSWEDJRCACBY-WYMPLXKRSA-N	400.866	3.741	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccc(F)cc1	33410125	DINBCJXFHCZRNX-AUWJEWJLSA-N	419.250	3.958	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408609582	KGNAYHIQBFVKJP-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408954474	XAZHXDIUJZZQTM-OCKHKDLRSA-N	418.203	3.876	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	408968587	ABGYMZUGQKACJY-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccccc1Cl	409237428	WRWYSMQRWSRUBR-UCQKPKSFSA-N	401.894	3.868	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1O	657017	OKONXVZEZAMURO-BUVRLJJBSA-N	403.438	3.807	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nnc1-c1ccc(C)cc1	1474357	OARXDWDMWMHGIW-LPYMAVHISA-N	409.515	3.524	50	40	HHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1OCC	3088262	ULUOHIOGCHNNMG-LPYMAVHISA-N	403.866	3.616	50	40	HHGB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)[C@H](C)Cl)c3)o2)cc1	9062254	OWTKBGYEBIIQPE-NSHDSACASA-N	400.822	3.563	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)c1	18255856	JJRVIHWWZZMRLG-ZDEQEGDKSA-N	415.125	3.730	50	40	HHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1	40161454	POHPDDQEPLFWOZ-AQTBWJFISA-N	406.511	3.720	50	40	HHGB	
COc1ccc2c(c1)c(C(=O)NN=Cc1cc(Br)ccc1O)c(C)n2C	252680250	YAAUYXJIBYCKLW-UHFFFAOYSA-N	416.275	3.727	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(I)cc1	408772787	RFDXXJWMJYDHGR-WOJGMQOQSA-N	423.210	3.662	50	40	HHGB	
N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@@H]1c1ccco1	409148206	OYUYXDWIQUGRNZ-NSHDSACASA-N	405.838	3.783	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)cc1[N+](=O)[O-]	409366630	XHTMRUCRHUZNRU-YDZHTSKRSA-N	421.409	3.627	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccccc1	658001	MYNHAMOECFFNPK-MFKUBSTISA-N	418.449	3.995	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	1086658	VAVWAVQFHZDZDT-OVCLIPMQSA-N	401.260	3.690	50	40	HHGB	
O=C(CCCSCCCC(=O)N/N=C\c1ccccc1)N/N=C\c1ccccc1	31623612	CDWAGJPFFCBBKY-BOYKQRMESA-N	410.543	3.581	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	58900655	OOGLZAFXOVNZHF-OEAKJJBVSA-N	418.409	3.620	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)c(OC)c1	95532816	FAVUOMAXMGZOGC-FLFXYHILSA-N	418.449	3.735	50	40	HHGB	
CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519243	UZRYKMHGVOTQDA-JKSUJKDBSA-N	416.280	3.583	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2c(O)ccc3oc4c(c23)CCCC4)cc1OC	2397566	KSJLXPGRXSTBKO-ZMOGYAJESA-N	408.454	3.727	50	40	HHGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)cc2)CC(=O)N1	6323791	BYJXYFDMUMHPIM-SFHVURJKSA-N	415.559	3.806	50	40	HHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(I)cc2)c(O)c1	10118562	QXRZGWXBPDPALX-VXLYETTFSA-N	424.238	3.548	50	40	HHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)NNC(=O)c1ccccc1	20759890	ZWADEYKBLGBGQM-UHFFFAOYSA-N	423.281	3.597	50	40	HHGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)cc2)nnc1-c1ccc(C)cc1	30735447	OARXDWDMWMHGIW-XKZIYDEJSA-N	409.515	3.524	50	40	HHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C	59333273	VUHFQWBYWPJIED-NMWGTECJSA-N	411.505	3.683	50	40	HHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(Cl)cc1	226336209	JKHRSSZDGZARNS-QPJJXVBHSA-N	411.683	3.693	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408609641	KUIDTKVARDPULJ-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccco1	408758590	NGWJZMWRSXQFGS-HZHRSRAPSA-N	420.446	3.964	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	409180558	ZTJKHJKUOYVPHS-SRZZPIQSSA-N	424.369	3.844	50	40	HHGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1	409265313	SDEJJFPMBYGDGM-HURLIOHXSA-N	419.403	3.607	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(O)c1	409392068	NRLXMUIVOXDTTP-UFFVCSGVSA-N	415.789	3.986	50	40	HHGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	778258	BOVWZEVUEULZNO-GHRIWEEISA-N	419.462	3.672	50	40	HHGB	
C[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccccc2)[C@@H]1Cl	4746261	HCSIHWBZGLSAHA-LHLQUDMSSA-N	401.098	3.693	50	40	HHGB	
COc1ccc(Br)cc1/C=C/C(=O)NNC(=O)c1ccc(Cl)cc1	6457842	OVJCHRXEBAYAHM-RUDMXATFSA-N	409.667	3.586	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccco1	8043703	QEEORLVMGTVDHN-GIJQJNRQSA-N	404.176	3.974	50	40	HHGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	8300911	BYDBFHATMPFIOD-CQSZACIVSA-N	402.516	3.644	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cn1	31839360	JGQWCNDEDVZQPC-KSEXSDGBSA-N	410.361	3.694	50	40	HHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408706525	AUKIWGFWEQAQQP-BHGWPJFGSA-N	414.824	3.582	50	40	HHGB	
O=C(N/N=C/c1cccs1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	408864092	SRLRNRKJHPDQLT-JJIBRWJFSA-N	404.539	3.834	50	40	HHGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1	408898889	NHZOGGMCMPQNTP-YDZHTSKRSA-N	407.357	3.717	50	40	HHGB	
COc1c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cccc1[N+](=O)[O-]	408903832	ABISWNWQFYAKIR-NVMNQCDNSA-N	407.224	3.830	50	40	HHGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2cccs2)cc1	5894731	GIESUNVACRQANQ-YDZHTSKRSA-N	407.451	3.883	50	40	HHGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1	97959752	QEZJVWBHZOBALV-BJMVGYQFSA-N	409.199	3.574	50	40	HHGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408609669	LAQYZHXVKVVPRV-WYMPLXKRSA-N	422.312	3.939	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc2c1OCO2	408936096	FLIJGQVAKZIIQB-ZBKNUEDVSA-N	417.215	3.697	50	40	HHGB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1cccc(C(=O)O)c1	3324319	OPXVODMLMGLODY-INIZCTEOSA-N	424.284	3.589	50	40	HHGB	
CC1(C)CC(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC(C)(C)N1	5442965	GAGYRXAMCCECTP-GBLZOACLSA-N	413.400	3.571	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	5880431	TYMXZOVLXYVMPB-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
Cc1cc(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O	7386975	JTKBZRCSDHKDMS-CIAFOILYSA-N	402.292	3.827	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2	206239832	FJYNDFKPTXAGDQ-RHSMWYFYSA-N	419.572	3.896	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc2c(c1)OCO2	408846391	JDCJTWAQBGSQQN-UUASQNMZSA-N	414.845	3.651	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br	409361343	GYWGSOFJHZFDCZ-UFFVCSGVSA-N	409.715	3.731	50	40	HHGB	
COc1cc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1	1410852	ULJMOLQZHYLERG-UHFFFAOYSA-N	421.522	3.854	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	1791106	DEQXMLPVEJJEKD-MDWZMJQESA-N	400.774	3.937	50	40	HHGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	4555268	CSRCVGNSDQWZRO-YJBOKZPZSA-N	403.837	3.602	50	40	HHGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(Cl)ccc1O	4680064	ISEPUXSAZFVVFY-GFMRDNFCSA-N	405.841	3.727	50	40	HHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	33491852	YQVAFAYAIZKMOA-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC	105793426	VOQHMPIEZQLVDR-AFUMVMLFSA-N	415.449	3.524	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)c1	408599494	VQKUIVZQBSIBIM-LPYMAVHISA-N	407.382	3.795	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/C=C/c1ccccc1	408964158	PUYNLNDNQZDAEL-JQRUTQEGSA-N	407.514	3.720	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccn1	408967015	ROECLJYXMUPYMQ-FSJBWODESA-N	403.398	3.907	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2I)ccc1O	941183	OAPATLQDTNJYKJ-XYOKQWHBSA-N	420.206	3.551	50	40	HHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nnc1-c1ccc(Cl)cc1	1258035	ASQZCRRWNXHBEE-SSDVNMTOSA-N	417.897	4.000	50	40	HHGB	
COc1ccccc1/C=N/NC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1	1302593	RHOXDBUGLBKBLE-WYMPLXKRSA-N	424.453	3.844	50	40	HHGB	
COc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1	2783622	RTIUUDFMOSXCEP-UHFFFAOYSA-N	400.287	3.642	50	40	HHGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cncc(Br)c3)o2)c1	9434509	GSIWKNOSYOBTBY-UFFVCSGVSA-N	414.215	3.566	50	40	HHGB	
Cc1ccc(-n2nnc(C(=O)NNC(=O)c3oc4ccccc4c3C)c2C(C)C)cc1	40144206	WRKZLWNYBPZOFV-UHFFFAOYSA-N	417.469	3.829	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(CC)cc2)c2ccccc21	409364938	RMZJVQPPYAFJJL-MFKUBSTISA-N	405.498	3.768	50	40	HHGB	
O=C(CCCCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	2344316	RECKJFNRIVPJHM-KOJZRSEWSA-N	400.429	3.516	50	40	HHGB	
O=C(NNC(=S)NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1	6505315	JYLSPAABWBQTDA-UHFFFAOYSA-N	402.690	3.596	50	40	HHGB	
CCSc1nc(C)cc(OC/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc2)n1	16693659	ZKBNZDILWULUQO-NCELDCMTSA-N	422.510	3.816	50	40	HHGB	
COc1ccc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)c(OC)c1	33533977	FAVUOMAXMGZOGC-RVZOMNRZSA-N	418.449	3.735	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccccc1Cl	40007451	USGHZYYICLCRRE-LDADJPATSA-N	414.889	3.987	50	40	HHGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(-n2cc[nH]c2=S)cc1	40119788	NRSKVMOXZZCTSP-UHFFFAOYSA-N	412.540	3.940	50	40	HHGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)[C@H]3[C@H]1CC2	101141765	CRZZFQSJDRYLJT-HDBZGKQISA-N	410.308	3.880	50	40	HHGB	
O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1cccc(C(F)(F)F)c1	408963852	PRVCIAQESLLZJP-YXSASFKJSA-N	415.165	3.961	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409225799	LFECICWPOXKQKJ-YSMPRRRNSA-N	419.456	3.844	50	40	HHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1	1952938	WNFLGEMBCRFNNH-FOKLQQMPSA-N	411.845	3.624	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OCC)c1	4512430	YHNXEQYYFYSFCN-MHWRWJLKSA-N	410.382	3.683	50	40	HHGB	
CN1C(=O)[C@@]2(c3ccccc31)[C@H]1C[C@@H](C(C)(C)C)CC=C1C(C#N)=C(N)C2(C#N)C#N	4631764	MHTZLADISVCCNT-AMBFMVRQSA-N	411.509	3.683	50	40	HHGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(COc2ccccc2)o1	16123574	IGIACFFIVDOBAT-UHFFFAOYSA-N	422.462	3.635	50	40	HHGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c1C	30843279	FQCGLIKIEBPEPP-OCKHKDLRSA-N	406.236	3.503	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Br)c([N+](=O)[O-])c1	211578733	JXTRISAQJWGHNP-WQLSENKSSA-N	402.204	3.912	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1[N+](=O)[O-]	408874001	YLLAFIMDTIFWRU-JMIUGGIZSA-N	410.342	3.541	50	40	HHGB	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	14886694	QFSRZKCPYBVODX-UHFFFAOYSA-N	401.488	3.659	50	40	HHGB	
C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)C(F)(F)F)c1	17091303	MPUCIIKHRRXRER-WNFQYIGGSA-N	418.169	3.697	50	40	HHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)Cc1cccc2ccccc12	100522810	OGAPYWCBJSKVIG-WGOQTCKBSA-N	417.465	3.674	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1cccc(F)c1	408798460	IKMFBXIQMLOQIR-XDHOZWIPSA-N	412.461	3.863	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1	1022616	KRLDDBRPIRPCRB-OAQYLSRUSA-N	416.437	3.908	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3o2)c(OC)c1	2888128	GHRVEEBJNOAQTA-GZTJUZNOSA-N	402.406	3.870	50	40	HHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\C=C\c1ccc3c(c1)OCO3)CO2	4720815	WWFBUYGELSIGQA-JIWQMJMGSA-N	408.454	3.668	50	40	HHGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1	6615034	SYQJVKGFXIIGHN-UFWORHAWSA-N	414.318	3.522	50	40	HHGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(F)cc3)cc2)cc1	58883075	PDKIYHKEYDYQAT-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)c1	96466806	MFAIPKRPMUPQED-GHXNOFRVSA-N	420.206	3.551	50	40	HHGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3ccccc32)C1	102647531	ZEZDYPHDOCBMOF-PMYGEFLDSA-N	420.513	3.618	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)c1	408970285	FHDGELGBGDDWMC-VULFUBBASA-N	422.916	3.822	50	40	HHGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)NCc1ccccc1	409054907	HETGRTHYXYJDCQ-RCCKNPSSSA-N	411.461	3.927	50	40	HHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1	716148	KNEAHPJMMKUXJJ-QFIPXVFZSA-N	420.465	3.837	50	40	HHGB	
COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)CCCl)CC2	4088224	IFBKIXMRSJRCEZ-SFHVURJKSA-N	407.869	3.977	50	40	HHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2)nnc1-c1ccc(OC)cc1	4903763	YRUBBXJBUKLMDR-JCMHNJIXSA-N	409.515	3.606	50	40	HHGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc(Br)cc1	16428180	SZRJCBLMQBFAKF-VZUCSPMQSA-N	416.187	3.632	50	40	HHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1O	58854525	HKDTWLKVGQLEIR-VURRPDKYSA-N	409.305	3.794	50	40	HHGB	
CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)O)[C@@H]2Br	100015323	KLQXPQPDNRXJMU-BDGWPESGSA-N	404.924	3.757	50	40	HHGB	
CCOc1ccc(N2C(=O)C(Cl)=C(/C(C#N)=C3\Nc4ccccc4N3C)C2=O)cc1	102890105	UUQFAWZACUQNQC-HMMYKYKNSA-N	420.856	3.748	50	40	HHGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2OC)cc1	102944344	RLDFVYBQVKVHJO-YDZHTSKRSA-N	419.865	3.988	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2)c1C	408586454	CDINRQJICXLUIM-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)c1	408589047	KMAKQUSLRBABIT-YDZHTSKRSA-N	422.441	3.783	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1OCC	409326273	JFZOHTBXQONQRG-MTJSOVHGSA-N	419.275	3.882	50	40	HHGB	
Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc(C)c1Cl	3038563	AKLRSPFTDIRONW-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(O)ccc1Br	3148672	POHQWMNYJYRRCJ-FBCYGCLPSA-N	418.074	3.991	50	40	HHGB	
COc1cc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(F)cc2)ccc1OC(C)C	4513987	CRGVOHPKYVUTRN-LJQANCHMSA-N	413.474	3.921	50	40	HHGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1	4863327	BFRCHDVPCKEBRT-XIEYBQDHSA-N	409.530	3.740	50	40	HHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(Cl)c3)CC2)cc1	5489236	OPAWOLIYDYGTDK-HMMYKYKNSA-N	401.919	3.609	50	40	HHGB	
O=C(N/N=C/c1c(F)cccc1F)c1ccccc1NS(=O)(=O)c1cccs1	6141792	BLJNLGSSRKDWST-SRZZPIQSSA-N	421.450	3.591	50	40	HHGB	
COCCn1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C	6201885	YZLIZEPRURQXNK-RGVLZGJSSA-N	400.460	3.638	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)c1	33648533	JNGPXVXTXRDPGO-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2C)N2C(=N1)SC(C#N)=C2N	408603358	GASGPVZRGNOFRP-GOSISDBHSA-N	412.515	3.732	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)cc1	408746046	QKAQPVCDWXJYIL-UVTDQMKNSA-N	412.243	3.906	50	40	HHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408995256	LMYHHIKCCXNTHV-ZICWZVMQSA-N	406.895	3.945	50	40	HHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccc(OCc2ccccc2)c1	409366253	TUTJGJXHTMQHBQ-PCLIKHOPSA-N	402.450	3.730	50	40	HHGB	
O=C(NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)c1ccccc1	2350611	FCTBPXPXCJEROE-UHFFFAOYSA-N	416.506	3.752	50	40	HHGB	
O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccnc1	6231435	YFCPQCVXYLJFRM-SLEBQGDGSA-N	406.445	3.916	50	40	HHGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)cc1	13811410	CYBSKIUZKKAIHS-PAYQVUOSSA-N	405.523	3.784	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccccc1	33411672	FJSCTFFCEFCUGG-UQQQWYQISA-N	402.450	3.997	50	40	HHGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2C)c1	408755411	NMUJMIBZIOEHSI-MYYYXRDXSA-N	404.514	3.998	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1	408767477	KWVIMXJKXDXEIK-PDGQHHTCSA-N	408.454	3.961	50	40	HHGB	
C/C(=N/NC(=O)COc1c(C)cc(C)cc1C)c1c(C)nn(-c2ccccc2)c1O	408956208	PXBPKTOBYQRLNI-ULJHMMPZSA-N	406.486	3.731	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1O[C@H](C)C(=O)O	409011425	GNIHHVZBPXLGED-OJLMPMFISA-N	400.818	3.746	50	40	HHGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)OCCCO1	1059571	JKDUDDYENCMRRE-RGVLZGJSSA-N	407.810	3.502	50	40	HHGB	
Cc1nn(CCOP(=O)(c2ccccc2)c2ccccc2)c(=O)c2ccccc12	1064092	XABYJSWHOZJMJS-UHFFFAOYSA-N	404.406	3.651	50	40	HHGB	
COC(=O)c1sc(NC(=O)c2cccs2)c(C(=O)OC)c1CBr	4219029	SITGSHBAORNBFP-UHFFFAOYSA-N	418.290	3.530	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1	4578557	YZPRAEMURCURTA-OEAKJJBVSA-N	403.866	3.557	50	40	HHGB	
COC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1	5443327	LOZNLSMRLOURIZ-ZNOIYHFQSA-N	408.292	3.571	50	40	HHGB	
Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)c(C)c1	18258668	PDNFNPBSCGHJEP-ZDEQEGDKSA-N	415.125	3.730	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)[C@@H]3[C@H]1CC2	20792513	CRZZFQSJDRYLJT-BTINSWFASA-N	410.308	3.880	50	40	HHGB	
CCc1sc(C(=O)NNC(=O)c2ccc(COc3ccccc3OC)o2)cc1C	40144579	HVHWKDJQQVOOJO-UHFFFAOYSA-N	414.483	3.874	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)COc2ccc3cc(Br)ccc3c2)n1	40145259	HUNPYWRWPFUSRH-UHFFFAOYSA-N	401.264	3.531	50	40	HHGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(O)c(O)c3)cc1)C2	59501514	VMVJCEASNWYXOP-BRJLIKDPSA-N	401.466	3.999	50	40	HHGB	
C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)CCC(=O)O)CC[C@H]12	253528853	JQDSGLIUUVQLER-BSNJFGSNSA-N	402.535	3.647	50	40	HHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OC	409127797	QIDBJTBXXDTZIH-MRXNPFEDSA-N	419.275	3.671	50	40	HHGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N1CCCC1	409371057	FQSDDRITBVPWMC-RVDMUPIBSA-N	408.370	3.825	50	40	HHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3F)c3ccccc32)o1	409391133	HNFCRRGEMZPJPX-BRJLIKDPSA-N	419.412	3.972	50	40	HHGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	636721	QTBCCOJTZUJDON-AFUMVMLFSA-N	419.506	3.607	50	40	HHGB	
C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)ccc1O	2766072	IHLTUANOMRLQBG-JHAVZTMOSA-N	414.259	3.621	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1O	7385212	MIAHUQOPEYNREO-CIAFOILYSA-N	418.291	3.527	50	40	HHGB	
N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	8436577	DKEBXYSOYHNDAR-GHXNOFRVSA-N	413.264	3.979	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Br)cc1	8812655	FIKDYXAOHLIBOJ-GIJQJNRQSA-N	412.081	3.984	50	40	HHGB	
N#Cc1cc2c([n+]3c1S[C@H]1CCC[C@H](I)[C@@H]13)C1CCN2CC1	9009053	FSHIZWXDNSZNAI-NOLJZWGESA-N	424.331	3.546	50	40	HHGB	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NC[C@H]1CCCO1	16881165	PRDLKLLZGDBHNT-IDKBZEPQSA-N	401.260	3.911	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OC	28217631	ZDPRPLODVASDAV-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)c1cc2c(s1)CCCC2	32732004	IPAXERXCGBIZPL-UHFFFAOYSA-N	414.918	3.849	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	59101427	CDGYEXWHTLHHKS-AFUMVMLFSA-N	421.428	3.502	50	40	HHGB	
O=N[C@H]1[C@@H]2C[C@H]([C@@H]3C[C@H](Br)[C@H](Br)[C@@H]32)[C@H]1Br	104378739	SZPWXGQNCFUWFY-LQZDVGHJSA-N	401.924	3.698	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)cc1	408794953	JSEPZJSQQFRURD-RIYZIHGNSA-N	400.818	3.689	50	40	HHGB	
COC(=O)Cn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21	409201603	MXKJOQGZSGNICY-LSHDLFTRSA-N	415.902	3.710	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)c(OC)c1	5720336	DHLWWHXBIQPIEF-LPYMAVHISA-N	409.467	3.782	50	40	HHGB	
COc1ccc2oc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c(C)c2c1	6512086	SLIMZHIYZJLLHG-UHFFFAOYSA-N	403.394	3.749	50	40	HHGB	
COc1ccccc1NCC(=O)N/N=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	6789704	YSQJGRZQHCJIEO-BHGWPJFGSA-N	415.856	3.544	50	40	HHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9374351	PECTYNWEDBHKMF-LJQANCHMSA-N	422.506	3.901	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1cc(Cl)cc(Cl)c1	13629882	GAPZPXHBNOZNEH-MBBOSUJBSA-N	406.269	3.677	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	19947848	LYBOZYQVYPXKGM-LFVJCYFKSA-N	421.522	3.649	50	40	HHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)C(C)(C)C	19948028	POPIZUAZHVUNTF-OQKWZONESA-N	401.532	3.729	50	40	HHGB	
CCOc1ccc(O[C@@H](C)C(=O)N/N=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1	40073239	GFZYQOLYXDAOJL-JTQLQIEISA-N	422.268	3.632	50	40	HHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CCCC2	4540090	QGHFXDAQBHTVEA-LCYFTJDESA-N	412.467	3.673	50	40	HHGB	
O=C(CCS(=O)(=O)c1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12	24992309	XXUJEXNXNLYHIX-UHFFFAOYSA-N	424.309	3.849	50	40	HHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2CCc3ccccc3C2)cc1	408783965	RBNWJMOXNDSAMA-MFKUBSTISA-N	414.465	3.917	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409040097	SHXIZKRARQHNGJ-CCEZHUSRSA-N	414.461	3.997	50	40	HHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	409048167	QUUCTPYLOQGOOR-UDWIEESQSA-N	418.247	3.615	50	40	HHGB	
Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)c(C#N)c1C	409204430	GMLCWMVFJZHQBU-XSORJCKLSA-N	408.527	3.846	50	40	HHGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCC	409373843	ZMMSCJVWUUAJLW-XNTDXEJSSA-N	405.292	3.942	50	40	HHGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2F)cc1	409375284	IJMUNLMIJYAYLU-QFEZKATASA-N	405.429	3.916	50	40	HHGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(O)c(OC)c3)C3=C2CCCC3=O)cc1	814504	XNLRSCLVPDZTHI-QFIPXVFZSA-N	417.465	3.714	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)cc1Br	989340	JKWJAKPQZYEFSO-HNNXBMFYSA-N	413.202	3.913	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	2282631	JUMMAKPRWOLXQB-QRQCRPRQSA-N	402.450	3.912	50	40	HHGB	
COC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	2426508	VHQXGIQCXSQVKI-GXDHUFHOSA-N	409.829	3.837	50	40	HHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)c1C	4494249	IRLFRICBJGSECL-TTXZLZEXSA-N	420.509	3.962	50	40	HHGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2sc3ccccc3c2Cl)[C@H](C(=O)O)C1	5044978	KEWQRFGHPIAGLB-CHWSQXEVSA-N	406.891	3.763	50	40	HHGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC[C@@H]1CCCO1	13122508	UXWODVQNIBTBKL-ODDCISTRSA-N	400.818	3.500	50	40	HHGB	
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1Cl	25257122	MPPKBPYIPCOPQU-YVEFUNNKSA-N	422.312	3.599	50	40	HHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)o2)c([N+](=O)[O-])c1	35362078	UGKMLRDTTGJJLY-WSDLNYQXSA-N	422.397	3.586	50	40	HHGB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN(CCCl)CCCl	68562338	OJHPKGLOUCYNIY-LCYFTJDESA-N	420.343	3.533	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1	108165116	KNEGGPSSXIYFSN-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)c(Br)c1	408534006	UMNRYEWGJZUFNN-GZIVZEMBSA-N	416.197	3.736	50	40	HHGB	
O=C(NNc1ccccc1OCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1	408601128	ACVKZISXZSLXQL-IBGZPJMESA-N	401.466	3.762	50	40	HHGB	
Cc1cc(NC(=O)N/N=C/c2ccccc2N2CCOCC2)ccc1Br	408904385	IRSTZEDUZUNOLV-FYJGNVAPSA-N	417.307	3.750	50	40	HHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cccc(I)c1	2773228	CNWRZIGFTKNKLY-WUXMJOGZSA-N	418.190	3.566	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1O	3239113	KRFQAKGCNDPXCE-OEAKJJBVSA-N	416.474	3.751	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC	4598874	QBMCDFNIXBLNRU-OQLLNIDSSA-N	410.813	3.604	50	40	HHGB	
O=C(COc1cccc(Br)c1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	6046975	LPFFZARWOOSLFA-UHFFFAOYSA-N	421.335	3.582	50	40	HHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(OC)ccc4ccccc34)[C@H]2C1	8441915	BMLYCPJMQOSECK-URXFXBBRSA-N	423.520	3.984	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)cc1	8811066	RJMHPXDOQVYVQC-ZVHZXABRSA-N	407.470	3.884	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cccc3ccccc23)c1	18145466	MAAZXSGVBRLMRK-MFKUBSTISA-N	405.454	3.992	50	40	HHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1cccc([N+](=O)[O-])c1	33771676	WENIXIINPQRQIJ-MLPAPPSSSA-N	403.188	3.885	50	40	HHGB	
COc1cc(I)c(CBr)cc1Br	169796343	QZHMXZMYQAUYOE-UHFFFAOYSA-N	405.855	3.957	50	40	HHGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1	2328536	XGGAGVLKFDEEJL-IBGZPJMESA-N	405.479	3.738	50	40	HHGB	
O=C(CSc1nc2ccccc2n1-c1ccccc1)NNC(=O)c1cccs1	4829456	AQLOUYREEJBURU-UHFFFAOYSA-N	408.508	3.640	50	40	HHGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(N(C)C)cc4)CSC3=C2C#N)c1	6752518	XAUZZRCKWZYUJC-HXUWFJFHSA-N	420.538	3.981	50	40	HHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1	16440139	WUIBCCWSGLRTLH-NTEUORMPSA-N	415.243	3.877	50	40	HHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccccc2)c(OC)c1	98056629	CQYYHMGYYIFVLE-RIYZIHGNSA-N	401.260	3.690	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OCc1ccccc1	408759289	BKVNLULKVXGALI-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408842619	BGIWOTLYKDJWGX-LGMDPLHJSA-N	421.478	3.612	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1O[C@@H](C)C(=O)O	409223418	ZKWCLPADMVWHNE-CJAAZZPWSA-N	400.818	3.746	50	40	HHGB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1	1690735	ALCSCBFXIKXBRP-KGENOOAVSA-N	414.358	3.591	50	40	HHGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1	3084169	IYYRCLSRGCHABP-KEBDBYFISA-N	409.229	3.771	50	40	HHGB	
Cc1ccc(N(CCI)CCI)cc1	4774295	VLSKREQGMSLFLD-UHFFFAOYSA-N	415.056	3.671	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)c1OC	20029501	OYIIVZCSKQRJOY-SFHVURJKSA-N	421.522	3.919	50	40	HHGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C\c1cc(O)c(O)c(Br)c1	36033995	KRXSUCGJVSZXBC-NKVSQWTQSA-N	421.291	3.821	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	48573094	QJEXOVMUSDQHDO-MFKUBSTISA-N	417.465	3.671	50	40	HHGB	
O=C(CBr)c1ccc(I)c(F)c1Br	98210716	GWQNQQAKIXWRPI-UHFFFAOYSA-N	421.829	3.770	50	40	HHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	408795091	KCBDKBGFLGILKU-NTEUORMPSA-N	404.344	3.803	50	40	HHGB	
O=C(N/N=C/c1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	408829104	KNVPMESDQAFPCV-HBAGGBEISA-N	416.506	3.620	50	40	HHGB	
CCn1cccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O	408933676	JXOTWNYIBYNFON-CAOOACKPSA-N	415.085	3.503	50	40	HHGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1OC	5417370	CHXGGOFPRHZUBL-ZVHZXABRSA-N	417.893	3.729	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(=O)O	5678053	UMCWQIYSXZDUQL-RIYZIHGNSA-N	400.818	3.666	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2\C(=O)N(C)c3ccc(Br)cc32)c1	409110178	TWEGFQVXRQNPMU-SDXDJHTJSA-N	410.271	3.958	50	40	HHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OCC	658720	UZGBZTMGWALQCR-IBGZPJMESA-N	404.422	3.809	50	40	HHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1	951082	RYCUMXLGKQUARK-RIYZIHGNSA-N	416.227	3.757	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1Br)OCO2	1443967	LBABAIPFEHGLFQ-CQSZACIVSA-N	417.259	3.629	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1ccc(C)c(C)c1	2179801	WBZJBFZYEUXVMZ-WGOQTCKBSA-N	419.481	3.929	50	40	HHGB	
COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Oc1nc(Cl)ncc1F	5880363	HWHOBVZFSDQAQB-BHGWPJFGSA-N	414.824	3.763	50	40	HHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c1O	6207177	IEBPUQWVJZXTBC-WSDLNYQXSA-N	409.398	3.625	50	40	HHGB	
O=C(N/N=C\C(Br)=C\c1ccccc1)c1cncc(Br)c1	44950364	ZHILSJLZFJZNIV-WEWJBBPGSA-N	409.081	3.996	50	40	HHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc3ccccc3cc2O)c(OC)c1	101392133	QOWXZKBWPHUGFK-AFUMVMLFSA-N	421.453	3.697	50	40	HHGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1	408706758	DFDBHJKUNKDWDF-WYMPLXKRSA-N	400.910	3.923	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)O	408797866	UBBSQNKXWKIFKT-VIZOYTHASA-N	414.845	3.975	50	40	HHGB	
O=C(N/N=C/c1cccc(O)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409007664	YTVNQWWWCVYAMN-FSJBWODESA-N	420.296	3.702	50	40	HHGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2)cc1	409189955	OHZBVKQURWQHPS-RGEXLXHISA-N	403.482	3.978	50	40	HHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	4402156	MVDFTCLHWFZOLS-YDZHTSKRSA-N	403.866	3.800	50	40	HHGB	
CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)c2ccccc2)c(O)c(C(C)C)c1	14067161	DJEQBCRHBBXIRA-HNNXBMFYSA-N	412.486	3.646	50	40	HHGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)c1nn(CCO)c(N)c1C#N	27531929	ATVPNKZTOKISEU-LICLKQGHSA-N	419.872	3.626	50	40	HHGB	
CC(C)CN1C(=O)/C(=N\NC(=O)CSc2nc3ccccc3s2)c2ccccc21	105509615	FHOPSTIHGLUJJJ-CLCOLTQESA-N	424.551	3.912	50	40	HHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408608272	GZTJBHHDPMFZJX-FOKLQQMPSA-N	408.285	3.549	50	40	HHGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1	408610287	NFAYSWANYACPSG-CIRUFVMISA-N	419.456	3.732	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OC	408962169	QQEQGKIYPAMSTG-AWQFTUOYSA-N	403.778	3.776	50	40	HHGB	
COc1ccc(-n2c(C)nc3ccccc3c2=O)cc1CN(CCCl)CCCl	1753122	WWVGNCMLNMXQQS-UHFFFAOYSA-N	420.340	3.982	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O	4205638	VEDNEVFVVXKRSV-NBVRZTHBSA-N	414.465	3.567	50	40	HHGB	
C[C@H](SS[C@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	16923309	XECVLZRXNQEVNJ-TXEJJXNPSA-N	412.492	3.652	50	40	HHGB	
COc1cccc(CC(=O)N/N=C/c2cc(Br)c(Br)o2)c1	23410777	PCLGTEQMYDDEJV-CAOOACKPSA-N	416.069	3.506	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1N1CCOCC1	33626849	BKLQXMYTWQRSAG-LPYMAVHISA-N	424.482	3.718	50	40	HHGB	
O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	33958086	PJKJDQKITGLJEW-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1C	58912946	LXCKULKENNHSLC-DHRITJCHSA-N	406.461	3.939	50	40	HHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	58913366	SZZHENSTRYVFNA-ZMOGYAJESA-N	424.888	3.845	50	40	HHGB	
O=C(N/N=C1\C(=O)[C@H](Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cccc(F)c1	59461469	FQIJDKSXGBERFK-DFBXPRTLSA-N	417.396	3.777	50	40	HHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl	59678956	GOQQMMLBICASLL-IFRROFPPSA-N	401.633	3.874	50	40	HHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NC1CCCCC1	409152955	CFYDEQVTDHLDOT-NBVRZTHBSA-N	404.514	3.620	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409179546	QBTQCEVXKWSRSG-SRZZPIQSSA-N	424.369	3.844	50	40	HHGB	
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1	1421530	BZTSBGUQJVZIOG-MFKUBSTISA-N	416.433	3.903	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)cc1	4539951	CYBSKIUZKKAIHS-LBMWUGKUSA-N	405.523	3.784	50	40	HHGB	
COc1cc(C(=O)N/N=C(\C)c2cc(C)ccc2OC(F)F)cc(OC)c1OC	7140990	CYOAZBSTZYKLTO-FSJBWODESA-N	408.401	3.776	50	40	HHGB	
Cc1cccc(C)c1NC(=S)NNC(=O)c1cnn2c(-c3ccccc3)ccnc12	40143585	JTLOSBSADAJZJI-UHFFFAOYSA-N	416.510	3.645	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCC	408542059	JSKOJHZXGBRNLH-SXGWCWSVSA-N	424.840	3.995	50	40	HHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Cl	408591951	WSPLXZFHVZZKLZ-UFWORHAWSA-N	413.655	3.589	50	40	HHGB	
CN1C(=O)/C(=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c2ccccc21	409332081	PHZWOUWTVNYGFC-XTCLZLMSSA-N	413.502	3.987	50	40	HHGB	
CCOC(=O)Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	818725	CPTNFKQUMMWOCK-OAQYLSRUSA-N	419.481	3.655	50	40	HHGB	
N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@H]1c1ccc(Cl)cc1	4486979	UNXZFFOBSNFTBP-INIZCTEOSA-N	403.935	3.861	50	40	HHGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)Cc3nc4ccccc4n3C)c2Cl)cc1	6650329	TXHYCUNIDRUAIJ-ZMOGYAJESA-N	420.904	3.722	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-]	7735302	NUWYFQIBAFROSN-UHFFFAOYSA-N	405.819	3.546	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N32)cc1	12275467	RFOKVWUUYIKRAQ-GCJKJVERSA-N	410.470	3.868	50	40	HHGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)CSCc1ccccc1	18191883	UNWYXKWCLUETSJ-UHFFFAOYSA-N	415.902	3.998	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(CCC(C)C)CSC3=C2C#N)cc1OC	20348138	RHNBNBOHYYSOCX-MRXNPFEDSA-N	401.532	3.765	50	40	HHGB	
CCCc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2n1	35291551	AUQVOMCOZPLMRS-UHFFFAOYSA-N	414.918	3.789	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1	58913868	BMRYBXOECOWPKH-YVNNLAQVSA-N	409.317	3.766	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1OC(=O)c1ccco1	1084697	HLTHUHQWQHYJSN-YDZHTSKRSA-N	424.457	3.682	50	40	HHGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)c1OC	2331979	BRLJCNOYHPSOLN-KRWDZBQOSA-N	407.495	3.923	50	40	HHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1	2421945	LDJJIPZNITVQHV-SAPNQHFASA-N	414.465	3.761	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc(F)cc1	40006536	HRQFYDXVIYKTQQ-CPNJWEJPSA-N	412.461	3.863	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532856	CCUZTXYCFSHFSR-LQAUXRIUSA-N	403.394	3.626	50	40	HHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	100879231	JJRVIHWWZZMRLG-FNFFVJSTSA-N	415.125	3.730	50	40	HHGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(N2CCCCC2)cc1	33571471	BUJXCYMKYYAELT-HMAPJEAMSA-N	416.319	3.969	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	58887845	RNKCYOUPGHTWBK-NMWDDECMSA-N	420.469	3.966	50	40	HHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)cc2)cc1	408746995	XSNQCQBUOGMMGQ-RAXLEYEMSA-N	404.207	3.845	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1	2658316	QZUQQKKIZKXEFM-CIAFOILYSA-N	417.874	3.806	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1	4687646	KAOIYYNCAMVMHV-XMGKXQPASA-N	418.522	3.735	50	40	HHGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc1	5408672	HXTLXJSBZBLGFP-LJQANCHMSA-N	402.454	3.874	50	40	HHGB	
O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	6322930	YHUKLGVYPAGCSY-WYMPLXKRSA-N	412.902	3.951	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	6490608	IKEMSZIFMXHMFS-CJLVFECKSA-N	418.493	3.627	50	40	HHGB	
CC(C)Oc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1	10118611	DSLHAJLAKKHYKP-YBFXNURJSA-N	408.239	3.842	50	40	HHGB	
CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1cc(Cl)cc(Cl)c1	13629883	GAPZPXHBNOZNEH-GESOSKEOSA-N	406.269	3.677	50	40	HHGB	
CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	15083787	AZYICYHOWNHNLP-ZDUSSCGKSA-N	423.885	3.765	50	40	HHGB	
CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1cccs1	19597264	IAWHJHFTECDIBW-GOSISDBHSA-N	419.572	3.609	50	40	HHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248243	OZNFIJGHSHQRTG-NSHDSACASA-N	418.316	3.543	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	408981235	VLVJNDUTPUHBSA-ALAMRGAJSA-N	401.466	3.707	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1Cl	3169537	HHVIZGHXTNNZEJ-ZMOGYAJESA-N	409.829	3.727	50	40	HHGB	
CNC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O	4205480	HYAMFJMJMYUAOZ-FOWTUZBSSA-N	402.454	3.572	50	40	HHGB	
COc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	19597309	XSZWZHNZXCTNLV-LADGPHEKSA-N	423.520	3.982	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c1	107868887	DDFFBDKOPXEIFU-CVKSISIWSA-N	412.449	3.860	50	40	HHGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(F)c1	408541286	FRHHGZLFOVUSII-BHGWPJFGSA-N	405.385	3.884	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	408567509	OAMUYSWUNCBKRR-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408612684	WWJIQJBYZLDGEA-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC#N	408794084	RHUQMVWBXZQLPZ-NTUHNPAUSA-N	412.789	3.705	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Cl)cc1Cl	409234931	AXLSSYXWPSQJKB-MLPAPPSSSA-N	420.252	3.683	50	40	HHGB	
COc1ccccc1Cn1c(C)cc2c(c1=O)[C@@H](c1ccccc1F)C(C#N)=C(N)O2	2214954	PWGDDGZMWSONLR-NRFANRHFSA-N	417.440	3.571	50	40	HHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)c1C	5870593	QCCVOBQHRBJAOB-XDHOZWIPSA-N	422.485	3.562	50	40	HHGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccncc1	100522694	HRLLTJKYXVBYJF-YZSQISJMSA-N	402.454	3.795	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1	107586299	VMZXLRBPLLFSOT-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C	408526384	BUPHFLDEZHKWPS-MFKUBSTISA-N	419.481	3.800	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408609065	JGVRBWWKKQWPSN-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1	408832710	ZRNCPIDSUGLHAZ-LGMDPLHJSA-N	421.478	3.612	50	40	HHGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(NC(=O)c2ccccc2)c1	408876526	PSCCCCCKSUQXHV-XDEFOSFOSA-N	415.449	3.619	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1OC	622668	HBSYUBKBHDFTOC-QGZVFWFLSA-N	408.845	3.965	50	40	HHGB	
COc1ccc2nc(NC(=O)CCC(=O)N/N=C/c3ccc(Cl)cc3)sc2c1	2401270	CRWYQCIXWXEDLG-SRZZPIQSSA-N	416.890	3.827	50	40	HHGB	
CCc1cc(SC#N)cc(CC)c1NS(=O)(=O)c1ccc2c(c1)OCCO2	2640232	DNEVXZCJGJZYES-UHFFFAOYSA-N	404.513	3.957	50	40	HHGB	
Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	3099280	JACSIIQUCNQEJF-YDZHTSKRSA-N	418.409	3.625	50	40	HHGB	
CCC(=O)NNC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@@H](C)C3	4847494	PBBUYJTVRYZVDW-LLVKDONJSA-N	406.577	3.589	50	40	HHGB	
Cc1cc2occ(CC(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2cc1C	6506428	DAKGMBRTGIFVEH-UHFFFAOYSA-N	401.422	3.977	50	40	HHGB	
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1	7386247	UZHUZZBDBIGPBI-XQNSMLJCSA-N	403.442	3.750	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	409149447	GLXBRRASWVDLMV-BUVRLJJBSA-N	419.437	3.875	50	40	HHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2	979626	LUUVTTQFBVWLQK-FBCYGCLPSA-N	411.639	3.604	50	40	HHGB	
CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	1084913	ROYSFEHXLMBNLJ-LFMVTYOGSA-N	412.265	3.727	50	40	HHGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1c(C)[nH]c2ccccc12	3067372	GADSAPUEXIXBDW-UFFVCSGVSA-N	416.275	3.777	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1	3212451	UPNJEPREUZEETI-SSDVNMTOSA-N	409.398	3.698	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	4658876	HECHIVGGVVRCJF-UUYOSTAYSA-N	406.398	3.560	50	40	HHGB	
COc1cc(/C=C(\C#N)C(N)=O)c(Br)cc1OCc1ccccc1F	4698767	SHMQNYBTMSEKGE-AWNIVKPZSA-N	405.223	3.568	50	40	HHGB	
COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)OCc2ccccc2)=C1C#N	8973272	WEKDILQHRJEKSH-KRWDZBQOSA-N	408.479	3.510	50	40	HHGB	
O=C(Cc1cn(Cc2ccccc2)c2ccccc12)N/N=C1\C(=O)Nc2ccccc21	12346608	OITANWHCNSVABM-UHFFFAOYSA-N	408.461	3.705	50	40	HHGB	
Cc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1	12765102	FHMWCVUNHPAPNF-INIZCTEOSA-N	420.440	3.594	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc2c1OCCO2	58915686	HFNFXTQZNHDVSH-KEBDBYFISA-N	421.316	3.604	50	40	HHGB	
COC(=O)[C@H]1C(=O)NC(SCCCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409131213	KFIZVGCBWQNHEM-VQTJNVASSA-N	406.507	3.790	50	40	HHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1O[C@H](C)C(=O)O	409241295	SSAKJJRGPZZSPD-XTCQQWIJSA-N	400.818	3.746	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC	409324560	TVDKPOTVTXAMMZ-UUYOSTAYSA-N	406.866	3.919	50	40	HHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4)CSC3=C2C#N)cc1	2432437	ULSTXSHQQKSCFY-LJQANCHMSA-N	407.495	3.923	50	40	HHGB	
COc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1	6235906	CIELMNDGWGQWMM-OEAKJJBVSA-N	406.442	3.704	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Cl)cc1OC	6350883	XGIQFLYMGSQMCS-AUWJEWJLSA-N	400.818	3.991	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1	13685979	FQKMHPBBCHWBKT-TVJQZGFISA-N	411.914	3.821	50	40	HHGB	
COc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(C)(C)CCl)c2cccs2)cc1	17112971	QUKRFCCCKIGXAJ-INIZCTEOSA-N	415.964	3.653	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)n1	22476524	RXHJMFVSBJSERW-UHFFFAOYSA-N	407.421	3.922	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	59366762	JOZWYCDDIUNSGW-LYBHJNIJSA-N	421.522	3.731	50	40	HHGB	
Cc1ccc(S(=O)(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1	104385527	ALCSCBFXIKXBRP-STZFKDTASA-N	414.358	3.591	50	40	HHGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC	408779436	WVIUJQJTFNYZAK-FXBPSFAMSA-N	417.509	3.906	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCC(=O)O	408818182	NFEUGBCFLIPRSD-CFRMEGHHSA-N	422.437	3.787	50	40	HHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cccc(Br)c2)c(OC)c1	408867170	JUJRTBNHWMOXRR-OVCLIPMQSA-N	401.260	3.690	50	40	HHGB	
Cc1cccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1C	408923184	UEHNSEFEUWJMIN-UHFFFAOYSA-N	413.543	3.935	50	40	HHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)cc1OC	409303210	MEXYHKLLRCSVLH-JAIQZWGSSA-N	407.264	3.629	50	40	HHGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[N+](=O)[O-])c1	1433854	JDMFTSYCMZQENH-YDZHTSKRSA-N	419.393	3.592	50	40	HHGB	
IC[C@@H]1CNC(=[N+](Cc2ccccc2)Cc2ccccc2)S1	13478002	JIKHOSWQLCKXLL-QGZVFWFLSA-O	423.343	3.895	50	40	HHGB	
COc1ccc([C@H]2C(C(N)=C(C#N)C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC	15080284	KCWMSVFVVPVAMM-OAQYLSRUSA-N	424.460	3.812	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Br	59435810	AMGMMFSCLLXPDJ-UFWORHAWSA-N	415.074	3.845	50	40	HHGB	
CC1=NN(C2=N[C@@H]3CC[C@H](Br)[C@@H]3S2)C(=O)[C@H]1/N=N/c1ccccc1	101052879	VVEWGYNQQNSCFR-GATKMMFSSA-N	406.309	3.754	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1O	408782979	ZWPDFXKYZRFJAY-JYRVWZFOSA-N	416.275	3.775	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	409000154	DXDWVXBXLKVGHL-FSJBWODESA-N	421.328	3.864	50	40	HHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc([N+](=O)[O-])c1	1051477	PVJJKUUPFZZNOR-QGMBQPNBSA-N	412.627	3.540	50	40	HHGB	
N#CC(C#N)=C1C(=O)N(Cc2cccc(I)c2)c2ccccc21	1320734	MBJMUPTUOWZLSF-UHFFFAOYSA-N	411.202	3.639	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)o1	2631813	SFMGCASPQWRGSS-CIAFOILYSA-N	417.874	3.806	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(N(C)C)cc4)CSC3=C2C#N)cc1	6752523	NYBJJRXKNPWPNP-FQEVSTJZSA-N	420.538	3.981	50	40	HHGB	
COc1c(O)ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-]	13943655	QASGACOBUVIAEN-QRVIBDJDSA-N	421.409	3.505	50	40	HHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C\c3cccc(Cl)c3Cl)CC2)cc1	20101553	UUDDHKOTLFWDMG-CFRMEGHHSA-N	419.356	3.570	50	40	HHGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(F)cc1	408545325	XVSCBQZDRIVXMQ-BHGWPJFGSA-N	405.385	3.884	50	40	HHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(I)o1	408808753	FXZYTTIXVRGTJA-DHZHZOJOSA-N	408.195	3.747	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408855802	DXVNTOSJDNFMOV-NYYWCZLTSA-N	401.762	3.531	50	40	HHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c[nH]c2ccccc12	408968712	BOFDKKKSPNNNDW-WMPMWDHYSA-N	420.513	3.536	50	40	HHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(OCC)c2)cc1OC	409316290	PSGGDSRDQNYDLK-UUYOSTAYSA-N	404.850	3.782	50	40	HHGB	
O=C(CCCC[C@@H]1CCSS1)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2	575617338	SMJGSLGGBZYFOB-NWDGAFQWSA-N	408.515	3.733	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)C(C#N)=C(N)O1	931602	XVCGSYLETOJJRY-SFHVURJKSA-N	407.470	3.570	50	40	HHGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c21	1471817	OYZHIDFZNXDUJE-QFIPXVFZSA-N	413.477	3.626	50	40	HHGB	
CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c2ccccc21	5883371	PGLSVCHPARMBRZ-DEOSSOPVSA-N	411.465	3.596	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	9232165	JKKODRVXRAIJSU-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1	17118654	RIYJHUOZUBTFBP-RBUKOAKNSA-N	422.330	3.583	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	18116568	FLNCZXUIVBTDIU-DZIBZFBXSA-N	407.445	3.659	50	40	HHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1C	58912069	AQXUJRMMFSYQNH-JVWAILMASA-N	416.525	3.520	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CCc3ccccc3)c2C)c1	408590571	PRWIQZHTFQXJBK-PCLIKHOPSA-N	403.482	3.964	50	40	HHGB	
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408681064	DYSCSQPCWOKWTG-BOCQSXMYSA-N	405.075	3.503	50	40	HHGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)C(O)(c1ccccc1)c1ccccc1	1095191	ZCSPNDMQKSFJCO-OVVQPSECSA-N	417.484	3.812	50	40	HHGB	
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(F)c2)C2=C1C(=O)CCC2	1422424	FKAPRCAZKBUJOE-XMMPIXPASA-N	414.440	3.545	50	40	HHGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1	4550194	WMQFZOZPAMILDJ-CXUHLZMHSA-N	421.497	3.688	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	6651088	TVHYHNCIVGPSTB-PTFSYIGCSA-N	423.513	3.767	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OC	8228894	ZWBBCIUXZVLYGI-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1	30843642	HDONOWFKKWNCBQ-OCKHKDLRSA-N	406.236	3.503	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)OC(C)C	408605863	YZEMOHBJRIQPJN-WQRHYEAKSA-N	408.454	3.880	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408611312	QORATPLRTWDORS-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	2316627	HMQRGRWVJZLPMQ-SIWPHUPXSA-N	415.493	3.922	50	40	HHGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)Nc1cccc(C(F)(F)F)c1	2549793	HIBHMJYCZIUHBP-UHFFFAOYSA-N	409.393	3.527	50	40	HHGB	
O=C(N/N=C/c1ccc(/C=N/NC(=O)NC2CCCCC2)cc1)NC1CCCCC1	5445849	VBCDJYCDXBDVLS-DFEHQXHXSA-N	412.538	3.618	50	40	HHGB	
O=C(COc1ccccc1Cl)NNC(=O)CSc1ccc2ccccc2c1	6510501	JCYFTSYKCKJLKI-UHFFFAOYSA-N	400.887	3.812	50	40	HHGB	
CCc1ccc(/C(C)=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1	12413211	WNERKNHBIYIHPD-UDWIEESQSA-N	420.263	3.839	50	40	HHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1c(Cl)nc2ccccn12	58017081	WIGYWZHZQFRJHL-UHFFFAOYSA-N	421.284	3.570	50	40	HHGB	
C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)c1ccccc1	59960604	NUOAVKZJOWVMFY-VPBNWZFVSA-N	415.493	3.636	50	40	HHGB	
O=C(CCCCCCC(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	103798146	KURBORKWOOLPAH-NCNLXEPVSA-N	410.562	3.955	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)cc3)o2)c1	408725179	JRRHNZFVTLEJGU-BUVRLJJBSA-N	406.438	3.825	50	40	HHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccc(Br)c1)c1ccccc1	408977996	GOUBTJQOKZDMDP-VYVDHXHBSA-N	418.291	3.777	50	40	HHGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409048556	RXSWFLAXZKCZSX-HYNFFBHUSA-N	411.414	3.829	50	40	HHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccccc2Br)c1	409091922	VRSACWZNFVOMJP-CIAFOILYSA-N	412.243	3.702	50	40	HHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1	409134290	NZZVYMOGBRQQJJ-VQTJNVASSA-N	422.506	3.545	50	40	HHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409231349	CEFWAKVYKFPMLY-MSXFZWOLSA-N	424.388	3.623	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(C)=O	985601	NOMCJPJAMQPFQJ-IBGZPJMESA-N	416.437	3.537	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1cnc(Cl)s1	1398387	RYXRSILKRUOMNX-LSFURLLWSA-N	402.863	3.543	50	40	HHGB	
COc1ccc2ccccc2c1[C@@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	8441913	RFCPOCQOZAUBTC-URXFXBBRSA-N	423.520	3.982	50	40	HHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)CC2=O)cc1	33630153	GBJKGJLBVYLWPC-YWIKJMDGSA-N	406.269	3.505	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1cccc(Cl)c1Cl	58903896	MPNPQTXFYAOEQK-AUEPDCJTSA-N	409.317	3.623	50	40	HHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(Br)c2)c1	408756654	TURCMGPXCFANSU-RIYZIHGNSA-N	415.243	3.929	50	40	HHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(I)c2)cc1	408795303	LLTKAXQGKPIMSW-MDWZMJQESA-N	404.207	3.851	50	40	HHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2)cc1	408869520	SLKZTXSRPXLCBZ-VGOFMYFVSA-N	415.243	3.790	50	40	HHGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21	409382252	MFUMCZAGOSZHPY-LDADJPATSA-N	404.470	3.608	50	40	HHGB	
N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	4944748	STZFYZBOISLHMJ-QHCPKHFHSA-N	416.868	3.751	50	40	HHGB	
COc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1O	15934561	CMJWEGJSWKSYMW-WGOQTCKBSA-N	417.465	3.736	50	40	HHGB	
CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	1084911	ROYSFEHXLMBNLJ-YRUBURHZSA-N	412.265	3.727	50	40	HHGB	
C=C1C(=O)O[C@@H]2C[C@H](C)[C@H]3C[C@H](OCCCl)O[C@H](OCCCl)[C@]3(C)C[C@@H]12	5430574	NDKJHGDTMFXEHV-RDLVTHGRSA-N	407.334	3.720	50	40	HHGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)cc1	13811409	CYBSKIUZKKAIHS-LOKSUBMMSA-N	405.523	3.784	50	40	HHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC	409326112	GXNGXERHVIKNNY-QRVIBDJDSA-N	416.861	3.532	50	40	HHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21	2226032	CTIBXXFIRJXEAW-JOCHJYFZSA-N	413.477	3.822	50	40	HHGB	
O=C(/C=C/NNC(=O)c1cccc(Br)c1)c1cccc(Br)c1	3060693	YMTPEYGNWIKUPX-BQYQJAHWSA-N	424.092	3.843	50	40	HHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-]	13847736	YREJPIQAMLXNLZ-YDZHTSKRSA-N	407.426	3.984	50	40	HHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O	20207592	FFISUIBSHBTFJH-PTGBLXJZSA-N	415.559	3.621	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(OC)c1	20248758	PENFPHARUQQHAY-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1	59194674	XOUAXVWRALSVHZ-OEAKJJBVSA-N	412.442	3.666	50	40	HHGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(C(=O)O)cc1	408785808	ZOGSQHVQOWESIC-DJKKODMXSA-N	407.289	3.531	50	40	HHGB	
COc1cc(Cl)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	408850634	PXWSJUJXYPXQSQ-ATVHPVEESA-N	411.889	3.613	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3C)c2)c1	409262059	CHSNIJUJUQNCKO-MYYYXRDXSA-N	417.465	3.785	50	40	HHGB	
O=C(N/N=C/c1cccc(Br)c1)C(O)(c1ccccc1)c1ccccc1	1083246	FKLYLYICJAWNEH-HZHRSRAPSA-N	409.283	3.835	50	40	HHGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	2201300	QSOLFJXNEGSZHU-KRWDZBQOSA-N	410.430	3.953	50	40	HHGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(Br)c(C)c1	4405650	HFAKQNIIMBGXGL-HYARGMPZSA-N	418.291	3.657	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	17644460	JLJJCURYFWCAFB-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
N#C/C(=C/c1ccc2ncccc2c1)c1nnc(N2CCOCC2)n1-c1ccccc1	34863510	HELWVPUHVLKYKQ-SILNSSARSA-N	408.465	3.716	50	40	HHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@H]32)c2ccccc21	36046358	CCDUURLODCSMBE-JTJQLJSMSA-N	411.509	3.683	50	40	HHGB	
O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(N2CCCC2)cc1	38430834	JIVUQROJLMDTEQ-NHDPSOOVSA-N	416.275	3.542	50	40	HHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)c1	408598684	IJQOHLNTOLUJLM-YDZHTSKRSA-N	420.425	3.553	50	40	HHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1	408712077	YLISBLVLPCXAHS-XDHOZWIPSA-N	408.239	3.844	50	40	HHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2OC)c(OCC)c1	409019524	JOSIXKXHPYUUGI-ATVHPVEESA-N	424.453	3.581	50	40	HHGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC	409206611	YHRCNWAVUQCJCO-VCHYOVAHSA-N	408.454	3.826	50	40	HHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	409313115	BMPMPEFTNXLRBO-JKIFEVAISA-N	401.507	3.687	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)C(C#N)=C(N)O1	931600	QXFVBSZLJKMSHH-SFHVURJKSA-N	407.470	3.570	50	40	HHGB	
CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC(CCl)CCl)cc1	1085161	CNDIZXLFOQVLEW-IAGOWNOFSA-N	400.302	3.996	50	40	HHGB	
COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc2c1	14245198	RCBAXGUBGVRWMS-LSDHHAIUSA-N	410.445	3.706	50	40	HHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1cc2ccccc2cc1O	18093767	ALJPOWOHPSBYAK-MZJWZYIUSA-N	419.525	3.982	50	40	HHGB	
O=c1c(O)c(-c2ccc(N3CCOCC3)cc2)oc2ccc(CBr)cc12	103783692	LGZHMLRDESHWCH-UHFFFAOYSA-N	416.271	3.897	50	40	HHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2c(F)cccc2Cl)CC1	409006469	OATCQHVSMIKTKJ-ZMOGYAJESA-N	401.869	3.790	50	40	HHGB	
COc1cccc(/C=N\NC(=O)c2ccccc2)c1OCc1ccc([N+](=O)[O-])cc1	409077329	DQPXREJMZSYDTM-UCQKPKSFSA-N	405.410	3.946	50	40	HHGB	
C/C(CC(=O)Nc1cccnc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	4662999	WRCVCFSILYNPPD-LITAXMHPSA-N	409.273	3.677	50	40	HHGB	
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21	5269726	MOQNOHPWRGLAKG-VXPUYCOJSA-N	418.884	3.824	50	40	HHGB	
CC(/C=C1\SC(=S)N(CC(=O)NNc2ccccc2)C1=O)=C\c1ccccc1	5376114	SFSIMXMXCIBZRG-MNPLYOLFSA-N	409.536	3.977	50	40	HHGB	
CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21	8560462	QIGZJTYEISOQQP-VXPUYCOJSA-N	420.900	3.927	50	40	HHGB	
CCCCCn1nc(C(=O)NNC(=O)[C@@H](CC)c2ccccc2)c2ccccc2c1=O	22698560	NZXDITQFBQSTBD-SFHVURJKSA-N	420.513	3.542	50	40	HHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c1	59302600	LQUXDHOMRZMTQN-PTZPRWATSA-N	405.454	3.710	50	40	HHGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccco3)c3ccccc32)C1	103862823	ZEZDYPHDOCBMOF-WMRNZJHFSA-N	420.513	3.618	50	40	HHGB	
COc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1	408725848	LEMOWUJXRTVCGQ-OEAKJJBVSA-N	405.410	3.946	50	40	HHGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1	408787395	ZIGBZVJAOZFNDK-FMCGGJTJSA-N	410.405	3.671	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(C(=O)O)cc1	409192501	DKPAWQGTXKDYGT-UNOMPAQXSA-N	420.465	3.938	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccccc2)c1	409222188	CGGAOAYNMHWBHR-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccc(F)cc2)c1	705557	MCUGYFWBUDKJRK-YDZHTSKRSA-N	406.373	3.750	50	40	HHGB	
COc1ccc(C(O)(C(=O)N/N=C/C=C/c2ccccc2)c2ccc(OC)cc2)cc1	2270778	CXNXICOIHHFLTD-CKVAJVEFSA-N	416.477	3.755	50	40	HHGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(C(C)C)cc2)c(C)c(C#N)c1=O	30834281	CMGYHJCOVBHECR-WGARJPEWSA-N	413.481	3.608	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33780128	PDVQETVXFUYYEC-WYMPLXKRSA-N	422.510	3.892	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)n1	48354324	QJWQFMRJSVMZAM-UHFFFAOYSA-N	419.316	3.889	50	40	HHGB	
CC1(C)CC(NC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC(C)(C)N1	100834650	GAGYRXAMCCECTP-CJMONDIMSA-N	413.400	3.571	50	40	HHGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1	104681088	BSGVWARJNLDHJT-SSZFMOIBSA-N	424.913	3.765	50	40	HHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1	408726284	AWYTXEHIYGUBEG-SSDVNMTOSA-N	407.382	3.585	50	40	HHGB	
Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)n1	409116610	PVNMOBVSKXTMOI-MTJSOVHGSA-N	407.455	3.917	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409239988	IWAVGUMUUWTCHO-CFRMEGHHSA-N	424.432	3.843	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)c1	409344125	JIDFARYXGCLIBW-DHRITJCHSA-N	409.417	3.825	50	40	HHGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c1	850056	MSXJWRXYCOCVOS-OAQYLSRUSA-N	402.454	3.725	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	4798213	DYMJIRFATARBNL-AUEPDCJTSA-N	412.799	3.514	50	40	HHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1	19951621	IBQDQSNJSPCYKM-UHFFFAOYSA-N	419.934	3.972	50	40	HHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408611690	RQRAEJSUBULMEA-HJQVIKLGSA-N	422.312	3.937	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OC	408691758	PBAYKFGQEGHZMH-CHHVJCJISA-N	411.845	3.857	50	40	HHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	408792292	ALWJYJUULYUBOF-XNTDXEJSSA-N	414.845	3.836	50	40	HHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C	408989585	IPHMBRLFKSZGQM-UCQKPKSFSA-N	406.442	3.704	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409037100	SKPLUVXSOTVPMB-FOCLMDBBSA-N	414.461	3.997	50	40	HHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1F	989275	UZJZCQKOHXHSOJ-OAHLLOKOSA-N	413.202	3.913	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1O	1434597	RHGCBGWTVAZSHQ-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1cc(Br)ccc1F	4730461	CJABCVQXFICXRA-SECBINFHSA-N	403.133	3.548	50	40	HHGB	
C/C(=N/NC(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1)c1ccc(Cl)cc1	4888344	HXEDOUCAHXQLMV-HMAPJEAMSA-N	411.849	3.955	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Cl)c(Cl)c4)[C@H]3[C@H]1CC2	5386596	CRZZFQSJDRYLJT-FTNBBQJZSA-N	410.308	3.880	50	40	HHGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)sc(C)c1C	5996267	FTQNRIQHBAUTNZ-ZSOIEALJSA-N	400.456	3.802	50	40	HHGB	
CSc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	7621011	MBMDQLXPGKIMRS-OBGWFSINSA-N	403.511	3.890	50	40	HHGB	
N#Cc1cc2c([n+]3c1S[C@@H]1CCC[C@H](I)[C@H]13)C1CCN2CC1	9327676	FSHIZWXDNSZNAI-JGGQBBKZSA-N	424.331	3.546	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	36145097	IKAYNQAHKOMEGX-FSJBWODESA-N	406.398	3.863	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	408840078	XKUWPJOAXGNWAW-UHFFFAOYSA-N	407.857	3.976	50	40	HHGB	
CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	668369	CEPRUXDWTLHUBF-LANLRWRYSA-N	403.324	3.856	50	40	HHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC)c1	957977	JSSPWVXNCMRDFE-LFIBNONCSA-N	410.382	3.683	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(OC)c1	1429154	PICYLKUWBCCTDY-AFUMVMLFSA-N	421.428	3.859	50	40	HHGB	
CCc1ccc(C(=O)NNC(=O)CSc2c(C)nn(-c3ccccc3)c2C)cc1	8248460	TYPUTPBSYNGDLS-UHFFFAOYSA-N	408.527	3.605	50	40	HHGB	
COc1cccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)c1	13551334	STTQHZDCQVDFHP-OJLHXUGZSA-N	416.525	3.802	50	40	HHGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	32573630	YVKMMCLITUDUPI-SWNXQHNESA-N	408.201	3.503	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OC(C)C	59332908	MHAKSAWJRAPUQU-HKWRFOASSA-N	405.498	3.738	50	40	HHGB	
CC1(C)CC(NC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC(C)(C)N1	101303751	GAGYRXAMCCECTP-CWVNLOTRSA-N	413.400	3.571	50	40	HHGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(N(C)C)cc1	408741243	ORJJCYPJILNCDD-OEAKJJBVSA-N	405.458	3.832	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCC(=O)O	408820675	ZFYPASLTTBBNCL-BOPFTXTBSA-N	424.428	3.962	50	40	HHGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1	408972679	QPKDKCLHXANPER-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
CCc1ccccc1C(=O)N1CCC2(CC1)CO[C@@H](CI)C2	2056226453	RVATZNFAHOQDSI-OAHLLOKOSA-N	413.299	3.695	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)n1	1100981	ZNLIKOUVNCYMPU-FOKLQQMPSA-N	411.506	3.882	50	40	HHGB	
Cc1cc(C)cc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)c1	13567754	BTKHKQHZOFNYHB-SANMLTNESA-N	424.504	3.739	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)cc(Br)c1O	58854463	PKYYKJARLIAQDP-AWQFTUOYSA-N	423.332	3.855	50	40	HHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1O	408741778	KZKPYUIMUDRVQS-GHXNOFRVSA-N	420.206	3.551	50	40	HHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(OC)c1	408769467	VQDGIYOCBSWIBQ-FXBPSFAMSA-N	418.541	3.797	50	40	HHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2Br)cc1	409242056	PZMBJELHCHCGIZ-CIAFOILYSA-N	412.243	3.702	50	40	HHGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cs1	1426971	KRJCCTZGOZLVHM-LLVKDONJSA-N	411.302	3.885	50	40	HHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)/C=C/c3ccco3)cc2)cc1	2638764	IREGCAPLZOSTHI-BUHFOSPRSA-N	406.438	3.732	50	40	HHGB	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNC(=O)c1cccc(Cl)c1	2645780	MRPBUSQNRWQBSY-UHFFFAOYSA-N	417.296	3.930	50	40	HHGB	
Cc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)n1	4482497	VOOZAFXBVXQIFE-LPYMAVHISA-N	415.335	3.515	50	40	HHGB	
O=C(CCNC(=O)c1ccccc1Cl)NNc1ccnc2cc(Cl)ccc12	9322626	XFVSVSRJGHZSIQ-UHFFFAOYSA-N	403.269	3.805	50	40	HHGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	16524817	NDTJEPOVRRFKRJ-OGLMXYFKSA-N	424.504	3.911	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCN(Cc3ccccc3)C[C@@H]2[C@H]1c1cccc(F)c1	19853200	CXZRWBBHDOVNDP-GMAHTHKFSA-N	409.468	3.751	50	40	HHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccccc1	19947948	ZOAQCGBWXTWGSB-LYBHJNIJSA-N	421.522	3.731	50	40	HHGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2ccccc2OCC)sc(C(C)=O)c1C	32511863	VJOLUBNNOFXLMP-NHDPSOOVSA-N	417.487	3.990	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1C	59515628	BDBUDSYIWSDOOI-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C	408592062	XIRLYQNVVSVORR-UQQIOGDDSA-N	411.889	3.940	50	40	HHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)N2C(=N1)SC(C#N)=C2N	408602172	AXULVBGLPIYTEY-GOSISDBHSA-N	412.515	3.813	50	40	HHGB	
C=CCc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)cc(OCC)c1O	408847398	UWBPPTIGEPUPDE-MHRQSCOVSA-N	413.481	3.727	50	40	HHGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3C#N)cc2)C2=C1CCCC2=O	409140455	FHNJMPIYAYHRQN-QHCPKHFHSA-N	410.477	3.867	50	40	HHGB	
N#CC1=C(SCC(=O)Nc2ccc(F)c(Cl)c2)NC(=O)C[C@H]1c1ccco1	409148204	OYUYXDWIQUGRNZ-LLVKDONJSA-N	405.838	3.783	50	40	HHGB	
O=C(CCCl)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1	4218016	WNNCRHIEGRDQNM-UHFFFAOYSA-N	404.967	3.725	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1	5924068	VPJJNEDDVLLSNY-LJQANCHMSA-N	418.453	3.798	50	40	HHGB	
COc1ccc(C(=O)NCCCCCC(=O)N/N=C/[C@@H]2CC=C(C)CC2)cc1OC	6645932	PSCCBKQWOSWYMT-OAKZWBAKSA-N	415.534	3.842	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	9971628	GDYJZJRUBZLBCJ-NHDPSOOVSA-N	424.369	3.601	50	40	HHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	20247945	UYRDLJQPQJQHIR-FYJGNVAPSA-N	400.504	3.825	50	40	HHGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1	33386423	SCFOZOWVYLRXSS-QFEZKATASA-N	421.428	3.616	50	40	HHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1cc(Cl)ccc1Cl	58913886	NDDMQAYVSUCBFL-YVNNLAQVSA-N	409.317	3.766	50	40	HHGB	
O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)ccc1Cl	408598922	LEHOVBBVGQGJHG-UFFVCSGVSA-N	413.773	3.970	50	40	HHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])cc(OCC)c3O)cc2c1	409187604	SINVNQYZIZENGQ-NHDPSOOVSA-N	413.386	3.608	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC	8812611	BMWSXLUSDXKQNI-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4C)c32)cc1	36618855	UJJUYFIOHUZSAX-GOSISDBHSA-N	400.438	3.698	50	40	HHGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)c1	100879251	PDNFNPBSCGHJEP-FNFFVJSTSA-N	415.125	3.730	50	40	HHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	6651070	UJZJJSUEFFKCNE-RASHHNMQSA-N	407.514	3.986	50	40	HHGB	
COc1cccc(C2=C(C#N)[C@H](c3ccc(O)cc3)n3nc(C(F)(F)F)nc3N2)c1	10031262	MRTQCAINKOIGIZ-KRWDZBQOSA-N	413.359	3.961	50	40	HHGB	
Cc1c(C(=O)NNC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)oc2ccccc12	12545965	VGCSXIALASUGCL-UHFFFAOYSA-N	415.453	3.761	50	40	HHGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)cc1	19849512	YKGKLMUMWVYHLJ-JLPGSUDCSA-N	419.356	3.651	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c1	33621305	ZJFMHHDDEJUQTD-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccccc1Cl	408786212	HCOYIGQATOLZQZ-ZMOGYAJESA-N	423.856	3.827	50	40	HHGB	
CCCCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1	409158524	OUUSPSVAANMFNT-WYRWUVFZSA-N	407.514	3.931	50	40	HHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccccc1	409363428	LTVHIBZRYYQZBP-XYGWBWBKSA-N	402.450	3.730	50	40	HHGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1OCC	1254236	UIVTZSRAGURIEX-SFHVURJKSA-N	404.422	3.809	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c([N+](=O)[O-])c1	3091705	CDXOPSJONQQOJV-SKGUUVROSA-N	418.247	3.820	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](OC)c3ccccc3)o2)cc1	4502662	GKZJQMCBLNOYPW-SGSZHJQISA-N	406.438	3.961	50	40	HHGB	
CCn1c(NNC(=O)c2ccccc2SC(F)(F)F)nc2ccccc2c1=O	40080100	UTYDUBCNVPDSJA-UHFFFAOYSA-N	408.405	3.785	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)c2c(-n3cccc3)sc3c2CCSC3)s1	84205193	MBCQDXUZAHWWKJ-UHFFFAOYSA-N	403.554	3.773	50	40	HHGB	
COc1c(Br)cc(CBr)cc1I	169796337	ZKGAEELZJYMSEX-UHFFFAOYSA-N	405.855	3.957	50	40	HHGB	
Cc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)o1	408843990	OGOGNXZFTIRNKD-LSFURLLWSA-N	408.405	4.500	50	40	HHGB	
COC(=O)N/N=C/c1cc(Br)c(OC(=O)c2ccc(C)cc2)c(OC)c1	2292900	ULZVWHUCWSDPPO-KEBDBYFISA-N	421.247	3.675	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)cc1	2744476	LSIRGIYNNOCLDE-ZVHZXABRSA-N	406.438	3.961	50	40	HHGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cccc(C(F)(F)F)c1	6220491	UXVULVHJTONYNA-IFRROFPPSA-N	403.154	3.643	50	40	HHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OC	8829955	IOKZXRKRJUQFOB-UFFVCSGVSA-N	422.890	3.877	50	40	HHGB	
CCOc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N32)cc1	12275284	LEZIJSCNTUPHML-AVRDEDQJSA-N	410.470	3.868	50	40	HHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1C	89274545	ZCKNWEUOFNDEGF-YLQAJVPDSA-N	415.353	3.649	50	40	HHGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccn(CC(F)(F)F)n3)o2)cc1	252499314	RYRBYZOQENCDJW-AUEPDCJTSA-N	406.364	3.690	50	40	HHGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)cc(OC)c1OCC(=O)O	408858273	RIOJSMWVAKIEOL-FMCGGJTJSA-N	411.458	3.660	50	40	HHGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	2121971	LORMPXSRWRAGMV-WYMPLXKRSA-N	422.312	3.591	50	40	HHGB	
Cc1ccccc1/C=N/NC(=O)[C@H](C)Nc1ccc(I)cc1C	2744497	SZISSOMNOSPYLZ-HXJASHHUSA-N	421.282	3.859	50	40	HHGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4C(F)(F)F)[C@@H]3[C@H]1CC2	5634257	SYKMGGBOPDTRLO-BTINSWFASA-N	409.415	3.592	50	40	HHGB	
C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)C(=O)Nc1cc(C)ccc1C	5927589	HKCVECIKWFFIKJ-NLRVBDNBSA-N	408.502	3.688	50	40	HHGB	
Cc1ccc(-n2ncc3c(NNC(=O)CCc4ccccc4)ncnc32)cc1Cl	7443135	CKGDTGDAEWXFFD-UHFFFAOYSA-N	406.877	3.853	50	40	HHGB	
Cc1cc(C)cc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)c1	13567753	BTKHKQHZOFNYHB-AREMUKBSSA-N	424.504	3.739	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)ccc1O	408847713	UFOVQDCFEIEVCJ-DMXJYMIMSA-N	415.449	3.817	50	40	HHGB	
COc1cccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1	408959805	GDQAULVMRKJOOZ-MYYYXRDXSA-N	418.449	3.665	50	40	HHGB	
Cc1c(Br)cc(/C=N/NC(=O)c2ccccc2N)cc1Br	409049703	ZQFNRWKORLUTMU-UFWORHAWSA-N	411.097	3.866	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC(Cl)=C(Cl)Cl	2555820	UPBDVJVPKOFTCQ-UHFFFAOYSA-N	405.694	3.906	50	40	HHGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1	3335626	SHNQRJTVNPDPBP-UHFFFAOYSA-N	419.506	3.871	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	5680344	DFWFKAKTNATLCQ-WSDLNYQXSA-N	409.398	3.944	50	40	HHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CSc1nc2ccccc2o1	9507365	OCDOEEUUEGCSND-UHFFFAOYSA-N	424.507	3.813	50	40	HHGB	
CC1(C)[C@]2(C(=O)O)CC[C@@]1(C(Br)Br)[C@@H]2Br	2570454	KLQXPQPDNRXJMU-URUOUCFMSA-N	404.924	3.757	50	40	HHGB	
Cc1ccc(NC(=S)NC(=O)c2ccccc2C[C@@H](Br)C#N)cc1	11692723	SNWLXLUOHJLXBA-CQSZACIVSA-N	402.317	3.951	50	40	HHGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cccc2c1OCCO2	13389592	AZKFCNABYMDTRV-KEBDBYFISA-N	421.316	3.604	50	40	HHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c1	33634737	BMEGOHZOWPVPOQ-FSJBWODESA-N	405.410	3.676	50	40	HHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccc1	408738920	XATSADUZWRZJFK-LHXREVONSA-N	406.486	3.612	50	40	HHGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1	408786051	KLPPMZFJETXNJO-LCYFTJDESA-N	406.223	3.983	50	40	HHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(NC(=O)c2ccccc2)c1C	409216951	QAMYAYXRWWAVKD-ZVHZXABRSA-N	404.470	3.570	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl	4703112	VZUOYCAQXQYCRZ-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(Oc2ccccc2)c1	6053882	JEYCFSWIEWEBHA-UHFFFAOYSA-N	406.438	3.718	50	40	HHGB	
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)cc1	12436432	BAXXSXQIQBKALB-RAWOYRKCSA-N	420.296	3.672	50	40	HHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCCn1ccnc1	26770719	MICKTAIVMILJKM-LTGZKZEYSA-N	422.492	3.849	50	40	HHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)o1	408728974	WSYSYVPIPREOGW-OMCISZLKSA-N	402.042	3.583	50	40	HHGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	409000600	ZDJRXRYZALIZQH-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	409222911	FDUIDYHRMCQHRT-MFKUBSTISA-N	414.421	3.738	50	40	HHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1I	711263	IHFRGKPVVDKUDD-HNNXBMFYSA-N	420.250	3.742	50	40	HHGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NNC(=O)c1ccc(Br)cc1	879628	FNDCVEXEZASGFE-JQWIXIFHSA-N	406.107	3.801	50	40	HHGB	
O=C(CF)N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1	3200614	MYDJCXSRDKOHGG-HNNXBMFYSA-N	408.624	3.783	50	40	HHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	15226348	LMNGPPWTUFHYEX-PDGQHHTCSA-N	406.442	3.594	50	40	HHGB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	103503741	YPFZSDWPWYCDNR-SZMVWBNQSA-N	400.482	3.884	50	40	HHGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N	408603308	FRSWXJVJNBKZPX-GOSISDBHSA-N	405.458	3.849	50	40	HHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408607079	BOZYZKSHYBNWQI-HKNSOBRKSA-N	422.312	3.937	50	40	HHGB	
O=C(N/N=C/c1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	409156565	GJQOBAVIRDETTQ-WVISFHDSSA-N	420.694	3.606	50	40	HHGB	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)CCC(=O)O)CC[C@H]12	1888997697	JQDSGLIUUVQLER-XIRXMCHNSA-N	402.535	3.647	50	40	HHGB	
O=C(CCc1ccccc1)NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1	842932	JZRIETCEGKDUCH-UHFFFAOYSA-N	408.550	3.533	50	40	HHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1	5883876	LJPAVWRJILMKMR-IBGZPJMESA-N	418.453	3.798	50	40	HHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCCc3ccccc32)c1	6433276	BEBDDWHZAMUZMJ-LNVKXUELSA-N	413.543	3.578	50	40	HHGB	
COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)c(OC)c1	20248524	PJLQMUUYZUDJKC-KEBDBYFISA-N	423.332	3.850	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(F)c1	408968357	VXEFKEIEORPHIQ-DHRITJCHSA-N	418.384	3.948	50	40	HHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1F	408969923	XADCKMMDYUPJGS-WYMPLXKRSA-N	412.852	3.975	50	40	HHGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1	409220236	ZUYCPCZYTLPTRK-UHFFFAOYSA-N	423.856	3.676	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1	409236249	FPTRYQZFFKQMBZ-MLPAPPSSSA-N	420.252	3.683	50	40	HHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1	409315673	ODXOBTXALBATGS-MPGHIAIKSA-N	413.543	3.557	50	40	HHGB	
Cc1sc2ncnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)c2c1C	888567	CFHNNUAFODUZKP-UHFFFAOYSA-N	406.920	3.515	50	40	HHGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3)c(=O)c2c1-c1ccccc1	958214	NNJJPUAIXBHXCJ-WYMPLXKRSA-N	402.479	3.584	50	40	HHGB	
COc1ccc(Cl)cc1NC(=S)NNC(=O)Cc1c(F)cccc1Cl	6490723	RXHUPIQEBBRLCF-UHFFFAOYSA-N	402.278	3.701	50	40	HHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2	7164518	HANBHWVETSPWFA-WUXMJOGZSA-N	401.216	3.732	50	40	HHGB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(N=C=S)ccc1OC(F)F	19537184	DCUAKIOEASVOCK-UHFFFAOYSA-N	424.425	3.603	50	40	HHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1Nc1ccccc1C	408706717	CPKNLSZADLXPRD-WGOQTCKBSA-N	416.481	3.514	50	40	HHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	408744653	MKBGRFGNYSDAIM-NVNXTCNLSA-N	414.845	3.755	50	40	HHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c1	408820536	YIWLLOVYMRXPOG-UVTDQMKNSA-N	416.275	3.733	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OC(C)C)cc1OC(C)C	409261886	FBIUQWWDFXXQRP-WSDLNYQXSA-N	415.446	3.942	50	40	HHGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c2O1	2385471	FVGDHNDIAGLHGB-UHFFFAOYSA-N	424.284	3.939	50	40	HHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1	4904598	BVHHGAFZIYJEKE-UHFFFAOYSA-N	415.559	3.950	50	40	HHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccncc1	9634026	PETSCBNVTLMRDT-KEBDBYFISA-N	415.203	3.776	50	40	HHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	58900714	GVCUWNQTUNZORV-YDZHTSKRSA-N	406.373	3.750	50	40	HHGB	
C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408968198	URHVMHAUXGLPJE-CVKSISIWSA-N	405.429	3.600	50	40	HHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(C(=O)c2ccccc2)CC1	409004561	DOGWTGQNGQQTAO-PCLIKHOPSA-N	401.466	3.548	50	40	HHGB	
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)NC1CCCC1	883679	ACJPRLKUGLMCQZ-SFQUDFHCSA-N	416.481	3.516	50	40	HHGB	
COc1ccc(CC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1OC	989833	HTSSHGIUFWTNLG-YDZHTSKRSA-N	412.877	3.544	50	40	HHGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)cc1	1437737	BRLZNPPGZFAQFS-GIJQJNRQSA-N	408.277	3.741	50	40	HHGB	
O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1csc2c1CCCC2	1511290	OSHMGKNKIQMITK-UHFFFAOYSA-N	421.522	3.716	50	40	HHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	8398982	ZCXFKFUQWWFFSO-UHFFFAOYSA-N	424.284	3.572	50	40	HHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC	38658457	UKLFTFFNIJGVOI-OAQYLSRUSA-N	418.405	3.734	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc(F)c1	137076706	SKRXDGVOJGVUQW-CYEGBWLXSA-N	410.445	3.615	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408740529	GTDAGCQIFFNAOI-YBFXNURJSA-N	404.220	3.686	50	40	HHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)OC	408794762	JDOMXTNJHFRMRO-XNTDXEJSSA-N	414.845	3.836	50	40	HHGB	
CCOC(=O)/C(C#N)=C(\C=C\c1ccc(C(=O)O)cc1)c1ccc(OC)c(OC)c1	585145767	OQYUMLALNKXVPK-RDCSPIMESA-N	407.422	3.956	50	40	HHGB	
COc1ccc2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c(Cl)nc2c1	636455	JCZQWHHTOYTWAV-ZVBGSRNCSA-N	415.906	3.546	50	40	HHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1Cl	2269488	PATJOBQLXKQHST-DHRITJCHSA-N	409.873	3.772	50	40	HHGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)cc1	5219823	PLKKDGKNPQZAQR-UHFFFAOYSA-N	410.499	3.587	50	40	HHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCc3ccccc3)cc2)n1	6329810	WSUHBIQMHLAMBO-UHFFFAOYSA-N	420.538	3.780	50	40	HHGB	
CCN1C(=O)/C(=C(\C#N)C(=O)NC2CCCCC2)c2cc(Br)ccc21	409143787	HXNAGLIXOIYONC-BMRADRMJSA-N	402.292	3.542	50	40	HHGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)c(C)c1	969282	SUCRVEWGWOONEG-RSFOSLOZSA-N	414.303	3.569	50	40	HHGB	
N#CC1=C(N)Oc2oc3cc(F)ccc3c(=O)c2[C@H]1c1cccc(Br)c1	1073639	VZWCBBXCKHHSOE-HNNXBMFYSA-N	413.202	3.913	50	40	HHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c1	1472118	RGILNCPBKVVYGM-QFIPXVFZSA-N	413.477	3.626	50	40	HHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1	6209972	FBVSYQMMNKLCSL-MDWZMJQESA-N	401.216	3.702	50	40	HHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1	12250366	YVEQFOLOYNCULA-QGZVFWFLSA-N	422.466	3.614	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NC[C@@H]1CCCO1	408734069	CUAOVAZAJZIZLN-NRUITVPNSA-N	401.806	3.710	50	40	HHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)=O	408746566	FGUDIKXGYXYVRJ-ZROIWOOFSA-N	415.243	3.929	50	40	HHGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(I)c1	408891140	METZISNFISYSEQ-XYOKQWHBSA-N	419.178	3.745	50	40	HHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	408936964	IYBBRGDJYUGOFT-MFKUBSTISA-N	418.497	3.890	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(C(C)(C)C)n[nH]3)o2)cc1	4113037	RVWTVIZRYDHJJP-YDZHTSKRSA-N	408.458	3.908	50	40	HHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccccc1C	5095061	OKPMMNZHPQSWKC-OAQYLSRUSA-N	402.454	3.832	50	40	HHGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(Cc4cccnc4)CSC3=C2C#N)cc1	20348047	YDKWVXIRCPNXFW-IBGZPJMESA-N	406.511	3.695	50	40	HHGB	
C[C@H](Oc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1)c1ccccc1	40144415	PNRIDQOJLAKWBR-INIZCTEOSA-N	414.465	3.707	50	40	HHGB	
Cc1cc(C)nc(NNC(=O)c2ccc(COc3cccc(Br)c3)o2)n1	40145243	DCIPLDQMBZHXGH-UHFFFAOYSA-N	417.263	3.785	50	40	HHGB	
C=CCc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(OC)c1OCC(=O)O	59250330	UDDWXBAANZGDIC-AFUMVMLFSA-N	418.449	3.804	50	40	HHGB	
COc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	226326907	LQEWZQQRGNAXKH-UHFFFAOYSA-N	420.090	3.947	50	40	HHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	408946635	ZDSUNRQRBLDJDV-DHRITJCHSA-N	422.460	3.639	50	40	HHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	7385588	DDHWBXPCLLRFOC-FYJGNVAPSA-N	402.292	3.822	50	40	HHGB	
CCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O	8398453	PVVFDVQJNFOBER-UHFFFAOYSA-N	401.507	3.629	50	40	HHGB	
C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(C)cc1	28218205	SWBSWOUUBUGJRH-OVVQPSECSA-N	410.477	3.907	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccccc1F	33410123	IBFRRKBFQMQAEJ-AUWJEWJLSA-N	419.250	3.958	50	40	HHGB	
CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519242	UZRYKMHGVOTQDA-HOTGVXAUSA-N	416.280	3.583	50	40	HHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Cl)c1O	408534099	UUZIDLFEFOWFFC-LIMNOBDPSA-N	401.772	3.635	50	40	HHGB	
O=C(COc1ccc(Br)cc1)N/N=C\c1ccc(N2CCCC2)cc1	408851433	JZMJEKHCAMNKGR-BKUYFWCQSA-N	402.292	3.578	50	40	HHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	408894383	HYVSEYLUDUCQCO-XYOKQWHBSA-N	402.204	3.912	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1	409205845	GHBUOOUSZBIZEH-QVGKIPNLSA-N	414.465	3.638	50	40	HHGB	
O=C(COc1ccccc1-c1cnoc1)N/N=C/C1=C(Cl)c2ccccc2OC1	688110	NXBCSNNOFPGNQA-NUGSKGIGSA-N	409.829	3.865	50	40	HHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	831121	HEBNUOIJBPJNTR-IDTCLIEOSA-N	421.316	3.950	50	40	HHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	935200	NWPCTIUGNOOABZ-IMGOXIFKSA-N	415.877	3.651	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br	6614649	YCABZLJUBRNIKI-CIAFOILYSA-N	416.275	3.736	50	40	HHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccccc3C#N)c2)c1	8811119	IMJLFLPLZLGNBL-CVKSISIWSA-N	415.449	3.918	50	40	HHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCCSc1nc2ccccc2[nH]1	12533069	FSYUWIDXJUACHJ-UHFFFAOYSA-N	418.906	3.558	50	40	HHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	59515261	BIBZODJFWRFLRN-BUVRLJJBSA-N	401.422	3.628	50	40	HHGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1OC	408581936	JTYCFOBYVJTHLR-VGOFMYFVSA-N	418.243	3.994	50	40	HHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3C2)cc1	3088564	WABMPYOOMNKJTA-ZMOGYAJESA-N	416.437	3.888	50	40	HHGB	
Cc1cc(C(=O)CCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C)s1	5768658	PNFRIBGGXQZZHV-UHFFFAOYSA-N	409.467	3.713	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	6931935	KCWPWFYLLFSIGP-XQNSMLJCSA-N	413.543	3.533	50	40	HHGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1	15240007	UCSPXGYEJIXIMT-HXUWFJFHSA-N	423.494	3.829	50	40	HHGB	
CCCOc1ccc(C(=O)NNC(=O)c2nc(-c3ccco3)sc2C)cc1OC	29439921	OMXXNXBPAMMLNQ-UHFFFAOYSA-N	415.471	3.584	50	40	HHGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409261662	COULFLFCHTTZMU-OKYTWDAHSA-N	409.795	3.862	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)cc3)n[nH]2)cc1OC	1770271	XDVQMCJPPUNLDN-YDZHTSKRSA-N	408.458	3.645	50	40	HHGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(-c2ccccc2)cc1	19851580	ILXZBLHYJFCKNJ-YZSQISJMSA-N	416.525	3.543	50	40	HHGB	
ClCCN(CC#CCCCC#CCN(CCCl)CCCl)CCCl	73404813	BGXBUYYOFKAAGH-UHFFFAOYSA-N	400.221	3.723	50	40	HHGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1c1cccc(Cl)c1	102065932	UBDNOFUWNUJFRJ-USZNOCQGSA-N	421.516	3.766	50	40	HHGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	216900993	WTWKVBACLSGEPW-NSHDSACASA-N	406.269	3.968	50	40	HHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408799660	HGROHFZUFYSZGW-OPWUTIMJSA-N	402.086	3.739	50	40	HHGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408870342	UMZFVSINPNLRFG-KSEXSDGBSA-N	407.301	3.543	50	40	HHGB	
COc1c(Br)cc(Cl)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409140329	RJDHMZZVBLQIGG-HNNXBMFYSA-N	422.710	3.841	50	40	HHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc(C)cc3)o2)c1	409158338	RBBAOOQZIHUJOJ-ZVHZXABRSA-N	406.438	3.961	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCN(Cc3ccccc3)C[C@@H]2[C@@H]1c1cccc(F)c1	664258	CXZRWBBHDOVNDP-JTHBVZDNSA-N	409.468	3.751	50	40	HHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc([N+](=O)[O-])cc4)CC(=O)N3C2)cc1	12250910	RERYLQITPLJTCB-GOSISDBHSA-N	422.466	3.823	50	40	HHGB	
CN1/C(=C(/C#N)C(=O)COC(=O)c2ccc3ccccc3n2)Sc2ccccc21	13137601	XGKYRMXRBUGBND-RCCKNPSSSA-N	401.447	3.938	50	40	HHGB	
CC/C(C)=N/NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1	19926577	FNQZFAVVGYICHJ-KGENOOAVSA-N	407.923	3.822	50	40	HHGB	
Cc1ccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1	31783292	GNZBZNOVNVYTBI-NKFHJHGISA-N	408.527	3.603	50	40	HHGB	
CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(F)cc1Cl	216837239	YADGGINOVQCFKG-UHFFFAOYSA-N	417.662	3.823	50	40	HHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408767953	ARQNSKUAOIHBOP-WSDLNYQXSA-N	421.950	3.688	50	40	HHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccccn34)c2C)cc1	408777836	JXUBNPAHPVFMME-ZVHZXABRSA-N	401.470	3.823	50	40	HHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(Br)c2)cc1	409250673	ROXFSHCKEIAAMH-CIAFOILYSA-N	412.243	3.702	50	40	HHGB	
C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1	409315111	NHLGNQYWCDXSLO-UCQKPKSFSA-N	400.862	3.913	50	40	HHGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1Cl	3112431	IKAFGBYAAHNIFH-RGVLZGJSSA-N	408.683	3.972	50	40	HHGB	
O=C(CCSc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2	5205738	PHWPSBYXFSGRDI-VXLYETTFSA-N	407.289	3.810	50	40	HHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2CN(CCc3ccccc3)CC=C12	33692284	HSNXXDMYLKCHJV-IFMALSPDSA-N	411.534	3.716	50	40	HHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c(F)c1	408968195	URGUUGCJXAYJHA-DHRITJCHSA-N	418.384	3.948	50	40	HHGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	408998458	QNKKOGKUHAFHJN-ZMOGYAJESA-N	401.422	3.740	50	40	HHGB	
COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(O)c([N+](=O)[O-])c1	409391614	KCHLAOKMXKMFLC-OEAKJJBVSA-N	405.410	3.591	50	40	HHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(C)C	808833	BGROTQWXDNVBQD-IBGZPJMESA-N	404.422	3.807	50	40	HHGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	2118091	SJXNBUDCKSYRTI-IBGZPJMESA-N	404.422	3.809	50	40	HHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3OC)o2)cc1	6297888	LYIPVXVMDCSNIB-AFUMVMLFSA-N	421.453	3.694	50	40	HHGB	
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	8474802	UQSQLEDRQPHCSK-DLFAJOPRSA-N	405.075	3.503	50	40	HHGB	
COc1ccc2cc([C@H](C)C(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)ccc2c1	14245200	RCBAXGUBGVRWMS-GJZGRUSLSA-N	410.445	3.706	50	40	HHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	58913417	WMSVNBUGCGMPEW-AFUMVMLFSA-N	418.497	3.808	50	40	HHGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1	59516011	RHHOHWQWTVTCBE-MFKUBSTISA-N	401.466	3.971	50	40	HHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408744078	WFULUMJMXIOMTG-DHDCSXOGSA-N	414.845	3.836	50	40	HHGB	
Cc1c(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-]	408779709	IOEHHJGETNYJKF-OEAKJJBVSA-N	403.394	3.886	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1	408964708	DEGKMEJAKADSGS-LGJNPRDNSA-N	418.428	3.655	50	40	HHGB	
CO[C@H](C(=O)N/N=C(\C)c1cccc(I)c1)c1ccccc1	4714678	LJZJSNMZQAFTCK-QUYZQLMHSA-N	408.239	3.519	50	40	HHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OC	6735613	NAMOLPNBTFLHIV-GHXNOFRVSA-N	403.232	3.718	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)COc2cc(C)cc(C)c2)cc(Br)c1O	30895845	DWJIMDQKEOAQQO-FBHDLOMBSA-N	421.291	3.699	50	40	HHGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1Oc1nc(Cl)ncc1F	33738465	JXHKDFLZSKJKCM-AQHIEDMUSA-N	416.796	3.540	50	40	HHGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc([N+](=O)[O-])c1	59297493	NVXDOKGSCRXCLX-NYYWCZLTSA-N	416.187	3.632	50	40	HHGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	59387090	NQNFKKLORDDFMM-IMRMQAIZSA-N	420.694	3.606	50	40	HHGB	
CC/C(=N\NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1	59473796	BSZPZDPSMUOSQY-RELWKKBWSA-N	402.516	3.876	50	40	HHGB	
CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59515875	CZUCTXMMMPFQPN-FCDQGJHFSA-N	415.559	3.868	50	40	HHGB	
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1	408974275	YEAUHSZCGUYYRP-UFFVCSGVSA-N	400.778	3.676	50	40	HHGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NC[C@@H]1CCCO1	849970	UFCQWXLYVAUWLF-SHRNQRGKSA-N	401.260	3.911	50	40	HHGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	1310551	QNZMWRULKIFAAU-XOBRGWDASA-N	405.385	3.942	50	40	HHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O	2406285	JZEIQMSNQCSELG-QGOAFFKASA-N	414.465	3.621	50	40	HHGB	
Cc1cc(C(C)C)ccc1OCC(=O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	3192643	AGUUDTXATPFSFQ-ZVBGSRNCSA-N	405.838	3.915	50	40	HHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)c(C)c1	4576267	VBRAPFSVQMBWBI-BRJLIKDPSA-N	405.385	3.816	50	40	HHGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1	6211063	RNNXVLHEQFATKS-AFUMVMLFSA-N	412.449	3.574	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)o1	6501860	AUFZMDKGDZEGEP-FSJBWODESA-N	408.410	3.638	50	40	HHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	46084971	SINOQGFNYCOPRK-RWEWTDSWSA-N	411.461	3.932	50	40	HHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	59101616	NDJFSYOQNXTVPG-AFUMVMLFSA-N	405.429	3.802	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3OC)c2C)cc1	408741383	INHPZXDCQWCFJL-ZVHZXABRSA-N	405.454	3.653	50	40	HHGB	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408788120	BELMXERMWLJKGL-LANLRWRYSA-N	405.498	3.622	50	40	HHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408955600	XVBYPRXFGIGDKD-LPYMAVHISA-N	404.382	3.904	50	40	HHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccc2)CC1	409007473	WOXFAFFZMTUUTL-YDZHTSKRSA-N	404.297	3.996	50	40	HHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)ccc1Cl	409380644	OXIMMZKCXIJAKU-WYMPLXKRSA-N	417.893	3.759	50	40	HHGB	
CC1(C)[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C=C(Cl)Cl	707506	GIQCNBWFUYNEGC-JOYOIKCWSA-N	406.653	3.600	50	40	HHGB	
COc1ccc(C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)cc1	4679908	FDRVHSUGPRRGBL-KGENOOAVSA-N	405.292	3.880	50	40	HHGB	
CCc1cc(SC#N)cc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1	6510825	FKZHVKAEWYTFGH-UHFFFAOYSA-N	419.528	3.898	50	40	HHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59459554	LYFTXGBKSHGOOO-DNTJNYDQSA-N	400.649	3.744	50	40	HHGB	
CCO[Si](CCCNC(=O)Oc1ccc2c(C)cc(=O)oc2c1)(OCC)OCC	255189704	RLWYADMMONCFSN-UHFFFAOYSA-N	423.538	3.628	50	40	HHGB	
O=C(CSc1nc2ccccc2s1)NNC(=S)NCCCc1ccccc1	408585888	KLYOPPFTWNNJPZ-UHFFFAOYSA-N	416.597	3.517	50	40	HHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)cc2OC)cc1	408711949	RZUIVXGMKSTKNN-MTJSOVHGSA-N	421.291	3.558	50	40	HHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)cc2)cc1	408737028	HBPAOZSXILXEEW-PCLIKHOPSA-N	402.450	3.916	50	40	HHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccco1	409225107	OYAYMYARRFLNIR-NHDPSOOVSA-N	413.773	3.824	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCN(Cc2ccccc2)CC1	409339177	FLJFRZMVEJJEDY-UHFFFAOYSA-N	412.493	3.568	50	40	HHGB	
Cc1nn(C)c(C)c1/C=C1\CCCC2=C1OC(N)=C(C#N)[C@H]2c1c(C)nn(C)c1C	2785259	SYCGEADZVNPODZ-DCINASHKSA-N	404.518	3.717	50	40	HHGB	
CN1[C@H]2CC[C@H]1C1=C(C2)C(C#N)=C(N)C(C#N)(C#N)[C@@H]1c1ccccc1C(F)(F)F	103401550	FYLCOKQTCUVFEC-OYYNGEPBSA-N	409.415	3.736	50	40	HHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cccs1	408604489	JWDDFRDOTQQAPN-KRWDZBQOSA-N	408.508	3.833	50	40	HHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O	409188619	IBCYEBHBIXRAQZ-ZVBGSRNCSA-N	411.241	3.619	50	40	HHGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccccc1Nc1ccccc1C	5590117	WCQZBGHOORVBDB-UHFFFAOYSA-N	405.454	3.587	50	40	HHGB	
N#C/C(=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(N)=O	44790558	XZTCVWCDCZCRCX-YBEGLDIGSA-N	407.271	3.753	50	40	HHGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@]31C(=O)Nc2ccccc21	104766212	BROGNJARQIJXMD-DEOSSOPVSA-N	413.433	3.549	50	40	HHGB	
CN(C)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408568779	KWYPIQHNCUXNNM-FYJGNVAPSA-N	401.557	3.760	50	40	HHGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)OCO2	409341565	DNPPNFGCFWPNAI-FSJBWODESA-N	419.393	3.666	50	40	HHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(CC)cc1	2080900	UDBZNQGBNCBEPQ-LPYMAVHISA-N	415.287	3.553	50	40	HHGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccc(F)cc2)c2ccccc12	5007426	QZEMSRNCUALJRB-SAPNQHFASA-N	407.445	3.529	50	40	HHGB	
Cc1nn(CC(C)C)c2sc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc12	12994506	GEVHNMADMTYKKI-UHFFFAOYSA-N	402.545	3.687	50	40	HHGB	
Cc1ccc(OCC(=O)N/N=C2/C(O)=Nc3c(Br)cc(F)cc32)cc1C	57617906	FBZWNMCCJBEEFY-UHFFFAOYSA-N	420.238	3.706	50	40	HHGB	
COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C	100868197	QDUQFNCLLSVNFQ-UPRAQXHNSA-N	408.292	3.571	50	40	HHGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	408710686	FDYYLNRWBZVTSJ-RGVLZGJSSA-N	407.264	3.629	50	40	HHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1	408809624	OMHJNZSHASHJBE-QANDDYDISA-N	408.454	3.825	50	40	HHGB	
CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)nc1C	1770756	UNQQGPDJGSCKJR-NTEUORMPSA-N	415.471	3.581	50	40	HHGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4721522	SUQRFOWTTHDEEJ-PIVQXDEPSA-N	407.857	3.580	50	40	HHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1O	58900641	KERGIPDADRKTST-ZVHZXABRSA-N	403.438	3.725	50	40	HHGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC	409196245	XZWZGQVCQPOBSA-GDNBJRDFSA-N	417.303	3.826	50	40	HHGB	
COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(O)c1	409393651	YREXTFGWCJCXQX-ZMOGYAJESA-N	416.437	3.919	50	40	HHGB	
O=C(CSc1nc2ccccc2cc1Cc1ccccc1)NNC(=O)c1ccco1	1339879	ZVEXBUQTMACQKO-UHFFFAOYSA-N	417.490	3.972	50	40	HHGB	
N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	1882634	REHOSUHBJGNGHR-XYOKQWHBSA-N	407.407	3.919	50	40	HHGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	2798584	OOLNZVNIVYBHNS-QFIPXVFZSA-N	414.465	3.972	50	40	HHGB	
COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4ccccc4C3)c2)c(OC)c1	408733766	QCCWDERXHOUYTK-AFUMVMLFSA-N	401.466	3.988	50	40	HHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	408799137	XYAKCMWHEVSKQP-OVCLIPMQSA-N	414.845	3.920	50	40	HHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	409109505	GJYJWWIFIRXLQO-WQGFDPGOSA-N	413.543	3.529	50	40	HHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1OC(=O)C1CC1	938883	SOKUVPDMOSEWSX-ZMOGYAJESA-N	410.470	3.663	50	40	HHGB	
O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1cccc([N+](=O)[O-])c1	1052543	ACDSAAOVPUNSPB-UFWORHAWSA-N	411.643	3.573	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3F)c2C)cc1	3186363	ZEHHHZJLSKVKOL-LGJNPRDNSA-N	422.460	3.582	50	40	HHGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	12852507	XKIMNXFJNMAFDZ-BUHFOSPRSA-N	423.476	3.717	50	40	HHGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1O	20247886	MBLHEBMTXOKUSP-DJKKODMXSA-N	409.305	3.547	50	40	HHGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	110457631	MAJXPNHHZQIPKG-LSHDLFTRSA-N	408.801	3.512	50	40	HHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCc1ccccc1	408814910	SPJDYWYWUYEOSO-RCCKNPSSSA-N	411.461	3.927	50	40	HHGB	
COc1cccc(OCCn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)c1	2302335	LPCBGGNPTPHPAU-WGOQTCKBSA-N	414.465	3.888	50	40	HHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1Br	6897382	DMGUDLACZVIUME-MDWZMJQESA-N	401.216	3.702	50	40	HHGB	
COc1cccc(CC(=O)N/N=C\c2cc(Br)c(Br)o2)c1	8861771	PCLGTEQMYDDEJV-IUXPMGMMSA-N	416.069	3.506	50	40	HHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1O	216043577	NWFXYLXQFSLYBW-NHDPSOOVSA-N	405.292	3.863	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)ccc2OC)c(C#N)c1C	408547417	WOMGUBQWPZPWHY-OVCLIPMQSA-N	424.478	3.841	50	40	HHGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccc(C(=O)O)cc1	409183371	BHZGGPUIVHBQDL-ZVHZXABRSA-N	404.422	3.736	50	40	HHGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1	3067362	UUMBEMXBFRGEMW-CIAFOILYSA-N	419.275	3.552	50	40	HHGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c1C	4672488	BSVPAAHAUYHTQZ-DNTJNYDQSA-N	411.683	3.954	50	40	HHGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc3c2CCCC3)cc1	4690859	DPCJYHHGIXXGPU-JVWAILMASA-N	420.513	3.587	50	40	HHGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)[C@@H]1COc2ccccc2O1	7166105	ZBUNRJVNYAQLPB-LKKXKRCMSA-N	414.874	3.830	50	40	HHGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	13985814	ZJGKKJSTNFAVHL-UHFFFAOYSA-N	406.573	3.938	50	40	HHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)cc(Br)c1OCc1ccccc1	33466750	BFQQRPVPYHWPQG-NVNXTCNLSA-N	401.260	3.819	50	40	HHGB	
O=C(Cc1cn2ccsc2n1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	33499169	ZBRCWVNQOXWRIW-JHMOUWFPSA-N	402.479	3.983	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)n1	59831484	UPUYALZWGRHGKL-LSHDLFTRSA-N	424.482	3.602	50	40	HHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)c(C#N)c1C	408545988	BLYBSFJKPNRGNB-OVCLIPMQSA-N	422.462	3.595	50	40	HHGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728425	MBJFDXZJAYYYDU-GATIEOLUSA-N	403.413	3.839	50	40	HHGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1	675203	NNENLPRYIBDCHY-UHFFFAOYSA-N	423.513	3.608	50	40	HHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C	1053841	NFJMBIGHZOMPFE-LGJNPRDNSA-N	418.428	3.655	50	40	HHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	4679070	NUPKGUYINAULMW-PCLIKHOPSA-N	401.466	3.917	50	40	HHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	4694863	HVALYJVSVGXIGM-UHFFFAOYSA-N	413.543	3.704	50	40	HHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1	5205776	YERNJWSSSDDDEF-HKOYGPOVSA-N	421.522	3.974	50	40	HHGB	
O=C(Cc1ccccc1)NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2	5409266	XCFPJVSPQPUTMI-UHFFFAOYSA-N	414.509	3.881	50	40	HHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1	5942911	MZWIVQYDBXYLCE-OEAKJJBVSA-N	402.410	3.919	50	40	HHGB	
CCc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	8108232	KMUWPMUQRSGQFX-DLBZAZTESA-N	406.482	3.784	50	40	HHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)n1	13898841	UPUYALZWGRHGKL-YVNNLAQVSA-N	424.482	3.602	50	40	HHGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(CC(=O)OC)c3ccccc23)cc1	20198126	KEEJVJBLLZGBQV-ZVHZXABRSA-N	407.470	3.675	50	40	HHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1	58883454	NRBMYKMKWDOKHR-CIAFOILYSA-N	402.292	3.835	50	40	HHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408613251	YKVPQOPMCSIMQP-BHGWPJFGSA-N	422.312	3.795	50	40	HHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1	408745464	SOOGTNVLEJDHOD-ZSOIEALJSA-N	415.243	3.767	50	40	HHGB	
CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OCC)c1	408750623	PMQTXCKMGAYXHW-NLRVBDNBSA-N	418.493	3.870	50	40	HHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OC(C)=O	408767621	ZBGZXEWDRICDKA-NTEUORMPSA-N	415.243	3.929	50	40	HHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)C(C)(C)C	408777734	HJLDJEISQBTQNT-XQNSMLJCSA-N	419.522	3.868	50	40	HHGB	
CCc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)cc1	408787247	VSAPSMHKTAVRIP-UHFFFAOYSA-N	413.543	3.799	50	40	HHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)c(C)c1	408996774	DYRVGBQXYUNVDT-MYYYXRDXSA-N	403.482	3.882	50	40	HHGB