smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)C1	2887928	RSPXJTAOYNNABT-DFLSZHIOSA-N	446.532	3.592	50	40	IHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	16693894	YSPNKCRKPOYUDK-HMAPJEAMSA-N	444.535	3.520	50	40	IHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1	58744713	FBICMMHMTKHNOM-UHFFFAOYSA-N	446.404	3.911	50	40	IHGB	
Cc1ccc([C@@H]2[C@@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	102665346	LARDTZQEAYSVKI-YPAWHYETSA-N	443.499	3.818	50	40	IHGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(N4CCOCC4)cc3)c2c1	685546	ZQRVMHYPUQMRDS-MFKUBSTISA-N	434.565	3.931	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OC)c2OC)sc(C(C)=O)c1C	945258	JNLXLJNKNWEHQG-UFFVCSGVSA-N	433.486	3.609	50	40	IHGB	
COc1ccc(OC)c(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(O)c3)C3=C2CCCC3=O)c1	1064712	ZCCNAWLBIWNSLD-HSZRJFAPSA-N	447.491	3.723	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cc(C)c(C)c41)[C@H](C)CC3(C)C)C(C#N)=C(N)O2	1461540	VORAVIWEEKFZIF-XELLLNAOSA-N	431.492	3.570	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@@H](C)Nc2cccc(Cl)c2)c1O	2747657	WFEJCKCEPPHMEA-KTMXNEEYSA-N	426.698	3.767	50	40	IHGB	
C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1	9119760	ABOSIGJBSVQLIF-PXLXIMEGSA-N	431.583	3.565	50	40	IHGB	
CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(N(C)C)cc1	9264731	RFZKUFIUMYNZKN-YABZZONLSA-N	446.551	3.576	50	40	IHGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	19951301	UTBSFPYHWUMXPJ-YZSQISJMSA-N	444.516	3.580	50	40	IHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	28214133	YGALGWULHVYQPS-NFXIUMSZSA-N	437.521	3.606	50	40	IHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	108228564	AZVAZFRWNATBQE-WGOQTCKBSA-N	449.576	3.953	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)o1	223488531	XQPHGFCIJFJXEQ-YBFXNURJSA-N	441.269	3.503	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1	409031932	BQTKJQQYHPHYFE-NTCAYCPXSA-N	430.460	3.697	50	40	IHGB	
CC(C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br	1054687	YBMGYLQUDPVTIZ-UHFFFAOYSA-N	441.949	3.898	50	40	IHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC	2179313	PAMKSMJPSFSOSD-QGZVFWFLSA-N	449.301	3.667	50	40	IHGB	
CO[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431174	VSTJWUMERKEGGP-OKYOBFRVSA-N	449.297	3.594	50	40	IHGB	
COc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1	9445757	GMXCHNRGFRTAIO-QFEZKATASA-N	444.495	3.660	50	40	IHGB	
O=C1N=C(NNC(=O)c2ccncc2)S/C1=C/c1cccc(OCc2ccccc2)c1	12580045	BZVXTDPFCPQPHU-XSFVSMFZSA-N	430.489	3.566	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	57315303	VTYSKPOBJGNGLD-NLRVBDNBSA-N	443.507	3.681	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O	59678503	KYORRPORXNBHJX-AUEPDCJTSA-N	437.279	3.958	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccccc1C	409005648	GBNPKYPMNPYCRQ-QQXSKIMKSA-N	431.492	3.714	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1OCc1ccccc1	408610255	NASRBZWSFKOTQS-GMJSKMFWSA-N	431.920	3.683	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc(OC(C)C)c1	408969159	IFVQJXAQZGDDSS-WGLQLPMYSA-N	439.556	3.842	50	40	IHGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408995183	AOGFAZYILCFOFM-ZVHZXABRSA-N	445.435	3.569	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCC#N	408747194	KILPQATVKOJUPA-SXGWCWSVSA-N	426.270	3.583	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NCCc1ccccc1	408767478	KXZHTWSVYMIJIO-JVWAILMASA-N	435.911	3.842	50	40	IHGB	
C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@H]1CC[C@]2(O)C(=O)CBr	627260070	JLZAWPXFXHUIRQ-OKRKHONKSA-N	441.406	3.654	50	40	IHGB	
C=CCN1C(=O)/C(=N/NC(=O)c2ccc3ccccc3n2)c2cc(Br)ccc21	821829	HIXWCDDMVUOZDM-LYBHJNIJSA-N	435.281	3.664	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2CCCC=C12	1057657	LLZKFVXCOHAUEZ-ZBLYBZFDSA-N	431.499	3.981	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	5793645	LSRSWPOHNLNWOA-LYBHJNIJSA-N	429.586	3.929	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nnc1-c1ccc(Cl)cc1	9019759	FGKQIBSYBZRCEV-SSDVNMTOSA-N	445.932	3.575	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567762	XQCYAMUGPJVVSC-DEOSSOPVSA-N	448.885	3.914	50	40	IHGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1	211031367	CLXOCPPNLWHOTP-HAVVHWLPSA-N	431.558	3.737	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)c1	408590560	PPYFVDHTVZHDDS-LPYMAVHISA-N	431.583	3.917	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1I	670234	WAHUCGMEMSSJJX-CAOOACKPSA-N	429.601	3.617	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)nc12	2206730	QKUNJPLQQCZJKW-HMMYKYKNSA-N	448.548	3.578	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OC	8812116	AVGYNEITSOQTPK-KEBDBYFISA-N	442.228	3.602	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1C#N	33628042	SMSLTMNPSKSRAY-YSMPRRRNSA-N	444.447	3.747	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408606736	ANYYBBGCRPHTCN-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OS(=O)(=O)c1ccccc1	408894608	JUUISWBOLHKKMQ-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H](O)c1ccccc1	409141077	LVQBWTWACDDFOI-NIQDBXHUSA-N	444.241	3.801	50	40	IHGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1	408604987	JKYKMWIHLIPBTL-IBGZPJMESA-N	431.492	3.770	50	40	IHGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1	408794104	HSAOVFDMVABHNZ-SXZORUHJSA-N	429.476	3.759	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)NC(N)=O	409255615	ZFJFKCWIOGMXRS-MLPAPPSSSA-N	434.677	3.783	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br	23382587	JMBCIVZNCXRQEW-GSFUKFRZSA-N	435.318	3.603	50	40	IHGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1	2174564	FJJDWTWZDGGHJW-LPYMAVHISA-N	431.514	3.541	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)cc1	6266851	UZZMVLVYIMCPJE-LCYFTJDESA-N	434.233	3.941	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OC(C)=O	408766014	NSUYHAZYUQEDKM-RQZCQDPDSA-N	443.297	3.996	50	40	IHGB	
N#CC1=CCC2=NC=C(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)C2=C1	95707918	ABQPYXCLIOOQAY-UHFFFAOYSA-N	441.535	3.943	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1	15227090	GAYFQEHQLHMALL-ZHZULCJRSA-N	442.519	3.663	50	40	IHGB	
Cn1nc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)c2ccccc2c1=O	20835751	PANKWMWOPIHUCB-JVWAILMASA-N	435.487	3.856	50	40	IHGB	
O=C(N/N=C1\[C@H]2[C@H]3C[C@@H]4[C@@H]2/C(=N\NC(=O)Nc2ccccc2)[C@H]2[C@@H]1[C@@H]3[C@@H]42)Nc1ccccc1	104202360	TYRFZTBYWFHEKN-YLRMVIMTSA-N	440.507	3.730	50	40	IHGB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NCc1ccc(N(CCCl)CCCl)cc1	104184966	ZCVIUVMLBJLDOY-OAQYLSRUSA-N	439.383	3.940	50	40	IHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(C)c(C)c1	408952031	JQGDUDIDSDHJRY-YRNVUSSQSA-N	430.320	3.609	50	40	IHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	9634648	JNLUKEUVESATNG-DHRITJCHSA-N	434.862	3.945	50	40	IHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	28215207	KVRLMZYKKRISHU-JVWAILMASA-N	447.560	3.933	50	40	IHGB	
Cc1c(Br)cc(/C=N/NC(=O)CNC2CCCCC2)cc1Br	409376352	AASMYFMMVATINU-AWQFTUOYSA-N	431.172	3.892	50	40	IHGB	
Cn1c2ccccc2c2cc(S(=O)(=O)NNC(=O)c3cc4c(s3)CCC4)ccc21	40152686	YLPAQDKGBSOHQZ-UHFFFAOYSA-N	425.535	3.505	50	40	IHGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(CC)cc3)NC2=O)cc1	11690664	BYMXWPNPDQGAPO-LBMWUGKUSA-N	449.532	3.574	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(C)c1	408982934	ZVMOGEDUFYYRPW-NFCNUSAFSA-N	441.528	3.564	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	12429181	XWULUFVEDLCJID-SSDVNMTOSA-N	427.800	3.899	50	40	IHGB	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1	19637887	AMAPVWCQUINMJI-LFYBBSHMSA-N	443.437	3.670	50	40	IHGB	
COc1ccc2c(c1)nc(SCC(=O)N/N=C(\C)c1ccc(Br)cc1)n2C	30822802	NCBXJLUXSDODGW-WSDLNYQXSA-N	447.358	3.977	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OC	32519940	ZMESAYIDDPJUSK-AWQFTUOYSA-N	449.330	3.585	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c(C)c1	33795581	XYZBDCAXGPAFPO-QFEZKATASA-N	448.479	3.790	50	40	IHGB	
Cc1ccc[n+]([C@@H]2[C@H](c3cccs3)C(C#N)=C(C(=C=N)C#N)N[C@]2(O)c2ccccc2)c1	33890358	VTGUYKQASLNQOV-CAOCKLPOSA-N	438.536	3.594	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(Br)cc1C	408709307	ZFQOQYIWPGTQIK-FOKLQQMPSA-N	449.736	3.907	50	40	IHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(I)c(O)c([N+](=O)[O-])c1	408743920	IEUYWTZVLSYQCN-SDQBBNPISA-N	449.204	3.759	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408801622	UZTLRHVZAKYNOD-LFIBNONCSA-N	439.265	3.793	50	40	IHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1	408803040	KPOHITUXXQFVQQ-RIYZIHGNSA-N	445.269	3.775	50	40	IHGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(F)c1	408966239	KUXOUUYOYGNZOF-IFRROFPPSA-N	441.054	3.692	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC#N	6600544	VMTNCXSYUWFFOW-JOCHJYFZSA-N	427.464	3.700	50	40	IHGB	
CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c1	408766431	QLCKLYWZDTYFPN-ZROIWOOFSA-N	432.217	3.762	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccccc1OC(C)C	408971267	FCYJPUGYUAMKEF-YNYZQSIGSA-N	439.556	3.842	50	40	IHGB	
O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)NNC(=O)c1ccccc1	3337830	ODLYHMKFCUTPAZ-UHFFFAOYSA-N	438.867	3.537	50	40	IHGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccc(Br)cc1	8778649	SHTRXBSOTDMYMZ-LSFURLLWSA-N	425.208	3.968	50	40	IHGB	
CC[C@@H]1CCc2sc(C(=O)NNC(=O)CSCC(=O)Nc3cccc(C)c3)cc2C1	15556167	QRVKUYNLHYOGKQ-OAHLLOKOSA-N	445.610	3.704	50	40	IHGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	34868765	PXPAVZQLKDWTRP-MTJSOVHGSA-N	448.273	3.624	50	40	IHGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc([N+](=O)[O-])c1	408543707	QKFGFJZAIMUQSL-FOKLQQMPSA-N	432.392	3.653	50	40	IHGB	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	12816314	PQOVZUIPYFQPNK-MRXNPFEDSA-N	428.510	3.995	50	40	IHGB	
CCOc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	19950777	QZQGWAYXDBCLPC-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
O=C(NNc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)NCC(F)(F)F)c1	32904771	BKUGNNXCRRHJDB-UHFFFAOYSA-N	442.246	3.591	50	40	IHGB	
O=C(N/N=C\c1cc(Br)ccc1O)C(O)(c1ccccc1)c1ccccc1	96850683	JQPROOYCXTUQLY-UCQKPKSFSA-N	425.282	3.541	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1OC	409316717	MXTSCFNXYWFMJA-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(F)cc1	1054913	MBTDLWBCHRRSFJ-DNTJNYDQSA-N	429.087	3.913	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1	9355232	UQLHCPNUAKJEOA-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9369815	LRBJQSJGVOTHNQ-XXYIUCMZSA-N	441.409	3.945	50	40	IHGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(C)ccc(C)c2nc1Cl	12701084	BZCJTDHYQDCBJH-GOSISDBHSA-N	427.888	3.776	50	40	IHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCCCn1ccnc1	26966401	DZZWZZDGZYATAY-NBVRZTHBSA-N	428.521	3.911	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	34855983	PIHMVLUWKSETPA-WSDLNYQXSA-N	449.301	3.804	50	40	IHGB	
COc1ccc(CCNC(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1OC	102726196	QKVJGTNRBPVIQY-NDXORKPFSA-N	438.362	3.521	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408746125	BRKASRFLACAHOX-ZROIWOOFSA-N	445.269	3.555	50	40	IHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccc(F)cc2)o1	409153073	CMEMDWGVEMDFPQ-HZZGJGATSA-N	438.415	3.571	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1COc2ccccc2O1	2329183	GPPTXVXBBLKQIE-SKFLCBSZSA-N	427.800	3.798	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NCc1ccccc1	2377853	OHQVNPCEQBHDIV-NBVRZTHBSA-N	440.434	3.849	50	40	IHGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	13533442	LRBJQSJGVOTHNQ-YSTMGTLHSA-N	441.409	3.945	50	40	IHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1	19926283	UZKDXFXVGHMDNG-HZHRSRAPSA-N	427.913	3.686	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1C	19949304	FHEVSVGAYHWHSR-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)O	32180671	XDCAUDAQNHTCQS-VGOFMYFVSA-N	445.269	3.775	50	40	IHGB	
CN(C)c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408910464	WSIMLECFSRCXBV-JMIUGGIZSA-N	431.246	3.933	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccccc1C	409206975	XVLDWHFJPFZUIQ-UKQGIEBLSA-N	436.508	3.664	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccccn1	409244361	BNLSFQOXBQHGNB-FMCGGJTJSA-N	427.302	3.781	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1OC	1104655	UXGLYGXCRZMQJO-MDWZMJQESA-N	440.281	3.664	50	40	IHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)ccc1O	1437709	UZIFARAFSCSMIW-CIAFOILYSA-N	430.245	3.843	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCc1ccccc1	3226504	OOLVIKNHODBMBR-BRJLIKDPSA-N	432.402	3.640	50	40	IHGB	
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	8854722	ZJTCOUCHLSFHJV-HXUWFJFHSA-N	431.408	3.808	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1OC	12555442	RQVMMAIJLKMUFZ-UHFFFAOYSA-N	425.460	3.715	50	40	IHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccc(C)cc1	12556000	LLKHJNSJCHXOGT-VIZOYTHASA-N	448.260	3.580	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccn3C)n2-c2ccccc2)cc1	16382541	BFSHQDFPSBMKTH-IWIPYMOSSA-N	446.536	3.524	50	40	IHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1	27528007	JAOFQYCVBILLPZ-BUVRLJJBSA-N	425.485	3.556	50	40	IHGB	
COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408778439	UPPZGTWITOYOBQ-UHFFFAOYSA-N	449.960	3.899	50	40	IHGB	
CCCOc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1	408970299	FNFKJYQKEGQBKK-SYOQMXFQSA-N	439.556	3.844	50	40	IHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12	2206583	YWMNRXTWBLXLNF-XMMPIXPASA-N	449.894	3.686	50	40	IHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccc(C)cc1	4207642	QXCGDELLDZQPEE-WSDLNYQXSA-N	436.306	3.616	50	40	IHGB	
O=C([C@H](Br)[C@@H](O)c1ccccc1)[C@H](Br)[C@H](O)c1ccccc1	5014570	PRGWTZPLJPCVJZ-FPCVCCKLSA-N	428.120	3.550	50	40	IHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(I)cc2)cc1C	8385833	QXAQYDMWWLSNMU-CIAFOILYSA-N	449.292	3.777	50	40	IHGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2nncc2-c2cccs2)cc1	9576495	AZYUZQMDAJXMBA-UHFFFAOYSA-N	447.564	3.973	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	16292981	LKHMGHLYXHAUPM-DHDCSXOGSA-N	429.270	3.855	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)CSC(c2ccccc2)c2ccccc2)cc1OC	28777120	KXIZABGHXPZRGT-UHFFFAOYSA-N	436.533	3.988	50	40	IHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccc(C)cc1	408534755	QYMKAQLGGODKHW-BOPFTXTBSA-N	441.329	3.915	50	40	IHGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792595	BDZYZSLIVLIHEX-NYYWCZLTSA-N	436.207	3.911	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	818390	ODUQNCRILHAWPU-DNVCBOLYSA-N	433.863	3.611	50	40	IHGB	
COc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1Br	9289347	UMPHSHZVWJWPSJ-VXLYETTFSA-N	426.108	3.913	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1OC	9427937	FVENUBDXBWTCGD-JVWAILMASA-N	429.480	3.656	50	40	IHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cccs1	9635506	WAMVFLIIZMROFG-UHFFFAOYSA-N	435.534	3.549	50	40	IHGB	
CCC1CCC(=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)CC1	16636804	ALCSKXUDJJZUHR-UHFFFAOYSA-N	443.569	3.963	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	33497464	PDUQKJDBWTWRFI-MSXFZWOLSA-N	426.856	3.818	50	40	IHGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1	58919157	RUKJDMKKWLSCRQ-HYARGMPZSA-N	427.551	3.787	50	40	IHGB	
CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	101401648	GKRBDGLUYWLXAX-GOSISDBHSA-N	444.440	3.527	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1	8780765	JHYREAACYVQEEP-OEAKJJBVSA-N	430.346	3.820	50	40	IHGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1	9259750	FUKYDLNTCNLGIW-HEHNFIMWSA-N	441.487	3.989	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCCOc3ccccc3)c3ccccc32)c1	46085154	IMRXHTVPLUAUMI-FVDSYPCUSA-N	443.503	3.710	50	40	IHGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223162721	AHIZFFULNIMHCK-WGARJPEWSA-N	446.507	3.586	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1	408601105	ABCZUUIYSMHUPE-GOSISDBHSA-N	449.482	3.910	50	40	IHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(O)c(I)c1	408963899	PYIQJRXPKNIXGN-NHDPSOOVSA-N	446.244	3.679	50	40	IHGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1	409006587	PSBVDIDKWGFCHI-PCLIKHOPSA-N	425.916	3.907	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	409007902	ROSUOMTXKKDUHB-WGOQTCKBSA-N	431.492	3.714	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)=O	671296	HOZXBAQOSUTORK-WMJRALALSA-N	425.268	3.845	50	40	IHGB	
O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1O	973403	KRKRXXDZKYZNSH-PCLIKHOPSA-N	443.532	3.806	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	1435311	YOSRGCJGXXTPEL-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C	2627972	FKDBEAIEEVTMMZ-UHFFFAOYSA-N	447.322	3.938	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2)[C@H]2CN(C(=O)OC(F)(F)F)CC=C12	20792348	SGGDCBKKKXLMKD-JKSUJKDBSA-N	447.804	3.722	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)CO2	28616222	DABNGDSZERQCOS-VNEPXBKZSA-N	448.479	3.973	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1	30843512	XEJNUGYHDMKXHV-QFEZKATASA-N	447.447	3.960	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1	33668357	FKBKCQGRFAUQMB-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
COc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3nc(C)cc(C)n3)[C@H]2c2ccccc2)cc1	40049265	FFOJSHCGGZPPGR-FYYLOGMGSA-N	445.523	3.730	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc2ccccc2c1	59246886	QCPXFWVIGMFZPK-PKAZHMFMSA-N	447.535	3.600	50	40	IHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1	59250185	PUAFBFXACISOSB-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c(C(=O)OCC)c1C	108952657	CEJRNLWNOXZGQZ-GXDHUFHOSA-N	444.509	3.788	50	40	IHGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1	408885696	FDAWRADZKVXODX-LSHDLFTRSA-N	438.292	3.665	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409359235	AMYQUARHWXSQHK-MYYYXRDXSA-N	447.447	3.638	50	40	IHGB	
COc1cc(Cl)cc(/C=N/NC(=O)[C@H](C)Nc2ccc(Br)cc2)c1O	687110	CNKBCZLGFXLPPJ-YPZZKDGISA-N	426.698	3.767	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1Cl	17472530	WHIUWMZMNAYFGI-YSURURNPSA-N	433.295	3.760	50	40	IHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408829952	KXEWQUDMACAMSA-SSDVNMTOSA-N	433.848	3.733	50	40	IHGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])c1	409220276	VZQMKMXCJRSBMP-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCCC3)nc3ccccn3c2=O)cc1	2202600	RIQWERLTLUYAEO-KNTRCKAVSA-N	427.508	3.929	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1cccc(Cl)c1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	2359842	XSOFOBMNFQYDAK-NRFANRHFSA-N	447.878	3.805	50	40	IHGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1	9381879	KKAGAVYTSTYPBL-UHFFFAOYSA-N	444.582	3.845	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)cc1	13811025	VRSONCDOIUYOHN-XDJHFCHBSA-N	427.508	3.847	50	40	IHGB	
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccccc1	15474489	LOYCPJICYJNXHP-UHFFFAOYSA-N	434.883	3.730	50	40	IHGB	
Cc1noc(-c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc2)n1	23200343	GPOOZVJWVNZNBP-UHFFFAOYSA-N	428.448	3.552	50	40	IHGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1	100040334	QRUDAZXIICQKFD-LRWRMMADSA-N	427.136	3.586	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	107761076	WQRHALKCNUPEGT-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)cc1	408794411	SFLBTSXIGCNFHZ-RIYZIHGNSA-N	445.269	3.799	50	40	IHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1ccccc1Cl	409219145	JKOAMGNVUAYZKS-KPKJPENVSA-N	434.677	3.512	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1Cl	8861601	CJVUIHHMSMRHTO-ZMOGYAJESA-N	441.940	3.508	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1C#N	9354892	OJWKTDBARDQISV-OPEKNORGSA-N	438.871	3.851	50	40	IHGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1O	9355325	JSQZLNJSDBWOEC-ODCIPOBUSA-N	442.255	3.843	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cc1OC	23410899	BUZAGHIADAFGTF-UZNZPLKLSA-N	434.448	3.608	50	40	IHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	24536653	BHYFFVRFKCDARQ-VIFPVBQESA-N	442.686	3.872	50	40	IHGB	
COC(=O)N/N=C(/C)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104295986	CNNVOWBKVGCQGM-DJPZSDAVSA-N	437.496	3.540	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408718604	IFYQQTOVOQBARY-XYGWBWBKSA-N	447.447	3.906	50	40	IHGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1	408843580	MGXWOEFBCOQNNV-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1	408870216	VWCQLEVIZMJLLX-YDZHTSKRSA-N	439.313	3.945	50	40	IHGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC(N)=O	409232958	COWJTYSDTUTWGP-QPEQYQDCSA-N	434.677	3.783	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1Cl	409322178	JDRXDBKDQIWZPE-HNNXBMFYSA-N	433.961	3.823	50	40	IHGB	
CN(C)N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1C[C@@H](c1ccccc1)CC2=O	1440866	OVDIXDDUODAAMS-VGOFRKELSA-N	429.480	3.565	50	40	IHGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	6137121	LEIKPUAAXNCYOE-QFIPXVFZSA-N	449.532	3.936	50	40	IHGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccccc3F)c3ccccc32)cc1	9446809	LHTMWRRIHBPZFG-LNVKXUELSA-N	438.462	3.875	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1cccc(OC)c1	13757710	ZETZJPPOYBJFKY-RWZYYMRUSA-N	427.913	3.521	50	40	IHGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl	13943494	ZPZVWZXHDKMFFH-ZTFCMROMSA-N	434.279	3.800	50	40	IHGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Cl)cc1	100539742	UINOFCFQLOYKAQ-XALSLBCYSA-N	433.527	3.622	50	40	IHGB	
CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1	253394154	AMHHASSMTOTIRK-QFIPXVFZSA-N	440.507	3.879	50	40	IHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	408841316	GFFXMGCRNAITRN-YDZHTSKRSA-N	447.407	3.828	50	40	IHGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1	12915835	XVPHIXADKJXKEX-SFHVURJKSA-N	441.553	3.599	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	33293701	SRXJPSIDVBQHHZ-AFUMVMLFSA-N	446.463	3.993	50	40	IHGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1	33516137	BSLNJGAATTZVBB-QFEZKATASA-N	448.479	3.790	50	40	IHGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3cccc(C)c3)c3ccccc32)c1	46084925	LMASIGIDOAKINM-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	408607659	DWPAVFGCPKIYDD-YZSQISJMSA-N	429.476	3.919	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1	408756523	SOIWCGADANOCTN-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)o1	409168615	MZHARWRWUYTLEV-BHGWPJFGSA-N	440.843	3.697	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1O[C@@H](C)C(=O)O	409232885	CCWUEXJRQHXTIP-YSGZUTGPSA-N	435.480	3.719	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1	409311198	DSQAFBZIOICQDJ-INIZCTEOSA-N	425.485	3.935	50	40	IHGB	
O=C(N/N=C1\CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1	12531648	CZCGZZLLOOESRF-FCDQGJHFSA-N	447.557	3.630	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1	12571046	GASWZFRRRODFIT-IZZDOVSWSA-N	447.394	3.811	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1	19937034	HKBDZCHQBDLDMG-XIEYBQDHSA-N	449.532	3.840	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1	35376938	JMGWOZCMDZDUSV-REZTVBANSA-N	429.068	3.527	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)c(OC)c1	408873506	VAFCIGYDPAXZFG-OVCLIPMQSA-N	431.286	3.698	50	40	IHGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)/N=C(/N)O)cc3)n2)cc1	2207246	FNMSCZWTEMOAGV-RVDMUPIBSA-N	439.522	3.657	50	40	IHGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)C1	2359785	LAZSOEDTQBWZFT-AAFWBBPOSA-N	444.579	3.954	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1	6196447	LYLLZKZUCTVPFG-IBGZPJMESA-N	448.479	3.719	50	40	IHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1C	14201088	NMUDNNPPWFJVNQ-OAHLLOKOSA-N	427.501	3.723	50	40	IHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1	23410578	ZSLFPOZSELPWGD-BUVRLJJBSA-N	441.940	3.681	50	40	IHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)c1	58914132	YPSYCBHSIHCOJH-QRQIAZFYSA-N	430.552	3.910	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	408786134	MTOVNFDYLISSMP-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
COCCOCCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1668405	PWLBJHOROWTGGC-BMIGLBTASA-N	440.128	3.682	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	16309155	SUNOZMYLITWFGV-LFVJCYFKSA-N	437.521	3.558	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCCC1	20233279	FYVIQJHMRQFTIP-UHFFFAOYSA-N	444.513	3.617	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccccc1	20986344	WASBCVZALVJBPO-ZMOGYAJESA-N	436.537	3.923	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1	408878241	YSJFWCRDBXHTRS-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)O	409232842	SMKZPLBKOALTQH-DUPVFGOHSA-N	428.872	3.986	50	40	IHGB	
C[N+]1(CCCCBr)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	504013981	PQDPREKWAAZKID-GOMLDRIQSA-N	425.387	3.621	50	40	IHGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1	705873	RTKWILSYKYJSQX-HXUWFJFHSA-N	446.532	3.987	50	40	IHGB	aggregator
NC1=N/C(=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21	4459964	BYMYYJXVHINWSF-UHFFFAOYSA-N	445.482	3.811	50	40	IHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	16489134	PXWGWYDEFRLHQV-WPWMEQJKSA-N	442.519	3.501	50	40	IHGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3cccc(O)c3)c3ccccc32)c1	35352607	RRICRAXOCSHLRT-WGARJPEWSA-N	427.460	3.946	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2cccc(C)c2)c1Nc1ccccc1C	408708337	PFQCGQXVFNTELU-JVWAILMASA-N	430.508	3.822	50	40	IHGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	408996423	DPZWRLGWWFERQW-VULFUBBASA-N	445.454	3.563	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(C(F)(F)F)c1	409103697	BGCGHIDCHRHWEA-IFRROFPPSA-N	432.152	3.846	50	40	IHGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(O[C@H](C)CC)c(OC)c2)c([N+](=O)[O-])c1	1429146	JKSGIIWGXXCNJV-LJGKHRNASA-N	429.473	3.872	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)cc(Br)c1O	2675486	BVMCOZDPPLEJAD-SSDVNMTOSA-N	429.270	3.846	50	40	IHGB	
O=C(N/N=C/c1ccccc1I)c1ccccc1Br	3157778	QUAPVJBKIGFFBO-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O	9948902	OGRFVNQSHJNAND-DNTJNYDQSA-N	428.228	3.535	50	40	IHGB	
C/C(=N\NC(=O)c1ccccc1Br)c1cc(Br)c(O)cc1O	20761184	QKCYGOLEUZYOJD-QGMBQPNBSA-N	428.080	3.777	50	40	IHGB	
COc1cccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1	33907330	WORHHXRXYQEPEJ-LCJWNIEWSA-N	448.331	3.914	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1	100037200	YAERSCVLMWWJML-RCLSJUROSA-N	433.895	3.806	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408850087	FOERGDPSARCPQG-UUYOSTAYSA-N	427.254	3.980	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409089782	KFVFYHBKHIOLJW-NUGSKGIGSA-N	442.815	3.799	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1OC	9069261	VKKNTLMTVYDFOP-YDZHTSKRSA-N	439.424	3.573	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C[C@H](O)C[C@@H]1C=C(/C=N/NC(=O)c2ccncc2)c2ccccc21	36369585	HAGTVSUBLANLCI-WOBYKOIVSA-N	432.568	3.992	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)c2cc(-c3ccccc3)nn2CCC#N)c2ccccc21	103087130	LBVMEBMSCMWOJN-VYIQYICTSA-N	440.507	3.745	50	40	IHGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1C	408603231	FFDHZJPUGJFDKR-SRKIZSPNSA-N	430.508	3.918	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(Cl)cc1	408775933	WZQPTWTYRYDIPS-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)CO2	13899100	JZSKAMPQTZXHAE-VINCFHDLSA-N	433.848	3.541	50	40	IHGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(F)cc2)nc1	16500810	PUYUNDFLZBZJHR-UHFFFAOYSA-N	429.477	3.585	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	16741429	CCZJCQKBKUDTBK-SANMLTNESA-N	443.478	3.978	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C	408692799	VSQIQBGJMXSWBN-BRJLIKDPSA-N	439.447	3.712	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)OCC	408810509	JISBLJJSRSFSMJ-STZFKDTASA-N	434.492	3.589	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br	408817075	VEKWJASEPFSGCM-ONRVGMAUSA-N	449.345	3.993	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1	409272703	RRFUXHPZULOBEQ-BOOTZKDASA-N	443.503	3.777	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1	713270	VYFIYBPPGYYYJY-JOCHJYFZSA-N	429.480	3.966	50	40	IHGB	
N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	1422443	KJOBAVVEIFPFHE-HSZRJFAPSA-N	436.393	3.515	50	40	IHGB	
CC[C@H](C)c1ccccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	18179239	YPUVYUYMCSZVMU-LBPRGKRZSA-N	430.302	3.814	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912364	OXHGZIKDAXSDCZ-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)[C@@H](C#N)C12CCCCC2	652706	TXRGIHKXYQWHIL-MRXNPFEDSA-N	433.489	3.664	50	40	IHGB	biogenic
COc1ccc(/C=N/NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1	1783884	MRAWLEOBYDVQRX-BRJLIKDPSA-N	432.505	3.592	50	40	IHGB	
COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2392844	QYCFWWOUTPVTOV-SANMLTNESA-N	445.519	3.842	50	40	IHGB	
O=C(COc1ccc2ccccc2c1Br)NNC(=S)Nc1ccccc1	2561748	QGRSJLUMSLOFOI-UHFFFAOYSA-N	430.327	3.999	50	40	IHGB	
CCn1c(NNC(=O)c2ccccc2SCc2cc(C)no2)nc2ccccc2c1=O	32907432	TYUWBCSLDCWJJH-UHFFFAOYSA-N	435.509	3.762	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)c2C)cc1	58911770	XKSQOYPVDYNMCK-VULFUBBASA-N	438.915	3.523	50	40	IHGB	
CCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(C3SCCS3)cc1)OCO2	408570501	WAPIIUPJMYBHQZ-SSDVNMTOSA-N	446.550	3.822	50	40	IHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)CC)cc1	408718234	DGFBCFOVQRXTHM-WSDLNYQXSA-N	446.301	3.877	50	40	IHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1	409009528	ATGNOVXRZBAOBQ-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3ccccn3c2=O)cc1	2200848	FGKQISVCCHKZQB-FBMGVBCBSA-N	443.507	3.629	50	40	IHGB	
O=C(CCc1nc(-c2ccc(F)cc2)no1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	8191245	YOJHDYNCNZHVNT-UHFFFAOYSA-N	426.492	3.562	50	40	IHGB	
O=C(CCCl)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	9062479	HWCLVLAHPDCHMA-UHFFFAOYSA-N	431.861	3.933	50	40	IHGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1OC	9720523	AGTYDJZQBLTOSE-SKGPFOJCSA-N	435.505	3.687	50	40	IHGB	
Cc1cc(C(=O)NNC(=O)CC2(CC(=O)O)CCCCC2)c(C)n1-c1ccc(F)cc1	12641423	MBTAVOGJQGUJFR-UHFFFAOYSA-N	429.492	3.810	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1NC(=O)c1ccco1	13133965	AJEXBYIVEJDJES-UHFFFAOYSA-N	448.298	3.739	50	40	IHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1	409185221	ULNIIFBUKGZSRB-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1	1055836	JPVVLBPUHGIHJW-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
CC(C)CCOC[C@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	8965084	OXEYJANPEZRLMM-RBBKRZOGSA-N	443.613	3.677	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(F)cc1	58919170	HKFJXCMMGKQKTA-KOEQRZSOSA-N	439.512	3.946	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1)C(=O)NC1CC1	408706586	BYNNOGORTUPOFC-UFFVCSGVSA-N	435.709	3.575	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409113237	HFADFZBJHOOVGZ-YDZHTSKRSA-N	445.928	3.895	50	40	IHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2)cc1OC	3147426	GFXITFWFNWTANS-WTUKZMCFSA-N	429.476	3.625	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1	16362996	GIWJFDPESJIAKQ-CVKSISIWSA-N	447.491	3.550	50	40	IHGB	
CCCCC/C(=N\NC(=O)CSc1nc(C)cc(N2CCOCC2)n1)c1ccccc1	16637716	DMVNONLNPMYEME-LHLOQNFPSA-N	441.601	3.815	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(C)(=O)=O	20212315	KTBAUVIEPXJVDJ-HKOYGPOVSA-N	445.585	3.630	50	40	IHGB	
CCOC(=O)c1ccccc1OCc1cc(/C=N\NC(=O)c2cccnc2)ccc1OC	33352026	MBWPOXFIUDPGHB-WGARJPEWSA-N	433.464	3.610	50	40	IHGB	
COc1ccc(/C=N\NC(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)cc1	34720137	BKGXXLQPNMTGCO-FZOLIUJXSA-N	429.476	3.625	50	40	IHGB	
Cc1ccc([C@H]2[C@@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	102665351	LARDTZQEAYSVKI-VSKRKVRLSA-N	443.499	3.818	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(Cl)cc2)cc1	408786730	VQYUNEOSPXXSTH-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)c1	8811081	SHYISJXLYKPXGT-WSDLNYQXSA-N	425.397	3.548	50	40	IHGB	
O=C(COc1ccccc1I)N/N=C/c1cccn1-c1ccccc1	9259105	OEWMMLFGRHVXGM-FYJGNVAPSA-N	445.260	3.611	50	40	IHGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1	9793001	OVQDEMAUDVTIIE-CQSZACIVSA-N	432.977	3.703	50	40	IHGB	
Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	15906332	PCZDODZMPYCSIX-NBVRZTHBSA-N	440.463	4.000	50	40	IHGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)NCCCc1ccccc1	409233917	UPMXESKFVJLIEN-WJDWOHSUSA-N	432.261	3.653	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC	409316512	YPTDFLNNAVLUOU-OYKKKHCWSA-N	430.888	3.922	50	40	IHGB	
COc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1	8993798	NDYVCSPEJJLGNF-XMHGGMMESA-N	448.475	3.978	50	40	IHGB	
CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)Nc2ccccc21	11617383	DXXXRQSAVQJNJU-HIXSDJFHSA-N	444.516	3.991	50	40	IHGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)c(C)cc2nc1Cl	12701090	GYFQMRMDMLTMLZ-IBGZPJMESA-N	427.888	3.776	50	40	IHGB	
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	28424816	WZGRYPFKRHYLKH-UHFFFAOYSA-N	427.913	3.682	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	34702985	JYEOGIARTYZLBL-IWIPYMOSSA-N	433.420	3.977	50	40	IHGB	
O=C(N/N=C/c1cccc(Br)c1)c1cccc(I)c1	59371306	CYSBQENJUKWMFK-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccc(I)cc1	100034824	FOMKXOXCVVKHBU-SRZZPIQSSA-N	439.228	3.565	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408607432	CYBPIKYHEFXDLC-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1	409024706	UXMLWBMIGGIOOC-MXAYSNPKSA-N	446.419	3.941	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2)c(=O)c1C#N	409060837	WLIQKCZCENYXSX-MRUKODCESA-N	444.253	3.622	50	40	IHGB	
O=C(Cn1cnc2ccccc21)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	716936	YUDBONKYFQFOTC-NFFVHWSESA-N	443.894	3.757	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OS(=O)(=O)c1ccccc1	2077166	LBPZCULCQBTODH-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
Cc1ccc(S(=O)(=O)OCCOCP(=O)(c2ccccc2)c2ccccc2)cc1	2217845	DANKMLZFJAUILQ-UHFFFAOYSA-N	430.462	3.689	50	40	IHGB	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c1	2795324	QIERPYHMFGSNEF-GFCCVEGCSA-N	438.395	3.533	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(C)nn(Cc2ccccc2)c1Cl	3318394	XYPPFVRLDXOUQX-ZMOGYAJESA-N	426.904	3.821	50	40	IHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1C	9284413	XNCQAXUDVHRCJI-UFFVCSGVSA-N	446.503	3.997	50	40	IHGB	
C[C@@H]1CC2(CCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(F)cc1c32	14162367	UXVMDIMATKCTOT-YMXBGEKHSA-N	433.483	3.961	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@@H]1c1ccco1	20028784	UOFFWKQXWHHBAY-QGZVFWFLSA-N	442.522	3.533	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	20208546	WMRWIKHYBNSJKO-LYBHJNIJSA-N	429.586	3.929	50	40	IHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C	408970240	DGWQBOALBBKSPN-HUHXJTTESA-N	445.947	3.717	50	40	IHGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cn1	2360576	GLEGTHPCEGBLPL-LKUDQCMESA-N	449.308	3.833	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c([N+](=O)[O-])c1	4090208	KCDWQTFJOYRAPJ-BRJLIKDPSA-N	435.415	3.786	50	40	IHGB	
CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	4645597	BHUXBHOEYPKWLF-LJQANCHMSA-N	442.928	3.795	50	40	IHGB	
CCN(NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C)cc1	11355241	BXEPAIMFHGMLSE-UHFFFAOYSA-N	429.586	3.660	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2Cl)c(C)c1	16267379	KXIDOIGRYJHIGN-LSHDLFTRSA-N	442.368	3.689	50	40	IHGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	19952149	GSXYDKAEYLJHEE-UHFFFAOYSA-N	435.933	3.590	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	408791756	BZIADUQDKBWBPA-OQLLNIDSSA-N	429.270	3.855	50	40	IHGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccccc1	408798444	FFKHOTUDYIALAV-BPKVKKHESA-N	429.270	3.697	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	1444208	VQWBPLOKQJTOLS-XDHUDOTRSA-N	444.535	3.674	50	40	IHGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)N1CCCCC1	2333141	HBXWUJDNFDTHHD-OBGWFSINSA-N	444.491	3.723	50	40	IHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)c4ccccc4F)cc3)ccc12	3294150	DWRINZQYWBFPFO-UHFFFAOYSA-N	446.434	3.894	50	40	IHGB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C[C@@H](C)O1	9075718	HAFBWUMKFDYSSA-KDUYSQSBSA-N	443.532	3.982	50	40	IHGB	
CCOC(=O)CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@@H]1C(=O)Nc1ccccc1	102413896	HEVFJRABRPZPHW-GOSISDBHSA-N	426.542	3.594	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c(C(=O)OCC)c1C	408546661	LSKOWKDHWLETDS-XYOKQWHBSA-N	446.437	3.630	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1cccc(F)c1	408949804	CGUZKCNZUBEUPJ-OMCISZLKSA-N	437.006	3.550	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)[nH]c2ccccc12	408970616	JHTOQYYZNCNSFZ-MNVTYAKESA-N	434.540	3.845	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c(C)c1	409013073	JYGDQVZMYDFCFI-LHXREVONSA-N	445.947	3.717	50	40	IHGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3cccc4cccnc34)o2)cc1	409014840	LIVYRGBVPGFHJH-WGARJPEWSA-N	429.432	3.811	50	40	IHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)cc1	409126615	LPMZREXYBULAPW-MFKUBSTISA-N	427.570	3.779	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409267605	ONGDMGKATXFHKL-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cncc(Br)c1	1435252	RUKONQCBLZXRGL-YSURURNPSA-N	442.244	3.966	50	40	IHGB	
Cc1noc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4ccccc4n3C)cc2)c1C	4397091	XWIURNKKILLQBL-DTQAZKPQSA-N	448.508	3.956	50	40	IHGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	28214410	YQWUGCWFZSBLDQ-XQQQEEOESA-N	435.455	3.681	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccnc3)n2-c2ccccc2)cc1	31885731	OOLFZWQZKOYCLS-MYYYXRDXSA-N	444.520	3.580	50	40	IHGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	59421146	JKJWZZIFXBXNBY-BRJLIKDPSA-N	440.385	3.769	50	40	IHGB	
CCOC(=O)C(=O)CC(=O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1	102946981	QBIOHOVAXBAEJE-STQMWFEESA-N	440.515	3.631	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O	409028989	WKFJYHZOERSKMM-HYARGMPZSA-N	442.368	3.884	50	40	IHGB	
N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NC[C@@H]1CCCO1	409196863	YINUWISNSLDJDI-GJPUVDBCSA-N	426.900	4.000	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O	2176280	MZNVXVVUPMPADU-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	2555048	NSZFIOJKHRFXHS-BEFAXECRSA-N	430.457	3.999	50	40	IHGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1OC	6300262	FUPWFUXZDMYEOS-SFHVURJKSA-N	438.509	3.999	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	9434599	AIVVCTWZFUJHHG-NYYWCZLTSA-N	446.213	3.640	50	40	IHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1	13553067	SCMXYNGCSGVUGH-LYBHJNIJSA-N	435.281	3.525	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	19947688	AHWSSLBYHCRYDK-HZHRSRAPSA-N	427.913	3.686	50	40	IHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3F)cc2)CC1	20240534	UJGAJYGHBGSXAX-MTDXEUNCSA-N	446.526	3.920	50	40	IHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(N2CCCC2)o1	408846945	KSINWZVWTTYDEN-JMIUGGIZSA-N	426.698	3.825	50	40	IHGB	
COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409370806	BHUJLPBUJKAUDM-RVDMUPIBSA-N	438.396	3.833	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	1263103	RUBFVGIEGXYXSM-SCLBCKFNSA-N	432.307	3.861	50	40	IHGB	
O=C1O[C@H]2[C@@H](Br)C[C@H](Br)C[C@H]2C=C1c1ccc([N+](=O)[O-])cc1	5328195	BLSXBJSPGFBGCG-GIFSMMMISA-N	431.080	3.841	50	40	IHGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O	8756569	FAGCLRMEOSNCKD-RPCRKUJJSA-N	438.528	3.819	50	40	IHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1	12510681	FSZISHBKIYZPPR-UHFFFAOYSA-N	442.516	3.946	50	40	IHGB	
N#CC1=C(O)NC(=O)[C@H]([n+]2ccc(-c3ccncc3)cc2)[C@H]1c1ccccc1C(F)(F)F	13136313	IBRYOUYRFLHPIA-VQTJNVASSA-O	437.401	3.803	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)ccc1Cl	58912343	IDMVXPZXUINJTD-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1	408982525	YJIWMNZVFZVOCX-LWROZRRASA-N	439.512	3.694	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1	8809761	BMFSFLDWQOQSTQ-JOCHJYFZSA-N	429.480	3.966	50	40	IHGB	
Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1ccc2ccccc2n1	12733821	AEZUITZROCGMNP-UHFFFAOYSA-N	433.493	3.602	50	40	IHGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccc(Cl)cc1)OCO3	13503606	DKSUUVNAZQQFAE-UHFFFAOYSA-N	443.912	3.733	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1	20059715	DNJBAQKAJHQBQF-LFVJCYFKSA-N	437.521	3.704	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	107923859	DIFVIMWGCOFOSE-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
COc1ccccc1NC(=O)COc1c(Br)cc(C=C(C#N)C#N)cc1OC	2748467	CSYYFLNRTQUHTI-UHFFFAOYSA-N	442.269	3.914	50	40	IHGB	
Cc1cccc(OCCOc2cccc(/C=N/NC(=O)CSc3nnc(C)s3)c2)c1	8861546	LVEINCXUQDABSC-LPYMAVHISA-N	442.566	3.855	50	40	IHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)NC(=O)[C@H]1C#N	9015104	UBBAFFRJHAQSEP-PGRDOPGGSA-N	447.516	3.650	50	40	IHGB	
CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	10233008	OSYMEDXIFDVRBS-VLGSPTGOSA-N	427.291	3.944	50	40	IHGB	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	12816317	PQOVZUIPYFQPNK-INIZCTEOSA-N	428.510	3.995	50	40	IHGB	
CCCCNC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	40161151	YAPSVIYIHJWWTQ-AQTBWJFISA-N	428.510	3.595	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br	59475504	ODKWBAKMJKQBLQ-ZVBGSRNCSA-N	426.698	3.682	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OC	83299107	HSUJGOYTCPMRIK-KOWBDXASSA-N	435.318	3.820	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1Cl	408970207	CPETXCOCOVJKEY-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)cc(OC)c1OC	719878	ZTKJKRCYUUVUKS-JVWAILMASA-N	448.519	3.715	50	40	IHGB	biogenic,in-vitro
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1C	18209552	UWQATIDATJZXRH-DNTJNYDQSA-N	436.262	3.517	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1O	408762637	FJEGHXVGAZZGQL-SRZZPIQSSA-N	446.244	3.923	50	40	IHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccc(F)cc2)o1	409153077	CMEMDWGVEMDFPQ-REMUQMNCSA-N	438.415	3.571	50	40	IHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-]	409158619	PBERXJFCPALTLK-HZZGJGATSA-N	438.415	3.571	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1	409325608	ZZPIZWJREFRQSE-SFHVURJKSA-N	449.532	3.801	50	40	IHGB	
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	5179491	UUJYJBKBCDBZBV-LEWJYISDSA-N	444.959	3.863	50	40	IHGB	
O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)NNC(=O)c1ccco1	9618607	RJDNTSLXOPRUCA-UHFFFAOYSA-N	449.850	3.766	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408776060	LMPVXEQWOZZMCA-CSWGWEJPSA-N	445.519	3.780	50	40	IHGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc2ccccc12)OCc1ccccc1	408987186	DYTCTSBZRGQGCZ-SGYITJBJSA-N	441.491	3.551	50	40	IHGB	
O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	12947764	HSARCBHBGURHQJ-UHFFFAOYSA-N	439.471	3.696	50	40	IHGB	
C[C@@H](/C=N/NC(=O)[C@@]1(C)CC1(Br)Br)Cc1ccc2c(c1)OCO2	19644185	DKMMHMKJHIOTIM-KCYOKNDISA-N	446.139	3.592	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(Br)c1O	35316340	RPXQSUIBFDBVFC-HNNXBMFYSA-N	439.269	3.772	50	40	IHGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1	409016139	USAWCDONIXABRV-QQXSKIMKSA-N	431.492	3.714	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2OC)c1	409079707	LXAHSARFRUWCFV-CVKSISIWSA-N	429.432	3.559	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)o1	409239220	CLZSLGMAMKWIHR-UFFVCSGVSA-N	441.469	3.513	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OC	409330918	BXJPFYGIUWTWHA-NHDPSOOVSA-N	437.290	3.725	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	1444211	VQWBPLOKQJTOLS-MZNJEOGPSA-N	444.535	3.674	50	40	IHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc(C)c(C)c2c1=O	1784091	XSCUXQVXQIOZJI-OPEKNORGSA-N	434.521	3.777	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	4113756	JNWHHGQFBGVEEG-JVWAILMASA-N	435.911	3.728	50	40	IHGB	
CCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9210779	AIOKZCQQQSCRMZ-HSZRJFAPSA-N	431.883	3.545	50	40	IHGB	
COc1cccc(OCc2cc([C@@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)ccc2OC)c1	809438	GLLNYKFPMSJMRN-JOCHJYFZSA-N	446.459	3.763	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	9289499	JJJDVRYGCLJYPP-WGOQTCKBSA-N	434.492	3.984	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OCC	14134800	GRCMLGZIWNUUHZ-VCHYOVAHSA-N	444.294	3.914	50	40	IHGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccncc1	16805005	TUMUKOQZQPSIBY-ONUIUJJFSA-N	443.536	3.665	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764873	VIGSUOKJZNHWMK-ZMOGYAJESA-N	448.903	3.843	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(I)c1OC	408884923	WAFVXQKLCLHOOD-GQNMFNQTSA-N	442.297	3.585	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1	408904471	JZSHODDBJKAZLB-NHDPSOOVSA-N	434.290	3.855	50	40	IHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-]	409158622	PBERXJFCPALTLK-REMUQMNCSA-N	438.415	3.571	50	40	IHGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC(N)=O	409220893	HKTQAHLCNOOEAF-QPEQYQDCSA-N	434.677	3.783	50	40	IHGB	
CC(C)c1ccc(-c2csc(NC(=S)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1	575425733	HVSQAXQBPKMBLX-ZFWWWQNUSA-N	430.020	3.624	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c(OC)c1OC	664736	TVRTXDHICVMGMH-GOSISDBHSA-N	432.480	3.938	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cccc(COC)c3)cc2)cc1	12867087	MRNAOHOLIYKSAT-UHFFFAOYSA-N	434.492	3.886	50	40	IHGB	
CN1c2ccccc2C2=C([C@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558333	WYICNDUMTWEFDF-MRXNPFEDSA-N	433.411	3.661	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	27528011	UJOXBAHEFBSLEG-JJIBRWJFSA-N	437.521	3.674	50	40	IHGB	
O=C(CSCc1cccc(Cl)c1)N/N=C1\C(=O)Nc2ccc(Br)cc21	59473593	DNUPBCAFWLLYFF-UHFFFAOYSA-N	438.734	3.808	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)[C@H]3CCC1	95483307	SEOHQMLECXEJLG-VNEPXBKZSA-N	431.496	3.701	50	40	IHGB	
O=C(N/N=C1\CC/C(=N/O)c2ccccc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	108529558	YHCGTURLHSKVQJ-VSELMVCWSA-N	435.246	3.947	50	40	IHGB	
O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1c2ccccc2cc2ccccc12	408731079	KJCHSVRESKJJLA-FSJBWODESA-N	437.912	3.715	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)O	408797892	UFFFWUKRXZLIEV-AWNIVKPZSA-N	445.815	3.656	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1OC	409315889	WLDHAOZXLLALLG-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCC1	2433954	BURNKRIZQZBUDR-SAPNQHFASA-N	444.491	3.770	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1O	8842955	AEXSWECIYNLYFQ-GZIVZEMBSA-N	431.754	3.674	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC	9328606	TXUVRVKOLJJNCY-FQEVSTJZSA-N	448.479	3.719	50	40	IHGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)cc1OC	13573653	YHKPVGVJQLYARF-YDZHTSKRSA-N	448.317	3.530	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	16292534	ZLKDLUFOPVLMHL-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
COc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1	20214274	RJAJNHJJTXSBMZ-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
Cc1ccc(NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1Cl	32752822	BYIFNTWLEYVIGA-UHFFFAOYSA-N	435.958	3.945	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(OC)c1	408754900	SOAJQBJXYOYDRE-MDWZMJQESA-N	434.233	3.854	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC#N)cc1	408818826	QRZXCBOWNBNRLS-YBEGLDIGSA-N	426.270	3.583	50	40	IHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409212692	RXLPHNXDFOTTKQ-AUWJEWJLSA-N	447.241	3.982	50	40	IHGB	
CN(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	3170907	AMAHXVATQHLCAR-HOTGVXAUSA-N	447.771	3.752	50	40	IHGB	
Cc1cc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N	9031973	KRYUSRKOKWZEJO-UHFFFAOYSA-N	449.923	3.874	50	40	IHGB	
COc1ccccc1N/C=C1\C(=O)N(CCc2c[nH]c3ccccc23)C(=O)C(C#N)=C1C	9423886	IRMPCMHVBXJKMG-HKWRFOASSA-N	426.476	3.924	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1cc([N+](=O)[O-])cs1	13476907	UDIRSHOJNVDYHH-CAOOACKPSA-N	432.683	3.991	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@H]1COc2ccccc2O1	13880636	WTQWFKCPCZHMSR-SKFLCBSZSA-N	427.800	3.798	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1Cl	13940032	ROPARCMASARXNC-UFWORHAWSA-N	442.653	3.548	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(OC)c1	58913602	QMNBSFIKRYYMQH-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)cc1Cl	409052237	GUZFNINYKDLGGR-DNTJNYDQSA-N	425.666	3.638	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N(Cc3ccccc3)Cc3ccccc3)nc12	2205263	LDSUPHMYHUUGRN-PXLXIMEGSA-N	449.514	3.602	50	40	IHGB	
O=C(N/N=C/c1ccccc1I)c1cccc(Br)c1	3098964	SUXQRAKOYBLRMR-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	5179490	UUJYJBKBCDBZBV-SFTDATJTSA-N	444.959	3.863	50	40	IHGB	
COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccc(F)cc1	9453715	CETQPIXJRYXUBO-UHFFFAOYSA-N	431.261	3.754	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)cc2C)cc1	16309505	DDBGBTGAPDEQMJ-OEAKJJBVSA-N	425.510	3.550	50	40	IHGB	
O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21	46085120	AMRIBCAOVSDUOB-VYIQYICTSA-N	449.894	3.665	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	58900621	VWBXCGXWNUBXAG-LPYMAVHISA-N	433.380	3.519	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408609677	LCWVGQOUCRFJQC-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)c1O	975846	KEAIIVUHDBRTDF-FOKLQQMPSA-N	428.286	3.879	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	1087021	PVXYZHWPVVGQKH-ZVBGSRNCSA-N	434.239	3.616	50	40	IHGB	
C[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cl	8757360	VHPIEQQDLDNKQQ-ADNMFJMDSA-N	446.095	3.601	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cn4ccsc4n3)c2C)cc1	12529442	KCCJSOWXMLTMOJ-ZMOGYAJESA-N	449.536	3.673	50	40	IHGB	
O=C(NNC(=O)c1ccccc1Br)c1cc2cc(Br)ccc2[nH]1	24836511	RYVYHXPQVHATSJ-UHFFFAOYSA-N	437.091	3.768	50	40	IHGB	
O=C(NNC(=S)NCCCc1ccccc1)c1cc2cc(Br)ccc2o1	408585018	AMDTWHGZAQWUCB-UHFFFAOYSA-N	432.343	3.937	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1	408692432	MHHRRWGVSQZVQD-MZJWZYIUSA-N	436.487	3.972	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1C	409010650	CYGRBWWAQXQBDK-WMPMWDHYSA-N	439.556	3.680	50	40	IHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1Br	409095472	HOXPROSQPLQBEE-LPYMAVHISA-N	432.318	3.830	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409201592	WPOSFYUWMPOOOX-WBNHJWIASA-N	427.888	3.648	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1O	1086997	RGVQJYZIDNXORU-YDZHTSKRSA-N	446.345	3.526	50	40	IHGB	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)CCCOc1ccc(Cl)cc1Cl	9662554	VCBARYKOOLQRTL-XBXARRHUSA-N	437.279	3.742	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@@H]1COc2ccccc2O1	13617854	WTQWFKCPCZHMSR-QSLAWHRQSA-N	427.800	3.798	50	40	IHGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)c(N2CCCC2)o1	408816275	LBGLMLQFGCDTKY-JMIUGGIZSA-N	426.698	3.825	50	40	IHGB	
COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408868929	QRDUSVYXOVJRRR-LFYBBSHMSA-N	449.204	3.754	50	40	IHGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)cc1	5120235	FSWIROFPUCGLMO-BUVRLJJBSA-N	427.501	3.750	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccccc4Cl)c(=O)c23)C1	6166342	LEMYMIWZJSBEAX-NGDRAAPSSA-N	428.945	3.948	50	40	IHGB	
CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1	100795841	VKINLTZDEYXSSC-UDPFGDFPSA-N	441.281	3.682	50	40	IHGB	
COC(=O)Oc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC	408838255	UAPQYJDUNWARNW-ZVBGSRNCSA-N	427.240	3.676	50	40	IHGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3)nc2n1	1305947	GYZMEFVRAHTCQZ-WYMPLXKRSA-N	434.887	3.737	50	40	IHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccnc1	1478408	IHPOTOYNNBJCTE-DHRITJCHSA-N	449.923	3.677	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NCc3ccccc3)cc2)cc1	2658420	JTCXCGDSCNVDCF-UHFFFAOYSA-N	435.549	3.973	50	40	IHGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1	9318033	GJLVRAMHDWGJHE-AWEZNQCLSA-N	443.297	3.596	50	40	IHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19951610	NSDYDIWWQPJDMI-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(Cl)c(Cl)c1	20064690	GQGHVPHSWNDLLH-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC(=O)O	408800618	QFGJXCMRRQHNAD-WUXMJOGZSA-N	449.232	3.606	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)NCc1cccnc1	408806351	MSIQZAMFCHXGRM-XDHOZWIPSA-N	446.894	3.976	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)NCc1ccccc1	883501	FYASWCZGPATPLD-DEDYPNTBSA-N	438.487	3.774	50	40	IHGB	
Cc1ccccc1NCC(=O)N/N=C/c1c(C)c(C(=O)c2ccncc2)n2ccccc12	3174876	BDDULTUFMACUPN-RWPZCVJISA-N	425.492	3.744	50	40	IHGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	3398869	KDSRXIPKTAXZEX-BHGWPJFGSA-N	444.442	3.966	50	40	IHGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12	9090702	IPSDYTVDOPVPEG-UHFFFAOYSA-N	443.444	3.958	50	40	IHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1C	9262415	JCTWEMCCDMYZEE-XSFVSMFZSA-N	442.519	3.663	50	40	IHGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1ccco1	16712234	MQKAOFWFBDYTDG-JLPGSUDCSA-N	432.509	3.863	50	40	IHGB	
O=C(N[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)c1cccs1	23383052	YCRVSYGNBZMNJN-XOQVKLMPSA-N	437.565	3.583	50	40	IHGB	
O=C(COc1ccc2ccccc2c1)NNS(=O)(=O)c1c(Cl)cccc1Cl	32855688	LTQJJJCGAXPFLS-UHFFFAOYSA-N	425.293	3.535	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)[C@H]2CN(Cc3ccccc3)CC=C12	33887630	RMUJSPHUINJXLA-GHTZIAJQSA-N	442.504	3.582	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl	58912391	RVSYZJXAXDGTCT-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1	96835860	YGLSEICEDKAWTJ-MXAYSNPKSA-N	435.480	3.638	50	40	IHGB	
COC(=O)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(OC)cc2)C3)cc1	198389509	KIMMWAWJCMURBU-WGARJPEWSA-N	429.476	3.766	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	408860265	XMXDZFXKFFQLKN-BTVXTAIASA-N	433.961	3.767	50	40	IHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409187865	VESNNVVFSWSFFJ-NHDPSOOVSA-N	437.437	3.744	50	40	IHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)CC(=O)N2)cc1	409314794	SMJUAUXSJIFWSK-LJQANCHMSA-N	449.532	3.746	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3c(C)nc4ccccn34)cc2)cc1	409002998	XUUHLLVRSUVINJ-CVKSISIWSA-N	441.491	3.733	50	40	IHGB	
CCCCOc1cc(Br)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	409198119	XPKAXCNEKBRBIR-HTRKUNOGSA-N	437.334	3.839	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)c1	409270326	PHTUGDJVBGOFGY-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
CC(=O)Nc1ccccc1OP(=O)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2303506	HCRWJXJROYIMEO-UHFFFAOYSA-N	441.336	3.769	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O	13770953	HMYMMJUDNSWESG-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1Cl	20209374	PAEAUQBJBUQDDC-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@@H]1CCC[C@H](C(F)(F)F)C1	26293126	AYANVVFGOIFSDS-UONOGXRCSA-N	425.407	3.924	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@H](C)c1ccccc1	408709262	YOPBFUCKZDWXIN-CIRUFVMISA-N	444.491	3.764	50	40	IHGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)OCCO1	408875291	IUNGUQFMQHUOST-LPYMAVHISA-N	433.302	3.631	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409245212	PAXVTMPVRSIHDC-QRVIBDJDSA-N	433.277	3.692	50	40	IHGB	
COc1cc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1OC(F)F	2661106	XTQNNETWTAVFQN-VQHVLOKHSA-N	441.390	3.695	50	40	IHGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1	9110710	TXOJVMXCIMVESY-KRWDZBQOSA-N	438.505	3.519	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1	12913227	MFBOQDWLPRLMKW-UHFFFAOYSA-N	443.912	3.524	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	41078023	CVXRDUICIYVFFL-WYMPLXKRSA-N	440.843	3.995	50	40	IHGB	
CC1(C)CC2=NC(SCC(=O)N3CCOCC3)=C(C#N)[C@@H](c3ccco3)C2=C(O)C1	102889785	NOLPPDWVMRVETR-IBGZPJMESA-N	427.526	3.777	50	40	IHGB	
O=C(O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1	409005697	JVRLDEZZZNECOQ-WYMPLXKRSA-N	448.306	3.694	50	40	IHGB	
C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(CSc2nncn2C)cc1	9443038	XQACKLDLNNSXNU-BUVRLJJBSA-N	437.525	3.575	50	40	IHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cc(Br)ccc2F)cc1OC	9666621	CXZJKZMQTKRIPF-XNTDXEJSSA-N	433.277	3.871	50	40	IHGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	10381758	LMXDDLPHNPIDQO-CQSZACIVSA-N	442.884	3.959	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	20209732	DHZMMLNZEQTMQQ-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1cccc2c(Br)cccc12)c1cccs1	32118738	CIHIPOVDTGADKI-UHFFFAOYSA-N	434.340	3.613	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	408542317	KPIAUYUNQQMFIJ-UYRXBGFRSA-N	441.443	3.948	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1	408775977	LMYOMEMZHFPSES-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	408899462	PPLMYZKTRVKHBA-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1OC	409311764	HTVCKWJYWFJZRG-NHDPSOOVSA-N	437.290	3.638	50	40	IHGB	
O=C(C1=C(O)C(=O)N(CCBr)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	9380520	NXOCXMBPJMJXJP-INIZCTEOSA-N	431.242	3.568	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]	409177376	GBBYKYMKFPJEER-UHFFFAOYSA-N	428.378	3.555	50	40	IHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)c(Br)o1	3153309	KNVHBZSMPQNELB-UBKPWBPPSA-N	436.487	3.987	50	40	IHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	9264375	GRYOXEGAZUQEJK-HMMYKYKNSA-N	442.519	3.608	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)ccc1O	12860481	QIBIMKBKMKUCRX-LIMNOBDPSA-N	431.802	3.543	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)c(OC)c1	59505995	RLDKGUCRUVRORN-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1OC	59720827	JKTFLVRVJIEIDI-ZVBGSRNCSA-N	426.698	3.682	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1O	408802294	YBAOTORMTZSUQN-IZZDOVSWSA-N	438.196	3.690	50	40	IHGB	
O=C(NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1ccc2ccccc2c1	16839353	WCDLNIWXSPXHSP-UHFFFAOYSA-N	431.879	3.778	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Cl)c1	408603177	DTWZBBMZTPVFLK-QGZVFWFLSA-N	431.949	3.602	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1	408606042	LCRLOAOTYXORRQ-LJQANCHMSA-N	431.492	3.770	50	40	IHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(CC)CC)c2ccc(C)cc2)cc1	408729580	CLYCTHQFIBENHO-UHFFFAOYSA-N	431.558	3.881	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	408744495	LOVODYWVLKTXSW-GHXNOFRVSA-N	432.230	3.920	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OCC	409383056	UBQQPGJSPBUULN-WSDLNYQXSA-N	426.355	3.619	50	40	IHGB	
Cc1cc(=O)oc2c(/C=N/NC(=O)CSc3nc4ccccc4s3)c(O)ccc12	3150619	CWUYDFJEXQJSSB-ZVBGSRNCSA-N	425.491	3.659	50	40	IHGB	
C/C(=N\OCC(=O)NNC(=O)COc1cc(C)c(Cl)cc1C(C)C)c1cccs1	8400450	HJWJFYXYYQTGMN-ZVHZXABRSA-N	437.949	3.800	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1	16348960	KNKRRJQFVDTDTL-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1	38683176	YYGLYLSQENISFK-JOCHJYFZSA-N	426.428	3.911	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cccc(Br)c1	408589849	NDSXBLXNDVETON-CAOOACKPSA-N	427.052	3.884	50	40	IHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1	1085016	METOZFYHBYNKDP-OAQYLSRUSA-N	435.436	3.737	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1	1243073	HYNPSUWYSMWZDM-WSDLNYQXSA-N	429.933	3.869	50	40	IHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=c1\c(=O)c2cccc3cccc1c32	3232705	FVIWQKSQORRVFQ-WCTVFOPTSA-N	436.467	3.819	50	40	IHGB	
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CCCl)CCCl)cc1Cl	5010676	GNGWKBRASSHJEH-OAHLLOKOSA-N	436.792	3.590	50	40	IHGB	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1	10599441	ADSCIUXOGCOZHA-UHFFFAOYSA-N	444.516	3.653	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1cccc(Cl)c1Cl	58912269	XXHMUZXKRBDUAY-KBKYJPHKSA-N	444.322	3.562	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)NCCc1ccccc1	408797120	BICXKLVQTUAICS-OQKWZONESA-N	431.536	3.780	50	40	IHGB	
COc1cccc(COc2ccc(OC)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	704704	XWWPWCAQIUQPIO-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c(C)[nH]c4ccccc34)s2)c1	3056515	SFYWRNQJAWSMHI-FSJBWODESA-N	432.509	3.581	50	40	IHGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@@H]2C1	6014857	AFBTWOXPZJLSNI-VQIMIIECSA-N	437.450	3.625	50	40	IHGB	
CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C/c3ccc(O)c(OC)c3)ccc21	9763303	ZBZCIZGDAYJTKE-AFUMVMLFSA-N	430.464	3.617	50	40	IHGB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1C	12797549	UQKOACYTYXVJNP-UHFFFAOYSA-N	449.485	3.703	50	40	IHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Cl)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	17299251	UPDMGTICYKMZRT-YFMMTPMMSA-N	432.856	3.656	50	40	IHGB	biogenic
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	33760923	COLQWQOPOKUVBF-LGMDPLHJSA-N	436.423	3.551	50	40	IHGB	
O=C1C(=O)N(c2ccccc2)P(=O)(N(CCCl)CCCl)N1c1ccccc1	66166795	WZRONRZVIDMACC-UHFFFAOYSA-N	426.240	3.954	50	40	IHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc(Br)c(Br)o1	96850738	KNVHBZSMPQNELB-FMQZQXMHSA-N	436.487	3.987	50	40	IHGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408607468	SJMRGMWIGYSREU-FQEVSTJZSA-N	430.537	3.776	50	40	IHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1	408692948	ZAUZABFSPPRVRB-FOKLQQMPSA-N	428.832	3.982	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	408745115	PMSCDOKTKOVQOD-AQTBWJFISA-N	438.480	3.972	50	40	IHGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-]	409223650	JBRARZHUQDRIET-RSGXWQINSA-N	431.404	3.683	50	40	IHGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409226895	WMRCIJQUXDEHLK-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
COc1ccc(O)c(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1	1086855	ANPYNLRJBUZSPJ-YDZHTSKRSA-N	446.345	3.526	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1Cl	19952004	MZOHIWFJZUDFAM-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1ccccc1	20347833	JNXYOESAMGURON-FQEVSTJZSA-N	425.554	3.760	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	105059754	UXLLIBZDCUHUMC-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)NCc1ccc(Cl)cc1	408796040	CSWQFMYWIYONJH-XDHOZWIPSA-N	449.894	3.852	50	40	IHGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc(OC)c1OC	2225838	QQFHPSHJRBWKJQ-KRWDZBQOSA-N	437.521	3.932	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc([N+](=O)[O-])c1O	12468290	KGXGPUUJZRNTFD-XCVCLJGOSA-N	430.218	3.797	50	40	IHGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3nc(C)cc(C)c3C#N)cc2)c1	14920434	KCEINPXKTWXESL-MZJWZYIUSA-N	442.475	3.627	50	40	IHGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1Br	101159069	ZMTABZFMTLVOQX-FSJBWODESA-N	431.290	3.542	50	40	IHGB	
Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1nnc(-c3ccccc3)o1)CCO2	102122257	SJQLSTVDBXPMRC-RCCKNPSSSA-N	427.258	3.724	50	40	IHGB	
CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2OC)c2cc(Br)ccc21	409146045	QAVDMLNWUKZATA-NBVRZTHBSA-N	426.270	3.740	50	40	IHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)cc2c1	409187081	LSTACHPGFFSJPN-RMORIDSASA-N	446.843	3.721	50	40	IHGB	
Cc1c(/C=N/NC(=O)c2ccc(Br)cc2OCc2ccccc2)cnn1C	1073952	AQIBIXLYHHXMMS-SSDVNMTOSA-N	427.302	3.834	50	40	IHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccco1	1478422	VCZXOYRUSFCILA-FSJBWODESA-N	438.896	3.875	50	40	IHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(Cl)cc3)c2)cc1	6250933	MWXKJHFQENSLFE-OEAKJJBVSA-N	443.912	3.913	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	8449297	UMCYFTQPHQBNGS-QEJMNLJLSA-N	427.136	3.586	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nc2ccccc2n1CC(C)C	9127521	GZHCZPXICMSQKZ-UHFFFAOYSA-N	446.960	3.908	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1	28218141	IYXSHBBNXRLENG-WGOQTCKBSA-N	426.476	3.607	50	40	IHGB	
CCOCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408708415	PWGHOXYVEOGVKB-ZMOGYAJESA-N	437.327	3.730	50	40	IHGB	
Cc1ccc(CN(Cc2ccc(/C=C(/C#N)C(N)=O)o2)S(=O)(=O)c2ccc(C)cc2)cc1	408823417	FGDSMVFKYCUPDX-MOSHPQCFSA-N	449.532	3.680	50	40	IHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	409310376	AWXABKRUBQBCCJ-SFHVURJKSA-N	449.532	3.746	50	40	IHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)CSCc1ccccc1	409360616	QNQLETLWEMGFAH-JXMROGBWSA-N	432.361	3.846	50	40	IHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccncc1	1479202	KWIXOEGCYAORIQ-DHRITJCHSA-N	449.927	3.620	50	40	IHGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	10381756	LMXDDLPHNPIDQO-AWEZNQCLSA-N	442.884	3.959	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)[C@@H]2CN(Cc3ccccc3)CC=C12	8836316	RMUJSPHUINJXLA-WIYYLYMNSA-N	442.504	3.582	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	20168845	YZXGYEJXFGQNDE-WGOQTCKBSA-N	445.475	3.531	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1cccs1	409185558	MLHMMYFHOFQZLT-OQKWZONESA-N	427.551	3.792	50	40	IHGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)C(=O)c1c[nH]c2ccccc12	73048508	HQSZFBZWHLZCCR-MXAYSNPKSA-N	431.323	3.785	50	40	IHGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCOCC1	1102885	NYWNJMOJIFNKIQ-LDADJPATSA-N	427.298	3.794	50	40	IHGB	
COc1cc(CCC(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc(OC)c1OC	12698015	WENGACNDNJNNLT-UHFFFAOYSA-N	446.569	3.827	50	40	IHGB	
Cc1cc[n+]([C@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1	34909978	ZDYZSORIDLCNKZ-DYXWJJEUSA-O	443.390	3.737	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(Br)cc1	985162	UQLLNIPPAQTQIP-INIZCTEOSA-N	437.253	3.786	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])o3)c2)cc1C	1431174	CNORYZNQBXFJJB-FSJBWODESA-N	437.408	3.553	50	40	IHGB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(Br)cc1O	20103611	OGCFJBRXTMMEET-SSDVNMTOSA-N	427.302	3.780	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408612203	XWWCSNALGQSEEC-YSURURNPSA-N	440.714	3.978	50	40	IHGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	408665028	ZHACQUVBXHXYON-KSSFIOAISA-N	448.834	3.510	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@@H]13)[C@H]2Br	408685618	LWJOPMARZZQWPC-KSCVBYKOSA-N	428.282	3.988	50	40	IHGB	
CC(C)c1ccc(-c2csc(NC(=S)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1	575425732	HVSQAXQBPKMBLX-UKRRQHHQSA-N	430.020	3.624	50	40	IHGB	
CCOc1ccc2cc(/C(=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C(C)=O)c(Cl)nc2c1	855970	BSDPFOVFJUYXNT-LYBHJNIJSA-N	440.843	3.918	50	40	IHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	3154650	WPGQJRDPDMMLHE-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	6356156	MHVAXWPQJOLDHT-JJIBRWJFSA-N	427.570	3.723	50	40	IHGB	
Cc1ccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1C	9381847	QFNVNDDRSYXXBW-UHFFFAOYSA-N	444.582	3.845	50	40	IHGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1	15226952	BLKBRMSGGKYYDU-SILNSSARSA-N	427.460	3.901	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)ccc1O	27570710	VEVYYXJMYDNKRX-AFUMVMLFSA-N	448.548	3.979	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O	31783591	ZTUCIZAPSNPTIK-ZRGSRPPYSA-N	446.532	3.982	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	408607070	BOTOMLQJHYZOME-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1OC	408887366	QCCBDWMXCOQOCJ-UKTHLTGXSA-N	434.233	3.854	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)cc1Cl	408972282	QTGALFHYBRZZBA-JFLMPSFJSA-N	436.943	3.865	50	40	IHGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1	985180	ULKJVUMSUVHSRW-LJQANCHMSA-N	432.480	3.883	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1O	987170	IODWZGSTTUMJDX-ZDUSSCGKSA-N	445.298	3.833	50	40	IHGB	
COc1ccccc1OCCn1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	6177715	QXBXPSWFUJKRPH-QHCPKHFHSA-N	441.491	3.979	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	20240354	XAVXPYZQYUXRBQ-ZXVVBBHZSA-N	428.536	3.781	50	40	IHGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	59104952	KPRXZNPDMJHABK-XSFVSMFZSA-N	442.519	3.663	50	40	IHGB	
N#CC1=C(SC[C@H](Br)CBr)NC(=O)[C@H](C#N)C12CCCCC2	102413752	WBACGTZMEVDTEY-MNOVXSKESA-N	447.196	3.833	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1O	408795586	CKNUHFBAYJVRDG-MYJSTESFSA-N	440.281	3.607	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1C	408837672	KZDJGYXOOGJJJC-AQTBWJFISA-N	442.475	3.697	50	40	IHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502639	PARWIKPWCCVERE-SFHVURJKSA-N	429.270	3.946	50	40	IHGB	
CCOC(=O)c1c(/C=N/NC(=O)c2cn3ccccc3n2)c(C)n(-c2ccccc2)c1C	6016457	AWTZPVJAYSECSS-AFUMVMLFSA-N	429.480	3.682	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cn3cccn3)cc2)c(C)n1C[C@H]1CCCO1	8776775	HHFKAWHPAPFCKA-TZPPZLRXSA-N	443.551	3.752	50	40	IHGB	
O=C(CBr)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1	12958138	CEMLCGOHMCRJSX-UHFFFAOYSA-N	432.679	3.800	50	40	IHGB	
O=C(N/N=C/C=C\c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1	13382100	RSJAEYBOEFECIE-VCTVOLJISA-N	429.432	3.595	50	40	IHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408708298	OYANTKYMLQTXTN-FOKLQQMPSA-N	435.297	3.554	50	40	IHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C	408970241	DGWQBOALBBKSPN-KTCKORJGSA-N	445.947	3.717	50	40	IHGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)CSc1nc2ccccc2s1	409100738	RXQPMXXBLIXPBM-XKZIYDEJSA-N	426.567	3.684	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(N)=O	409218951	LWBQWNGWMPODRK-LZYBPNLTSA-N	427.888	3.765	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)ccc1O	1474339	PLHTXSOYJHPOLM-YDZHTSKRSA-N	439.541	3.620	50	40	IHGB	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl	5179492	UUJYJBKBCDBZBV-RTWAWAEBSA-N	444.959	3.863	50	40	IHGB	
C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CCCc1nc2ccccc2s1	10673021	DPLHARVSRPGBQJ-CYBMUJFWSA-N	439.566	3.877	50	40	IHGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccco2)cc1	20060210	PBGKDMAIEGYLDV-LPYMAVHISA-N	431.901	3.663	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	107681481	MRQHDJDQFQRVIB-UCQKPKSFSA-N	434.408	3.775	50	40	IHGB	
C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NNC(=O)c4ccco4)c23)C1	12639671	SQRGAVGSCVUHFE-NSHDSACASA-N	442.566	3.840	50	40	IHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NC(=O)NC12CC3CC(CC(C3)C1)C2	17150122	UQHXULGRQZINGJ-HMAPJEAMSA-N	444.535	3.547	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccccc1O	33661718	YOAHJVYESKJTPT-NHFJDJAPSA-N	428.536	3.868	50	40	IHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1ccccc1C	408531001	KADBMJDQFAXZEI-BOPFTXTBSA-N	441.329	3.915	50	40	IHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408609599	KIRINAIXPDALET-JFLMPSFJSA-N	435.911	3.994	50	40	IHGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C2=C1CCCC2=O	409131753	XYENVSCJTQVNEH-JOCHJYFZSA-N	430.464	3.904	50	40	IHGB	
CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC	409370772	BBTZQMUXXFXOPE-XMHGGMMESA-N	449.507	3.641	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])s2)[C@H]2CN(Cc3ccccc3)CC=C12	19597225	RMUJSPHUINJXLA-RXVVDRJESA-N	442.504	3.582	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235319	YWQAECWRWTZPKT-YXNRUMOYSA-N	427.460	3.645	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OS(=O)(=O)c1ccccc1	408898195	VOCQMYNEODMWFV-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1	408994014	FDEHYDKQGDPZDM-ZMOGYAJESA-N	427.570	3.672	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC	985172	LQKOJKKQTMCQNG-QGZVFWFLSA-N	438.871	3.974	50	40	IHGB	
COc1ccc([C@H]2C[C@@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1	1382258	QVAXYZOIXRDYQC-CVEARBPZSA-N	444.841	3.607	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccncc1	3214210	OCPYBZGBRIAQOE-JFLMPSFJSA-N	435.443	3.805	50	40	IHGB	
Cc1cc(CSc2ncccc2C(=O)NNC(=O)c2ccccc2Br)no1	29484398	NTZFWTFOHRGVHT-UHFFFAOYSA-N	447.314	3.508	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59920782	BGAFHLUTELTHPD-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(Br)c2)c(OC)c1	100035426	RNWGWDIPMKBWAL-WSDLNYQXSA-N	434.290	3.601	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCC(=O)O	408798576	VZGDMKIZVJACJZ-RIYZIHGNSA-N	445.269	3.857	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1	409007683	QGUWXVUFVPCPKT-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	409236908	HZKGTERGYWBFLD-AYCSXLNKSA-N	443.297	3.785	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1OC	9305670	MTNICINLESPNPD-WMJRALALSA-N	427.284	3.937	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nnc1-c1ccc(Cl)cc1	12467703	SARRGYBLVIMXSZ-SSDVNMTOSA-N	443.916	3.559	50	40	IHGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1OC[C@@H]1CCCO1	12932881	RZLWFJGEBCKRKI-FQEVSTJZSA-N	446.503	3.751	50	40	IHGB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCCBr)C2=O)cc1	26593457	MGINZJJKKWEQLK-VBKFSLOCSA-N	445.269	3.976	50	40	IHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C	58913863	WMSVVNZJPYOHJT-ZMOGYAJESA-N	433.468	3.708	50	40	IHGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N	408607740	UPHUSQGKFFDGCC-HNNXBMFYSA-N	433.331	3.786	50	40	IHGB	
Cc1nnc(NC(=O)CCCC(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)s1	408690771	WPXLEIMRLHALJI-AWEZNQCLSA-N	427.885	3.518	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1	408923833	HAYUMLLVKHVCDR-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)cc1	1095493	LAYLHBVEDJSLMH-VULFUBBASA-N	433.430	3.717	50	40	IHGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(N)(=O)=O)cc3)n2)cc1	2279601	PLUMPKSOUDLJAT-NTCAYCPXSA-N	426.523	3.833	50	40	IHGB	
CCOc1ccc(NC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1	2795347	BTMGURGEZAOXLC-UHFFFAOYSA-N	431.411	3.953	50	40	IHGB	
CCOC(=O)Cc1n[nH]c2c1[C@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2	4010294	GSTDRKOCXKCBBS-HXUWFJFHSA-N	434.427	3.665	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	9597074	ZZTHHDHFEARAKW-UHFFFAOYSA-N	435.436	3.647	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)ccc1O	16196005	MIAQIPIARJWFRW-SSDVNMTOSA-N	433.302	3.571	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)ccc1OCc1cccnc1	31893653	BPZLIKLYRHVDTH-UHFFFAOYSA-N	437.521	3.684	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1C	409256575	MCQYZKCAWAUBBZ-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c1	9136681	FSILRUGNBKHKCS-UHFFFAOYSA-N	432.318	3.554	50	40	IHGB	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(COc2cccc3cccnc23)cc1	9635008	SWROCXCSXXFRGP-UHFFFAOYSA-N	442.431	3.797	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccccc2)cc1	9720857	VINIASWQZKIVDK-OEAKJJBVSA-N	434.408	3.775	50	40	IHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	12919912	FEXULXZMIWNUMZ-UHFFFAOYSA-N	445.522	3.872	50	40	IHGB	
CCOc1cc(C(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc(OCC)c1OCC	18176464	YZIPBBLTGYZJFH-NJNXFGOHSA-N	439.512	3.772	50	40	IHGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1C	408603229	FFDHZJPUGJFDKR-PRWBYUBPSA-N	430.508	3.918	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1OCc1ccc(C(=O)O)cc1	409183423	CKIJBXVLSUREQU-CVKSISIWSA-N	447.491	3.802	50	40	IHGB	
O=C(NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)C1c2ccccc2Oc2ccccc21	16001227	KBNGMLLFORJNMB-RTBURBONSA-N	443.528	3.750	50	40	IHGB	
Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1C	408707383	JSWUZAROZNAKIC-SSDVNMTOSA-N	431.334	3.784	50	40	IHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(Br)c1	409108425	TVPJEZXWJSAZRJ-LPYMAVHISA-N	432.318	3.830	50	40	IHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Br)cc2)CC1	4482444	ZCYFEIIGDINDBQ-FSJBWODESA-N	444.329	3.540	50	40	IHGB	
COC(=O)C1=C(C)NC(SCc2cccnc2)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	20623784	HTSOHOWYTNAQPP-NRFANRHFSA-N	437.521	3.901	50	40	IHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1C	24836439	HZNATTMCYXZKTI-OAHLLOKOSA-N	443.500	3.707	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	30814095	KOAJVHYFZCPHEJ-KSEXSDGBSA-N	426.816	3.965	50	40	IHGB	
CCOc1c(Br)cc(/C=N\NC(=O)COc2cccc(CC)c2)cc1OC	32703881	SLMIDORPARNVIR-UUYOSTAYSA-N	435.318	3.948	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)ccc1I	59104478	RLMPLZJSCWXAHX-FYJGNVAPSA-N	449.292	3.664	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1C#N	59503531	KKVZVYQGUSDJOD-MZJWZYIUSA-N	444.491	3.516	50	40	IHGB	
NNC(=O)c1cc(Br)cc(Br)c1-c1cc2ccccc2oc1=O	226357559	HREPZIMJNIPZMR-UHFFFAOYSA-N	438.075	3.589	50	40	IHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl	408708952	VQYRUZVZWPGCCV-LHSRNITLSA-N	449.338	3.791	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408718738	DCHXTABAHUWTFN-MFKUBSTISA-N	449.463	3.884	50	40	IHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1ccc(I)cc1	409237852	JEDBZEDBBMNDEK-XKZIYDEJSA-N	447.251	3.914	50	40	IHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	2163688	JYEORTUPOMISHI-KRWDZBQOSA-N	431.286	3.837	50	40	IHGB	
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl	8691139	DXTICHFFNOYPMZ-UFWORHAWSA-N	434.667	3.631	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC	9043673	DCWQDKZCNJSKEB-IVZQSRNASA-N	447.447	3.820	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1	9129475	UDDXCHQGKSCRTH-UHFFFAOYSA-N	446.463	3.572	50	40	IHGB	
Cc1cc(SCC(=O)NNC(=S)NCc2ccccc2)c(C)cc1Br	12624649	CSWFZIHZNFGPFJ-UHFFFAOYSA-N	438.416	3.854	50	40	IHGB	
Cc1ccc2occ(/C=N/NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c(=O)c2c1	16001322	YYDYLVSDJWSUNS-RAQUAXEKSA-N	449.507	3.688	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1	408748505	DFKVUQGLKSGTFX-BUVRLJJBSA-N	438.505	3.844	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(F)c2)C2CCCCC2)cc1	409111211	BMMQMORVUPCYKL-BUVRLJJBSA-N	431.533	3.608	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cccc(F)c3)cc2)cc1	409131333	IHFOKKTTXAQUNL-BUVRLJJBSA-N	425.485	3.723	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)ccc1OC	409306356	ZPDDNPNLFOLZAS-NHDPSOOVSA-N	437.290	3.725	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2O)c1C	409390389	CUTDCGZROFFJNX-AFUMVMLFSA-N	435.480	3.749	50	40	IHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1	20345269	AYGHPBVVKLXNNV-UHFFFAOYSA-N	432.343	3.772	50	40	IHGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccncc1	409195535	WFCQYFJJSCHOMP-YDZHTSKRSA-N	445.464	3.690	50	40	IHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409358220	KSQOJODZFRTXDX-FOKLQQMPSA-N	442.269	3.970	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1O	678269	QFWCSSMVIALUCD-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1	2309962	ACTDAZOMNPXIRI-KRWDZBQOSA-N	435.505	3.688	50	40	IHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567647	SOCRQLNBESOASM-MUUNZHRXSA-N	448.526	3.761	50	40	IHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	15018808	RKCSFPMPBKNYPF-WYMPLXKRSA-N	434.839	3.867	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	16291544	HWVQFTYZNIUBEV-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
C/C(=N/NC(=O)CCCC(=O)O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O	16890248	CFLPDLZFUOOSIG-MXAYSNPKSA-N	425.872	3.944	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	28213782	HPYJXCMYJUDSBN-FOKLQQMPSA-N	433.961	3.627	50	40	IHGB	
O=C(N/N=C/c1cccc(I)c1)c1ccccc1Br	33730604	XMZVCIUCZFGODI-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCCOc2ccccc2)c2ccccc21	103041242	TUVFONOTDYLAMQ-AZPGRJICSA-N	443.503	3.710	50	40	IHGB	
C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226393784	UNNNFTAAKHFUGN-DKERCQQQSA-N	427.136	3.526	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21	408528201	HCLDLBQARPWUHR-LUOAPIJWSA-N	446.429	3.785	50	40	IHGB	
N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	8442722	NDMZETRGSUKXQI-OAQYLSRUSA-N	430.420	3.628	50	40	IHGB	
C=CCc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(N)=O)c(OC)c1	12285274	GFHDWTAIBCVVHY-YDZHTSKRSA-N	448.317	3.646	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	19948242	JYWKNYPTIBHHJS-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CCOC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCl	35945826	QPEBIYOSEBCKQI-LJQANCHMSA-N	439.737	3.869	50	40	IHGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	100539740	UINOFCFQLOYKAQ-BCFCROPCSA-N	433.527	3.622	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1	409025141	MHMANJURNBJCBW-HZHRSRAPSA-N	427.913	3.686	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409255008	KEEFZDLDPHJIIW-DXRSZSRVSA-N	444.329	3.741	50	40	IHGB	
COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)c1OC	729028	HHWYPJRMXYKIGZ-MRXNPFEDSA-N	437.521	3.723	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1OC	2439799	NPNMUMKIGWXFEF-QFIPXVFZSA-N	447.466	3.580	50	40	IHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915808	HYUCQEUMXRNCQN-KOUDTOEKSA-N	448.932	3.716	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(I)cc1	59334916	MXKVQQKXBCNVIP-WJDWOHSUSA-N	432.261	3.865	50	40	IHGB	
CC(C)(C)c1noc(CCCC(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)n1	71843967	JKRZGVIAYBQQGA-UHFFFAOYSA-N	445.372	3.936	50	40	IHGB	
C[C@@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2)C1	78877937	LATRDSWQIQDIAC-JOCHJYFZSA-N	445.972	3.522	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC(=O)O	408804373	FBMGKNVRLMQGQL-RIYZIHGNSA-N	430.844	3.756	50	40	IHGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cc2c(s1)CCCC2	9544421	XUDBBHGNTUZPML-UHFFFAOYSA-N	448.957	3.884	50	40	IHGB	
CCn1cc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1	58231111	PVUKBWQGVRWTQY-UHFFFAOYSA-N	442.313	3.778	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(Br)c2)cc1	408744394	KYYXSXSOTBWQGT-ZROIWOOFSA-N	445.269	3.857	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1	408757086	WOWOWLCFZNGINI-SAPNQHFASA-N	449.444	3.908	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)cc2)cc1	408789648	QOVWJAOJOHZWNB-FYJGNVAPSA-N	426.476	3.631	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408963992	FBLWUZMOCNDHRR-AWQFTUOYSA-N	448.229	3.885	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2258047	FBKPWGLVLSABDX-HXUWFJFHSA-N	426.948	3.760	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@H](C)Nc2cccc(Cl)c2)c1O	2747655	WFEJCKCEPPHMEA-YPZZKDGISA-N	426.698	3.767	50	40	IHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-]	9355302	QKRQUKBQVYEHKE-KEBDBYFISA-N	436.262	3.594	50	40	IHGB	
CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	9358098	VOWOOHLEXSGDST-XMMPIXPASA-N	445.910	3.935	50	40	IHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1	16362825	JMRLXRIJJYIYLW-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1c(Cl)cccc1Cl	23255765	HGGKIWVNRNLRGI-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccc(F)cc1	408610386	TXTIDXPUAYLLQT-SFHVURJKSA-N	449.482	3.910	50	40	IHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCC)c(OC)c2)cc1	408712087	ZAQXQBVSVATXQV-XKZIYDEJSA-N	435.318	3.948	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br	408762744	LCSFMHBMDPGKIO-DJKKODMXSA-N	440.091	3.901	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC(=O)O	408793483	FBBYJLJPEHAUIB-VGOFMYFVSA-N	445.269	3.775	50	40	IHGB	
CN(C)c1oc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1Br	408856483	QFJKPQSARKBVJK-GXHLCREISA-N	435.105	3.944	50	40	IHGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408867605	LWCSHHWNNPQERU-NTUHNPAUSA-N	434.233	3.941	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1O	408974280	YIWXMWMTHQXHGJ-NUGSKGIGSA-N	429.782	3.552	50	40	IHGB	
CCCOc1c(I)cc(/C=N/NC(=O)c2ccco2)cc1OCC	409064887	QQDKBZVATJQPCM-YBFXNURJSA-N	442.253	3.836	50	40	IHGB	
C[C@@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	9062457	KJGVJOBGKWSBCE-SNVBAGLBSA-N	431.861	3.931	50	40	IHGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(N)=O)NC(C)=C2C(=O)Nc2ccccc2)cc1	20172042	GCEJENBADSYUHG-QFIPXVFZSA-N	448.548	3.638	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)cc1	32109568	FKSAGTYOWRECOZ-VROXFSQNSA-N	430.823	3.843	50	40	IHGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(Oc2cccc(Br)c2)nc1	32928292	CUJZYOAOOVXVJV-UHFFFAOYSA-N	426.270	3.640	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1	59101523	LLVARTIHDOAJRT-CVKSISIWSA-N	431.492	3.980	50	40	IHGB	
CCOc1cc(/C=N/NC(C)=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	409018556	HRHCCYGHKPRPQP-SSDVNMTOSA-N	448.317	3.644	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)c1nn(-c2ccc(C)c(Cl)c2)c(=O)c(C#N)c1C	409067070	JBNAVJJXEZYBSG-ZMFRSBBQSA-N	449.898	3.537	50	40	IHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1	9980618	KHZATSVBWIVBCE-UHFFFAOYSA-N	447.495	3.627	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1COc1cccc2cccnc12	13322442	FHUULFYOROEPBT-MZJWZYIUSA-N	443.459	3.998	50	40	IHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567648	SOCRQLNBESOASM-NDEPHWFRSA-N	448.526	3.761	50	40	IHGB	
O=C(N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12)C(O)(c1ccccc1)c1ccccc1	16157662	FXTKOBJHOJYJHK-WGOQTCKBSA-N	441.443	3.840	50	40	IHGB	
N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408744511	YIDUMRAWZFVEDM-UVTDQMKNSA-N	429.217	3.739	50	40	IHGB	
CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	1241323	PGPXSDUHGKWMSG-JOCHJYFZSA-N	444.516	3.986	50	40	IHGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)o1	2134296	SNQGRGWAQJGTER-UHFFFAOYSA-N	449.088	3.529	50	40	IHGB	
NC(=O)c1cccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	12868246	JZBAPFQOCKBFDL-UHFFFAOYSA-N	439.924	3.806	50	40	IHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	14361283	HHPVXNLLUSSHHC-BLHGMKRPSA-N	438.484	3.527	50	40	IHGB	
C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)COc1ccc(Br)c(C)c1	14921903	OVFWEXQGWYHMMS-HZHRSRAPSA-N	432.318	3.966	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(Br)c1O	30833223	AAEVNXMFSXDVCQ-UKWGHVSLSA-N	427.682	3.736	50	40	IHGB	
O=C(N/N=C\c1cccc(O)c1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408732061	OSGUMMDVXQKEFY-ZMFRSBBQSA-N	444.516	3.796	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1O	408779682	HNZRELWWSZWFJF-WDZFZDKYSA-N	438.196	3.690	50	40	IHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408904310	HSYWEBLGEDEIDB-OCKHKDLRSA-N	437.250	3.839	50	40	IHGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OC)cc2Cl)C2=C1CC(C)(C)CC2=O	409123731	IIGCLDXNCXCOKO-FQEVSTJZSA-N	445.947	3.740	50	40	IHGB	
O=C(N/N=C/c1cccc(I)c1)c1cccc(Br)c1	823306	YDZYPJMJVZHJPZ-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4c(O)ccc5ccccc45)c(=O)c23)C1	2887925	RSPXJTAOYNNABT-JWHVREMKSA-N	446.532	3.592	50	40	IHGB	
COc1c(Br)cc(/C=N/NC(=O)Cc2ccccc2)cc1Br	3151270	JFRHGFAEQCRWDZ-VXLYETTFSA-N	426.108	3.913	50	40	IHGB	
Cc1cc(SCC(=O)NNC(=S)NC2CCCCC2)c(C)cc1Br	3257011	GUNOCNHSGMKCQH-UHFFFAOYSA-N	430.437	3.986	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2cccn2-c2ccccc2)ccc1I	4083210	PQOUZKZFKJIZAK-FYJGNVAPSA-N	445.260	3.854	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	9290569	CJILFUIOLQDPLI-GOSISDBHSA-N	433.424	3.610	50	40	IHGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	12691121	AIFXVMWQJZNMEF-MRXNPFEDSA-N	438.915	3.772	50	40	IHGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914609	LIWVUURIJYIAGA-JJFYIABZSA-N	426.816	3.905	50	40	IHGB	
CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)/C(C#N)=C(/C)N	104401208	SIDIOQYGFAPQNP-NXVVXOECSA-N	431.537	3.994	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)O	408551202	MJODQCVGMARCLS-RIYZIHGNSA-N	437.477	3.516	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408813345	QEDYDXDLTYQDNM-RCCKNPSSSA-N	441.487	3.936	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1	408867043	HZGRQXPQCXDOLO-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1OC	83314368	KDOROIAWEMQJOA-FBHDLOMBSA-N	433.258	3.985	50	40	IHGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)CCc1ccccc1	408526649	BXLCSGPEWNHPRI-AQTBWJFISA-N	441.329	3.618	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)cc1	409179955	QWQWBPHKMKAXGI-YDZHTSKRSA-N	437.408	3.804	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)COc2cccc(CC)c2)cc1OC	959693	SLMIDORPARNVIR-WSDLNYQXSA-N	435.318	3.948	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1	2337954	NKOLHGXTFTZRIZ-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	aggregator
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN(C)c3ccccc3)c2)cc1	10737842	CAIALZBIDHUJDX-UHFFFAOYSA-N	425.510	3.667	50	40	IHGB	
COc1ccc(CC(=O)NNC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1	15497518	ZDCJBWZGALOUTD-UHFFFAOYSA-N	434.920	3.786	50	40	IHGB	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccco3)cc2)S(C)(=O)=O)cc1C	20059256	HTXPAWAAJSJAOJ-OEAKJJBVSA-N	425.510	3.627	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	20212974	PLDPCSMQAXIJED-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(I)c2)cc1	408949292	ANGQYRFKLFWPLM-FYJGNVAPSA-N	445.260	3.854	50	40	IHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c(F)c1	408966405	LKQVLHGIFAYFAL-UVHMKAGCSA-N	434.402	3.618	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)cc1OC	409315750	ONSOBRKHFSVAAU-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)c1cccc(I)c1	12464002	KGDJLTAHVMEHQI-KOUDTOEKSA-N	449.292	3.664	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1	20059689	HFAJLPVEPJFEFG-HKOYGPOVSA-N	437.521	3.785	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	58925043	PNBQTTCJWJAIBZ-XQNSMLJCSA-N	435.977	3.966	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)c1	59459339	DGWCQJGWXQKJIJ-FSJBWODESA-N	447.329	3.874	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1	1389896	PXXBROVSCOXZDO-CVKSISIWSA-N	426.476	3.775	50	40	IHGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1	8874037	RGECALWIMWWBDG-UHFFFAOYSA-N	439.899	3.747	50	40	IHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1O	10060146	HUOLLJIAOBFGAJ-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1OC	28217965	IJFGSHIHXKPOGD-WSDLNYQXSA-N	449.301	3.560	50	40	IHGB	
Cc1noc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCC3)n1	32909631	ZCOUIVSIBYGGOA-UHFFFAOYSA-N	428.539	3.685	50	40	IHGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1	408612719	YLBMMMCPXVOGKD-GOSISDBHSA-N	449.482	3.910	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	408764524	JBZTVXPZYPJSBR-VCOZGABYSA-N	429.586	3.962	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1	409024961	OGYTWCOFLKOWOE-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1	409161439	XGHSALUOSLBSMA-LBRHQESJSA-N	443.503	3.777	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)c(OC)c1	409260940	YURMNTMZNQIQOY-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(OC)cc3)c3ccccc32)o1	409389487	BJJYUQQRYOEGNH-DHRITJCHSA-N	431.448	3.842	50	40	IHGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1Br	1231694	WJWXGWRHLHHDFW-LJQANCHMSA-N	430.302	3.750	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c1	9203656	UOLGERYPZVQSEW-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	409385725	JUWBOYQVILZVPR-SSDVNMTOSA-N	449.305	3.990	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	2438690	IUTQMFQUGUWGFQ-SJKOYZFVSA-N	432.307	3.861	50	40	IHGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)o2)ccc1Cl	14134683	FLRXNZSHDYLCID-FINLKQIMSA-N	426.856	3.960	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	27168951	SWGMCCINQRTTEI-HZVRNWRTSA-N	426.520	3.982	50	40	IHGB	
CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	825456	WTBKWVQAEMEJCC-UHFFFAOYSA-N	430.372	3.817	50	40	IHGB	
O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)c1ccco1	2235429	HILNERRSCSAHLJ-UFWORHAWSA-N	440.706	3.731	50	40	IHGB	
COc1ccc(CNC(=S)NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC	2571253	NEFBSMBTOKAHDH-LBPRGKRZSA-N	439.990	3.533	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccn1	8919450	PEJVGUCMYBIYNH-LKUDQCMESA-N	449.308	3.568	50	40	IHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)c1	9846959	ALKGJKRFXXDIIT-ZMOGYAJESA-N	433.468	3.708	50	40	IHGB	
COc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(Br)c1OC(C)=O	32577826	GDADFISMNBCXTD-NVNXTCNLSA-N	436.283	3.721	50	40	IHGB	
N#C/C(=C/c1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1)C(=O)Nc1nccs1	97993340	OLVLTVJSIOAVDL-CKOAPEAFSA-N	432.490	3.691	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1	107652801	ASSUTNCNOWPAKD-NBVRZTHBSA-N	443.459	3.964	50	40	IHGB	
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408685620	LWJOPMARZZQWPC-UPGMHYFXSA-N	428.282	3.988	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1	408743799	BSOQIHDOTKXRRO-GHXNOFRVSA-N	432.230	3.920	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1	1192793	UTEUZEPMIVKJHH-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(I)c1	1429037	LQPOVKWXYQEUJM-GIJQJNRQSA-N	437.262	3.675	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(N)=O)cc1	2888256	YSQNYSICXMNQAO-IMGOXIFKSA-N	442.338	3.669	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1	3248468	PLTOIZVITGKATQ-GOSISDBHSA-N	425.485	3.935	50	40	IHGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	8440840	AUEUYHAHYNNBKU-ZROIWOOFSA-N	428.857	3.501	50	40	IHGB	
CCCn1nc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2c1=O	16097364	TYGBKYZBACBCNB-UHFFFAOYSA-N	426.476	3.548	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OC	59427834	NVXDKAVJLBWSGP-CVKSISIWSA-N	429.476	3.712	50	40	IHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Cl)cc1	245380212	UINOFCFQLOYKAQ-HKLHZYFVSA-N	433.527	3.622	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Br)cc1	408605047	KJLZRYRYGUTPCX-MRXNPFEDSA-N	446.374	3.702	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408706549	BGDLFPUMPITXFW-LVCXCXRVSA-N	431.334	3.866	50	40	IHGB	
CC(C)n1cc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)c2ccccc21	409174271	UTUGVCVZTUZEKV-OPEKNORGSA-N	426.904	3.521	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC	409366442	VAXWGHWCZKLMJM-MYYYXRDXSA-N	449.463	3.884	50	40	IHGB	
CCc1ccc([C@@H]2C(C#N)=C(N)OC(CSc3nc(C)ccc3C#N)=C2C(=O)OC)cc1	663660	NUGHXOFAMQCYGQ-HXUWFJFHSA-N	446.532	3.851	50	40	IHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC	13344924	MJJWZJBIWXCTSE-NTUHNPAUSA-N	431.242	3.710	50	40	IHGB	
C/C=C/c1cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc(OC)c1OC	14247127	NIWLEQZAVZDWKA-XBXARRHUSA-N	436.464	3.984	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(F)cc2)cc1	20232067	UUMMQRHSROWTSU-YDZHTSKRSA-N	445.541	3.850	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)cc1	59254973	UYAQYYQVIUTZFU-OVCLIPMQSA-N	431.286	3.698	50	40	IHGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O	62772221	SBLCIFMZTFIOPM-YJHPWPPHSA-N	447.922	3.616	50	40	IHGB	
COc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1I	95611994	WMSNYCWBIHPCOB-UHFFFAOYSA-N	434.213	3.939	50	40	IHGB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1OC	408608170	VHEZRMZHVHRPGG-IBGZPJMESA-N	447.520	3.727	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408611766	SDKJXIGZTAZDOM-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)cc2Br)cc1	408794125	HYHSIRJRMZUQAD-RIYZIHGNSA-N	445.269	3.886	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1	408817386	XQWBXZAIBNLPNV-XKZIYDEJSA-N	428.286	3.778	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1C	408906243	DIEUTHGXMVSEBK-LSHDLFTRSA-N	442.368	3.835	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2cccn2-c2cccc(Br)c2)cc1	409008732	CVWHBOBTJDIRAH-XKZIYDEJSA-N	428.286	3.778	50	40	IHGB	
Cc1ccc(C[C@@H](Cl)CNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	825922	ASWTUBFJPBASEZ-GOSISDBHSA-N	428.989	3.929	50	40	IHGB	
CCOC(=O)c1csc(N(NC(=O)Nc2ccccc2)C(=O)NC2CCCCC2)n1	16956807	QJYYZXVPLOAMJL-UHFFFAOYSA-N	431.518	3.905	50	40	IHGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	101748914	HIWLMJNAUKQMPE-VBHHZLGVSA-N	439.269	3.950	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3)CC2=O)cc1	408606041	LCRLOAOTYXORRQ-IBGZPJMESA-N	431.492	3.770	50	40	IHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC	408806644	ARFFAAXNIMMEQW-LDADJPATSA-N	439.309	3.736	50	40	IHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c(C)c1	408910815	LJXSOFJWTHJXHZ-SSDVNMTOSA-N	433.302	3.968	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(OC)c2)cc1	409223609	HCFYTRYEDSOLRY-OYKKKHCWSA-N	449.419	3.595	50	40	IHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccs1	1434950	GHEZZNNUERZRHA-REZTVBANSA-N	448.136	3.811	50	40	IHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(C)c(Br)c2)c(C)c1	2134855	LYZMPNWGYWYUAR-UHFFFAOYSA-N	432.318	3.554	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	3664433	MUJLRLYAKSCSQI-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
OCCN(/N=C(/CBr)c1ccccc1)C(=S)NCc1ccc(Cl)cc1	4289076	VQZLQHIUZHQQNL-XLNRJJMWSA-N	440.794	3.808	50	40	IHGB	
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1	9575531	GLRFUNUBQHXZEH-QFIPXVFZSA-N	427.464	3.626	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2F)ccc1OC(=O)c1cccs1	20931936	YIKJZOUVPKCPRB-FSJBWODESA-N	428.441	3.644	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C	408588247	IPBARMIMHRHREY-YDZHTSKRSA-N	435.440	3.912	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409230091	BISCKATZYMJDCZ-DUPVFGOHSA-N	428.872	3.685	50	40	IHGB	
O=C(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)Nc1ccc(Cl)c(Cl)c1	6144115	LNKUOQBMZCUPBG-UHFFFAOYSA-N	444.344	3.712	50	40	IHGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	8861660	SEVYIZRJXPTXGG-AWQFTUOYSA-N	439.331	3.555	50	40	IHGB	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	13615308	PYYMDDVHCVVEMF-SNVBAGLBSA-N	444.702	3.509	50	40	IHGB	
O=C(Cc1csc(N2CCOCC2)n1)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	95951049	MGVNTNYVRYNANR-VHAPMWFVSA-N	448.548	3.567	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2C)c1Nc1ccccc1C	408708791	SSXBGLPZGUQZGS-JVWAILMASA-N	430.508	3.822	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1cccc(C(=O)O)c1	409108782	ZBVURZWYIVJJNW-WSDLNYQXSA-N	442.269	3.711	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O	409199956	GBYSVVLRUCWNJC-ODCIPOBUSA-N	443.308	3.708	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OC	409305559	VYIRNPYYLXCVID-UUYOSTAYSA-N	449.301	3.804	50	40	IHGB	
COc1cccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	818363	QSGWACREVLMVCT-KXBFYZLASA-N	433.863	3.611	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1C	2311142	DCSBQDUOBRAFDR-QGZVFWFLSA-N	435.505	3.743	50	40	IHGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	33437763	DVTZGYRDIRIGQJ-LSHDLFTRSA-N	436.449	3.701	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	59506949	QYJPSYVBAWZLTQ-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
COc1ccc(CCNC(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1OC	100868287	QKVJGTNRBPVIQY-CZAAIQMYSA-N	438.362	3.521	50	40	IHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2)cc1OC	408889753	GVDIVQZVDCIIIU-UDWIEESQSA-N	436.249	3.629	50	40	IHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409253335	WWRPRQGZWMYARP-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1O	96822620	HJVGWVNLHLTSCU-UWVJOHFNSA-N	434.202	3.582	50	40	IHGB	
O=C(N/C(=C/N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	100924843	IZDKLIBLHMEPHF-GFMRDNFCSA-N	432.460	3.562	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	6077078	ZNIQBDOAKBDKGR-RUZDIDTESA-N	428.467	3.873	50	40	IHGB	
CCOC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1	21969192	KCWFSCORBVYNAJ-INIZCTEOSA-N	435.590	3.529	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC	30809283	YGUYDNGOCFITFS-FBHDLOMBSA-N	433.258	3.985	50	40	IHGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1	33784736	VBDSJTSVLPYWBE-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccc(C)cc1	409015467	SFMAESGHAPEPAH-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)Nc3ccccc3)cc2)cc1	409202638	SLOSTBOVUOAGNF-MYYYXRDXSA-N	430.464	3.946	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Br	409356692	HCTUQXWPJVSETD-AWQFTUOYSA-N	441.123	3.782	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1	6250916	HFHCENMWYAIEIT-LFVJCYFKSA-N	437.521	3.822	50	40	IHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1	9544355	NSJPYPCDMYMBIF-UHFFFAOYSA-N	444.900	3.607	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	14244268	JLJAOZCLSCFGJN-LBPRGKRZSA-N	433.892	3.760	50	40	IHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19951606	NGXUAILUHFWUHG-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCC(C)C)cc1	408607640	UDENUHBSDGXILF-FQEVSTJZSA-N	439.585	3.975	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1)C(=O)Nc1nccs1	408707830	MBYKLESOJHIREN-SRZZPIQSSA-N	444.314	3.738	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	408921037	BPDGUXISZOEAAS-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2F)o1	409171347	ZNDAWDNIPHKIHV-HZZGJGATSA-N	438.415	3.571	50	40	IHGB	
Cn1cc(Br)cc1C(=O)NNC(=O)CCc1ccc(-c2ccccc2F)o1	16271355	XGZOLBVIGATSBO-UHFFFAOYSA-N	434.265	3.581	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)cc1	78932178	QOVUFVLVODAGET-UHFFFAOYSA-N	440.546	3.625	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1cccc(F)c1	408708452	QHFLEIIYXHGIRM-DHRITJCHSA-N	434.427	3.665	50	40	IHGB	
CC/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(OC)cc1OC	408711599	BCVLSDQKRQGVAF-CAPFRKAQSA-N	438.265	3.853	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1Br	408722273	GDRTZCNGUFPXML-KEBDBYFISA-N	439.107	3.935	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC	408725026	GEMSCXORWYBPBG-SDQBBNPISA-N	432.230	3.920	50	40	IHGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)OCC)cc1OCC	409063441	KVFLYWNGRGMXCS-JYRVWZFOSA-N	429.254	3.949	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1)c1cccc(F)c1	409122976	CXDLATMFBYKZQE-BUVRLJJBSA-N	441.484	3.534	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccco2)cc1	409218126	CXNOOXLSXSUYRQ-FMCGGJTJSA-N	425.828	3.875	50	40	IHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1	409220459	ZZLMRESIVXFRJX-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)cc1	6214207	XVHWHIFSPKUIEO-LFVJCYFKSA-N	427.570	3.669	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1	14166232	NNQPTZSTRHVGKV-AFUMVMLFSA-N	446.463	3.993	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccccc1F	16688705	SXAFOZABWHWQRM-FOKLQQMPSA-N	434.265	3.930	50	40	IHGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCN(C(C)C)CC3)c2)c(C)c1	25336742	GNNAFXKJYUJAEN-UHFFFAOYSA-N	442.585	3.694	50	40	IHGB	
CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCC[C@H]3CCSS3)cc2)C1=O	48290741	ZUMVPHQYWGGBJA-KRWDZBQOSA-N	435.615	3.847	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	408905909	AUGOBCLMJBTQKG-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(O)c([N+](=O)[O-])c3)oc12	408961764	DVNBPFPFIJETBY-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)cc1	409149199	ZACJJORQWFJRCK-BUVRLJJBSA-N	438.553	3.562	50	40	IHGB	
CCOc1ccc2nc(SCC(=O)NNC(=O)c3ccc(OC)cc3)c(C)cc2c1	915646	RPEDGGGBRPNFBT-UHFFFAOYSA-N	425.510	3.504	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	12783353	CMURVBUBYKKLFD-UHFFFAOYSA-N	441.456	3.761	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br	23382584	JMBCIVZNCXRQEW-ZYTLPXSGSA-N	435.318	3.603	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1	33680590	VVVAULSVYCEBLI-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccncc1)OCc1ccccc1	408738345	RNSBAHNQUVSWFA-YJGSSNSBSA-N	441.491	3.551	50	40	IHGB	
O=C(CN1CCOCC1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	409216978	QGPHAKVFNJMSBO-YUMHPJSZSA-N	426.520	3.625	50	40	IHGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC	409253041	AMQSLRQKFLBROB-ZMOGYAJESA-N	447.919	3.933	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)Cc3cccc(OC)c3)c3ccccc32)o1	409394304	YIQYLSJRVBSDQE-WGARJPEWSA-N	445.475	3.771	50	40	IHGB	
CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2cc(Br)ccc21	12466924	ZRHCXFWIHCVKFH-NMWGTECJSA-N	438.281	3.809	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)ccc1I	408748120	YRJNZJITCDRPGZ-SRZZPIQSSA-N	447.276	3.864	50	40	IHGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCCN1CCOCC1	27026276	QARKVYOZKXDLGH-QINSGFPZSA-N	434.323	3.999	50	40	IHGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccc(Cl)c1	2352829	UDHJYJQVMUIEKN-HXUWFJFHSA-N	435.867	3.699	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc2ccccc12	9058724	BSNNJRQOJIFZJF-FSJBWODESA-N	433.892	3.549	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(OC)cc3)c2C)cc1	408588849	KBPUJJJLDRHOQS-WGOQTCKBSA-N	433.508	3.972	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)ccc1OCc1ccccc1	409318670	WVPPBACGQLTHDE-YSMPRRRNSA-N	448.475	3.892	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1	33662764	PFFWWTUPBNQTQG-MYYYXRDXSA-N	448.479	3.872	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c(C)n1CC(C)C	8825769	BJQQFURDTPXWQM-RGVLZGJSSA-N	447.495	3.900	50	40	IHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1)c1ccccc1	408995377	BWQDLNHGAHAUAZ-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1	8574997	VSFQUGNLCJAUNF-SQFNAUOLSA-N	435.505	3.542	50	40	IHGB	
N#C/C(=C\c1cccc(Br)c1)c1nnc(N2CCOCC2)n1-c1ccccc1	9090863	DJVFZWJQGIMXQU-GHRIWEEISA-N	436.313	3.931	50	40	IHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1	12753214	TVVGSWDJLRQKHR-UHFFFAOYSA-N	444.534	3.662	50	40	IHGB	
COc1cc(/C=N/NC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C	16575664	OWIAPMQYCKRJHY-GUJRAXHGSA-N	442.516	3.945	50	40	IHGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2F)cc1	27528006	NAPVQODEAVIPJE-BUVRLJJBSA-N	425.485	3.556	50	40	IHGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1444799	YDCPRHLUXYIBFS-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2O)cc1	6599857	ZDKKDNDEXABCSY-CVKSISIWSA-N	433.464	3.857	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc(C)c2)cc1	16309408	ALSAQDCHIHCHEI-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccs2)cc(OC)c1OC	59922527	QTNRVWKUROWAIR-YDZHTSKRSA-N	439.493	3.790	50	40	IHGB	
CCOc1cc(C(=O)NN)cc(Br)c1OCc1cccc(Br)c1	226326776	TWIUOUQBFWLHKC-UHFFFAOYSA-N	444.123	3.793	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc1OC	408978310	HZPCAVSFYHHALC-JWGRYVKWSA-N	425.485	3.588	50	40	IHGB	
COc1cccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O[C@@H](C)C(=O)O	409239561	HGSCIDQAMYNRNZ-QVMKDISWSA-N	448.475	3.743	50	40	IHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	409310375	AWXABKRUBQBCCJ-GOSISDBHSA-N	449.532	3.746	50	40	IHGB	
CCOC(=O)c1c2ccc(OCC(=O)NNC(=O)Nc3ccccc3)cc2n2ccccc12	1398670	HRXXMAGRUVRYJE-UHFFFAOYSA-N	446.463	3.501	50	40	IHGB	
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(C)o1	1424978	YKEZHVORIHVILU-CNHKJKLMSA-N	446.095	3.651	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	9408641	IJZLNZBHFFALSV-NRFANRHFSA-N	435.549	3.840	50	40	IHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	408995161	AGWXYHMKQWELEK-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1	10058848	HSOJIRZJYCDNFC-ZTPSMGMTSA-N	426.254	3.927	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1	12942051	XZDVHEXGFNCNOP-UHFFFAOYSA-N	436.365	3.504	50	40	IHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	16194807	HMGHYKMGWIQVJR-WUXMJOGZSA-N	432.230	3.920	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(N3CCCCC3)o2)cc1	107691511	NQVLVPJOHJWSMP-CIAFOILYSA-N	433.306	3.755	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1	107755995	WZUFZFGHXUQSJV-BUVRLJJBSA-N	431.533	3.608	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408883117	SVODBTQPSSGWRR-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(C)c1	409019055	VOHWDJQHIHBDTP-MNVTYAKESA-N	439.556	3.680	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1	919120	JIGXICXRMIDNGQ-XQQQEEOESA-N	446.459	3.595	50	40	IHGB	
CCCC(O)(CCC)C(=O)N/N=C/c1cc(Br)cc(Br)c1O	3117703	SGJYHDJYZSWUHE-GIJQJNRQSA-N	436.144	3.699	50	40	IHGB	
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1	9575530	GLRFUNUBQHXZEH-JOCHJYFZSA-N	427.464	3.626	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)o3)nc3ccccc3c2=O)cc1	16712116	CALOICZWODJABG-CFRMEGHHSA-N	432.505	3.838	50	40	IHGB	
COC(=S)SSC(=S)NC[C@@H](C)NC(=S)SSC(=S)OC	4692283	SUIZGTBUAQOQMJ-RXMQYKEDSA-N	438.759	3.749	50	40	IHGB	
C/C(=N\NC(=O)c1ccn(Cc2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1	8780730	JTWKYVLBDDQHEF-FYJGNVAPSA-N	442.273	3.756	50	40	IHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cc(C)cc(C)c3)C3=C2C(=O)CCC3)c2ccccc21	13567756	OXMVWAXKMYGGBB-NDEPHWFRSA-N	448.526	3.742	50	40	IHGB	
CCOC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br	71335857	NWIWFYAYGFVRMW-CPSFFCFKSA-N	444.905	3.760	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1	408718712	ZUKOYHDUWWTXQW-XYGWBWBKSA-N	447.447	3.906	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)ccc1O	408761480	FADDERUUCRBFBO-MDWZMJQESA-N	434.233	3.941	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1	408937544	JQXZGTDPJGOPDI-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F	33674811	QKLNCFBEDPMQGQ-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)Nc1ccccc1	217039350	IULYEXAOSBLSSQ-CIAFOILYSA-N	432.889	3.567	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408979119	LKULSSDHRSYYPJ-VAHWYXDJSA-N	435.549	3.863	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCC(=O)N(CC)CC	409197109	WBEMKJMVMAIANQ-LDADJPATSA-N	441.553	3.617	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	409264340	OWJXISMEICKBSM-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1ccccc1-c1nnc(SCC(=O)/C(C#N)=C(/C)N)n1CCc1ccccc1	9562400	LZLZCVUFCCHEIB-MNDPQUGUSA-N	433.537	3.614	50	40	IHGB	
N#Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1Cl	15978922	YIYXQDSUPILPQB-UHFFFAOYSA-N	435.867	3.631	50	40	IHGB	
COc1ccc2c3c(/c(=N\NC(=O)CCCNC(=O)OC(C)(C)C)oc2c1)CCCC3	32035736	YQJJEQJOLRVJEA-YYADALCUSA-N	429.517	3.557	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1OC	33780393	LZQDGZCYBRQNDP-SRZZPIQSSA-N	437.290	3.638	50	40	IHGB	
O=C(NNc1ccccc1C(F)(F)F)c1cn(-c2ccccc2Br)nn1	57996892	BDVQLXYNDVRTLG-UHFFFAOYSA-N	426.196	3.806	50	40	IHGB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1OC	408605027	KIUKPWXKHDRCJZ-HXUWFJFHSA-N	447.520	3.727	50	40	IHGB	
CCCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408708916	VILIECQFQIBUAE-OEAKJJBVSA-N	431.334	3.949	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	408906602	IFXZBYNLUGDVDX-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1	409254088	HOSYLEOMYJXRES-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccc(I)c1	14923254	QSMYHFLBFVYAMV-SRZZPIQSSA-N	439.228	3.565	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	107859015	KPKMHGHODHSRRY-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)O	409213312	UENRQFDQVWDBPQ-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc1	1089248	QLWYVKGDXUGDGI-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccco1	9207549	OOACLDISUGIELA-UHFFFAOYSA-N	447.369	3.660	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1	9261154	QRMFUUZSFNBIEI-CCVNUDIWSA-N	449.482	3.602	50	40	IHGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cncc(Br)c1	9434701	VYWMXXJKDRUBJB-ZVBGSRNCSA-N	430.283	3.889	50	40	IHGB	
COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NNC(=O)c2ccncc2)cc1	14203385	QLWDZHKKYKOJMD-UHFFFAOYSA-N	432.455	3.771	50	40	IHGB	
O=C(Cc1noc2ccccc12)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	27008901	IQTKNOQIFKMITP-UHFFFAOYSA-N	437.459	3.684	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1	59500463	PLBCYJXYKRVXSE-IWIPYMOSSA-N	433.420	3.977	50	40	IHGB	
N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408799517	ZRTJUFUFXXIOTG-MDWZMJQESA-N	427.214	3.805	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cccc(C(=O)O)c1	408837565	IVSGGFKOOHJMLV-VXLYETTFSA-N	432.432	3.789	50	40	IHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408845607	YKAHXPGYANWZIA-MFKUBSTISA-N	439.581	3.770	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc(Cl)c1OCC(=O)O	409392227	OFCGLPWYAPXRIE-OPEKNORGSA-N	441.871	3.527	50	40	IHGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(O[C@@H](C)CC)c(OC)c2)c([N+](=O)[O-])c1	1429144	JKSGIIWGXXCNJV-LUILSVGHSA-N	429.473	3.872	50	40	IHGB	
O=C(CO/N=C/c1ccc(Cl)cc1Cl)NNC(=O)NC(Cl)=C(Cl)Cl	2570431	ISIBLGLURKRRBX-JJPRUIFNSA-N	434.494	3.517	50	40	IHGB	
O=C(NNS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(COc2ccccc2)o1	12751960	AXYUEYOVZUPQJR-UHFFFAOYSA-N	441.292	3.789	50	40	IHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1ccc(-c2ccc(F)cc2)s1	20629466	LAEXQCNEAKJLMH-UHFFFAOYSA-N	428.869	3.970	50	40	IHGB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(SC#N)c(Cl)c3)C2=O)cc1	408537161	ZJBXHIUUKWBEER-ZROIWOOFSA-N	428.857	3.501	50	40	IHGB	
Cc1cc(C)cc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1	408707373	JMPCISQQMAUEAT-SSDVNMTOSA-N	431.334	3.784	50	40	IHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(I)o2)cc1	408951036	HLNGTSFJHNLBJG-FRKPEAEDSA-N	433.043	3.719	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC	409218039	CGWIXMXNAWGEPR-DHRITJCHSA-N	440.883	3.746	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)NC1CCCCC1	883674	XPZBUYBRGQMGBT-QGOAFFKASA-N	430.508	3.907	50	40	IHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1	1439569	ZBBNVNVKEQCDLV-MDWZMJQESA-N	445.269	3.799	50	40	IHGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)o2)ccc1Cl	14134681	FLRXNZSHDYLCID-AFEQLLIESA-N	426.856	3.960	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c1C	20057671	PHSPFFOJJCSYHD-LDADJPATSA-N	431.500	3.676	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	59333913	WSXMXIHJEISRRR-NVNXTCNLSA-N	430.258	3.931	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Br)cc1	408605040	KJLZRYRYGUTPCX-INIZCTEOSA-N	446.374	3.702	50	40	IHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1	409320629	QRXBWGBQKZKPTJ-SFHVURJKSA-N	441.940	3.737	50	40	IHGB	
Cc1ccc(C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	3416178	KXSUVECIRHQGSF-UHFFFAOYSA-N	448.435	3.830	50	40	IHGB	
C[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cl	8757362	VHPIEQQDLDNKQQ-LHLQUDMSSA-N	446.095	3.601	50	40	IHGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccc(Cl)cc1Cl	31783439	OSWAGEUYHPJPKQ-NYAPKIOYSA-N	435.336	3.794	50	40	IHGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1F	33657205	KFTQVBNJQBSHRS-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408706989	GIABHWCHLHIULC-FSJBWODESA-N	435.297	3.698	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc(OC)c1OC	622682	ONBUPIOBNYGGAY-KRWDZBQOSA-N	438.871	3.974	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1	3080024	KHTGJUKCUUDYRM-ZMOGYAJESA-N	431.920	3.683	50	40	IHGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1c(Cl)cccc1Cl	3136579	YJIVSAMYQXCSSE-ODCIPOBUSA-N	429.101	3.636	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3214346	NIJRUSJFFDMKPB-LPYMAVHISA-N	429.885	3.610	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1C#N	6196163	HLKBNGCVHSFYQR-JOCHJYFZSA-N	427.464	3.786	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21)c1ccccc1O	46084825	LVKMSKYEAIQYLJ-DAFNUICNSA-N	435.867	3.605	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	408750440	MZXBOJJTTYQWIW-WPWMEQJKSA-N	448.906	3.747	50	40	IHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408962070	GGYJNAPVBKDJHX-GZIVZEMBSA-N	445.191	3.695	50	40	IHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	409021159	YKXDVFKPSDFITI-PCLIKHOPSA-N	447.495	3.603	50	40	IHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	409123057	DKWOKRKHRTXTLY-MRXNPFEDSA-N	431.290	3.662	50	40	IHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1	877666	TWVMYBUMJVUIKF-QINSGFPZSA-N	447.944	3.767	50	40	IHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccccc2C)cc1	3145002	YEFFIGWSAUYTFD-BUVRLJJBSA-N	438.505	3.600	50	40	IHGB	
CCOC(=O)NC(=O)/C(C#N)=C\Nc1cccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2)c1	8431400	PRFMAHZDPUNOLX-HKAVIZEOSA-N	436.428	3.523	50	40	IHGB	
Cc1cc(C(=O)CCC(=O)NNC(=O)CSc2nc3ccccc3s2)c(C)s1	9509502	QCXPLIDMAIXCHQ-UHFFFAOYSA-N	433.580	3.877	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1c[nH]c2ccccc12	12815998	DWTCDIKSYWKHRT-SNVBAGLBSA-N	436.693	3.812	50	40	IHGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccc(C)cc1	34690519	LLKHJNSJCHXOGT-CHHVJCJISA-N	448.260	3.580	50	40	IHGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21	46084805	CNCFGDAYRCSSGN-ROMGYVFFSA-N	449.894	3.908	50	40	IHGB	
CN(C1CCCCC1)S(=O)(=O)c1ccccc1N/C=C1/C(=O)OC(=O)c2ccccc21	97980978	YPDIDMXJQHXSES-XDJHFCHBSA-N	440.521	3.790	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c1	107980415	UBWLZWBKZOTSTA-REZTVBANSA-N	432.068	3.586	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OC)c([N+](=O)[O-])c2)cc1	408841122	HTRIYMHHSMCAFY-AUWJEWJLSA-N	446.257	3.598	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4157194	OCYLPVMLIUPUFH-LRRLDJKKSA-N	427.136	3.586	50	40	IHGB	
CCCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926821	XKMGPMWWKRNPME-RUZDIDTESA-N	427.460	3.702	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCN(C(=O)C4CC4)CC3)c2C)cc1	12754260	MIQXSEUHLZVXCV-RCCKNPSSSA-N	446.551	3.527	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	20240353	UJOHKMHCUKBAGM-ZXVVBBHZSA-N	428.536	3.781	50	40	IHGB	
C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	28218226	OZQFHJUVSJGDDU-WGOQTCKBSA-N	441.447	3.507	50	40	IHGB	
COc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC	33160893	KRKMZGOBKXKAQR-KSEXSDGBSA-N	444.285	3.544	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	408750226	YGXABJUFEJCILV-BUVRLJJBSA-N	438.505	3.844	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409009934	IUGAXRMIZJEXET-CVKSISIWSA-N	447.491	3.881	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OCC	409314499	SUMUEQAVMUFOGQ-FMCGGJTJSA-N	434.876	3.755	50	40	IHGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)C1	954762	YGVKQJCHZFBBQD-ZXGJNYTGSA-N	430.533	3.886	50	40	IHGB	
CCNC(=S)NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	1777123	ILXPJNMSOWZPSR-UHFFFAOYSA-N	449.652	3.591	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1C	2311143	DCSBQDUOBRAFDR-KRWDZBQOSA-N	435.505	3.743	50	40	IHGB	
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NNC(=O)c1cccs1	3449573	ZRNGXZUQMOATQK-UHFFFAOYSA-N	447.545	3.820	50	40	IHGB	
C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)c1cccc(I)c1	12463998	KGDJLTAHVMEHQI-CYGNYLSHSA-N	449.292	3.664	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O	15231306	PSHQTHPGYVNLLZ-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-]	33039534	JSRZHMMDGCVGDL-GXDHUFHOSA-N	449.448	3.723	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc(C(=O)O)c1	408991652	OTDXWTNGXXFGSN-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1OCC	409042059	XHIUXBWOAUQQEC-VXLYETTFSA-N	442.253	3.754	50	40	IHGB	
CNC(=O)/C(C#N)=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1	882367	MPCSXLGQXGHBSG-ZHZULCJRSA-N	449.532	3.632	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1	917441	SSAWLTFWYVCOGX-CYBMUJFWSA-N	426.567	3.820	50	40	IHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777907	UPDMGTICYKMZRT-LGWHJFRWSA-N	432.856	3.656	50	40	IHGB	biogenic
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc(OC)c1OC	10059615	QSLFUEYDEKFQBA-MFKUBSTISA-N	434.448	3.696	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1-c1ccc(Cl)cc1	12467986	NSAVYVHJKQKVRT-SSDVNMTOSA-N	443.916	3.559	50	40	IHGB	
COc1cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1OCc1ccccc1	12904957	CUOOURJLTYVFOA-INIZCTEOSA-N	438.455	3.642	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(F)cc1	33958235	HCFFCNIGQCUDLQ-LGJNPRDNSA-N	439.418	3.641	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1OCc1ccccc1	408610257	NASRBZWSFKOTQS-MMTYYTLLSA-N	431.920	3.683	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408612710	XGYRHPTWDIYPGF-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc2c(c1)OCCO2	408720292	XRAFSRVAEMHAPW-FYJGNVAPSA-N	435.343	3.994	50	40	IHGB	
N#CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408979728	OGBNESSMEALHTQ-UBCTUXONSA-N	426.476	3.600	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1C	409019463	ZESKAZDQMHVODY-YSMPRRRNSA-N	447.491	3.881	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1ccc(Cl)cc1	409219378	METPDXLVXYLIEY-FMCGGJTJSA-N	439.811	3.937	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	6446604	SREXAAQNQAVRHK-FPOVZHCZSA-N	441.516	3.810	50	40	IHGB	
Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)CSc2nc3ccccc3s2)c1	9665662	KLUGNLYOGAQABN-UHFFFAOYSA-N	427.551	3.816	50	40	IHGB	
CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12137401	JWCDUFALSYXFMU-JOCHJYFZSA-N	431.492	3.866	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1	108103866	BOOZMGXRTLQOSP-DHRITJCHSA-N	431.448	3.717	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)cc2)cc1	408907775	RIUQUDOLPJQAAR-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1Cl	409323837	PRTJUWQBUHAKDR-DZGCQCFKSA-N	433.961	3.821	50	40	IHGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1	13759611	BDDFOXZYAQXHNR-BMRADRMJSA-N	444.491	3.851	50	40	IHGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	16322779	DBFFPSGOGYKAAI-UHFFFAOYSA-N	443.997	3.823	50	40	IHGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1	408601405	JRCCTENOZONVTQ-OPVMPGTRSA-N	445.838	3.622	50	40	IHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408806636	ANWVFXWYTLFVDD-UVTDQMKNSA-N	446.219	3.988	50	40	IHGB	
C[C@H](C(=O)N/N=C/c1cccs1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028078	JQIDEAUGDPLMIQ-QFNCUCFLSA-N	443.550	3.845	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC	946968	QIYSRVQKDFOPHY-LERPTODRSA-N	439.537	3.925	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1	1097128	GAYFQEHQLHMALL-XSFVSMFZSA-N	442.519	3.663	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	9335472	WWJAXYOUDNPPOH-KGENOOAVSA-N	429.523	3.712	50	40	IHGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CCSCc3cn4ccccc4n3)cc2C1	12519872	LDPHWUCBPPZDCE-CQSZACIVSA-N	428.583	3.605	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21)c1ccc2ccccc2n1	13572770	UAWAUTRDSAYIFM-VYIQYICTSA-N	427.508	3.549	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	59535908	BMERWKQRBVEUME-LFVJCYFKSA-N	438.505	3.925	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408706550	BGDLFPUMPITXFW-OFJBCHTGSA-N	431.334	3.866	50	40	IHGB	
COc1cccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1	408777050	UIOODXSHOUWNRN-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl	408787191	UHDYXKBSRBKCIX-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1O	409042373	KJLFYJSOOOEWOB-SDNWHVSQSA-N	436.851	3.739	50	40	IHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409264314	OTYKBHYCWBDQCT-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1	409325224	XYFKBJODUPVGRY-IBGZPJMESA-N	449.532	3.801	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccccn1	409368957	URGAEMNOYCZONZ-MHWRWJLKSA-N	442.313	3.961	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1ccccc1	1435164	ZCWDSJYPJWJFEW-WGOQTCKBSA-N	446.459	3.840	50	40	IHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)c1C	4494325	LKEZYIWAJMUGNH-OMNSNBSWSA-N	427.545	3.597	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	9013196	SVOVFJJCHVEMLK-IBGZPJMESA-N	449.308	3.581	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl	20213000	NKKGSEYFOWKEOV-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	28214899	FAWHIAVIAMTLSJ-YDZHTSKRSA-N	433.961	3.876	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	107612142	JGMNTNQNANQWTK-AMAFCZHPSA-N	447.919	3.606	50	40	IHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(O)c(Br)c1	409018151	SQGDSUSREWFUFP-AFPJDJCSSA-N	434.677	3.885	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1	409169557	QUOCSIHIEWLXOE-XSFVSMFZSA-N	433.508	3.941	50	40	IHGB	
CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)OC)N1C(=O)CCl	1083103673	UAJMZFHMCALKEU-AVRDEDQJSA-N	426.900	3.821	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(CC(=O)N2CCCC2)c2ccccc12	818722	WYQNKRSRRCOAJR-QHCPKHFHSA-N	444.535	3.715	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1cccc(Br)c1	2317763	ANLVNNORVJOQLU-GIJQJNRQSA-N	436.360	3.549	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)sc(N)c1C#N	16249603	FAGBUFARBHJUFV-NYAPKIOYSA-N	428.857	3.886	50	40	IHGB	
COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O	32114576	YALDTOIQTNGTJP-OSALFXOTSA-N	428.228	3.533	50	40	IHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1OC	408843914	SVESGPKOALDKRK-RJABIYPMSA-N	449.301	3.647	50	40	IHGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(I)c(O)c1	408962193	XCWIIRJHUVEFLV-CIAFOILYSA-N	449.292	3.669	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OCC(=O)Nc1ccc(C)cc1	409192151	UZZOVXVWCTXJPF-RGEXLXHISA-N	433.508	3.987	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl)Nc1ccccc1F	108977177	XADQGINOOWLTEM-BRJLIKDPSA-N	426.835	3.656	50	40	IHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	3279457	UKBOSLVNUDGKFR-OUKQBFOZSA-N	439.475	3.887	50	40	IHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1	409230719	FSINBJURSBNATM-XNTDXEJSSA-N	446.385	3.996	50	40	IHGB	
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1OC	13146806	QKVJGTNRBPVIQY-ORYQWCPZSA-N	438.362	3.521	50	40	IHGB	
O=C(NNC(=S)NC1CCCCC1)c1ccc(NC(=S)NC2CCCCC2)cc1	9138280	MSWWCEMNQIOYNR-UHFFFAOYSA-N	433.647	3.747	50	40	IHGB	
CC(C)CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408708085	NZGPCPRWNCSJOW-WYMPLXKRSA-N	449.324	3.944	50	40	IHGB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1	100861350	UTSWPCJGSRPEAL-CULCSUMMSA-N	436.537	3.729	50	40	IHGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21	40138199	NRLUONABMQHHJO-RWEWTDSWSA-N	429.476	3.650	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1O	1052982	IZHPAKKPQYYTSP-SSDVNMTOSA-N	435.318	3.990	50	40	IHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)cc1OC	2179314	PAMKSMJPSFSOSD-KRWDZBQOSA-N	449.301	3.667	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1O	9272629	MUIRTFCOOMHGQJ-WGOQTCKBSA-N	444.516	3.724	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	59445096	HQALRMDPMXCTGU-AFUMVMLFSA-N	437.883	3.887	50	40	IHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1	408832627	VJBPTXWYKNWLGG-QINSGFPZSA-N	441.896	3.957	50	40	IHGB	
O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])ccc1O	408871827	XPGJOEYLWBGWAE-UUYOSTAYSA-N	436.380	3.552	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)Nc1ccccc1F	890511	QPHMWURIIOQTEB-XYSGSMRZSA-N	446.482	3.621	50	40	IHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	12918347	YWZHFNZUAXBGQY-UHFFFAOYSA-N	431.495	3.563	50	40	IHGB	
N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccncc1	19805028	HCLBAVOYELLEJT-BFLUCZKCSA-O	437.548	3.961	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)ccc1O	1299293	RAWTZSRLNMWBDC-QGZVFWFLSA-N	438.505	3.606	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	2438692	IUTQMFQUGUWGFQ-SJCJKPOMSA-N	432.307	3.861	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O	12275214	PYOYPDBXGIUQPA-AOMKIAJQSA-N	426.469	3.573	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	58900680	RJHGHIKSSJEHEA-BUVRLJJBSA-N	431.452	3.677	50	40	IHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)cc1OC	409007182	UUCVSRMDRJDYJL-WGOQTCKBSA-N	437.540	3.830	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)c(C)c1	409013075	JYGDQVZMYDFCFI-RNRKLAHPSA-N	445.947	3.717	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)ccc1OC	409320443	BJFVDSNLQCZTBP-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409330486	ASCGZFCOPYIDCK-OYKKKHCWSA-N	435.436	3.955	50	40	IHGB	
CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1	3643999	OCJQUCAHERGRDU-KNTRCKAVSA-N	428.492	3.969	50	40	IHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(F)cc3)c2)cc1	9096825	FJGQASARRIBYQN-BUVRLJJBSA-N	441.484	3.789	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nnc(C)s3)o2)cc1	16158160	BWNGFJGSJIMHLH-KEBDBYFISA-N	430.511	3.526	50	40	IHGB	
CCCCCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851894	NFAYGIBGEPPGDX-NZQKXSOJSA-N	431.540	3.619	50	40	IHGB	
Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CN3CCOCC3)cc2Cl)c1	59246609	NHYSFCVFOFYIBT-MSXFZWOLSA-N	436.339	3.663	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59249593	YMVHVQAVBZMZEQ-BHGWPJFGSA-N	439.855	3.908	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)c(C)c2)cc1	408787265	WDCLNCONIDYCTC-OEAKJJBVSA-N	425.510	3.550	50	40	IHGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	408956384	WJWCUPBAIFMZCD-UYRXBGFRSA-N	440.503	3.952	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1ccc(Cl)cc1	667472	XSCMACJNIKIBFZ-ZVBGSRNCSA-N	436.324	3.737	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC	1434956	NACYODWAHBYCHG-PCLIKHOPSA-N	427.464	3.715	50	40	IHGB	
C/C(=N\NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1)c1ccc(Br)cc1	8780684	HITAFSJUAKUFJC-FYJGNVAPSA-N	442.273	3.756	50	40	IHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)cc1	8856091	YFRUKMAXWMRBTD-OMOGNBNLSA-N	430.508	3.882	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O	9905772	NKWIGBYRDVLSKD-IFRROFPPSA-N	448.100	3.999	50	40	IHGB	
O=C(CCSCc1cn2ccccc2n1)NNC(=O)c1cc2c(s1)CCCCC2	30888434	SMGZHBIAWYKZSV-UHFFFAOYSA-N	428.583	3.749	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C	408777956	NCHRECAOPBOWPE-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	34688712	OUUWJZZRNGGEGT-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408769469	VRIOKOVDWMQBAA-MFKUBSTISA-N	439.581	3.898	50	40	IHGB	
COc1cccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O[C@H](C)C(=O)O	409239559	HGSCIDQAMYNRNZ-LNIIIOKPSA-N	448.475	3.743	50	40	IHGB	
C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NNC(=O)c1ccc(F)cc1	9614243	QDYPMBWTLYOVAH-GFCCVEGCSA-N	443.479	3.500	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1cccc(OC)c1	12273815	UPCSCYIQJDRCAH-YQPBSLOJSA-N	441.940	3.829	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1c(Cl)cccc1Cl	22933025	IPWPYXOUVMJVKB-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
CCSc1nc(C)[nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102947326	XYECSPMPYZPPSK-UHFFFAOYSA-O	431.521	3.810	50	40	IHGB	
O=C(Nc1ccc(Br)cc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408683893	MKGZWWSQERGWQU-BOKPKCGUSA-N	449.526	3.612	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(I)cc2)cc1	408797884	UFRAESNODSSGIL-GXDHUFHOSA-N	432.217	3.623	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409319026	ZEKXWNJRRACSJL-IBGZPJMESA-N	437.952	3.997	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1	6173311	XHJWWKVQXLLCDU-SSZFMOIBSA-N	449.479	3.864	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)c1C	9280188	FRGRQTCYSVVSBX-AZPGRJICSA-N	427.504	3.792	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1	9762531	PZPBOPBANIQTSD-JCMHNJIXSA-N	438.513	3.814	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1O	9845988	HJVGWVNLHLTSCU-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)NC1CCCCC1	101675005	ZOPFOHNWCXNKCM-OGLMXYFKSA-N	435.528	3.700	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC[C@@H]1CCCO1	408602570	CRWNBVFQQBCYDT-GQEMFKIVSA-N	446.507	3.700	50	40	IHGB	
Cc1cc(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O	3184519	XFERFDBWEKPHEB-ZVHZXABRSA-N	439.309	3.849	50	40	IHGB	
C#CCn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118481	AVYDDURNAGLNBA-LPYMAVHISA-N	441.272	3.951	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C	34881507	NPJDGKMOUISBPT-WJDWOHSUSA-N	431.277	3.908	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408609729	LFUDTUUKBIQQIT-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408777782	ITONFKBHBJJPKJ-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1	408969255	KDAONVDGDYRMRQ-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccncc1	409115804	KSXQGJNRNJBEOV-QRVIBDJDSA-N	435.465	3.863	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)NNc1ncnc2c1cnn2Cc1ccccc1	1833353	CLROYIDJDRNJMO-UHFFFAOYSA-N	447.549	3.720	50	40	IHGB	
O=C(NNc1ccccc1I)C(O)(c1ccccc1)c1ccccc1	2240811	IPUUJLCMFMSOAQ-UHFFFAOYSA-N	444.272	3.670	50	40	IHGB	
N#Cc1cn(CCC(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	26780165	PDAYJXLQFXPCBQ-UHFFFAOYSA-N	443.294	3.972	50	40	IHGB	
COc1cccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1	33907328	WORHHXRXYQEPEJ-PNWWAVQQSA-N	448.331	3.914	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2CN2CCN(CC)CC2)c1C	96129996	SELJXEIPHUXSTF-YZSQISJMSA-N	447.627	3.876	50	40	IHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl	408676676	MDQCUKUIIVKHTP-FOKLQQMPSA-N	436.295	3.821	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409140591	JTHDWCPMQKFAJE-AUEPDCJTSA-N	426.812	3.720	50	40	IHGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1	2229671	ONXSTAYCLNXYDS-QHCPKHFHSA-N	443.503	3.749	50	40	IHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1	9234492	CWJFGGIDHLAFFV-LFIBNONCSA-N	432.388	3.897	50	40	IHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(F)cc2)cc1	32581126	GSKWQCYNUVJVFW-XBSHTGLCSA-N	430.483	3.813	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)[C@H]3CCC1	57156126	DKJGAIUEEABSIR-RLWVUDJFSA-N	429.568	3.859	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccccc2Br)cc1OC	58625576	GOONTBSFMFMACN-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
C[N+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	100751242	PQDPREKWAAZKID-UTEJYTLASA-N	425.387	3.621	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)ccc1O	408754715	HDUIOVLSWXCUBG-LCYFTJDESA-N	434.233	3.941	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(Cl)cc1OC	408871492	GWCIIGLDQALCFJ-LZYBPNLTSA-N	430.888	3.988	50	40	IHGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409382132	YINNDDJLRDMTML-YDZHTSKRSA-N	435.396	3.858	50	40	IHGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1nccs1	3340234	YDGWVVPFUXCPMR-FPYGCLRLSA-N	429.093	3.919	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1	6924855	JDDUSBJGJDPWHD-BUVRLJJBSA-N	433.420	3.515	50	40	IHGB	
O=C(Cc1cn2ccsc2n1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	9613421	GLDLXOUOZPKBCL-QOMWVZHYSA-N	449.923	3.659	50	40	IHGB	
Cc1cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)ccc1Br	12927873	JBYWEAIYIUDDMW-UHFFFAOYSA-N	443.388	3.711	50	40	IHGB	
CCCS(=O)(=O)Nc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	30604733	XACXVNBHFGZWTG-UHFFFAOYSA-N	446.407	3.522	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)c2ccc(O)cc2)c2ccccc21	101216548	RGZDUTACNKUNTC-WNAAXNPUSA-N	427.460	3.638	50	40	IHGB	
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c1	704738	FWEOEUWFBUBMLJ-UFWORHAWSA-N	442.107	3.755	50	40	IHGB	
CCOC(=O)c1ccc(-c2c(OC(=O)CCl)c3cc(CC)c(OC)cc3oc2=O)o1	3071739	PJQVOBTVRGOLOR-UHFFFAOYSA-N	434.828	3.945	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1OC	9328964	VCWRXQDEYFWOOQ-HXUWFJFHSA-N	448.479	3.719	50	40	IHGB	
C=CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccnc1	10129675	FHCRNILFABDEGU-KEBDBYFISA-N	439.107	3.935	50	40	IHGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl	13943493	ZPZVWZXHDKMFFH-DELQEKLWSA-N	434.279	3.800	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1	59334154	BNENVXRUOKPHOJ-YBEGLDIGSA-N	432.261	3.865	50	40	IHGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)cc1	408784373	BIVWLYZUKLWIHG-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408824232	HMPIZWSDLXWRJM-OQLLNIDSSA-N	426.856	3.923	50	40	IHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nnc(C)s3)c([N+](=O)[O-])c2)n1	408993314	VMSNMOVRHMGTHS-VGOFMYFVSA-N	426.483	3.967	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409172139	IJJJEGUVQODZKJ-QDCCHXAWSA-N	431.467	3.908	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409322393	JWAODYSRXHVOOL-IBGZPJMESA-N	437.521	3.804	50	40	IHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2c(cc1Br)OCO2	1445048	BVMJOSXFKCGPII-AUEPDCJTSA-N	426.270	3.893	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OS(=O)(=O)c1ccccc1	2078230	UWTQTWRIKBKFQQ-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
Cc1nc(C)c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)s1	12276920	BMKIGHGAUUGGRC-FZSIALSZSA-N	433.125	3.754	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C[C@@H](O)C[C@@H]1C=C(/C=N/NC(=O)c2ccncc2)c2ccccc21	28393491	HAGTVSUBLANLCI-HXATVFBYSA-N	432.568	3.992	50	40	IHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(Nc2ncccn2)c1	30549618	AGINDPFEBOSSJA-INIZCTEOSA-N	427.464	3.602	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408708815	TYFZYQMERMZPHC-OFJBCHTGSA-N	431.334	3.866	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408730981	IECKHXOAXBRSOX-LGJNPRDNSA-N	444.516	3.796	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1O	408856989	KCTNOOXMRUIRRD-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1	408970260	DTWOHAPRHHLYNK-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3sc(N)c(C#N)c3C)cc2)cc1	15133387	WMCPYJLALUIXFG-BRJLIKDPSA-N	434.477	3.502	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	408769146	OVIMKLKVZOBUHB-AQXNZCSYSA-N	433.961	3.874	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1	667770	HHGLZAOJGLCUHI-SRZZPIQSSA-N	444.358	3.795	50	40	IHGB	
Cc1cc(NCC(=O)N/N=C/c2cc(Cl)ccc2O)ccc1I	1081694	SNBAFVOLHSSMKN-DNTJNYDQSA-N	443.672	3.521	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C#N)cc2)S(=O)(=O)c2ccccc2)c(C)c1	3089012	ZGQBAPSWIVWORB-WGOQTCKBSA-N	446.532	3.521	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Br)c1OC	13345114	HPGHZNQQQOPHGP-KPKJPENVSA-N	431.242	3.710	50	40	IHGB	
O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cccc(Br)c1	16386117	BSJULSGNSUZFGX-ODCIPOBUSA-N	429.101	3.522	50	40	IHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914720	HCOGUTZYWMYYKE-JJFYIABZSA-N	442.815	3.606	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1	59333876	ZLTNQHBHPCYDAQ-WJDWOHSUSA-N	432.261	3.865	50	40	IHGB	
C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100394165	UNNNFTAAKHFUGN-LGUMBVDOSA-N	427.136	3.526	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc([N+](=O)[O-])c1O	409078082	GTZAYAIXXWFTBU-AWQFTUOYSA-N	430.760	3.886	50	40	IHGB	
COc1cccc(CC(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1	8861643	WFYWYRJXWDGKBY-CVKSISIWSA-N	448.475	3.674	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC	9183568	DCWQDKZCNJSKEB-QRQCRPRQSA-N	447.447	3.820	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)o1	33458299	HHULFMCFNXHTFF-FOKLQQMPSA-N	428.828	3.983	50	40	IHGB	
O=C1CCC/C(=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)C1	101848757	ISDNZHWIUCSBKJ-PLRJNAJWSA-N	447.516	3.778	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1CSc1ccccn1	996456	KUCSPSXTWKSPAM-FQEVSTJZSA-N	433.489	3.862	50	40	IHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc2cc(Br)ccc2o1	1097090	OTFMFVNWLDWWOH-LPYMAVHISA-N	428.286	3.796	50	40	IHGB	
COc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(OC)cc3OC)c2)cc1	1434144	ONRSNWBUCOFLQS-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	2420217	VEJFDTDMBOEDGB-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(CC)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567719	GWWXZFLAVNLUHN-MUUNZHRXSA-N	448.526	3.688	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1	16291542	FKLFOCIZWURCPT-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C\c1ccccc1O	17249434	MPNKGKIPPKYMHS-MYYYXRDXSA-N	435.867	3.759	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(C)c2)cc1	33738752	OWKLREURHIWBGS-NLRVBDNBSA-N	449.576	3.687	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)c2C)cc1	58913398	PSVUZGIHXOYLKR-MFKUBSTISA-N	434.496	3.590	50	40	IHGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CCCl)CCCl)cc1Cl	73417445	SOXTZTWVQJRGPM-INIZCTEOSA-N	434.751	3.815	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(I)cc1	408526162	ARWHEFRYBGEVAT-LSFURLLWSA-N	447.198	3.872	50	40	IHGB	
Cc1ccc(C)c(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1	408708642	RVSHMOGSPFEEEZ-SSDVNMTOSA-N	429.318	3.538	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1O	408795588	CKNUHFBAYJVRDG-PKNJFHROSA-N	440.281	3.607	50	40	IHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O	408943581	LPUPYHHKELVVNP-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C(\c1c(C)nn(-c2ccccc2)c1O)C(F)(F)F	408953513	LWXXCSXZARDMLN-LGUFXXKBSA-N	432.402	3.656	50	40	IHGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409140744	SECCMDDEJMWHLA-QGZVFWFLSA-N	432.318	3.586	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3OC)c3ccccc32)o1	409394004	UFIUGEDHQWGROG-DHRITJCHSA-N	431.448	3.842	50	40	IHGB	
O=C(NNC(=S)NC1CCCCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F	2791823	MFEYQZUVHSXKIY-IAGOWNOFSA-N	448.543	3.688	50	40	IHGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1	6190618	OKIXAWRLILBKDW-VNSNFZHPSA-N	429.520	3.815	50	40	IHGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2oc1=O	8926188	YIUMHLIACZXHHO-KEBDBYFISA-N	430.214	3.618	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1C	9545441	NPDHVRYMGGJGGR-CXUHLZMHSA-N	428.420	3.651	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)Cc3cccc(OC)c3)cc2)cc1	12875808	WPVIQNOFODVLBM-UHFFFAOYSA-N	434.492	3.677	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC	33383290	LXRSVQWKRMRCQC-SRZZPIQSSA-N	434.290	3.579	50	40	IHGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3cccc(C)c3)c3ccccc32)cc1	46084817	QDKCKHWPZMTYAT-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408787078	QTTDUHOGKOFRCZ-SRZZPIQSSA-N	448.759	3.953	50	40	IHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccncc1	408864630	YQCMIFYOXJRBJZ-ODCIPOBUSA-N	438.296	3.593	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	409000721	ZVSIXGGYCZMZRU-ZVHZXABRSA-N	448.435	3.628	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1	835831	FYNDRKFZLLNUNM-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4cccc5ccccc45)c(=O)c23)C1	954760	YGVKQJCHZFBBQD-PZIWGWIQSA-N	430.533	3.886	50	40	IHGB	
C=CCc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c1O	1091881	KTHUYLNEJSHXFX-YDZHTSKRSA-N	439.313	3.892	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCC	10038238	SQEURRIJCUYSIJ-UFFVCSGVSA-N	435.274	3.739	50	40	IHGB	
CN(CC(=O)N/N=C\c1cccc2ccccc12)S(=O)(=O)c1ccc2ccccc2c1	16187448	MJQPWZRKTXXHRH-XYGWBWBKSA-N	431.517	3.764	50	40	IHGB	
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NNC(=O)c1cccs1	23560397	CRFMUMNSYJEKLD-UHFFFAOYSA-N	426.548	3.973	50	40	IHGB	
N#Cc1ccccc1Sc1ccccc1C(=O)NNC(=O)CN1CCCc2ccccc21	25127213	CMJOHTNWQVHUJU-UHFFFAOYSA-N	442.544	3.923	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNc3ccc(C)c(Cl)c3)C2)s1	30555365	WBQQGFRWBHZGHS-AWEZNQCLSA-N	427.979	3.562	50	40	IHGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1Cl	100097021	ZZFBUBBDHMICGT-HXUWFJFHSA-N	435.867	3.699	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	223163764	ZAGRWCRHBINZMH-VYYCAZPPSA-N	429.398	3.774	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1	408707147	HFMSIVXGSJQUTH-FSJBWODESA-N	429.318	3.562	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(C)cc1	408775172	FRVSCQUIAWGSCJ-UHFFFAOYSA-N	443.569	3.944	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccccc1C	409008313	VRSOTZZENGDSIY-DICXZTSXSA-N	446.507	3.757	50	40	IHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409132637	JOUOVMHSFVLBJQ-SFHVURJKSA-N	444.329	3.752	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(OC)c3)c3ccccc32)o1	409392156	LOFQVCZLUOELAY-DHRITJCHSA-N	431.448	3.842	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1	8843036	WALUSZKCECEQDR-AFUMVMLFSA-N	448.435	3.680	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl	58912341	IHNVOPJFANCJAY-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(C)ccc21	100870044	VDMQXHQRQBNPGC-OLFWJLLRSA-N	448.567	3.952	50	40	IHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	245380213	UINOFCFQLOYKAQ-PTEOKISQSA-N	433.527	3.622	50	40	IHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	408749015	JXFBTVDUMKJSGB-IFRROFPPSA-N	446.084	3.983	50	40	IHGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccn3C)n2-c2ccccc2)cc1	19849212	VCCXBTLAHMEOCM-IWIPYMOSSA-N	430.537	3.824	50	40	IHGB	
CCOc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c1O	30750270	NAGXGCOFOKHUIR-QRVIBDJDSA-N	439.541	3.620	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1	408709062	WUJBXDQYKGUPLP-DHRITJCHSA-N	434.427	3.665	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408788395	JWMVVQBBEPNPML-OQLLNIDSSA-N	429.270	3.855	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccc(F)cc1	408954607	TZQGLFRGOOFTGE-OMCISZLKSA-N	437.006	3.550	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	409029070	VHUUSCFFXVDZKX-FYJGNVAPSA-N	433.942	3.747	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	409134373	OZGZKGKQJYMKGJ-PCLIKHOPSA-N	445.560	3.862	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567622	SGVHMLOEFUIKHZ-SANMLTNESA-N	442.494	3.897	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OC	28217801	KBOWMBLXUANFFG-MNOULKQQSA-N	433.302	3.860	50	40	IHGB	
CCOP(=O)(OCC)c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O	38141380	PEXLYQVGQPVJBO-UHFFFAOYSA-N	430.377	3.923	50	40	IHGB	biogenic
COc1cc(OC)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408905485	ARTSCQIPEYPXCG-UKWGHVSLSA-N	448.229	3.885	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cc(Cl)ccc1Cl	409027392	BYMYKRJCRKAUSA-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ncnc2ccccc12	585152536	YMFDLTJWISIJJK-HXUWFJFHSA-N	446.511	3.690	50	40	IHGB	
O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1087029	PBEBKUROAMGCTC-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@H]3C[C@H]4C[C@@H](C[C@H]2C4)[C@@H]3CBr)cc1	100017834	QEFDBEIHKLONII-DSPIAGSCSA-N	430.320	3.746	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408609893	LYPORRIEBJOJKC-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408689004	XKMPKJDRBUFAOQ-BOCQSXMYSA-N	449.526	3.612	50	40	IHGB	
C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1)c1ccccc1	408799154	YFARZOQLWKUSNC-WQZUMXOESA-N	440.503	3.561	50	40	IHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(Br)cc1	408849886	AIOJNHXVMFCRCH-MTJSOVHGSA-N	443.257	3.677	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1C	1051660	VRVCOHPCSCPRIF-CNHKJKLMSA-N	430.096	3.951	50	40	IHGB	
Cc1cccc(OCCCC(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1	13096480	BRLTYUVREQYVJR-UHFFFAOYSA-N	443.503	3.919	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O	15223912	MGHIIZCZDDRSPH-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N\NC(=O)c3ccncc3)ccc12	20168532	RUIFMKATGRPVSI-RMORIDSASA-N	444.900	3.849	50	40	IHGB	
CCN(CC)c1ccc2cc(C(N)=O)/c(=N/NC(=O)c3cc4sccc4s3)oc2c1	1889274355	HCRIAXGBLURDAQ-FLFQWRMESA-N	440.550	3.900	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)c1ccccc1	9411040	WDUSVMNKVMRGTC-FTRAKHFHSA-N	439.519	3.747	50	40	IHGB	biogenic
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OC	10118632	YIVLBWZXJAEATH-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1	19949147	ZUQFGBRGQYCLGC-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	20211566	DGWNMVPNMDXARD-KEBDBYFISA-N	446.381	3.632	50	40	IHGB	
Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1	34909976	ZDYZSORIDLCNKZ-SBHAEUEKSA-O	443.390	3.737	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)cc1	58914091	VIBHVYPCRVFSAK-VEILYXNESA-N	446.551	3.692	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1	39986467	HRJHYAQZZPPHGZ-ULJHMMPZSA-N	443.569	3.559	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1O	40911859	KSDOAOHJTCVJLM-AWQFTUOYSA-N	427.682	3.736	50	40	IHGB	
CCOC(=O)c1nc(N)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1	104407118	XTZQFXVEQNWLTO-UHFFFAOYSA-N	433.493	3.521	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC[C@H]1CCCO1	408602572	CRWNBVFQQBCYDT-TVNWYLLRSA-N	446.507	3.700	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1	408879118	AWEHMTYBULSQEY-WOJGMQOQSA-N	432.432	3.885	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)n1	409233574	SYMMNOPFIGKRGV-SSDVNMTOSA-N	438.513	3.652	50	40	IHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409355847	DVIOGYKOWLPGGJ-FOKLQQMPSA-N	442.269	3.970	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1	1431113	MLTKXKAOIDJNGL-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4c(F)cccc4Cl)c(=O)c23)C1	1783434	LIRPRYHOKJJAJB-CCOKCROXSA-N	432.908	3.526	50	40	IHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccc([N+](=O)[O-])c1	8984022	CZSNCUJEDOLPGI-SRZZPIQSSA-N	432.274	3.765	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)C(C)C)cc1	16574986	RVDYIZDGLDQJLL-SSDVNMTOSA-N	446.301	3.733	50	40	IHGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1	24840213	CQPCZELSMIGUGY-UHFFFAOYSA-N	429.473	3.723	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)cc1OC	32905379	BMSHAIVOTBXCFC-UHFFFAOYSA-N	432.476	3.626	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21	46085151	TUVFONOTDYLAMQ-FVDSYPCUSA-N	443.503	3.710	50	40	IHGB	
CCO[Si](OCC)(OCC)Oc1ccc(O[Si](OCC)(OCC)OCC)cc1	170030085	GVTKAXOMUUJOBN-UHFFFAOYSA-N	434.634	3.534	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	408610616	OOEPCYUFUCKJRK-CVKSISIWSA-N	431.492	3.980	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)cc1	408998771	QINDQPVDMZROER-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)n1	409228835	FUUXCCJYFPKMIK-UFFVCSGVSA-N	425.470	3.812	50	40	IHGB	
COc1cccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1	2384889	SZGPJVZQTYZWDF-TVJQZGFISA-N	427.913	3.569	50	40	IHGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	8812750	SJSNYNQXSFOJEU-AWQFTUOYSA-N	427.682	3.892	50	40	IHGB	
CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9210270	IXJKXEAQNXIFPW-DEOSSOPVSA-N	445.910	3.935	50	40	IHGB	
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)CCCCl)scc12	9381472	ZFEHPRITAGTFIS-UHFFFAOYSA-N	437.880	3.721	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(Cl)cc2C)cc1	20060056	UFBQUKQJVIMRTP-YDZHTSKRSA-N	445.928	3.895	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1	20209591	DTQLCSDIQIZPIX-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1	409358321	DTFOUQWRRHRQIX-OCKHKDLRSA-N	426.108	3.918	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCCOC(C)C)c(Oc3ccccc3)nc12	2211541	RTUGXQBXWMQOSU-XDJHFCHBSA-N	446.507	3.634	50	40	IHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)c1	9907193	TXZDASCVDKWLCQ-VGOFMYFVSA-N	430.844	3.756	50	40	IHGB	
Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	12522862	FRPANMFCVGNJBJ-RCCKNPSSSA-N	448.548	3.574	50	40	IHGB	
NC(=O)N/N=C/c1cn(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc12	26840949	JJHXMCADOGVJBI-WCNLIYRBSA-N	425.492	3.813	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	33900375	PVHMDGLPWOWPND-QFEZKATASA-N	434.448	3.502	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1	408601106	ABCZUUIYSMHUPE-SFHVURJKSA-N	449.482	3.910	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1F)C(=O)NC1CCCC1	408706561	BMGMWGFAFDPFSN-FSJBWODESA-N	447.308	3.841	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1ccc(OC)cc1	703456	QGHMZLJTNZKEEJ-ZMOGYAJESA-N	434.525	3.697	50	40	IHGB	
CCOC(=O)N1CC=C2[C@H](C1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	1073872	WATOUHJMGJOHBB-FUHWJXTLSA-N	441.413	3.587	50	40	IHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2O)nc2ccccc2c1=O	1245296	NQXQOHYDMLNRMV-AFUMVMLFSA-N	444.516	3.642	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1	12786548	AFSQIBFRQFIBEP-UHFFFAOYSA-N	425.510	3.611	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1O[C@@H](C)C(=O)N(C)C	13032122	SCJDGUOATUXSQP-SFXSUONTSA-N	427.545	3.543	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567627	ONEQDOUSRFMPFI-XMMPIXPASA-N	430.895	3.775	50	40	IHGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccc(Br)cc1	20228364	GIZWLSVHXLFJEA-UFFVCSGVSA-N	442.697	3.571	50	40	IHGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1	28214381	FTYQJADWWKRNFY-QSLUSCNYSA-N	445.519	3.781	50	40	IHGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	83259555	QRSVLEYKYFMRDD-FBHDLOMBSA-N	433.258	3.985	50	40	IHGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)c1	409056976	FWMGCBBXIQJXEP-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1	409156845	TZESFTIHILQCCX-JFLMPSFJSA-N	434.540	3.820	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(C(=O)O)cc1	409186849	IPFJRQKYGNEMFB-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
CCOc1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OCC)c1OCC	9137537	QSSXUTGCBAVZEL-ZVHZXABRSA-N	446.500	3.672	50	40	IHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)cc1	13776566	RRGZYXYKBZWABO-XDJHFCHBSA-N	446.507	3.634	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16161347	KPGDYTFKGFEJJC-LGUFXXKBSA-N	449.576	3.633	50	40	IHGB	
Cc1cc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)c(C)cc1Br	102644844	FWRIMMHLVVHWPA-HSIZDUNOSA-N	443.135	3.575	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3n(C)c4ccccc4n23)c2c(O)cccc12	722089	DUPCWQZLSFNOLX-DHRITJCHSA-N	427.464	3.766	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21	13567618	NLESXFNMCZLUPR-SANMLTNESA-N	440.478	3.817	50	40	IHGB	
Cc1cc(C(=O)NNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(C)o1	40128820	KPLOOGKBYWTDDN-UHFFFAOYSA-N	426.856	3.621	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58912329	QLSANRHHUPYVKC-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	408769152	OWRIRGOLMPKJGL-JJIBRWJFSA-N	439.537	3.545	50	40	IHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	408934908	DIXIJVVITWJPLC-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	409134197	OAMMBNOXTHUZAT-YZSQISJMSA-N	449.576	3.899	50	40	IHGB	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	9799690	MUUYLOMYSNJKQT-UHFFFAOYSA-N	442.431	3.797	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O	20212391	UAERALOJWPEHIR-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	100981141	CFPWSGURHKNHEX-SRZZPIQSSA-N	433.808	3.599	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]2[C@H]4CBr)cc1	257353255	QEFDBEIHKLONII-KIUZSXPLSA-N	430.320	3.746	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1	408727785	RYZHRBXZENAMLL-OVVQPSECSA-N	429.520	3.862	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)cc(OC)c1OC	622677	ONBUPIOBNYGGAY-QGZVFWFLSA-N	438.871	3.974	50	40	IHGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)cc1	3644129	GYOXSRSJOJHFDK-OBGWFSINSA-N	444.491	3.723	50	40	IHGB	
COc1cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1OCc1ccccc1	12904951	CUOOURJLTYVFOA-MRXNPFEDSA-N	438.455	3.642	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	19956118	JSCPDAASIHYYJM-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
Cn1/c(=N\NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)sc2ccccc21	103050298	ZCSFHEOSHGYPPW-XTQSDGFTSA-N	425.514	3.774	50	40	IHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl	408708955	VQYRUZVZWPGCCV-XMQIJXBMSA-N	449.338	3.791	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)C(C)(C)C	408782785	ZAIDDYYULNNSSH-UFFVCSGVSA-N	427.876	3.663	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	408969108	HLGYVHCHPOKAHF-BUVRLJJBSA-N	431.533	3.500	50	40	IHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(O)c(O)c1	863804	CCRHACWDZHDAGU-ZVHZXABRSA-N	445.504	3.588	50	40	IHGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc(OC)c3OC)c2c1	871142	QSJDUQNQQMSCEZ-FSJBWODESA-N	425.510	3.811	50	40	IHGB	
O=C(O)Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	9265653	XIYQDNOPBWWCCB-LSFURLLWSA-N	440.253	3.999	50	40	IHGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CN2CCc3ccccc3C2)cc1	14165917	HHUMANAKOBTWHW-JVWAILMASA-N	427.504	3.780	50	40	IHGB	
CC(C)CC(=O)NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1	22508131	OVFSPZGUORCXAH-UHFFFAOYSA-N	431.539	3.509	50	40	IHGB	
C[C@@]12CC[C@@H]3[C@H](C(=O)C[C@]4(C)[C@H]3CC[C@]4(O)C(=O)CBr)[C@@]1(C)CC[C@H](O)C2	627260073	JLZAWPXFXHUIRQ-YASSIMDASA-N	441.406	3.654	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1	2111251	HTZFOLNHUDQCEX-UHFFFAOYSA-N	432.530	3.913	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(Cc2ccccc2)c2ccccc21	6191014	MJGFAZSWFVENMM-SANMLTNESA-N	425.488	3.838	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccc(Cl)cc1	9096135	ADXCEDXPKWLAMP-ZVHZXABRSA-N	432.904	3.921	50	40	IHGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccccc1OCc1ccccc1	12568347	WHKNMYGXXZVNQB-UHFFFAOYSA-N	432.505	3.748	50	40	IHGB	
C=CCc1cccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c1O	30743142	XPHQOMMMKMCTFX-OYKKKHCWSA-N	435.553	3.950	50	40	IHGB	
Cc1cc(NCC(=O)N/N=C/c2c[nH]c3ccccc23)ccc1I	1081910	XSMQLIJQRKJHAJ-LSHDLFTRSA-N	432.265	3.643	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccc(OC)c(OC)c1	1477923	KFTSFAIIHNOZBO-YDZHTSKRSA-N	439.541	3.533	50	40	IHGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1	13305531	OJLBTFJNXTYXDP-NWHDYCPWSA-N	439.471	3.893	50	40	IHGB	
Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1	13759566	XGYHCGXCXGMUKS-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)c1	16349410	ZZDRCZJGNBPRRC-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OCC	16689010	IDZJBQQSBXSRBW-LPYMAVHISA-N	429.498	3.942	50	40	IHGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O	17311763	FAGCLRMEOSNCKD-WTHRLWDASA-N	438.528	3.819	50	40	IHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1O	36206862	DEZNJCXCBZMBTJ-DNTJNYDQSA-N	428.228	3.535	50	40	IHGB	
Cc1ccc([C@H]2[C@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	100667644	LARDTZQEAYSVKI-FKBYEOEOSA-N	443.499	3.818	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(Br)o2)cc1C	408955531	XOBMFBBVUUWBNR-FBCYGCLPSA-N	429.112	3.984	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	3084488	LFNXTDHZAGUEJU-DHRITJCHSA-N	435.402	3.758	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1	8816828	HNSMBABFYWKQEE-SRZZPIQSSA-N	444.904	3.769	50	40	IHGB	
COc1ccc(Cl)cc1NC(=O)[C@@H](C)NNC(=O)COc1cc(C)ccc1C(C)C	13134276	FZDBVDPQVPAGPA-OAHLLOKOSA-N	433.936	3.807	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)c(OC)c1OC	664738	TVRTXDHICVMGMH-SFHVURJKSA-N	432.480	3.938	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C)C2	943721	XRNBGDXGKJFEAQ-OWGFIJSYSA-N	429.498	3.934	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1	2231317	CCMBCYGZIKLVSF-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)c(C)c1	9374682	GCBVNILXHUQTTF-QGZVFWFLSA-N	436.493	3.922	50	40	IHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1	59473352	PMTBGTUFGOOYMK-ZMOGYAJESA-N	444.553	3.799	50	40	IHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1	409188746	GARSOCPLRRCIDJ-NHDPSOOVSA-N	434.290	3.935	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2cccc(C)c2)cc1	409223377	FDSQDRAEPJGKCK-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(Br)cc1	985161	UQLLNIPPAQTQIP-MRXNPFEDSA-N	437.253	3.786	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(C)ccc(C)c2C)c(OC)c1	1917807	NBEIFFLYEVDOAK-UDWIEESQSA-N	434.492	3.814	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1	2318858	WBAWIYBWBMRIJX-SRZZPIQSSA-N	444.358	3.795	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nn(-c2ccccc2)c(N)c1C#N	16523701	BMOHYELNASMJRN-XNTDXEJSSA-N	446.426	3.534	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	28213952	YEEZNXBGJUMKCP-VULFUBBASA-N	435.455	3.681	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccncc1	32118567	IMZWTGRKASWQKH-UHFFFAOYSA-N	435.292	3.598	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(Cl)cc2)cc1	408921936	LWLGXJAITGKALZ-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
N#CCOc1ccccc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	409002251	MQOZGSFHMNMWOP-XHOYQDIRSA-N	426.476	3.600	50	40	IHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1O	13940517	FCICHCNBMYKFRU-SRZZPIQSSA-N	428.242	3.909	50	40	IHGB	
Cc1ccc(O)c(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1	22637226	ZTKYDEXEBVTZQY-XBSHTGLCSA-N	442.519	3.688	50	40	IHGB	
CCOCCC1(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)CCC1	89986763	VXWOVUZLIVDWNY-UHFFFAOYSA-N	442.585	3.744	50	40	IHGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccc(Cl)cc1	408529432	JPCBDZHWYKVGFZ-YBEGLDIGSA-N	447.720	3.952	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Cl)c1	408603174	DTWZBBMZTPVFLK-KRWDZBQOSA-N	431.949	3.602	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1cccc(OC)c1	408607735	UPDGAFURVJCJPL-FQEVSTJZSA-N	432.505	3.780	50	40	IHGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1cccc(Cl)c1	408724360	CWBLFGBFTQBRAZ-UHFFFAOYSA-N	438.923	3.829	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCC#N	408809683	HSAJRWATEDLUJS-RDZUSDMXSA-N	432.318	3.962	50	40	IHGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1	408849082	UYQKBXJPDZHISZ-MSXFZWOLSA-N	434.452	3.955	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1	1189812	FIAFJMAMRHNMOW-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c([N+](=O)[O-])cc1OC	1210938	VKNVQGRTLDHWKP-WUXMJOGZSA-N	432.230	3.920	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccco1	13787030	CZJVHPUPBIETNF-NTCAYCPXSA-N	446.850	3.957	50	40	IHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(C)cc2Br)cc1	13940396	WOGPYIJTRCYCPZ-OEAKJJBVSA-N	448.317	3.666	50	40	IHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240443	OHOREUVEBLLGCL-MTDXEUNCSA-N	430.527	3.907	50	40	IHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(C)o2)cc1OC	1247854	ZYWJTACJNCYHBA-AFUMVMLFSA-N	432.480	3.696	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	2354682	PQLJNLKQQXHYEM-XMMPIXPASA-N	445.862	3.521	50	40	IHGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1	14182493	DHJMVOWUBNPPJR-AWEZNQCLSA-N	443.500	3.505	50	40	IHGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NC4CCCCC4)cc3)n2c1	408997644	NTCCFBOCTRPBLY-VULFUBBASA-N	447.539	3.543	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)cc1	409200203	HLTKSNMYGLMXBB-YSMPRRRNSA-N	445.475	3.563	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	409266414	YOPCXMBIGCHQDZ-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
O=C(Nc1ccccc1C(=O)NNC(=O)c1ccccc1Br)c1cccs1	12728218	YUQUJMJJPUTFPP-UHFFFAOYSA-N	444.310	3.838	50	40	IHGB	
Cc1ccc(-n2ncc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2C)cc1	12986588	BUSCEVZOFMWVFT-UHFFFAOYSA-N	440.503	3.996	50	40	IHGB	
CC(=O)c1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1	17094646	RMIRZNJNNCJOFF-UHFFFAOYSA-N	425.938	3.933	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	17094705	PTGLNKATSDVNPA-FUGUBPHRSA-N	426.212	3.548	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc(Oc2ccccc2)c1	32576938	OJXKNYPBVVAKTE-DIBXZPPDSA-N	428.536	3.747	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1	408706958	FTFGVTPHLXJZOV-AFUMVMLFSA-N	446.463	3.534	50	40	IHGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1	408839723	VTPMNJQAUMJEKN-LPYMAVHISA-N	426.270	3.987	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409162183	SPYXZRGGHOQQHA-XTVKVDEJSA-N	449.463	3.756	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1	409220133	URQOSQCVMBYSHY-UHFFFAOYSA-N	437.883	3.984	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Br)c1	409232322	NWZUVNNFDKWLFD-PDGQHHTCSA-N	427.298	3.751	50	40	IHGB	
O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1	3186454	NUOKHJRYVCPGIK-VDPBDZCJSA-N	440.253	3.820	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567613	YUHIIQSENINSBC-AREMUKBSSA-N	440.478	3.817	50	40	IHGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1	23654201	ZKWVRNKJTRXVFL-UHFFFAOYSA-N	436.947	3.956	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(C(F)(F)F)c1	408964885	SZOZNVQECVJDBW-DNTJNYDQSA-N	434.155	3.780	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	409260159	LSPUYGBYTXHQKF-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2228887	LDTOZQVRZGYTFX-PXAZEXFGSA-N	432.307	3.861	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c([N+](=O)[O-])c1	9355282	USQICYSNXJUBMP-FBCYGCLPSA-N	442.653	3.554	50	40	IHGB	
COc1ccc(CC(=O)NNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1	12860209	DRRFFKKXINPVKT-UHFFFAOYSA-N	440.521	3.531	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1	27563393	IIRIXZKYHUDLFG-NBVRZTHBSA-N	439.464	3.938	50	40	IHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1cccc(Br)c1	100090460	BTNQAYGIOJSMQR-WYMPLXKRSA-N	432.362	3.886	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(Cl)c1OC	408867779	NOSZLUKFQPIABO-LZYBPNLTSA-N	430.888	3.988	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1	945193	XZRMAUAVQOTDFY-BUJDNCMTSA-N	437.448	3.801	50	40	IHGB	
CCOc1ccc2cc([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OCCOC)c(Cl)nc2c1	6631283	ADCUMHBKCQARMV-IBGZPJMESA-N	443.887	3.558	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1ccccc1	9934548	HOKRGXQRYBMDAZ-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
CN1C(=C(C#N)C(=O)COC(=O)/C=C/c2c(F)cccc2Cl)N(C)c2ccccc21	12521580	ROFFYIULWMPATL-ZHACJKMWSA-N	425.847	3.926	50	40	IHGB	
COc1ccc(CCNC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1OC	13146807	QKVJGTNRBPVIQY-DQLDELGASA-N	438.362	3.521	50	40	IHGB	
Cc1ccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c(C)c1	17099147	SZFQZZQQNCAFOB-UHFFFAOYSA-N	434.569	3.971	50	40	IHGB	
N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)OC(=O)OCC1c2ccccc2-c2ccccc21	97950100	MTCCPGLRIFGXTI-ZEQRLZLVSA-N	431.488	3.800	50	40	IHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C)cc(N(CCCl)CCCl)c1	98044757	HNKZRXTYZZIRDK-KRWDZBQOSA-N	430.401	3.635	50	40	IHGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Br	1102809	VSGFITWIDHEDNW-OMPOGXFXSA-N	426.108	3.704	50	40	IHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1	9159431	WFAKOQOLEOZFAI-GHRIWEEISA-N	426.432	3.612	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	13388021	OGKRIJHKUQFHQF-MDWZMJQESA-N	430.214	3.828	50	40	IHGB	
Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccc(Br)cc1	14185882	KCCHNGJWUSGBIS-FOKLQQMPSA-N	444.358	3.889	50	40	IHGB	
CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OCC(=O)N4CCCC4)cc3)ccc21	96681377	SFUUTDGIHKPIBB-WPWMEQJKSA-N	447.539	3.520	50	40	IHGB	
C[C@H]1CC(C)(C)O[Si-]23(Oc4ccccc4C=[N+]2NC(SCc2ccccc2)=[S+]3)O1	263607657	SEXXACLNLIKFJK-INIZCTEOSA-N	445.662	3.622	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1	408607169	CCGBADUQCWZXRB-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
COc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)ccc1OCc1ccccc1	409315682	WMBPJGJSYUFNLT-QFEZKATASA-N	434.448	3.502	50	40	IHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1C	9158950	WXJBYWXJUJPDDW-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc(-c2ccccc2)n[nH]1	9908323	IPYGUAKGDDHQOA-QGMBQPNBSA-N	438.079	3.959	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(Cl)cccc2Cl)c(C)c1	16267284	DCKWVIURHFFVQJ-LSHDLFTRSA-N	442.368	3.689	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O	31783553	BNLHZXDUOGGNFR-ROTLSHHCSA-N	432.505	3.674	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409250551	XIGDOVPQHPRSCM-DICXZTSXSA-N	449.482	3.853	50	40	IHGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409257906	ULUDQNPYBPCPRF-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)NCc1ccco1	1090813	VFJAJAGJDXBDHX-ONNFQVAWSA-N	426.064	3.734	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)C(C#N)=C(N)O2	1107274	GRAAQCIPBXYPCX-QGZVFWFLSA-N	425.784	3.988	50	40	IHGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1	1790779	MDEZWRHDVTWKBW-IMGOXIFKSA-N	442.338	3.669	50	40	IHGB	
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O	2789443	FUTSZSWJVJTHDF-OFQRWUPVSA-N	443.327	3.745	50	40	IHGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)n1	12446044	BESRTFHSNQQVNW-SSDVNMTOSA-N	427.302	3.780	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OS(=O)(=O)c1ccccc1	59536079	USOQNEULLMZSDO-XSFVSMFZSA-N	448.500	3.686	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OC(C)=O	408854777	BACGEPNZNDTITC-FBHDLOMBSA-N	431.242	3.893	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1	408924622	KUXBRBIPYNFZLN-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1	408941076	PLWUKTNJMDMSOF-YDZHTSKRSA-N	445.928	3.583	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408995920	FRYVOGFREFPXLO-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	690868	PYIXEEMIEPILLW-YADARESESA-N	444.510	3.567	50	40	IHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	9493401	MVARDCSBAYGAFE-UHFFFAOYSA-N	437.584	3.601	50	40	IHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)ccc21	9671333	ASUSFMSEKVKXDJ-CSKARUKUSA-N	442.951	3.653	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1	12689741	UXAKIIOLSIRKHD-UHFFFAOYSA-N	444.557	3.527	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567628	ONEQDOUSRFMPFI-DEOSSOPVSA-N	430.895	3.775	50	40	IHGB	
O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1	32819109	HXOFNCCHYZXLSH-UHFFFAOYSA-N	435.549	3.574	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	59434150	YJQCYUMXZAFACY-WGOQTCKBSA-N	445.475	3.531	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1	408980459	RBKKMSVRYNXSIF-RASHHNMQSA-N	449.463	3.972	50	40	IHGB	
Cc1cc2c(cc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCO2	409002115	MFLBRPTZOGWHBI-YNYZQSIGSA-N	429.476	3.735	50	40	IHGB	
Cc1cccc(S(=O)(=O)NNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1	2662923	RCFKUTRLMMLYRR-UHFFFAOYSA-N	435.480	3.973	50	40	IHGB	
CC[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	4295295	KGJKDPGICCIVAN-DAMBIUFKSA-N	446.326	3.952	50	40	IHGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1	12292692	HTMLFPFQVVVMDU-CYBMUJFWSA-N	438.311	3.635	50	40	IHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccccn1	13562965	LBDFDHHEKDXOEP-LYBHJNIJSA-N	435.281	3.525	50	40	IHGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2F)nc1	32870349	VJHRDUJTGMTNCU-UHFFFAOYSA-N	429.477	3.585	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(OC)c1OC	36618845	UFGVOYXKNSAGFL-QGZVFWFLSA-N	438.871	3.974	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1C#N	6196161	HLKBNGCVHSFYQR-QFIPXVFZSA-N	427.464	3.786	50	40	IHGB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(/C=O)c3nc4ccccc4o3)cc2)n1	16283614	IDFLASWVHMEDRY-VBKFSLOCSA-N	449.492	3.687	50	40	IHGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	33679818	FCOTVSBOAQUOKF-WFXMLNOXSA-N	427.430	3.941	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)c2C)cc1	34716528	SAMOLHBZNXXPBY-CVKSISIWSA-N	446.507	3.993	50	40	IHGB	
COc1ccc(/C(=N/NC(N)=O)[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1	38191905	FCULCYWBAAIFKT-MWQJQQHTSA-N	445.475	3.563	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(O)c1	857501	SDYCAYKVMVIXFP-WYMPLXKRSA-N	438.406	3.858	50	40	IHGB	
CCc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nc1	3036246	WRHAVNGQNCCFNH-UFWORHAWSA-N	427.096	3.639	50	40	IHGB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNc1ccccc1	8819632	PEZLQUNSWXHNFC-PDGQHHTCSA-N	441.534	3.540	50	40	IHGB	
CCCN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2cc(Br)ccc21	9762938	DAOPKBNLLWMUEO-PGMHBOJBSA-N	436.693	3.699	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(C)n1CC(C)C	12795032	MUWTVOKLZKURFF-VVIXHQMUSA-N	434.584	3.858	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3)nc3ccccc3c2=O)cc1	32577051	VJXLLXNGXSLRPM-MYYYXRDXSA-N	428.517	3.937	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	107941419	VPZNEZCMQNHWFF-MYYYXRDXSA-N	446.463	3.614	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(Cl)cc1	408805726	LCEUMLBCBHAUAQ-RKCQOLGWSA-N	439.899	3.560	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2ccc(C(C)C)cc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	409061445	ZYIZVYITLRYMGS-ZMFRSBBQSA-N	433.899	3.953	50	40	IHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	409382034	KTVAHMDAHDOUPJ-YDZHTSKRSA-N	441.444	3.668	50	40	IHGB	
C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NNC(=O)c1cccc(Cl)c1	9642511	ZXIHUHBNRZMSAB-LLVKDONJSA-N	447.973	3.937	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1C	16043753	WTSBPTHLOVQMOB-LICLKQGHSA-N	440.456	3.521	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1	32669236	JTZWJZWFIMNQTJ-UHFFFAOYSA-N	431.418	3.793	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408874814	DFTYQLQWUCXHDC-OEAKJJBVSA-N	434.408	3.775	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(I)c1OC	408884926	WAFVXQKLCLHOOD-OGXMHIDPSA-N	442.297	3.585	50	40	IHGB	
COc1cccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)S/C2=C(/C#N)C(N)=O)c1	2384886	SZGPJVZQTYZWDF-RWZYYMRUSA-N	427.913	3.569	50	40	IHGB	
N#CC(C(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1)=C1Nc2ccccc2N1	3448017	TUORASDNHQPHSY-UHFFFAOYSA-N	438.900	3.971	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	408791920	FIDKGQQDZPSPIJ-LFIBNONCSA-N	442.313	3.898	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C)cc1	409026962	KUCMXQXDGSHMRU-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408794258	IPKZURLTJLYVBU-OQLLNIDSSA-N	429.270	3.855	50	40	IHGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	408855782	DQXRCIOVIQXYTC-XIEYBQDHSA-N	449.532	3.597	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408613011	YHKIUQOHEFMCSE-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1C	100838336	JLNQICVXYLBYEA-ZQDZILKHSA-N	444.167	3.595	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1Cl	1097130	ZCEPYDLBJPJAQD-GHRIWEEISA-N	448.910	3.699	50	40	IHGB	
O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)C(Cl)Cl	3183545	GPLCPPGNONYVLE-ZHZULCJRSA-N	446.075	3.824	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])s2)[C@@H]2CN(Cc3ccccc3)CC=C12	13739426	RMUJSPHUINJXLA-NQIIRXRSSA-N	442.504	3.582	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C(=O)O)o1	35080016	CWLJEIWTPMBKIZ-WQRHYEAKSA-N	432.432	3.789	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)NCc1ccccc1	408795061	UPEVHLKOBGSSQG-JJIBRWJFSA-N	439.515	3.648	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)C(=O)N1CCCC1	409369505	CETLNLUFDGAECQ-GZTJUZNOSA-N	442.475	3.538	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2cc(Br)ccc21	2351881	OVZRXWACOCNVKY-GFMRDNFCSA-N	444.329	3.804	50	40	IHGB	
C=CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1	2742837	GZVYUSPXGZZWBF-KSSPAFGBSA-N	448.508	3.947	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	3206746	CRLFJOJPQFYSCF-RMQWKZBYSA-N	445.431	3.986	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	6904879	QSEXKNCNLSKPEI-MHWRWJLKSA-N	433.277	3.837	50	40	IHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1	9243180	OPZZPISQOMTWIB-LJQANCHMSA-N	448.479	3.806	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCCCCC3)nc12	13541564	MGEQWVUNJIKFLN-KNTRCKAVSA-N	433.556	3.739	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1C	20211071	BEUSSMHESJXIBL-BHGWPJFGSA-N	441.475	3.547	50	40	IHGB	
N#C/C(=C/c1ccc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1	32131616	RDTDTUGBKGXHEN-RKVFCIRRSA-N	426.392	3.907	50	40	IHGB	
C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(Cl)cc1	408568684	WBSQBGWOVQDNDX-RGVLZGJSSA-N	427.673	3.897	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	409244656	GWSRWPKCSRWTHH-MTJSOVHGSA-N	439.475	3.647	50	40	IHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1	1026294	YQXXQXVURKISAI-IBGZPJMESA-N	432.505	3.597	50	40	IHGB	
COc1ccc2nc(CI)c(CI)nc2c1	5085866	LILYPRLZBGZTJF-UHFFFAOYSA-N	440.022	3.508	50	40	IHGB	
CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O	100962741	GBOPRUHOCJEJJC-FYJGNVAPSA-N	446.459	3.695	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cc(Cl)ccc2C)cc1	408786744	MUNGBBFOPXTEQR-YDZHTSKRSA-N	445.928	3.895	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1cccs1	408882983	PTMRMFQTPORLJB-OQKWZONESA-N	427.551	3.792	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	409005749	KYJHGCOAQRTPDR-WGOQTCKBSA-N	445.475	3.531	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	1022725	NMCKJLLNQMECIS-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)/C=C/c1ccccc1OC	2267591	YWZOZCFRGSPNNG-WIAPSSLPSA-N	431.492	3.527	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])o2)cc1	2332371	PNPAMDDOQHHZAO-YDZHTSKRSA-N	437.408	3.561	50	40	IHGB	
C=CCn1c(S[C@H](C)C(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(F)cc1	2752405	AREJGRZQBJEWGR-JMKVTYIUSA-N	425.489	3.607	50	40	IHGB	
O=C(O)COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Cl	408846958	OHTROBQDSUKKOV-ZBKNUEDVSA-N	435.914	3.656	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1)c1ccccc1	408999363	COBWYWQCFYYMCF-YXUUZYBBSA-N	433.892	3.772	50	40	IHGB	
C[C@@H](C(=O)N/N=C/c1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028681	QCDHEHBNNARDAM-KHCKMINHSA-N	437.521	3.784	50	40	IHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccs2)cc1)S(C)(=O)=O	409110172	SYAWJQRQTZBIJE-HYARGMPZSA-N	427.551	3.787	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(I)c1	711282	DCCCCGYJBLOQHV-OAHLLOKOSA-N	442.212	3.616	50	40	IHGB	
O=C(CNc1ccccc1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	8780867	XCMXOQTUPZUKQK-YDZHTSKRSA-N	435.396	3.858	50	40	IHGB	
C[C@@H]1CC2(CCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(F)cc1c32	14162373	UXVMDIMATKCTOT-SHZVTRLKSA-N	433.483	3.961	50	40	IHGB	
CCc1cc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccc(C(N)=O)cc3)c2)cs1	17098954	HVUNXSCHBHURQI-WGARJPEWSA-N	434.521	3.816	50	40	IHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc(I)c(O)c1	59248760	RJLYDVPCQFWCIX-UDWIEESQSA-N	431.233	3.551	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1OCc1ccc(F)cc1	408613497	ZZZIWWYYJJHIJG-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)c(F)c3)oc12	409085576	BRCYROINIFGDIU-FSJBWODESA-N	426.404	3.853	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1	409322579	JXHRAOKWVAASFW-GOSISDBHSA-N	449.532	3.801	50	40	IHGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1OC	2198218	DNQSKGZZPCOBTO-JOCHJYFZSA-N	443.503	3.749	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)[C@H](C)Nc1ccc(I)cc1C	2748519	SLQJBQHXTDOQGY-HSWQHBDASA-N	437.281	3.559	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCC[C@H](C)C3)nc12	9347703	QZHNGBQAHZCMLU-WFVLPUPGSA-N	433.556	3.595	50	40	IHGB	
CCOc1ccccc1/C=N/NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9665293	SUHIRKYLXMNNNU-WGOQTCKBSA-N	426.476	3.607	50	40	IHGB	
COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc(F)c1	30817628	FSUBRJIYTNCSDU-VYYCAZPPSA-N	435.455	3.924	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1OC	408675817	BFKRAWNRMHTKCQ-XKZIYDEJSA-N	432.318	3.830	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(OC)c1	408980894	UBNSNEWGFXOWPC-KDPMPHTCSA-N	431.492	3.715	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1	2354656	LQUOAZHHNBGXHX-LJQANCHMSA-N	437.521	3.932	50	40	IHGB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)nc1	22996724	JNJQBKHUCLOVPQ-UHFFFAOYSA-N	442.756	3.931	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	28213747	HPISVZCXGZQDCM-FOKLQQMPSA-N	433.961	3.627	50	40	IHGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)c1cccc(Br)c1	100931016	VAFRMENKKLCQSU-MHWRWJLKSA-N	433.693	3.644	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1	408776444	OEPCGAHQDVLBMG-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(Br)c1	9667712	XDUHTFRCDKDMRP-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCCCOC(C)C	13769130	IVXFWUPZUFATKV-XDJHFCHBSA-N	446.507	3.634	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	15231270	OOVCEIPMVKNLCR-DHDCSXOGSA-N	430.258	3.931	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	18128150	QFMRSBJXSVHVMG-VDRXRZQYSA-N	427.501	3.529	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1	19956188	IXMWVHXZYUVWAH-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)c(Cl)c1	23136139	VOCOCFLXYVZXKS-UHFFFAOYSA-N	449.269	3.809	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1	34880594	WGGBIBJMFNWQSQ-XAOCGEIJSA-N	441.528	3.646	50	40	IHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	408995448	ABPIRPHRSGMQPD-ZZQPOVDQSA-N	427.570	3.752	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1	1089066	GWKVNNRKDUHYBT-LPYMAVHISA-N	427.302	3.857	50	40	IHGB	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)c1O	2343197	NAGXGCOFOKHUIR-YDZHTSKRSA-N	439.541	3.620	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccco1	3139246	QOLYKFJVKZINCB-FSJBWODESA-N	428.828	3.690	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1OC	6196131	IHKSXNPCNOLBHL-SFHVURJKSA-N	433.424	3.610	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	7738005	QFMRSBJXSVHVMG-IHTCQKTMSA-N	427.501	3.529	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	8383246	MUNRNFJTILFWNZ-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408787205	UPKVEEYPYXRTGE-HZHRSRAPSA-N	435.977	3.944	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)Cc3ccc(OC)cc3)c3ccccc32)o1	409392780	NPHATABEHCXAQP-WGARJPEWSA-N	445.475	3.771	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(I)cc1	10118451	RPVDUIDXRYIORL-CAOOACKPSA-N	429.601	3.617	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(Br)c1	3151449	YFCSAABAGCBHQH-CNHKJKLMSA-N	426.064	3.704	50	40	IHGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cnccn1	9585572	NCHYUWJQPULNCP-KKMKTNMSSA-N	428.370	3.720	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OC	409363088	KXNRQEZZCSSOCY-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c1	408773029	OULXWPJDXGAEGT-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1	19948741	VYVGSNNGVLDGPY-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2ccc(Cl)cc2)c1S(C)(=O)=O	1386363	LGNQVGSKFBPAPD-UHFFFAOYSA-N	429.929	3.895	50	40	IHGB	
O=C(N/N=C/c1ccco1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	3525976	GENVNTSVROMEOV-ZVHZXABRSA-N	431.473	3.906	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1OCC	10040083	RCRNIIBUYJDYSV-UHFFFAOYSA-N	447.491	3.811	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3	31858960	HVPAQDOCJJZPHO-GHCDPNHPSA-N	438.553	3.693	50	40	IHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)cc1	38807174	QNFLPNYSVOCGEW-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	255990748	NSZFIOJKHRFXHS-KXBFYZLASA-N	430.457	3.999	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	408969445	NPEYRXABTRYBBO-PCLIKHOPSA-N	445.560	3.674	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(OC)c2)cc1	409223275	GOHGIVCGDZPURN-OYKKKHCWSA-N	449.419	3.595	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1Br	2736989	MMXMARAGLOIBDK-CNHKJKLMSA-N	426.064	3.704	50	40	IHGB	
C=CCn1c(S[C@@H](C)C(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(F)cc1	2752403	AREJGRZQBJEWGR-WQEJZQBCSA-N	425.489	3.607	50	40	IHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3)cc2)n1	22061114	ZJKFYLYEQLLVIF-KRWDZBQOSA-N	436.537	3.614	50	40	IHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl	96492117	HGPOGTDXPJWGBS-LCYFTJDESA-N	441.702	3.682	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	108269871	XPFLZJOJQLJZKD-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1	408612456	VLWTVLOUXQFZCX-AFUMVMLFSA-N	431.920	3.684	50	40	IHGB	
Cc1cccc(CNC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c1	408709201	YNHFRYWYLFAQFO-JFLMPSFJSA-N	444.491	3.512	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)c([N+](=O)[O-])c1	408886383	GQOQGPPHFWVJCG-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2cc#cc3ccccc23)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	409055824	FJDDURWOHVFIIU-VYYCAZPPSA-N	439.862	3.583	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	840428	ASVGEUYDYBRZDV-MRVPVSSYSA-N	432.647	3.784	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1sccc1C)S(=O)(=O)c1ccccc1	2176145	PXDNLSLBVVPQNT-HZHRSRAPSA-N	441.578	3.965	50	40	IHGB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	10040045	MESPTKHVLWQFIW-MMXTWKRJSA-N	437.283	3.806	50	40	IHGB	
O=C(NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1	13382209	GTCBGSKSELMSNM-UHFFFAOYSA-N	432.530	3.913	50	40	IHGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	28215468	HONLRBCTKANNGS-SCELWYEFSA-N	446.463	3.615	50	40	IHGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)c(C)nc2c1	58872764	AXBVCCBEXBQUSA-CVKSISIWSA-N	441.491	3.733	50	40	IHGB	
N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)NCc1ccccc1	408747009	JDHZVDAASVZLAA-MLPAPPSSSA-N	438.652	3.874	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1	1421653	ICLASSVOALHYNN-ZVHZXABRSA-N	449.419	3.595	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(Br)o1	1435626	BHGJLXNGMJAGAX-UBKPWBPPSA-N	436.487	3.987	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Cl	8812751	NROFKBXDHZFVDP-AWQFTUOYSA-N	427.682	3.892	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(F)cc1	8854647	LHKWJOKUWLKUSU-WOJGMQOQSA-N	447.470	3.510	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H](O)c1ccccc1	409141080	LVQBWTWACDDFOI-PGNNWUFWSA-N	444.241	3.801	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCC(=O)Nc1ccccc1	409268791	ANALIJRCHCQYSI-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@@H]1COc2ccccc2O1	9477573	RDOCOYFEXGLWRV-AFEQLLIESA-N	430.489	3.891	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)O	12463091	XDCAUDAQNHTCQS-AUWJEWJLSA-N	445.269	3.775	50	40	IHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	16248316	CWHHVXKURSWHJD-UHFFFAOYSA-N	443.613	3.967	50	40	IHGB	
N#C/C(=C\[C@@H]1C[C@H](Br)C[C@H](Br)[C@@H]1O)C1CCC([N+](=O)[O-])CC1	104159850	OFJDVPKRJARGTD-MUUNBYKZSA-N	436.144	3.570	50	40	IHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1	408759073	XIDUURRWKMEGLF-SAPNQHFASA-N	449.444	3.908	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1O)C(O)(c1ccccc1)c1ccccc1	3033260	JQPROOYCXTUQLY-OEAKJJBVSA-N	425.282	3.541	50	40	IHGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	59473622	LAZFHDWKZMIPGU-JJIBRWJFSA-N	425.554	3.710	50	40	IHGB	
O=C(NCc1ccccc1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1O	97951277	VEEALBAQPPMJAQ-UHFFFAOYSA-N	427.440	3.962	50	40	IHGB	
Cc1cc(F)ccc1NC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408708877	UZLDDRHMFOWXKG-LGJNPRDNSA-N	448.454	3.973	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C)c1	409369025	XXQNRNVKUFJJBF-XSFVSMFZSA-N	433.508	3.941	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccn(Cc2ccc(Br)cc2)n1	1089038	JIVXDOUPSFAFMT-UFFVCSGVSA-N	433.693	3.817	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1O	33160879	BEZHPIASITTZSJ-KSEXSDGBSA-N	444.285	3.631	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2ccc(N(C)C)cc2)[C@H]3CCC1	36685792	DKJGAIUEEABSIR-GJVLPJBHSA-N	429.568	3.859	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(OC)c1	107777197	LVZZDKRECNXWNT-WSDLNYQXSA-N	425.397	3.645	50	40	IHGB	
O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1	254739955	FUESCEAUXXRNSI-UHFFFAOYSA-N	443.051	3.589	50	40	IHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408720209	VURUGJOUEBAANA-WCIBBKAISA-N	425.554	3.709	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N	409136889	VKQAWCVTKSTPAY-DEOSSOPVSA-N	440.503	3.876	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC(=O)c3ccc(OC)cc3)c2)cc1	979620	UJMRVLAMLQUNJL-MFKUBSTISA-N	434.448	3.696	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2ccccc2C)c2cc(Br)ccc21	2339873	CMMBTQCASGXMOE-QQTULTPQSA-N	443.345	3.837	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O	2402077	ZUBRRQYQNNQVIG-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1	6014862	AFBTWOXPZJLSNI-LPHOPBHVSA-N	437.450	3.625	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1	20209018	FRTLNFNNSSCTFJ-WYMPLXKRSA-N	441.475	3.745	50	40	IHGB	
O=C(N[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1)c1cccs1	23383051	YCRVSYGNBZMNJN-ZDCBYCKXSA-N	437.565	3.583	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)cc1	27500575	SEAZPAIMFJNATC-KOEQRZSOSA-N	435.549	3.699	50	40	IHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)cc(Br)c1O	83329336	CZLBDYLMVYXWGV-UWVJOHFNSA-N	430.071	3.749	50	40	IHGB	
COc1cc(C=O)cc(I)c1OC(=O)/C(C#N)=C/c1ccccc1	408753822	QSWYEMAGLYXISM-VGOFMYFVSA-N	433.201	3.625	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	409259680	CJYMJKISSQMRFN-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	818364	QSGWACREVLMVCT-BEFAXECRSA-N	433.863	3.611	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1Br	1444743	CTIYLBVAIRZWQL-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)s2)nnc1-c1ccc(OC)c(OC)c1	1477979	OBCFWLGAKPRBQF-SRZZPIQSSA-N	445.570	3.595	50	40	IHGB	
O=C(C1=C(O)C(=O)N(CCBr)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	9380519	NXOCXMBPJMJXJP-MRXNPFEDSA-N	431.242	3.568	50	40	IHGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)N1CCN(c2ccccc2)CC1	59676675	QMKCZTVGHSQUSQ-CAPFRKAQSA-N	427.460	3.901	50	40	IHGB	
Cc1c(Br)c2ccccc2n1CC(=O)NNC(=O)c1cn(C)c2ccccc12	89534450	DDRJNSOKDKMHQT-UHFFFAOYSA-N	439.313	3.665	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(=O)OC	107694825	UCYIUDWSJYNWOU-AFUMVMLFSA-N	436.464	3.563	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1	107725099	BNKULWRKNFXHJD-WSDLNYQXSA-N	425.397	3.645	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409373104	PMXCVPYUOMZISH-XNTDXEJSSA-N	438.396	3.833	50	40	IHGB	
O=C(NNC(=S)NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F	2791822	MFEYQZUVHSXKIY-IRXDYDNUSA-N	448.543	3.688	50	40	IHGB	
CNC(=O)/C(C#N)=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O	8691645	LYMGYWLJIICTTO-CJLVFECKSA-N	449.514	3.554	50	40	IHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1cc(F)ccc1F	9128150	ZSQVBHWFVDCOMP-MHWRWJLKSA-N	436.418	3.856	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCc1ccccc1	408612661	WOOSASRSHLTACI-DHRITJCHSA-N	431.920	3.540	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br	408790566	WXWNJJJMYQQEDO-NTEUORMPSA-N	445.269	3.642	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C(N)=O)cc1	408963639	DAKLGYTZJRWXLK-BRJLIKDPSA-N	445.435	3.611	50	40	IHGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1	1001414	CVFFZUCFCCOEPV-YDZHTSKRSA-N	441.944	3.939	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OC	10272031	LADQVLXYDXYWJY-HXUWFJFHSA-N	435.505	3.502	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(I)cc1	10476094	KEQXTMIHCJOIQM-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1	12291897	CKFJNMUNEZEMGO-CQSZACIVSA-N	449.345	3.876	50	40	IHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(N2CCOCC2)o1	59679103	BWKTXQIVTNXIIS-OEAKJJBVSA-N	442.313	3.725	50	40	IHGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1	409134633	WWEQHLWPQREVHY-LSFURLLWSA-N	441.336	3.929	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)=C2C#N)cc1	409316254	LKEXUQZUFFUGJV-BXWFABGCSA-N	427.570	3.947	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	1084986	UPCMVLBRMGLGOQ-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
C[C@@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cccc1c32	2218078	UHGPYYNTLUFVAN-PTFIGZPYSA-N	434.503	3.932	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc2c(c1)OCO2	6544951	IMZKAMWQKHLUDC-FQEVSTJZSA-N	446.488	3.501	50	40	IHGB	
CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OCCOC)cc2c1	6631217	BXYVDYOOSJZNRQ-LJQANCHMSA-N	443.887	3.558	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1	8775340	UUTUPXUHNRBECI-DHRITJCHSA-N	433.464	3.763	50	40	IHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C	16249994	NPQCBBGVSSVYMG-UVHMKAGCSA-N	444.963	3.554	50	40	IHGB	
Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(C)cc1Br	102644848	FWRIMMHLVVHWPA-JEAUKYMQSA-N	443.135	3.575	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1OCc1ccc(F)cc1	408610620	OOSUYCODLMYOLB-JEWIKEISSA-N	449.482	3.741	50	40	IHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	408665029	ZHACQUVBXHXYON-RDTXWAMCSA-N	448.834	3.510	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409366539	VSZGFAIYSCNQIP-MYYYXRDXSA-N	447.447	3.638	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2cc(Br)ccc21	2300795	VFJHLWNXPDJHTK-GFMRDNFCSA-N	444.329	3.804	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2F)cc1Cn1cc(Br)cn1	2347748	BKNMQZGQKAUXBE-LSFURLLWSA-N	431.265	3.606	50	40	IHGB	
NC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1	2807457	ZHXWZNDALQEHOE-UFWORHAWSA-N	427.096	3.793	50	40	IHGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c1O	8721550	SCHPAZAKIDNRHC-LSHDLFTRSA-N	427.284	3.808	50	40	IHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NNC(=O)c1ccccc1	8878154	BTAVQWLTKSIMAI-UHFFFAOYSA-N	432.480	3.989	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c(OC)c1	58913619	HDAMZBOMIFYOQH-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2OC)cc1[N+](=O)[O-]	408710920	WMRYXUNGKSLHKZ-RGVLZGJSSA-N	436.262	3.919	50	40	IHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1	408921411	ASUKPPNNXQINPF-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(=O)Nc1ccc(F)cc1	409191275	FYZXHBSTKXDBDH-ATVHPVEESA-N	437.471	3.818	50	40	IHGB	
Cc1cccc(C(O)(C(=O)NNc2ccc(Br)cn2)c2cccc(C)c2)c1	778180	KUKBRPYDEMOIFF-UHFFFAOYSA-N	426.314	3.840	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)c1	1055703	JVXNEYCZEDYHKP-CVKSISIWSA-N	448.475	3.761	50	40	IHGB	
COc1cc(C(=O)NNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC	3768015	WSJHAFRZOMPXPZ-UHFFFAOYSA-N	430.442	3.501	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1Cl	12600825	CDSCMDGAKOPHBV-LPYMAVHISA-N	440.352	3.932	50	40	IHGB	
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc(Cl)c1OC	408605775	NCYSCYWSWZNGRX-MRXNPFEDSA-N	448.932	3.694	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)O	408789466	JKQYCIIMPZCRGL-RIYZIHGNSA-N	430.844	3.756	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OC)c1	1435126	CAICDKSYSNREFJ-CVKSISIWSA-N	448.475	3.761	50	40	IHGB	
COc1cc2c(cc1OC)[C@H](CNC(=O)OCc1ccccc1)N(C(=O)[C@H](C)Cl)CC2	13997995	KRHJSZBJDFMOGU-KXBFYZLASA-N	446.931	3.683	50	40	IHGB	
O=C(Oc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccc(Cl)cc1	32109240	KTXNMYOIYPBTEC-CWOJIVPFSA-N	436.851	3.849	50	40	IHGB	
Cc1nc(C)c(-c2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)o2)s1	32905940	AGRJQDISTPHDEK-UHFFFAOYSA-N	438.538	3.793	50	40	IHGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)cc1	58887839	OWDLNPBMIMJILI-NHVVDLMHSA-N	433.508	3.983	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1	59302572	YVVPLNPUEBPQIK-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
COc1ccc(Oc2ccc(/C=N\NC(=O)Cc3csc(C)n3)cc2[N+](=O)[O-])cc1	59578984	DIFAMBWTGBYJSK-NHDPSOOVSA-N	426.454	3.853	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C	408708813	TWKGAOUVZHXJQD-FSJBWODESA-N	431.334	3.786	50	40	IHGB	
C[C@H](/C=N/NC(=O)[C@]1(C)CC1(Br)Br)Cc1ccc2c(c1)OCO2	19644187	DKMMHMKJHIOTIM-LGGXJRNISA-N	446.139	3.592	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	19947894	GSXAFMPYVGIETL-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409366558	WCYIGPPYBLLWRV-FSJBWODESA-N	441.827	3.972	50	40	IHGB	
COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)c1OC	795177	DKGLMMHELWBLMB-KRWDZBQOSA-N	437.521	3.723	50	40	IHGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(C)c(Br)c21	12462635	FWSQHNSVNTVDPN-UHFFFAOYSA-N	436.693	3.571	50	40	IHGB	
Cc1nc2cc(Br)c(CBr)cc2c(=O)n1COC(=O)C(C)(C)C	34742231	LFEFHZGDNXLLQK-UHFFFAOYSA-N	446.139	3.909	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1O[C@@H](C)C(=O)O	409010726	DHFRNFPDYZRPNX-CJAAZZPWSA-N	445.269	3.855	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1OC	33305967	ODCSVXWWVQMDNX-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
N#C/C(=C\c1ccc(Br)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1	9090857	GYBVCKAGKVMDLA-SAPNQHFASA-N	436.313	3.931	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(OC)c1OC	36618844	UFGVOYXKNSAGFL-KRWDZBQOSA-N	438.871	3.974	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1	58916562	JRJBLYBKVHSYBA-TURZUDJPSA-N	442.563	3.777	50	40	IHGB	
N#CC1=C(SC[C@@H](Br)CBr)NC(=O)[C@@H](C#N)C12CCCCC2	102413754	WBACGTZMEVDTEY-WDEREUQCSA-N	447.196	3.833	50	40	IHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408609714	LDUKWFPFDGGDDH-JFLMPSFJSA-N	435.911	3.994	50	40	IHGB	
CCn1c(C)cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)c1C	409108348	WHSVMDLMZFIBDN-GRSHGNNSSA-N	425.270	3.502	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br	13388045	QNBSROBWLLTZPC-MDWZMJQESA-N	430.214	3.828	50	40	IHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O	9008121	KZZMMBHDPUOVRR-AFUMVMLFSA-N	444.516	3.642	50	40	IHGB	
Cc1nnc(SCC(=O)N/N=C/c2ccc(OCCOc3ccccc3)cc2)s1	16363420	BQRMAHWEGJQBDO-FYJGNVAPSA-N	428.539	3.547	50	40	IHGB	
CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(I)cc2)cc1	3101355	WQZWWKIPMLJILB-FYJGNVAPSA-N	449.292	3.723	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1C	9960154	LCDJREICKTVNLS-XDHOZWIPSA-N	433.468	3.654	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C	30838799	GUEAVEOCIFBICY-QFEZKATASA-N	447.447	3.960	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)c(Br)c1)c1ccccc1	408978323	IDTNJSBHYZAENR-KOWBDXASSA-N	448.317	3.785	50	40	IHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1	409223110	GLAYXMHBWFKGDH-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2258046	FBKPWGLVLSABDX-FQEVSTJZSA-N	426.948	3.760	50	40	IHGB	
CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O	16752345	GBOPRUHOCJEJJC-BKUYFWCQSA-N	446.459	3.695	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(N(C)C)o1	59104701	MVCXKNVTPPMPNC-QGMBQPNBSA-N	445.111	3.643	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)cc1	408874292	ZWQQKTCNHLMCRF-PKAZHMFMSA-N	432.524	3.649	50	40	IHGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)c1	2362749	MYRASURTBHLCTH-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	
COc1ccc([C@H]2C[C@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1	8781683	QVAXYZOIXRDYQC-HZPDHXFCSA-N	444.841	3.607	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(C)n1CC(C)C	12795034	MUWTVOKLZKURFF-JIOFHBDDSA-N	434.584	3.858	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1	23109420	WPGOZLLBVZGENS-UHFFFAOYSA-N	430.291	3.587	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c(F)c1	28011001	QBNHAKKUHWVDQP-UHFFFAOYSA-N	440.500	3.608	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@H]3C[C@H]4C[C@@H](C[C@H]2C4)[C@@H]3CBr)cc1	100017839	QEFDBEIHKLONII-UYFLOSJKSA-N	430.320	3.746	50	40	IHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1	408788454	KCVWTIMHOWONNZ-KGENOOAVSA-N	441.487	3.936	50	40	IHGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)cc(Br)c1O	409022515	JVSXNICBHGNJJF-AFPJDJCSSA-N	434.677	3.885	50	40	IHGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OC)cc2Cl)C2=C1CC(C)(C)CC2=O	409123734	IIGCLDXNCXCOKO-HXUWFJFHSA-N	445.947	3.740	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)/C=C/c2ccccc2)cc1	409224269	KOLPPBFMXACMQF-FUPWBYONSA-N	445.431	3.986	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1OC	409259855	GRFVFTFREBKNDB-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1OC	409313386	OLGFDKZKZWVMBS-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1O	409353328	JDZMYPLSJFUNHT-ZVBGSRNCSA-N	426.698	3.769	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC	636837	CSNFSZCAPVLFLW-MFKUBSTISA-N	449.463	3.884	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccc(F)cc3)nc12	2222444	FDWGTWSNUWHIBM-SAPNQHFASA-N	432.455	3.854	50	40	IHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1	9283553	UYCFXZYTXYPTCO-CIAFOILYSA-N	426.325	3.542	50	40	IHGB	
COc1ccc(N(C(=O)CC(=O)N/N=C(/C)c2ccccc2)C(=O)c2ccc(F)cc2)cc1	33622863	CYDLYJKRPOSAIU-PKAZHMFMSA-N	447.466	3.938	50	40	IHGB	
Cc1cc[n+]([C@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1	34909981	ZDYZSORIDLCNKZ-ZJOUEHCJSA-O	443.390	3.737	50	40	IHGB	
C=CCNC(=O)[C@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	100868601	MKRSUBRVCDTKCJ-JCOFBHIZSA-N	444.005	3.974	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1C	408785236	VDVNLFYXOBVCJL-CNHKJKLMSA-N	429.112	3.636	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	408904719	NNWKYTAHRXIPCO-KSEXSDGBSA-N	434.408	3.623	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1Cl	868387	GLJZCBAPKVJNQD-FSJBWODESA-N	426.860	3.753	50	40	IHGB	
CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12137402	JWCDUFALSYXFMU-QFIPXVFZSA-N	431.492	3.866	50	40	IHGB	
C[C@H]1CC2(CCCC2)N2C(=O)[C@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(F)cc1c32	14162375	UXVMDIMATKCTOT-CANCMXDXSA-N	433.483	3.961	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c1	35086448	AXRBPZPUARSHDD-DHRITJCHSA-N	431.448	3.717	50	40	IHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1	96477372	LGEUWQADGYLLEJ-JJFYIABZSA-N	443.550	3.869	50	40	IHGB	
COCCn1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C	408570397	UMFUQOANFBQTDA-LPYMAVHISA-N	433.599	3.759	50	40	IHGB	
Cc1cccc(C)c1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1	408708324	PEOGPJFHQODFFS-SSDVNMTOSA-N	429.318	3.538	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)c(Cl)c2)cc1	408785474	GGTPRFJORMOMML-YDZHTSKRSA-N	445.928	3.895	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409192642	DEBFJRISBWPIEM-SDQBBNPISA-N	441.709	3.620	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nnc1-c1ccc(Cl)cc1	1246176	COMIIXQTFDGJPG-YDZHTSKRSA-N	442.976	3.927	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1	9971618	WXGBGGVDBUQJNV-JJFYIABZSA-N	427.848	3.580	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	16575748	WFAMBKQOFFASOS-SSDVNMTOSA-N	442.368	3.888	50	40	IHGB	
CC(C)CNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	19648011	CQTLYSQSFLTSPN-UHFFFAOYSA-N	448.596	3.940	50	40	IHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	20213958	GGHGUEGBYHALMI-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cc1c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	21894432	FFTNRUVGMWMSHP-UHFFFAOYSA-N	426.256	3.830	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3OC)c2C)cc1	58913491	BUQHIUQGKIZTLD-CVKSISIWSA-N	448.523	3.899	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1Cl	409059708	NMVMPIYRIVFPHZ-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)COc1ccc(Br)cc1	409240802	PXQGHHUTQJRJLO-OEAKJJBVSA-N	446.345	3.977	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1OC	795216	AHMOLEWTPDMUDZ-QGZVFWFLSA-N	437.521	3.723	50	40	IHGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1Br	2132109	CDUXURWREKBLFX-UHFFFAOYSA-N	438.709	3.591	50	40	IHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1	19953734	AYYKGFDJIPISDS-MXJLDLDKSA-N	445.585	3.688	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cccc(C(F)(F)F)c1	408771357	HNASYPUGJSZDLM-DHRITJCHSA-N	449.454	3.775	50	40	IHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	408775900	STLVKGSLYUVFLW-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1	408778458	UTAIPBJRZOMZDO-HAVVHWLPSA-N	431.558	3.819	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2Cl)cc1	409063003	FHCHSBMSOCFRKF-YDZHTSKRSA-N	445.928	3.583	50	40	IHGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	15162247	KJVIBNBQTYPCIF-SSDVNMTOSA-N	447.835	3.528	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30738405	IXAKPHIZTQTFJK-XKZIYDEJSA-N	439.449	3.577	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912123	VCAPIIKOUHFBAX-YSURURNPSA-N	433.295	3.760	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)OC	408850079	FIYTZHMVSOLECA-KSEXSDGBSA-N	430.844	3.801	50	40	IHGB	
COc1cc(Cl)cc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Br)cc2)c1O	687112	CNKBCZLGFXLPPJ-KTMXNEEYSA-N	426.698	3.767	50	40	IHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C/c3cccc(Cl)c3)cc12	2224047	KAJQJTPYLNLTNK-WYMPLXKRSA-N	427.888	3.846	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12	9381725	SXUBGCVOILLDKX-UHFFFAOYSA-N	444.582	3.782	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1OC	9934431	PPJCEXLQECRDIO-AWQFTUOYSA-N	427.682	3.649	50	40	IHGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)c1	15229455	TUAPTDBAHHEXKU-WGOQTCKBSA-N	431.492	3.557	50	40	IHGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	28213849	DGECMWCYJPIGJU-BUVRLJJBSA-N	425.554	3.757	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1cccs1	58927531	IAOJDEVGZFUFIS-XQNSMLJCSA-N	445.541	3.931	50	40	IHGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	409072494	CIFBJBMTLLMEPU-XSFVSMFZSA-N	430.460	3.768	50	40	IHGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1	409196279	YJTVWQMRIFYUEA-UFFVCSGVSA-N	439.693	3.808	50	40	IHGB	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1C[C@H]1CCCO1	9463696	VZBPKQBTUQRVOK-WVWKGNOCSA-N	435.524	3.683	50	40	IHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1O	15134205	UFMBLRUKXXDGFA-SRZZPIQSSA-N	428.242	3.909	50	40	IHGB	
O=C(N/N=C/c1ccccc1Cl)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235265	HEBMDUIQULKBSS-NWZXOKCJSA-N	447.878	3.990	50	40	IHGB	
NC(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1	40060330	RSDDGUIMEWUBIX-UHFFFAOYSA-N	444.878	3.729	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1	408709204	YOPBFUCKZDWXIN-AEIQVQRHSA-N	444.491	3.764	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(Br)cc1O	408904171	FVUCWFFFMYBPHM-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C	408925249	NXGYBOHIOCRGJE-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2ccccc21	1245546	PQEOTYIEMMAUKD-NKFKGCMQSA-N	441.896	3.599	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2	2215060	RNLXEKPIFXYHMH-GOSISDBHSA-N	438.281	3.779	50	40	IHGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	9164645	OBLIRTDUTKKVTJ-BJMRFWQKSA-N	442.338	3.621	50	40	IHGB	
O=C(NNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc2ccccc2n1	12728233	BPMFKFBTUDVGJE-UHFFFAOYSA-N	443.360	3.653	50	40	IHGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3cccs3)c3ccccc3C2=O)cc1	33014891	OOIMJOBOAFHYCK-RGEXLXHISA-N	433.489	3.609	50	40	IHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccccc1I	33730004	URGVHBMJGMCTQC-MTJSOVHGSA-N	430.245	3.974	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	58918340	GKVBGYSVZLDPON-PCLIKHOPSA-N	443.475	3.701	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccccc2)cc1	408784318	RPBCRQAQQHKFCD-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1	409052933	FENATVOFTONJQO-DICXZTSXSA-N	427.508	3.862	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OC)c1	409324038	QTHTXBJUHJPUSH-UCQKPKSFSA-N	443.297	3.798	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1O	1798378	KMHGZHBMZMQBGB-KEBDBYFISA-N	446.579	3.787	50	40	IHGB	
CSc1ncc(Cl)c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)n1	12892032	NOTWPOSJUMKXOZ-UHFFFAOYSA-N	449.747	3.779	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1	108936457	HTNWAMXFOQQUTM-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1	408797573	SCZPJAUJDCKRCQ-OQLLNIDSSA-N	428.828	3.526	50	40	IHGB	
Cc1ccc2oc(C(=O)NNC(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)cc(=O)c2c1	12907931	BKVPEYHCXIAFDA-CQSZACIVSA-N	428.872	3.600	50	40	IHGB	
C/C(=N/NC(=O)CCC(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1	13882065	FIZSPVHVKRNYJW-MTJSOVHGSA-N	433.262	3.616	50	40	IHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NCCc1ccccc1	58882956	UUCWNINGVUQJBE-YUMHPJSZSA-N	435.911	3.842	50	40	IHGB	
COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)C)n1	98007031	VKMKRZJFJUQRKC-UHFFFAOYSA-N	429.464	3.755	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCC(=O)O	408806825	BLEXAHGVWZMHMG-SDQBBNPISA-N	449.232	3.606	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2cccc(C)c2)cc1	16309476	MDGGLVIJYHHUBV-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	408791679	ASDXBOUDCRLIKB-QGOAFFKASA-N	431.448	3.529	50	40	IHGB	
COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409220683	DFXXTTKQBITOMW-FBCYGCLPSA-N	443.754	3.760	50	40	IHGB	
O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1	1403816	XIONLTXEFYXNJS-UHFFFAOYSA-N	426.325	3.564	50	40	IHGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1	2134904	GRASDJOZLJZODT-UHFFFAOYSA-N	425.529	3.680	50	40	IHGB	
O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1F	2651352	QMOSUXHACPOBRU-FQEVSTJZSA-N	439.874	3.802	50	40	IHGB	
CC(C)N1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21	8756636	QRONZYHHRQYNIL-LTGZKZEYSA-N	436.693	3.697	50	40	IHGB	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c(C)o1	27618017	YZSJIHNDGKGERJ-UHFFFAOYSA-N	426.782	3.829	50	40	IHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	59488260	MOEGFJPLSWDCRE-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1C	409118806	QFNBSPOUROCWCI-ROTLSHHCSA-N	436.497	3.715	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OCC(=O)N1CCCC1	409159305	SKHBDYDUQUSMOX-XMHGGMMESA-N	449.507	3.641	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(C#N)cc1	409198608	INKSTUDDVYNYCE-ATEMXAKRSA-N	431.492	3.738	50	40	IHGB	
COc1cc(OC)c([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC	2338969	RZIAEFGZOOVYAC-MRXNPFEDSA-N	437.521	3.932	50	40	IHGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	9909731	FSOOGJQIOJXUCI-KRWDZBQOSA-N	431.536	3.646	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(C(=O)O)o1	33619999	BRHMFHYKYYRDTL-WYMPLXKRSA-N	438.436	3.646	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(NC(C)=O)c3)c2C)c1C	34793816	ULXNSKLQYZAFEV-WGARJPEWSA-N	446.507	3.911	50	40	IHGB	
COc1cc(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1O	408851625	DQFWQBMVGQUALL-OCKHKDLRSA-N	436.205	3.516	50	40	IHGB	
Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])n1	409096132	JODSZZLXEPTHOQ-LICLKQGHSA-N	447.476	3.773	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)cc1	409364758	PFARITIUKHGWOE-MFKUBSTISA-N	434.448	3.587	50	40	IHGB	
COc1cc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	8411433	SUTRHSPKHUILSD-NZQKXSOJSA-N	431.540	3.616	50	40	IHGB	
CN(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1	16186960	OEOVBNVTUMIING-WGOQTCKBSA-N	431.492	3.984	50	40	IHGB	
C[N+]1(CCCCBr)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	100751239	PQDPREKWAAZKID-NJQGOSEYSA-N	425.387	3.621	50	40	IHGB	
C[C@@H](OC(=O)c1ccccc1/N=N/c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1	102904856	AZHQUYGVFISBNE-UEMQUKQSSA-N	432.436	3.814	50	40	IHGB	
COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1OCc1ccc(F)cc1	408610385	TXTIDXPUAYLLQT-GOSISDBHSA-N	449.482	3.910	50	40	IHGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408794146	HZLTWYBIXULJCJ-MDWZMJQESA-N	427.214	3.805	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408962528	YXYHMRFLXUTUAA-QFEZKATASA-N	434.448	3.502	50	40	IHGB	
CCCOc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1	408970300	FNFKJYQKEGQBKK-XDEFOSFOSA-N	439.556	3.844	50	40	IHGB	
COc1cc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)ccc1OCc1ccccc1	409322922	LUPHCKWLGNJVDV-QFEZKATASA-N	434.448	3.502	50	40	IHGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12	6507137	FGZDCYNLBZQQNL-UHFFFAOYSA-N	439.541	3.587	50	40	IHGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(O)cc1O	13562658	OEYYAXCSIMCGBK-WGOQTCKBSA-N	433.464	3.811	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C(Cl)=C\c1ccccc1	19363062	CRMDNXFHIRTPIG-PZMJATQJSA-N	431.367	3.840	50	40	IHGB	
C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1OC(F)F	97998923	LDEFZKHAHZIHJI-IZCBMXNHSA-N	429.423	3.831	50	40	IHGB	
CS(=O)(=O)n1c(Cc2ccc(N(CCCl)CCCl)cc2)nc2ccccc21	721142	SDDVQNAGYKKBEL-UHFFFAOYSA-N	426.369	3.719	50	40	IHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	9905844	ZXLYVDNWJBMFEX-UFFVCSGVSA-N	444.787	3.946	50	40	IHGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	15225891	LAOAFTFWWQOQQJ-PDGQHHTCSA-N	426.476	3.561	50	40	IHGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	15228792	HIWLMJNAUKQMPE-OLIBUNOHSA-N	439.269	3.950	50	40	IHGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cn1)[C@H](Br)C2=O	100749497	AVBXBGUDQFSJRL-HFBAOOFYSA-N	430.140	3.942	50	40	IHGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1)C(=O)O	408952847	WAZOTEJGCGHEJT-OHBSIKEHSA-N	431.242	3.811	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCCCC2)NC(=O)C[C@H]1c1cccc(Br)c1	409315646	NZZVEFIFWADHKO-HNNXBMFYSA-N	434.359	3.533	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1	16267353	SYSZPBSLRIEWBA-LSHDLFTRSA-N	442.368	3.689	50	40	IHGB	
N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1	26779400	DWGRZOHFUJQXPD-JXAWBTAJSA-N	440.434	3.849	50	40	IHGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1	59474310	NIIIMFYFXTYYDP-MFKUBSTISA-N	439.581	3.770	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	408609815	SCONHUFHMUKWMD-JVWAILMASA-N	435.911	3.728	50	40	IHGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	408881234	KICDTZXMONPVPR-YDZHTSKRSA-N	431.364	3.931	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2)cc1	409220436	ZMUQLMWWPHPHMV-OYKKKHCWSA-N	446.419	3.536	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(N)=O	409222373	CAFOIYBAGZCKGH-RIYZIHGNSA-N	433.386	3.514	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccc(F)c1	1433919	LDIBYKBFYDSVRG-VULFUBBASA-N	436.439	3.891	50	40	IHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccs2)nc2ccccc2c1=O	1477811	CWMGCAXPQKBGKF-YDZHTSKRSA-N	434.546	3.998	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	2232691	OFIOSFMOBSAUJD-DQRAZIAOSA-N	444.535	3.562	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)ccc1Cl	3035669	YFEJGIIMYCYEAH-FBCYGCLPSA-N	442.653	3.554	50	40	IHGB	
COc1ccccc1NS(=O)(=O)c1cc(NC=C(C#N)C#N)ccc1N1CCCCC1	9492272	ZBCINMBRXRMXIL-UHFFFAOYSA-N	437.525	3.829	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)CO2	13899102	JZSKAMPQTZXHAE-TYVMICBZSA-N	433.848	3.541	50	40	IHGB	
Cc1cccc(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c1C	17099149	MSVNDEBVIBOFBE-UHFFFAOYSA-N	434.569	3.971	50	40	IHGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851915	SOVSOMGHTRRJRN-NFBKMPQASA-N	431.540	3.619	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1	20232968	MVCPZKMITPXTNQ-LFVJCYFKSA-N	425.485	3.805	50	40	IHGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)NCc1ccccc1	101675009	MXFCPAVIYUAHMP-RDRPBHBLSA-N	443.507	3.567	50	40	IHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1	408758874	SYZGQBDGBWJFKL-MDWZMJQESA-N	434.233	3.854	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408851060	VKIABDJNELDQSF-KSEXSDGBSA-N	430.844	3.801	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408854928	BHHSNYJFYJXHAD-JJFYIABZSA-N	445.269	3.901	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1O	409122490	ZSFWGTKJURUXTD-JJIBRWJFSA-N	437.521	3.680	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	1083293	GXQDMSJLCOGGRU-BUVRLJJBSA-N	439.309	3.844	50	40	IHGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)cc1	9451120	RNBJEMFKJPFRMF-VZCXRCSSSA-N	426.501	3.798	50	40	IHGB	
Cc1cc(C(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)c(C)n1-c1ccc(F)cc1	96698201	SASIGQBCTJNHFG-QQTULTPQSA-N	443.475	3.684	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC(N)=O	408583863	XXQLFMYCBTWKDI-OVCLIPMQSA-N	431.286	3.785	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c(C)c1	408782912	LCDGYKXRSFAISC-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408859490	XIGSCXIFWAEBSR-JJFYIABZSA-N	445.269	3.901	50	40	IHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1	408924444	OFQQVGIIRUOLMF-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(I)o1	408999104	KEAKNWAGVJLJGF-APSNUPSMSA-N	443.291	3.736	50	40	IHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1	9336246	HSYQFHADLODPHQ-CQSZACIVSA-N	443.297	3.596	50	40	IHGB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	14361285	HHPVXNLLUSSHHC-SNDWWJHWSA-N	438.484	3.527	50	40	IHGB	
CN(c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	23375034	KBADWQBRQIDCBG-HZHRSRAPSA-N	427.913	3.929	50	40	IHGB	
CC(C)=CC(=O)Nc1ccc(CC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	72302672	ODLOBTIBRVUPKV-UHFFFAOYSA-N	431.945	3.727	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H](CBr)[C@@H]2C4)cc1	100478411	QEFDBEIHKLONII-ZRBHEUCUSA-N	430.320	3.746	50	40	IHGB	
CCOCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C	408707064	GPNVHLABNJKLLW-AFUMVMLFSA-N	430.936	3.693	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(N)=O	409226843	WDIFKYVNENHOQC-NTUHNPAUSA-N	434.279	3.802	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(I)cc2)cc1Cl	10118532	FMFXFPNEPUQABD-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O	20209560	GPBNQDAUESCOIM-XQNSMLJCSA-N	435.977	3.966	50	40	IHGB	
COc1ccc(C2=C(C#N)[C@H](N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1	20477710	UXJBQFQVMZJNLU-HXUWFJFHSA-N	437.297	3.955	50	40	IHGB	
C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CBr	118914085	JLZAWPXFXHUIRQ-OKIABRTNSA-N	441.406	3.654	50	40	IHGB	
Cc1c(Br)ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1C	408679945	FPMNAZYNBOFLCX-UPOJRHOVSA-N	443.135	3.575	50	40	IHGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2F)o1	409171348	ZNDAWDNIPHKIHV-REMUQMNCSA-N	438.415	3.571	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OCC	409323840	REPUDXGDELHQNM-UUYOSTAYSA-N	449.301	3.891	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	3154673	KPIJIEYTXRQFMN-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	8780722	GQUYRQNPPONRGW-KOEQRZSOSA-N	437.544	3.803	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O	9158761	PEAOTBKUSLHTGK-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240417	NYKKQBIQLHLFSB-TURZUDJPSA-N	442.563	3.777	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1O	32519916	CTZHLMBIFMEWTK-AWQFTUOYSA-N	449.330	3.672	50	40	IHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1)S(C)(=O)=O	409120489	WGQBQWCTVVRSCG-MFKUBSTISA-N	439.512	3.864	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	3422798	WRTNJIFULDDAOP-UHFFFAOYSA-N	442.255	3.530	50	40	IHGB	
CCN(c1ccc(NC(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1)C(C)C	6147066	SADANFZFMCJVBC-WQRHYEAKSA-N	435.480	3.739	50	40	IHGB	
COc1ccc([C@@H]2C[C@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1	8781682	QVAXYZOIXRDYQC-JKSUJKDBSA-N	444.841	3.607	50	40	IHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1	20210712	ULBZHRMPANMFNY-HKOYGPOVSA-N	445.585	3.711	50	40	IHGB	
O=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1ccc(Cl)cc1	23136080	BJFRMHWCAACPAM-UHFFFAOYSA-N	431.279	3.670	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1C	40040160	WCTNNWDOPBWPNI-ZMOGYAJESA-N	425.920	3.738	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)cc1C	408954971	NYSDYSNZKBKBKZ-NHFJDJAPSA-N	446.429	3.965	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccccn1	409237118	JDGZDLXJJIKPTJ-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
COCCOCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1668406	PWLBJHOROWTGGC-ZUZCIYMTSA-N	440.128	3.682	50	40	IHGB	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)C(Cl)=C(Cl)Cl	2142973	INHXHTLWOWASSD-UHFFFAOYSA-N	427.597	3.538	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O	3034365	SBGLJYCDOCHMDD-DNTJNYDQSA-N	427.682	3.654	50	40	IHGB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1	9381773	YVTHWUINUKBBGB-CYBMUJFWSA-N	448.545	3.755	50	40	IHGB	
CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)cc1	12413343	LCBIPMGNSVXRJF-RUZDIDTESA-N	428.467	3.799	50	40	IHGB	
CCCCCC(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	24832118	LKIUKQVSOODWQK-UHFFFAOYSA-N	428.920	3.996	50	40	IHGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1O	38534896	FGUXSGGJXRHPOD-WSDLNYQXSA-N	436.380	3.552	50	40	IHGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccn1-c1cccc(I)c1	64024613	WMJKIQIVSVMBIJ-UHFFFAOYSA-N	448.220	3.747	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004815	DTXNWFPBJHCOBR-FSJBWODESA-N	449.294	3.904	50	40	IHGB	
COc1cccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)c1	409185556	MKVCBJBEXWVPOT-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC	409379119	UJIOVFLEOHMPIK-MYSNOUKZSA-N	435.864	3.963	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2CCCC=C12	1057661	LLZKFVXCOHAUEZ-IDISGSTGSA-N	431.499	3.981	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1cncc(Br)c1	1241360	VQFOHBZNTLNUHH-QQTULTPQSA-N	449.308	3.568	50	40	IHGB	
COc1ccc(CCNC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1OC	1736828	HOUVXMVHQKDZMJ-UHFFFAOYSA-N	425.356	3.960	50	40	IHGB	
CCCOc1ccc([C@@H]2[C@H]3CN(CCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	8441933	SOVSOMGHTRRJRN-NZQKXSOJSA-N	431.540	3.619	50	40	IHGB	
Cc1ccc2c(c1Br)/C(=N/NC(=O)c1cccc(Br)c1)C(=O)N2	18037218	MTUUUGXHFILSCL-UHFFFAOYSA-N	437.091	3.606	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1	408707350	JGVXPBLOBJXJHY-UMYHVIPVSA-N	447.333	3.566	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c[nH]c2ccccc12	409014052	LWAZCGZDXYWBMJ-QESWDSMOSA-N	434.540	3.845	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OCC)c2)cc1OC	409327630	VIJQITDWTLRVNT-UUYOSTAYSA-N	449.301	3.891	50	40	IHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	409091902	VPSKMWAUYQSLIN-WNFQYIGGSA-N	446.179	3.775	50	40	IHGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1	409363996	MTLJTSRVFHDSBK-YUMHPJSZSA-N	427.460	3.601	50	40	IHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCl)c(=O)cc1[C@@H](NC(C)=O)CC2	1665284	ZNNQFQUDFHZHFE-KRWDZBQOSA-N	446.931	3.514	50	40	IHGB	biogenic
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)ccc1OCc1c(C)noc1C	3402132	QAGOJZUFOXPNGB-UHFFFAOYSA-N	429.860	3.607	50	40	IHGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	28214769	XGXZDYXLUWLMEL-VULFUBBASA-N	433.533	3.748	50	40	IHGB	
Cc1ccc(N2CCCC2=O)c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	72284111	OVXLUZNULYRHKN-UHFFFAOYSA-N	443.503	3.629	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1	100370336	SWBRSNXANTVISA-WGOQTCKBSA-N	427.460	3.859	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc1	409219372	MCGFOSCLYQCUDR-NCEOBYAFSA-N	445.431	3.986	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1	12275202	LEMOSZUDSGHOLA-VGOFRKELSA-N	440.908	3.770	50	40	IHGB	
CCOc1ccccc1-c1nc(CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)cs1	12787538	OECZRRSDZUXWOP-UHFFFAOYSA-N	439.537	4.000	50	40	IHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	19950290	BZKQZPSHCBHWFL-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(Cl)cc1Cl	32576978	WJMATWDFIVOIPV-MSXFZWOLSA-N	439.774	3.915	50	40	IHGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33828576	OWSRPAXJSVRIJL-SRZZPIQSSA-N	427.438	3.515	50	40	IHGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12	409015922	PNTHEMZABXQNJR-QMPKWXHSSA-N	440.931	3.881	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1	409049033	VPORPTWITHCUTM-QGOAFFKASA-N	443.459	3.964	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2c(Cl)cnn2C)cc1CN1CCCc2ccccc21	654638	HIEPTAYTAJYBRR-DHRITJCHSA-N	437.931	3.799	50	40	IHGB	
CCCc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2	2406097	XGMPVIGDGDJBGX-RUZDIDTESA-N	425.492	3.564	50	40	IHGB	
COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3sc(-c4ccccc4)nc3C)cc2c1	12740988	SUTDEZVNKGSAKD-UHFFFAOYSA-N	436.493	3.692	50	40	IHGB	
C/C(=N/NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1cccs1	20232720	ZWYSWKJHKVTBED-JWGURIENSA-N	427.551	3.868	50	40	IHGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O	30738389	SBLCIFMZTFIOPM-XXBHUDBYSA-N	447.922	3.616	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccn2)cc1Br	408721837	ADQWTYQYKBNQMG-KEBDBYFISA-N	439.107	3.935	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)n1	409220686	DIGCSFUURWWRDL-FBHDLOMBSA-N	425.470	3.812	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1	2651411	RCRPNZPHBNVHHH-NRFANRHFSA-N	435.911	3.971	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)cc4)c(=O)c23)C1	9970887	YJOBVACBSWDLKJ-JYEJNAJNSA-N	428.945	3.948	50	40	IHGB	
COc1ccc([C@H](Br)[C@@]2(Br)SC(=S)N(C)C2=O)cc1	13547345	YIUGBUUADOVCKP-JOYOIKCWSA-N	425.167	3.713	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cn(Cc2ccccc2)c2ccccc12	15974065	KPURNVUPLBEYBB-WKIKZPBSSA-N	426.476	3.981	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1	59166687	RNXWFDOMDJKXEW-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
Cn1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c(Br)c2ccccc21	95364996	AXBBOSJOWZOGSO-UHFFFAOYSA-N	439.269	3.671	50	40	IHGB	
C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100394169	UNNNFTAAKHFUGN-JPLSDMPVSA-N	427.136	3.526	50	40	IHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(Br)c1	408603931	HTHBTZAOYULQRQ-OAHLLOKOSA-N	433.331	3.706	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Cl)cc1	408613464	ZTWOBGIPUSAZIL-GMJSKMFWSA-N	431.920	3.683	50	40	IHGB	
Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1	408707937	MTFWZPRMXSLZRQ-FSJBWODESA-N	431.334	3.723	50	40	IHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1	408731429	MIZOUEXPQLOVCJ-XQNSMLJCSA-N	444.605	3.986	50	40	IHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1	408792370	AWVMFTCUKZKUTR-LDADJPATSA-N	431.448	3.529	50	40	IHGB	
Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)Nc3ccccc3)c3ccccc32)c1	821897	YWMFFDPLGBUVRH-HPNDGRJYSA-N	427.464	3.506	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=N/Nc1ncnc2ccccc12)c1cccs1	9493123	QUCKJOQDGILICO-RGJNQBSDSA-N	445.464	3.566	50	40	IHGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	9845926	SNRSARJEMYSKPW-PCLIKHOPSA-N	447.516	3.774	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1	12363696	NJMGGVSQHFESDE-FBHDLOMBSA-N	431.242	3.511	50	40	IHGB	
C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NNC(=O)c4ccco4)c23)C1	12639665	SQRGAVGSCVUHFE-LLVKDONJSA-N	442.566	3.840	50	40	IHGB	
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCC1	19952940	JJHVNINBYQSOPK-UHFFFAOYSA-N	439.459	3.947	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccn2)cc1Cl)Nc1ccccc1F	33599659	WHUNLKHZISLRRY-BRJLIKDPSA-N	426.835	3.656	50	40	IHGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	40137438	MBDPXQDFWNLSOR-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1Cl	102646033	FUIDUSONRYWKTG-ZZWKFIDSSA-N	447.554	3.931	50	40	IHGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(F)cc3)c3ccccc32)cc1	10233009	OQVSRGTTXBAHMT-FCQUAONHSA-N	438.462	3.875	50	40	IHGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(C)ccc(C)c2nc1Cl	12701082	BZCJTDHYQDCBJH-SFHVURJKSA-N	427.888	3.776	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1cccc(Cl)c1	20209422	CBGZLMPWIOSUIH-ZMOGYAJESA-N	441.940	3.508	50	40	IHGB	
Cc1ccc(SCCC(=O)NN[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1	102327937	BJESEZHIQVTOOY-OAQYLSRUSA-N	433.533	3.583	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(F)cc1	408608287	HAZZRCPEBZEPPR-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408995557	JZOIRYKDJSHQBD-CIAFOILYSA-N	445.501	3.733	50	40	IHGB	
N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1)C(=O)NC[C@@H]1CCCO1	409198170	YVWSNSXVUQCWTN-RRXSNJIPSA-N	426.900	4.000	50	40	IHGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)s2)cc1	2353341	CMQOMOKHBQWYDY-AWQFTUOYSA-N	446.579	3.792	50	40	IHGB	
Cc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3ccccc3F)s2)c1C	2637320	HMJHWSLHXOOFNL-UHFFFAOYSA-N	431.518	3.591	50	40	IHGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccccc1)C1c2ccccc2Oc2ccccc21	16001231	KBNGMLLFORJNMB-OALUTQOASA-N	443.528	3.750	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c(C)c1	16284781	HJHPSXBKTCSVGC-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	19954326	FPYAIDUQXDMVSE-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	100370333	YANZJGHBWYYVSX-MFKUBSTISA-N	442.431	3.759	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	408601914	CGSOVMXFYXDISX-JVWAILMASA-N	435.911	3.728	50	40	IHGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1	408923711	KQWXLLXRXFDRRR-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccccc1OC(C)C	408971269	FCYJPUGYUAMKEF-YYHBXHNPSA-N	439.556	3.842	50	40	IHGB	
COc1cccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)c1O	59459351	NYTSIOPPXRYCQH-SSDVNMTOSA-N	433.302	3.571	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(CCc2ccccc2)c2ccccc21	4178506	VEQYLBHFXQKHPQ-HHHXNRCGSA-N	439.515	3.881	50	40	IHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777905	UPDMGTICYKMZRT-XVVDYKMHSA-N	432.856	3.656	50	40	IHGB	biogenic
N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408962316	HEJOGAPYGICTHS-UFFVCSGVSA-N	443.213	3.770	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408762426	KITSOKUHQWQDDG-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC(=O)O	408790421	WBTMKXQYLKQTKV-RIYZIHGNSA-N	445.269	3.857	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(N(C)C)cc1	408603212	FCSBTBULOOXXSZ-OAQYLSRUSA-N	445.548	3.838	50	40	IHGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1	8683791	MNVWGPUDINEAEW-UHFFFAOYSA-N	444.582	3.845	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	1435277	LJNCLQDNDHTCIA-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	2438688	IUTQMFQUGUWGFQ-PXAZEXFGSA-N	432.307	3.861	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1OC(F)F	9373266	FJHAPAUZYKTUBZ-OPEKNORGSA-N	425.338	3.680	50	40	IHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc(C(C)(C)C)cc1	12040290	HXGXFAAPHYWUMU-UHFFFAOYSA-N	444.329	3.906	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	408863252	QOORAIANRQWNMH-XIEYBQDHSA-N	449.532	3.597	50	40	IHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	675024	YKGIPKZRQAMBIR-UHFFFAOYSA-N	432.101	3.904	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nc3ccccc3c2=O)cc1	1478350	KFPHLJWQILMKKN-MFKUBSTISA-N	444.516	3.637	50	40	IHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccnc1	1479194	PBCYUWXYLOHRAX-DHRITJCHSA-N	449.927	3.620	50	40	IHGB	
CC1(C)[C@]2(C(=O)Nc3ccc(Br)cn3)CC[C@@]1(C)C(=O)[C@H]2Br	8433138	AVBXBGUDQFSJRL-XFBWCDHKSA-N	430.140	3.942	50	40	IHGB	
Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccco1	13786291	JEBVKJOGSVNDNM-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C	28617614	QMYCDNUKTUYFGM-YSMPRRRNSA-N	432.480	3.570	50	40	IHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(Cl)cc1	39986438	ABSYTOAKMUGEQK-HAHDFKILSA-N	433.961	3.814	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	58900614	HHMDZTAKEJGWAS-LPYMAVHISA-N	433.380	3.519	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1NCc1ccco1)C(=O)NC1CCCCC1	408709076	WZBXAFSDTWAASN-FSJBWODESA-N	447.333	3.553	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1	408861565	CYKAYLBQUIBHKF-PXLXIMEGSA-N	427.551	3.656	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(N2CCOCC2)c(F)c1	409132695	JSPYCKBLFRPIRK-UUYOSTAYSA-N	430.530	3.514	50	40	IHGB	
Cc1n[nH]c2c1[C@@H](c1ccc(COc3cccc(Br)c3)o1)C(C#N)=C(N)O2	649031	CPHCHSFLORHICM-QGZVFWFLSA-N	427.258	3.871	50	40	IHGB	
CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	9358096	VOWOOHLEXSGDST-DEOSSOPVSA-N	445.910	3.935	50	40	IHGB	
C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)CCCc1nc2ccccc2s1	10673012	DPLHARVSRPGBQJ-ZDUSSCGKSA-N	439.566	3.877	50	40	IHGB	
Cc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccc3ccccc3n2)s1	18191226	ZAEOAVCMDVNLBS-UHFFFAOYSA-N	435.534	3.615	50	40	IHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2)cc1	19956764	MORKZXKUDNORKI-UHFFFAOYSA-N	431.583	3.958	50	40	IHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(=O)(=O)c1ccccc1	20060552	YLOYSBZEJFPVOF-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CCCOc1ccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	27224898	VIJVHFYQMCGOQJ-REWPJTCUSA-N	431.540	3.618	50	40	IHGB	
N#CC1=C(N)NC(SCC(=O)Nc2cccc3cccnc23)=C(C#N)C12CCCCC2	95117514	JSRUMAXUBXJYBF-UHFFFAOYSA-N	430.537	3.889	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	108097096	DJZDRVHVJFGYCU-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
CC(C)(C)OC(=O)N[C@H](CCI)CC(=O)OCc1ccccc1	224682602	LIKUDQMPCDIZIS-CQSZACIVSA-N	433.286	3.838	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(F)cc1	408606725	AKOHAJVKCVJYFM-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1cccc([N+](=O)[O-])c1	409206645	ZFFNGDNBHCOHCM-VXLYETTFSA-N	444.447	3.954	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OC)c2)c1	8811127	XBCMFHWMSLBQLZ-JFLMPSFJSA-N	445.475	3.927	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	9261990	KRKMZGOBKXKAQR-FOKLQQMPSA-N	444.285	3.544	50	40	IHGB	
CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	32909332	YPESLWVUFIGBJG-AWNIVKPZSA-N	434.471	3.666	50	40	IHGB	
COc1ccc(N2C(=O)CC[C@H](C(=O)NNc3nc(C)cc(C)n3)[C@@H]2c2ccccc2)cc1	40049268	FFOJSHCGGZPPGR-GMAHTHKFSA-N	445.523	3.730	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1OC	9289487	MEFMBDJTOBNOKQ-AWQFTUOYSA-N	427.682	3.518	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	9672642	YLRJWPNZGZXOJZ-HZHRSRAPSA-N	426.567	3.765	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1	19926286	GFJBDHVEIUTMKU-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(Cl)cc1	408787189	UGMDTCDELTZUQP-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC	818627	FYWZQLMWTDMGRI-MRXNPFEDSA-N	433.302	3.917	50	40	IHGB	
O=C1O[C@H]2[C@@H](Br)C[C@@H](Br)C[C@@H]2C=C1c1ccc([N+](=O)[O-])cc1	5328194	BLSXBJSPGFBGCG-XXSPCDMZSA-N	431.080	3.841	50	40	IHGB	
COc1ccc(N2C(=O)CC[C@H](C(=O)NNc3nc(C)cc(C)n3)[C@H]2c2ccccc2)cc1	40049266	FFOJSHCGGZPPGR-JTHBVZDNSA-N	445.523	3.730	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1	59038383	ZYNKNMHHHBEMCQ-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	101052534	UMCYFTQPHQBNGS-BCJJWKDGSA-N	427.136	3.586	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408742726	BVDDWHRMLFSCNR-DHDCSXOGSA-N	429.270	3.855	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1OC	408763055	HCKZIZCIRUZBGP-FOKLQQMPSA-N	444.285	3.544	50	40	IHGB	
O=C(N/N=C/c1ccccc1F)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1089004	HGXFDXKIRMNIST-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
Cc1c(O)c(CN(CCCl)CCCl)cc(CN(CCCl)CCCl)c1O	1639726	IXQCINWQNFZQFO-UHFFFAOYSA-N	432.219	3.965	50	40	IHGB	
COc1ccc(N2CCN(/C(N)=C(\C#N)C(=S)Nc3ccc(Cl)cc3)CC2)cc1	2571514	AHLYXZOWRKBMJH-FMQUCBEESA-N	427.961	3.604	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	46084975	PENHUDIMOPTSAU-RWEWTDSWSA-N	427.460	3.638	50	40	IHGB	
COc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1Br	408865188	BMXPDSJOYQHUBP-LSCVHKIXSA-N	428.080	3.690	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1C	409011100	DPODBKYCVWAVRM-HMHIXTCJSA-N	445.947	3.717	50	40	IHGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2cc(OC)ccc2nc1Cl	870405	MOJIOPVJUNRCGM-MRXNPFEDSA-N	434.279	3.760	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1OC	2776133	WQROXMHDWQENIZ-YDZHTSKRSA-N	429.473	3.580	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1OC	9289496	VWTMRGKOCCLIPL-AWQFTUOYSA-N	427.682	3.518	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1OC	9292882	ORCYMWDQFTVJSX-FQEVSTJZSA-N	431.496	3.768	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c([N+](=O)[O-])c1	9355272	ANRIVNIQSCVYPF-FBCYGCLPSA-N	442.653	3.554	50	40	IHGB	
O=C(NNC(=O)c1ccc[nH]c1=S)c1ccc(CSc2nc3ccccc3[nH]2)cc1	12760327	DVCFNFNRMFYIII-UHFFFAOYSA-N	435.534	3.988	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	23217826	KGTHAEUDXDRUBD-FMIVXFBMSA-N	434.246	3.677	50	40	IHGB	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4cccc(N(C)C)c4)cc3)o2)c1	30930235	QHELVYKBBPMINR-UHFFFAOYSA-N	441.491	3.853	50	40	IHGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C	33624054	HCDCRFINBCOJFR-LFIBNONCSA-N	428.510	3.829	50	40	IHGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1	59401484	AYDIHAAVEFAPKL-LPYMAVHISA-N	431.514	3.541	50	40	IHGB	
O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21)C(Cl)Cl	95686737	ZXOOSOHABUQWCT-STZFKDTASA-N	442.642	3.846	50	40	IHGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	409387766	QKESFIFWHGCNQJ-SSDVNMTOSA-N	449.305	3.990	50	40	IHGB	
CCCc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3cccs3)c(OC)c1)C(C#N)=C(N)O2	8854811	AAXAIYLIMMZJGK-GOSISDBHSA-N	436.493	3.870	50	40	IHGB	
COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C(\C=O)c1nc2ccccc2o1	16195923	VBPBBYCXELRYSR-JQIJEIRASA-N	441.509	3.663	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)o2)cc(Br)c1O	32573489	PFFTTZDQQLDAFZ-IDUWFGFVSA-N	432.068	3.673	50	40	IHGB	
Cc1c(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cnn1Cc1ccccc1	40143561	RJJAYEZBUWXBAD-UHFFFAOYSA-N	427.508	3.722	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)c1	103114659	QRUDAZXIICQKFD-SLQSZJTJSA-N	427.136	3.586	50	40	IHGB	
Cc1ccc(NC(=O)NNc2nc(=Nc3ccccc3)[nH]c(=Nc3ccccc3)[nH]2)cc1	408724376	DQOXKSWMFIOASF-UHFFFAOYSA-N	426.484	3.660	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCC#N	408777261	XHHJYBMEIGWPJO-XLNRJJMWSA-N	442.519	3.582	50	40	IHGB	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)c1C	585079605	LBLZBCXYEICDNM-QVDZNFLWSA-N	435.528	3.982	50	40	IHGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1	639189	YIKDONVKZLTBFM-RBUKOAKNSA-N	426.469	3.505	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1	716010	YLEMRCJEBOZSRP-QFIPXVFZSA-N	447.447	3.997	50	40	IHGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1	9215867	CFRXJMHJPAFYSG-XKZIYDEJSA-N	429.933	3.777	50	40	IHGB	
Cc1cc(C)n(CC(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)n1	9884285	OTGFFGXEIUEIJI-CIAFOILYSA-N	428.587	3.826	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1C	12250368	VTSVPLOUDKJVNV-GOSISDBHSA-N	436.493	3.922	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1OC	12275132	RFSWCKBQHVQKAG-SBUREZEXSA-N	440.496	3.876	50	40	IHGB	
N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)cc1	13400962	VVAOXIGDJYKLRB-KAMYIIQDSA-N	427.869	3.793	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Cl)cc1Cl	102966768	PAVWPIRJGIYBGD-LYBHJNIJSA-N	431.323	3.918	50	40	IHGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409327157	QKJPKISTPNBJQQ-XJKSGUPXSA-N	448.386	3.922	50	40	IHGB	
CCCCCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851891	NFAYGIBGEPPGDX-OFNKIYASSA-N	431.540	3.619	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O	32581128	IQAKAVHGBNNRDZ-XBSHTGLCSA-N	442.519	3.688	50	40	IHGB	
C/C(NNC(=O)c1cccs1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	112295802	PFMKEFWTDGWFNT-RGEXLXHISA-N	447.476	3.616	50	40	IHGB	
O=C(N/N=C/c1cccc2ccccc12)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408874111	YUBIPKIVQQNPGA-MNQDVBFDSA-N	441.940	3.797	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCc1ccc(C(=O)O)cc1	408965936	KHHFQLLDVGTSAX-CVKSISIWSA-N	447.491	3.802	50	40	IHGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409327154	QKJPKISTPNBJQQ-BBRMVZONSA-N	448.386	3.922	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1OC	2319366	FDXZDYNAJHEQGN-OEAKJJBVSA-N	439.541	3.522	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	8843177	NFDNNCCUTWWXAW-HZHRSRAPSA-N	435.977	3.944	50	40	IHGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	14185862	HCNMJUDFHMAWMS-WSDLNYQXSA-N	433.302	3.934	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(CC)cc1	20348282	LSVAKVGMOZKICJ-NRFANRHFSA-N	447.560	3.864	50	40	IHGB	
NNC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(I)c1	226333694	BRZDIHJCMYHWKI-SOFGYWHQSA-N	428.657	3.527	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OCC	409333900	KFUVQGOTGAWLMC-NHDPSOOVSA-N	437.290	3.725	50	40	IHGB	
CN(C)N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1C[C@H](c1ccccc1)CC2=O	1440864	OVDIXDDUODAAMS-HTAPYJJXSA-N	429.480	3.565	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(OC)c3)c2C)cc1	408777375	ZHFXNQKLWJMIRT-QQXSKIMKSA-N	433.508	3.972	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409143830	IOUPGBOZGCZIER-LSHDLFTRSA-N	427.800	3.930	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl	409239137	CBRNRXLZXNOVQC-RMORIDSASA-N	427.259	3.767	50	40	IHGB	
CC(C)CCOC[C@@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	8965085	OXEYJANPEZRLMM-UNMCSNQZSA-N	443.613	3.677	50	40	IHGB	
CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(N(C)C)cc1	9264735	RFZKUFIUMYNZKN-VMBKIOOXSA-N	446.551	3.576	50	40	IHGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(OC(F)F)cc1OC(F)F	12562586	LAOILJAWFYOXKX-OPEKNORGSA-N	425.382	3.792	50	40	IHGB	
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)COc1ccc(Br)cc1	14923509	PRAFQSOCSOJERB-FOKLQQMPSA-N	440.244	3.627	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccncc2)cc1	1479388	OVTQFMBDPCMODL-MFKUBSTISA-N	428.521	3.880	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c(OC)c1	2261695	DVBLAQCKYGBNFR-HSZRJFAPSA-N	443.503	3.635	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccco1	12859211	LBFXBCOHFMAITL-DHRITJCHSA-N	436.464	3.962	50	40	IHGB	
CCOc1cc(C(=O)N/N=C(\CCC(=O)O)c2ccccc2)cc(OCC)c1OCC	17095818	AGXJTGVBZXRLPU-HKOYGPOVSA-N	428.485	3.882	50	40	IHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	59503021	ZDFITKDCRUZJFT-DUYBAWCLSA-N	439.581	3.850	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409318264	UNPGREFEDSQQRS-QGZVFWFLSA-N	437.521	3.804	50	40	IHGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCCN1CCOCC1	16791102	XQIHUSQPJUYISO-VBKFSLOCSA-N	434.323	3.999	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCC#N	59333043	RPGRJKWUXDENAS-AQTBWJFISA-N	436.899	3.507	50	40	IHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1	6195036	LPWXPHITUAWWJQ-FUHWJXTLSA-N	441.413	3.587	50	40	IHGB	
COc1cccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c1OCc1ccccc1Cl	8443659	KYXXIJKURRVADG-GZTJUZNOSA-N	449.898	3.634	50	40	IHGB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(=O)NC1=S	9459817	JAZDUVMLODXDOW-JXAWBTAJSA-N	439.968	3.818	50	40	IHGB	
N#CC(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)=C1Nc2ccccc2N1	9635390	OXAIPUCMZSFPCE-UHFFFAOYSA-N	447.451	3.584	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccs2)c1O	32118571	JRVHKMGGAOGQDC-OMCISZLKSA-N	434.109	3.751	50	40	IHGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccncc3)n2-c2ccccc2)cc1	33089356	YAXVAOIPVFKTIT-MYYYXRDXSA-N	428.521	3.880	50	40	IHGB	
N#CC1=C(SC[C@@H](Br)CBr)NC(=O)[C@H](C#N)C12CCCCC2	102413756	WBACGTZMEVDTEY-QWRGUYRKSA-N	447.196	3.833	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1	409325607	ZZPIZWJREFRQSE-GOSISDBHSA-N	449.532	3.801	50	40	IHGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1	409360736	FQTALECPKIMGRW-XKZIYDEJSA-N	433.302	3.724	50	40	IHGB	
COc1cc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)ccc1OCc1ccccc1	9015369	AGLVSJMAJPCVGT-CVKSISIWSA-N	427.464	3.823	50	40	IHGB	
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12	9381561	WQDCRNOEHQJZSX-VIFPVBQESA-N	440.308	3.843	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccnc1	9511074	NHHKIQLJDUXOOF-OEAKJJBVSA-N	428.901	3.690	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OC(=O)c1ccccc1OC	10001863	YUOGXRYMRQQRDH-JVWAILMASA-N	443.459	3.949	50	40	IHGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)c1ccccc1	18173177	AHBYCNBQXXXGHU-BUVRLJJBSA-N	425.485	3.556	50	40	IHGB	
O=C(N/N=C\c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	28632487	BAJHJQRGFUNMDG-RMORIDSASA-N	431.399	3.946	50	40	IHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(OC)c2)c1	59266440	YPBIXMUQWXVSCE-VGOFMYFVSA-N	445.269	3.937	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	409381142	CXPFMOMRXOWMEA-AFUMVMLFSA-N	440.500	3.555	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12	9381719	DJXOYUCOJSKRJH-UHFFFAOYSA-N	430.555	3.536	50	40	IHGB	
N#C/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCO2	9631635	IENNBCWCXQIGJD-SFQUDFHCSA-N	434.452	3.902	50	40	IHGB	
CCOC(=O)[C@@H]1CCCN(CC(=O)/C(C#N)=C2/NC(c3ccc(Cl)cc3)=CS2)C1	12488938	POFKMEBRHUKOAC-JXLCAQNNSA-N	431.945	3.554	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1O	408750220	YEMMKRTXEMWJER-DJKKODMXSA-N	444.656	3.813	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	408820986	BCZHYTMDVVNWDM-JYRVWZFOSA-N	433.233	3.686	50	40	IHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	408995447	ABPIRPHRSGMQPD-PTZPRWATSA-N	427.570	3.752	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1Oc1nc(Cl)ncc1F	8860775	BXTAYVRKHMEVBT-YSURURNPSA-N	430.823	3.843	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)[C@@H]1COc2ccccc2O1	13598604	ANBGYYPCJGIJJP-SNINMWPCSA-N	427.254	3.999	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OCC)c(OCC)c2)cc1	20197976	WAJDJUZVWHPENO-BUVRLJJBSA-N	428.485	3.580	50	40	IHGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348218	IJYFNAXUBUQFOV-LJQANCHMSA-N	438.505	3.972	50	40	IHGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	60118019	RKCSFPMPBKNYPF-MSXFZWOLSA-N	434.839	3.867	50	40	IHGB	
CN(C)C(=O)[C@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	98047012	TVONSFUYJGNUKO-HFKOZYHYSA-N	431.994	3.760	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1	107689702	BNIVZWDCMMJRQI-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Cl)cc1	408613466	ZTWOBGIPUSAZIL-MMTYYTLLSA-N	431.920	3.683	50	40	IHGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)c1	409052883	IYSCGZVMULPAIH-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21	409058677	SNEYAKATTVFLBT-LGJNPRDNSA-N	439.431	3.939	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccccc3C(F)(F)F)CC2)cc1	12822249	UTYCPQRORIZFHS-UHFFFAOYSA-N	441.475	3.558	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	14134501	LQYOGDMELIVTER-ZMOGYAJESA-N	433.420	3.595	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	19937022	NDUJDELYXPBCDW-KOEQRZSOSA-N	437.496	3.971	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1	408971284	FIWPOLHVJWXNGR-PMFZIYJTSA-N	431.492	3.602	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(C)n(C)c2ccccc12	409010220	BHTXQDSLPUCGBC-TVYAFPLLSA-N	448.567	3.855	50	40	IHGB	
N/C(CCl)=N\S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1	2161497	SQBSPDXNRBVQOQ-UHFFFAOYSA-N	438.676	3.979	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	2354679	PQLJNLKQQXHYEM-DEOSSOPVSA-N	445.862	3.521	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Cl)c1O	20100871	ADQOCLUGQCHTAL-AWQFTUOYSA-N	427.682	3.736	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1	20198027	IHWGMYWGEBYTLI-FSJBWODESA-N	434.876	3.755	50	40	IHGB	
Cc1ccc(SCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1	32909621	YAJKGWZYBPTQQU-UHFFFAOYSA-N	434.443	3.753	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c1	58914754	KFXFXOJDCMGOTN-FMCGGJTJSA-N	427.844	3.706	50	40	IHGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccccc1	408798445	FFKHOTUDYIALAV-WFSQQTBHSA-N	429.270	3.697	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)ccc1OC	409323058	MUEMUDORZFEYCD-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1OC	9244223	UTRTWTFYHHLURF-GOSISDBHSA-N	433.424	3.610	50	40	IHGB	
O=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)F	100048691	NXKRSHBLGKAAMM-UHFFFAOYSA-N	442.055	3.585	50	40	IHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccc(OC)cc1	408995822	NPKIKKFJCHQKQL-LPYMAVHISA-N	430.530	3.833	50	40	IHGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	19952781	MMQNLKCJSJCWPZ-WGOQTCKBSA-N	444.516	3.580	50	40	IHGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(N(C)C)cc1	20033398	AKOSBCPYYZYJBZ-HEMYWOPUSA-N	449.555	3.678	50	40	IHGB	
CCc1ccc(C(=O)NNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1	22423222	PBLSLHWFTZCASC-UHFFFAOYSA-N	437.569	3.548	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]2[C@@H]4CBr)cc1	257353256	QEFDBEIHKLONII-LRMRMYDUSA-N	430.320	3.746	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(OC)cc2)cc1	409220205	ZHDAMQDBWNWRBB-OYKKKHCWSA-N	449.419	3.595	50	40	IHGB	
COC(=O)c1ccccc1OP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	2303533	KVJKZXCBRVYMLZ-UHFFFAOYSA-N	442.320	3.598	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2OC)cc1OC	3373857	MLDRQHYTXFPTFG-WGOQTCKBSA-N	448.475	3.624	50	40	IHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccccc3)cc2)CC1	20240501	FFZXDUZMZXVOKQ-ZXVVBBHZSA-N	428.536	3.781	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408708959	VSGRQGOKXVLNHY-LVCXCXRVSA-N	431.334	3.866	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OC(C)=O	408765372	PEQDSWFLPCHTQZ-LZYBPNLTSA-N	429.270	3.606	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1C#N	1106450	ATBUTDSOJGCWMK-CAOOACKPSA-N	440.297	3.904	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC)c1	1786110	PKLAJMGGPUCBJO-LFIBNONCSA-N	441.281	3.886	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	15227029	UCDQIRPNBXLOST-OCKHKDLRSA-N	435.480	3.846	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2C)cc1OC	28217713	XQDHWWOQXHEVIB-WSDLNYQXSA-N	433.302	3.860	50	40	IHGB	
CN(CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc2ccccc2c1	33737214	YKUSLZQSCOFXFA-XYGWBWBKSA-N	437.565	3.908	50	40	IHGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	36636081	YJQNKHSANSZHRK-YRNVUSSQSA-N	446.326	3.740	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(I)cc1	104750762	HKDJGQFEUHVPEM-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1	408759672	JIAPXTKTYZYYTB-RCCKNPSSSA-N	441.487	3.936	50	40	IHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2I)c1	12555968	QKLSDDMALRKEHL-UKTHLTGXSA-N	434.233	3.854	50	40	IHGB	
Cc1ccccc1C(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O	23109414	CSDVKCDLRPYROS-UHFFFAOYSA-N	430.291	3.587	50	40	IHGB	
COc1cc(/C=N\NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1cccc(F)c1	33338815	TXJPQJSRLVTPHO-VYYCAZPPSA-N	435.455	3.924	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	96610734	JAFLAIHMUWCIBA-XGHPXPSOSA-N	443.297	3.785	50	40	IHGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(I)c(O)c1	408843078	DCQLUJJXVOQGAH-BKUYFWCQSA-N	449.292	3.751	50	40	IHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C	408905700	CPIYSSBPPDPAHC-JAMLUQCHSA-N	425.529	3.935	50	40	IHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(N(C)CCO)cc3)cc2)n1	8775345	CRZJSTRERDTFFG-MFKUBSTISA-N	449.580	3.578	50	40	IHGB	
Cc1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1	12290049	OHXPLJSGXCFVHC-UHFFFAOYSA-N	438.311	3.555	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1	19954128	QCHHGWHNUMMARY-PCLIKHOPSA-N	431.517	3.909	50	40	IHGB	
Cc1cc(NC(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)ccc1Br	96477673	AJQGIUQFQXCDKU-AUWJEWJLSA-N	443.253	3.575	50	40	IHGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Cl)cc1	100539737	UINOFCFQLOYKAQ-RHIYVLOFSA-N	433.527	3.622	50	40	IHGB	
CC(=O)N/N=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1	408837174	ZPTDRTYJMUUUNE-ZVHZXABRSA-N	439.537	3.758	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3F)cc2)cc1	409128793	KXKDGJOBPFVNAV-BUVRLJJBSA-N	425.485	3.723	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409229302	MWUBOJSUULFTSQ-MSXFZWOLSA-N	436.867	3.513	50	40	IHGB	
CCOC(=O)C1=C2S[C@@H](c3cccs3)C(=O)N2C(N)=C(C#N)[C@H]1c1cccs1	2197275	CBSXUSHZSQLMDZ-ZFWWWQNUSA-N	429.548	3.692	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1C#N	4180291	XSZUUMJDUYZDKI-AFUMVMLFSA-N	430.420	3.818	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	6313504	VSLNKPLGXVWARC-JJIBRWJFSA-N	427.570	3.535	50	40	IHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19950135	NEVMNMPYBGJKTC-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
C[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1Cl	100837325	VHPIEQQDLDNKQQ-CIYZGXILSA-N	446.095	3.601	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C	408599617	XNFBSUZYVVQMRH-WSDLNYQXSA-N	437.412	3.683	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C)cc1	409007305	NQXLKHGMFXBFDO-DICXZTSXSA-N	446.507	3.757	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409253784	CBWDICLONNCHCQ-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1F	409375050	DUFLATDIOPFYMK-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	1263102	RUBFVGIEGXYXSM-UGSOOPFHSA-N	432.307	3.861	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3O)nc3ccccc3c2=O)cc1	4456301	CUQXWECRDYVUIY-QFEZKATASA-N	444.516	3.642	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(C)c1	16267313	IIENVNYRWWMQJU-LSHDLFTRSA-N	442.368	3.689	50	40	IHGB	
O=C(COc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58883290	LNIVPYXOGOKUAV-QFEZKATASA-N	437.883	3.887	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3OCC)c2C)cc1	58913750	DENQVMDQSAELSB-WGOQTCKBSA-N	448.523	3.980	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2F)cc1	58925270	DRAGMFJWPUFTBM-YDZHTSKRSA-N	445.541	3.850	50	40	IHGB	
COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2-c2ccccc2)c1	100372540	LQHKCRJDTJGPSO-OGLMXYFKSA-N	444.491	3.822	50	40	IHGB	
N#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408847142	PLWLAWOXOZAUET-NHDPSOOVSA-N	445.216	3.704	50	40	IHGB	
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NNC(=S)Nc1cccc2ccccc12	2793903	OVQANZYJHSMGMS-UHFFFAOYSA-N	427.839	3.877	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)cc1	59248786	UTPUGJUGBIOZOH-KAMYIIQDSA-N	446.301	3.823	50	40	IHGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3ccccc3O)c3ccccc32)c1	408542288	KIYMQHSAJPCKKZ-WGARJPEWSA-N	427.460	3.946	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)c(C#N)c1C	408546650	LEDAUDTYUKQWIQ-PDGQHHTCSA-N	449.532	3.660	50	40	IHGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	40138193	SYZVXIBFTVPWOY-FVDSYPCUSA-N	443.503	3.710	50	40	IHGB	
C#CCN1C(=O)/C(=N\NC(=O)c2ccc(C)cc2Cl)c2cc(Br)ccc21	101117056	CQGPRJXQICVVAE-XLNRJJMWSA-N	430.689	3.525	50	40	IHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	4155558	BEKLHZPWJXRMTQ-WMJRALALSA-N	427.284	3.937	50	40	IHGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9369811	LRBJQSJGVOTHNQ-OEIHEXACSA-N	441.409	3.945	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1	28213961	PVVLPPMOGILBIR-CVKSISIWSA-N	447.491	3.550	50	40	IHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1	28214384	FTYQJADWWKRNFY-RORVVXLTSA-N	445.519	3.781	50	40	IHGB	
COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br	33301390	GXQDMSJLCOGGRU-IWIPYMOSSA-N	439.309	3.844	50	40	IHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)c1	408745455	MKZAAALUCSJYDZ-SDQBBNPISA-N	449.204	3.759	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(OC)c1	408980896	UBNSNEWGFXOWPC-XBIXJXDHSA-N	431.492	3.715	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OC(C)=O	671292	HOZXBAQOSUTORK-ZOCVZFIWSA-N	425.268	3.845	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1	1056084	DJWMWSFIUHBZNB-FSJBWODESA-N	437.408	3.553	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cc(C)c(C)c41)[C@@H](C)CC3(C)C)C(C#N)=C(N)O2	1461541	VORAVIWEEKFZIF-UOXLDJKESA-N	431.492	3.570	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1	4196105	ZHUWYZFOBIGCFQ-WOJGMQOQSA-N	433.420	3.999	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	9190160	SMGCQBIEWTZMPH-ZMOGYAJESA-N	437.383	3.726	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	12659478	NPJDGKMOUISBPT-LFIBNONCSA-N	431.277	3.908	50	40	IHGB	
N#CC1=C2C=CC=CN2[C@@](c2ccccc2)(C(F)(F)F)N=C1SCC(=O)NC1CC1	14181617	HYOFSZSLYQGRAO-FQEVSTJZSA-N	430.455	3.989	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccco1	16712146	MZZGUCFDTXSXNM-PCLIKHOPSA-N	432.505	3.920	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	19951297	FITMWSVTLYYPJE-PCLIKHOPSA-N	436.537	3.551	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(Br)cc2)c1	408587762	HDRMTADBSFTCCK-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccc(OC)c1	408607737	UPDGAFURVJCJPL-HXUWFJFHSA-N	432.505	3.780	50	40	IHGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1	408882626	RHUMTSNHGIJYKO-LSHDLFTRSA-N	438.292	3.665	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)c1	409217716	AIKYHDXMICZHBQ-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1NC(=O)c1ccco1	9379400	VHRIXPWRZNBWNY-UHFFFAOYSA-N	428.448	3.706	50	40	IHGB	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NC1CCCCC1	13759602	KBPLZXKFEJGNKT-BMRADRMJSA-N	444.491	3.851	50	40	IHGB	
CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)N/N=C\c3cccc(Cl)c3)cc12	33350913	KAJQJTPYLNLTNK-MSXFZWOLSA-N	427.888	3.846	50	40	IHGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccc(Br)cc1	100929782	LQIKBYMWAKRJJB-WQRHYEAKSA-N	427.302	3.607	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c1	107978067	PJLLAHAXKUGIOQ-WSDLNYQXSA-N	425.397	3.645	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408907797	SEWXUBLVZVBZIF-SRZZPIQSSA-N	448.759	3.953	50	40	IHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	409201492	NSLQIRPXYCOJNN-CNHKJKLMSA-N	444.694	3.959	50	40	IHGB	
C/C(CC(=O)Nc1cc(Cl)ccc1C)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12462368	QEZPGJJMYHKZIX-WSDLNYQXSA-N	447.835	3.528	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Br)cc2)c(OC)c1	14923501	YQXURNUMLYFNOL-WSDLNYQXSA-N	434.290	3.601	50	40	IHGB	
COc1cc(C(=O)NNC(=O)Cc2c(C)nn(CC(C)C)c2C)ccc1OCCC(C)C	21635975	YYASIOOEICNHGK-UHFFFAOYSA-N	444.576	3.593	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@H]3C[C@H]4C[C@@H](C[C@H]2C4)[C@H]3CBr)cc1	100312768	QEFDBEIHKLONII-DEAJOFSTSA-N	430.320	3.746	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	408543940	QXLLDQSNUPTKRM-ROTLSHHCSA-N	447.447	3.519	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc([N+](=O)[O-])c1O	408848115	PSQQFPJOEMODGR-LFYBBSHMSA-N	447.831	3.915	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	795204	OZQXVZJEXAOKMD-IBGZPJMESA-N	437.521	3.804	50	40	IHGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1OC	2198217	DNQSKGZZPCOBTO-QFIPXVFZSA-N	443.503	3.749	50	40	IHGB	
C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc(Br)ccc1O	3663720	IVWIQUCBKWJDBT-XPAGJJBOSA-N	442.107	3.835	50	40	IHGB	
CCN(CC)CC(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1	39563632	GJQRKXFOKMVVGY-UHFFFAOYSA-N	428.334	3.844	50	40	IHGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C	408708859	UXCLVCBKSDRNNX-WYMPLXKRSA-N	437.327	3.648	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1OCC	408728055	VEKIFNZBIGMPTI-LPYMAVHISA-N	429.498	3.942	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2)cc1	408761825	HUZQZBFBMJKWOJ-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl	9263154	RAJAAPXNYNNWLA-QPSGOUHRSA-N	431.659	3.639	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(C2CC2)nc2onc(C)c12	40024959	WJNJXFJRMDGSTI-UHFFFAOYSA-N	433.493	3.915	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912262	GIMQONIASLSMSP-KBKYJPHKSA-N	444.322	3.562	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1OC	108206509	INCJYIUXXOTSOZ-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(I)o1	711101	HRMVYSQHSHQYBN-UBKPWBPPSA-N	439.036	3.720	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1OC	1210843	UHDIORDMVAAGMV-RIYZIHGNSA-N	445.269	3.555	50	40	IHGB	
C[C@H](Br)c1nc2ccccc2c(=O)n1CCCN1C(=O)c2ccccc2C1=O	4110035	BTDBWDAYKPFCEL-ZDUSSCGKSA-N	440.297	3.539	50	40	IHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2cccc3ccccc23)c([N+](=O)[O-])c1	12466421	VDXLXASPNPPESX-MFKUBSTISA-N	434.452	3.820	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	34719090	VKEPXALNSJDKIQ-UCQKPKSFSA-N	434.408	3.775	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C	408591976	WVDWDRDMLYRQDL-WSDLNYQXSA-N	437.412	3.683	50	40	IHGB	
Cc1c(Br)ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1C	408679940	FPMNAZYNBOFLCX-GFIYSBKGSA-N	443.135	3.575	50	40	IHGB	
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409131952	PYAQXMSIRQWTQV-GOSISDBHSA-N	432.318	3.586	50	40	IHGB	
CN(NC(=O)C(C)(C)CCl)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl	2155188	TYAZBYMWMQDEBW-UHFFFAOYSA-N	438.142	3.925	50	40	IHGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1	12292697	HTMLFPFQVVVMDU-ZDUSSCGKSA-N	438.311	3.635	50	40	IHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)c1ccccc1	28214391	NTVMSFYMHYHXLZ-NHVVDLMHSA-N	431.492	3.850	50	40	IHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)cc(Br)c1O	58900802	WAUDZPVJQKHKOZ-IFRROFPPSA-N	445.086	3.619	50	40	IHGB	
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CCCl)CCCl)cc1Cl	66129207	GNGWKBRASSHJEH-HNNXBMFYSA-N	436.792	3.590	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(N)=O)cc1	408962632	IPWUXPDRRBQLCI-KKMKTNMSSA-N	428.414	3.976	50	40	IHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	409012286	QBUWKOOSYZXLJC-PCLIKHOPSA-N	447.495	3.603	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	20215018	GQFONVYHTCKBDR-LFVJCYFKSA-N	439.537	3.545	50	40	IHGB	
O=C(Cc1ccccc1)N/N=C\c1cc(Br)ccc1OC(=O)c1ccco1	30731329	POWCCMXIWGOQBU-XKZIYDEJSA-N	427.254	3.954	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc(OC)c1OC	33533970	XBJRTORKESBLMK-DHVYKCEKSA-N	448.475	3.744	50	40	IHGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	13552341	WLYLWYAKDOHZSX-RGEXLXHISA-N	447.520	3.946	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1	16284768	XUNDTDDCGSHYNX-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	1639399	MPNKGKIPPKYMHS-MFKUBSTISA-N	435.867	3.759	50	40	IHGB	
Cc1ccc(OCC(=O)NNc2ncc(Cl)c(C(=O)Nc3ccc(C)cc3C)n2)cc1	27987590	KXLVJGABAAMPTG-UHFFFAOYSA-N	439.903	3.830	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1OC	9110110	DKUAHRQECQEXON-CQSZACIVSA-N	441.484	3.553	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	12789975	VNVGQMVQEONQLN-UHFFFAOYSA-N	441.456	3.761	50	40	IHGB	
O=C(CCCC(=O)N/N=C\c1ccc2ccccc2n1)N/N=C\c1ccc2ccccc2n1	18252431	TUKWHCVKDHPDOI-OTMNIUQESA-N	438.491	3.554	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(=O)(=O)c1ccccc1	19937021	LRMQOUCTQMXLIB-KOEQRZSOSA-N	437.496	3.971	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1	58912617	QIVDOLQITMBXPX-YDZHTSKRSA-N	439.313	3.945	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OC)c1OCC(=O)O	59249906	YFBAKPGPDPGTLZ-WQRHYEAKSA-N	436.464	3.831	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1C	409007570	PGIUPKOIGSWKPM-GATIEOLUSA-N	435.436	3.522	50	40	IHGB	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	409232792	PZHMZKKCNTUJMO-WJDWOHSUSA-N	442.313	3.840	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1Br	8812574	OIVCLXFIHDSUIS-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	22637321	HOZGFVRJTODFOU-HZVRNWRTSA-N	426.520	3.982	50	40	IHGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59920963	GTLKKPCWVIYZCI-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)NC1CC1	408610237	MWXXDVBBPLLXDV-NUGSKGIGSA-N	440.714	3.955	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	408785139	XZXDOAQZWJPSLM-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1[N+](=O)[O-]	1099832	PPLURZCBQVGGEF-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC	2241000	JBUAJHAUHTZMAM-QFIPXVFZSA-N	447.466	3.580	50	40	IHGB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccccc3)C2=O)c1	8819210	XGAXQTOAWBOHRZ-JXAWBTAJSA-N	427.551	3.820	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1ccccc1	13922771	VTNBSZRICYDMMT-WGOQTCKBSA-N	447.491	3.762	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	16349416	MJPHVVQONNELNB-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	408771035	DQJKAFRHYXVQJY-JXAWBTAJSA-N	439.357	3.771	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C	409373086	PFQDYQPZXZEXRX-XSFVSMFZSA-N	433.508	3.941	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3O)c2C)cc1	409392493	PSHDSEYGJUAHNV-AFUMVMLFSA-N	435.480	3.749	50	40	IHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	59104469	DVVPKOIMDAFKAU-ZXVVBBHZSA-N	425.488	3.872	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1092016	NOUODPCROWBIRJ-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
CC[C@@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc(F)cc1	2750763	MTHZJRJVOFAJMW-MBTVCVBTSA-N	425.245	3.771	50	40	IHGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)C(=O)NCCc2ccccc2)c1C	223164095	BDNVBNYSGMMHDP-DICXZTSXSA-N	436.943	3.865	50	40	IHGB	
N#CSc1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1Cl	408529082	GWUDGMPEHDNDHJ-RVDMUPIBSA-N	426.885	3.530	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl	408968254	VADRROXEWSQKOW-PGGKNCGUSA-N	438.242	3.710	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2cccc(C)c2)cc1	409067321	XMWWDZMMBYQMII-PCLIKHOPSA-N	435.549	3.645	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OCCC)cc2)cc1	4113768	IOICUMUOXCEIET-RPCRKUJJSA-N	438.528	3.645	50	40	IHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	10233002	OZLUYPOHUXGUAT-HMMYKYKNSA-N	435.471	3.975	50	40	IHGB	
COc1ccc(CCC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1	12516487	OXQSMNIKUZEWLR-UHFFFAOYSA-N	426.476	3.699	50	40	IHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1	20213523	UBWRUCOUMSMLBN-UHFFFAOYSA-N	442.585	3.985	50	40	IHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)c1C	25479797	OPSMEZMPNDMUKP-GOSISDBHSA-N	431.492	3.784	50	40	IHGB	
O=C(CCCC[C@H]1CCSS1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1	225759440	OYHVHCQGPXPQEH-INIZCTEOSA-N	433.599	3.567	50	40	IHGB	
NNC(=O)/C=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226341634	IVZAQSHDGKJWDT-ZZXKWVIFSA-N	426.654	3.593	50	40	IHGB	
COc1ccc(C(C)=NNC(=O)CNc2ccc(I)c(C)c2)cc1	254823252	ARZSTRVNZDBGBZ-UHFFFAOYSA-N	437.281	3.561	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(F)cc1	408608147	GOAJUERVATWBDV-LGJNPRDNSA-N	439.418	3.641	50	40	IHGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1	408999281	QMBPCLUTBWDASZ-GOTSBHOMSA-N	431.492	3.628	50	40	IHGB	
CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cc(OC)ccc1OC(C)=O	705660	FEGGPYQCESYHGX-FNLSEGDXSA-N	449.301	3.691	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N3C2)c(OC)c1	2219540	CPMXWUOOAAJMOS-QGZVFWFLSA-N	437.521	3.932	50	40	IHGB	
O=C(NNC(=S)NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12	9506856	WUMHBSZMKTYJNZ-UHFFFAOYSA-N	427.533	3.648	50	40	IHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C	9605631	AXIGNEGUWBDIQD-GZTJUZNOSA-N	449.429	3.859	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1COc2ccccc2O1	13880638	GPPTXVXBBLKQIE-IBUCALKDSA-N	427.800	3.798	50	40	IHGB	
N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)N=C1SCC(=O)NC1CC1	14181619	HYOFSZSLYQGRAO-HXUWFJFHSA-N	430.455	3.989	50	40	IHGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	17877667	HKYUBCGEISUWJU-JTQLQIEISA-N	436.693	3.651	50	40	IHGB	
COc1ccc(N2C(=O)CC[C@@H](C(=O)NNc3nc(C)cc(C)n3)[C@@H]2c2ccccc2)cc1	40049267	FFOJSHCGGZPPGR-GGAORHGYSA-N	445.523	3.730	50	40	IHGB	
C/C(CC(=O)Nc1cccc(C)c1)=N\NC(=O)COc1ccc(C)cc1Br	102636242	YGKCEQSRKAGHAW-HZHRSRAPSA-N	432.318	3.966	50	40	IHGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1	409007519	XHQOZSQBWABZBZ-YDZHTSKRSA-N	432.293	3.591	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	409197070	VGDMVCNHDVQCJG-RBONGCSZSA-N	448.567	3.633	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I	409249001	RWPKURSPIHPMGK-JAIQZWGSSA-N	426.229	3.522	50	40	IHGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCc2ccccc2)cc1	642489	JQADFBCXWKQGIS-HXUWFJFHSA-N	432.505	3.823	50	40	IHGB	
COc1ccc(CC(=O)NNC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1	9849683	ISZSIGGHKHPCKX-UHFFFAOYSA-N	431.492	3.530	50	40	IHGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])cs2)cc1	29570607	NHIWAFVLBBJMJG-UHFFFAOYSA-N	440.481	3.682	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)c(C)c(C#N)c2=O)cc1	409068099	KDQSBUJHNWOIRW-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1	409262022	BXOAYMZKDCOJEE-QDCCHXAWSA-N	431.467	3.908	50	40	IHGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC	409379118	UJIOVFLEOHMPIK-BTXKWLAHSA-N	435.864	3.963	50	40	IHGB	
C/C(=N\NC(=O)C(=O)Nc1ccccc1F)c1ccc(OC(=O)c2cccs2)cc1	9303698	RQHYEFPLDBEUFJ-ZMOGYAJESA-N	425.441	3.585	50	40	IHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(Br)c1	20086255	ZFYAWIISEUTQSB-INIZCTEOSA-N	426.245	3.658	50	40	IHGB	
COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3ccccc3O)o2)c(C)c1	68738366	PRGZWJWRQWSTNJ-QRVIBDJDSA-N	440.525	3.510	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	408780166	UJTXMRUHCUOVIP-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1	409081241	KFFFNSIFZQWZMS-YSURURNPSA-N	427.844	3.900	50	40	IHGB	
O=C(CSc1ccccn1)N/N=C/c1cc(Br)c(O)c(Br)c1	1499944	BCELYSHNXIMQDN-CNHKJKLMSA-N	445.136	3.555	50	40	IHGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)[C@H](Br)C2=O	8433139	AVBXBGUDQFSJRL-LYRGGWFBSA-N	430.140	3.942	50	40	IHGB	biogenic
CCOc1ccc(O)c(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1	12411647	BIGCSJQRZBQBSP-WBRUJLFDSA-N	435.505	3.774	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)s1)c1cccc(I)c1	59514008	HVZSVMRUKAQEAG-VIZOYTHASA-N	435.084	3.879	50	40	IHGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)N1CCOCC1	408765939	RWYAHYMISPKYMA-RVDMUPIBSA-N	431.275	3.978	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1OC(C)C	12401651	GZPLIWXLCUPPLO-YDZHTSKRSA-N	439.541	3.520	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1	28218209	XPKOJUMOZZHSMG-WPWMEQJKSA-N	426.476	3.607	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OC(C)=O	408745927	AXWAEDDSIOBXCX-PXNMLYILSA-N	429.270	3.606	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	408778182	QHRUZSNCDJSESK-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1C	408828390	DUURYWWGWYJOKE-AQTBWJFISA-N	448.523	3.507	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1	408838571	YDCMRZYNISVITR-PCLIKHOPSA-N	436.537	3.551	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccncc2)cc1	1474486	CGTFMVGVMZSMNJ-ZMOGYAJESA-N	432.509	3.782	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1OC	2311099	RSCGBTDCVSQXTG-INIZCTEOSA-N	437.521	3.723	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2)cc1OCC	19636042	YIEGHAAAEYDPAU-PCLIKHOPSA-N	442.512	3.509	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)cc(OC)c2)cc1	408876698	QBJIVCVUROPLJN-NTUHNPAUSA-N	434.233	3.854	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1	409313163	NCJRPBLCTNGUAY-HXUWFJFHSA-N	435.549	3.782	50	40	IHGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	889178	ULMJVKNBBDIBOO-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2[N+](=O)[O-])cc1	1421655	ORPLJSZGGRIEDU-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O	8780960	XNFCXKRQCGODPW-ZSOIEALJSA-N	445.269	3.857	50	40	IHGB	
N#CC(C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)=C1Nc2ccccc2N1	9507669	QRUSYUVOEMXGBK-UHFFFAOYSA-N	447.451	3.584	50	40	IHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	11692110	RMSNTLZJDLWMFE-MRCUWXFGSA-N	445.479	3.716	50	40	IHGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)cc1C	13799570	RIOFHTCXIMRZEP-HMMYKYKNSA-N	430.508	3.916	50	40	IHGB	
Nc1ccccc1C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	32116984	OJVNNCYXTIAJKK-FBHDLOMBSA-N	429.230	3.963	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(C)c1	33681354	CQJZMGOXLVYWQG-MOSHPQCFSA-N	448.548	3.904	50	40	IHGB	
Cc1cc(Br)oc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1	40140360	QZLDSJPIFDCKRJ-UHFFFAOYSA-N	429.270	3.858	50	40	IHGB	
C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917302	YAAWPSZJRRVXAO-KOHNQOKBSA-N	448.542	3.825	50	40	IHGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)s1	408732814	ZPCYOSMYPSUWNB-LPYMAVHISA-N	426.546	3.930	50	40	IHGB	
O=C(N/N=C/c1ccc(Oc2ncnc3ccccc23)cc1)c1ccc2c(c1)OCCO2	2295763	BXUWUMUPEILZMB-MZJWZYIUSA-N	426.432	3.957	50	40	IHGB	
N#CC(C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1)=C1Nc2ccccc2N1	2623265	ZUHMOINZTNOZSW-UHFFFAOYSA-N	428.404	3.531	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	3658117	CBJJGOLIBVFQCJ-NUSWBYGWSA-N	442.519	3.682	50	40	IHGB	
O=CNNC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1	3765687	VCYMLSXKBJPARG-UHFFFAOYSA-N	431.399	3.559	50	40	IHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(Br)cc1	9336245	HSYQFHADLODPHQ-AWEZNQCLSA-N	443.297	3.596	50	40	IHGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C\c1c(C)n(C)n(-c2ccccc2)c1=O	13305668	GOSNYJWEJRRMAA-YSMPRRRNSA-N	434.540	3.619	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)NC1CCCCC1	13770456	VUTHWKCWAOVYRF-JQIJEIRASA-N	432.455	3.982	50	40	IHGB	
COc1ccc(CC(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc(O)c(OC)c3)cc2)cc1	32578355	BZFQYTUBLYMJGG-JVWAILMASA-N	447.491	3.745	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59678617	FEFXZIABLISCJC-BHGWPJFGSA-N	439.855	3.908	50	40	IHGB	
Cc1ccc[n+]([C@@H]2[C@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)c2ccccc2)c1	100685340	SEORTYATEUXONQ-CAOCKLPOSA-N	437.528	3.517	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	108993439	ASQPZODFOWMRFI-OYKKKHCWSA-N	433.420	3.565	50	40	IHGB	
Cc1c(Br)ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1C	408679942	FPMNAZYNBOFLCX-IGYYUICOSA-N	443.135	3.575	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1[N+](=O)[O-]	408719797	LTAKWUSDZRKYKT-DJKKODMXSA-N	438.303	3.749	50	40	IHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC	1452853	JXMYBTIYKMOZKS-HSZRJFAPSA-N	443.503	3.831	50	40	IHGB	
N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	3075239	PXADFEKUGQTVRW-PKTZIBPZSA-O	441.467	3.585	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1	8861427	ADQQJRHBYQFMBU-MFKUBSTISA-N	447.516	3.959	50	40	IHGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1)c1ccn[nH]1	9165029	DVEGFWLPKIVVOI-GFRZKHSJSA-N	446.338	3.896	50	40	IHGB	
CCOc1c(Br)cc(C=NNC(=O)COc2cccc(CC)c2)cc1OC	16162246	SLMIDORPARNVIR-UHFFFAOYSA-N	435.318	3.948	50	40	IHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915810	HYUCQEUMXRNCQN-CYGNYLSHSA-N	448.932	3.716	50	40	IHGB	
O=C(NNC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccc2c(c1)OCCO2	69950357	AISFAQAOQGKPJN-UHFFFAOYSA-N	427.460	3.536	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1cccc(Cl)c1	408807929	PGBKXEDJVVVKDO-RKPWUKJMSA-N	439.899	3.560	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)cc1	408815923	TUBPFIRQHMJQNH-RGVLZGJSSA-N	436.103	3.988	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(I)cc2)c(OC)c1	408870047	ROYQWBZAIJDZFD-OQLLNIDSSA-N	448.260	3.532	50	40	IHGB	
C=C[Si@]1(C)O[Si@](C)(c2ccccc2)O[Si@](C)(c2ccccc2)O[Si@](C)(C=C)O1	2002125856	YFYDPUWQTWJMDA-KMKVIZFGSA-N	444.784	3.619	50	40	IHGB	
C/C(=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)c1ccccc1	8780710	HNOZHURAVGPQTF-BKUYFWCQSA-N	442.273	3.756	50	40	IHGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cc(Br)ccc3O)c2)n1	8781362	ZLXZMRMVVCNDOG-SSDVNMTOSA-N	427.302	3.780	50	40	IHGB	
O=C(NNC1=C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1	12429032	KEXGFZSFEAUHGN-UHFFFAOYSA-N	443.275	3.669	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc(OCC)c1OCC	14253082	QGXKJEXHHGSHIA-FQEVSTJZSA-N	444.553	3.669	50	40	IHGB	
Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)COc1cccc2ccccc12	17877610	XVOUZCXLZMRZSC-UHFFFAOYSA-N	438.281	3.762	50	40	IHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c1	28213678	WRIPTLIPRZJLCV-WYMPLXKRSA-N	427.570	3.590	50	40	IHGB	
O=C(Oc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1Cl	32109235	LCSGTNRENSYYCG-CLVGQAISSA-N	436.851	3.849	50	40	IHGB	
CN(C)c1ccc(/C=C(C#N)/C(O)=N/c2nc3ccc(S(C)(=O)=O)cc3s2)cc1	41120818	IRIGPMCYKRGXRN-GXDHUFHOSA-N	426.523	3.961	50	40	IHGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)cc(N(CCCl)CCCl)c1	98044756	HNKZRXTYZZIRDK-QGZVFWFLSA-N	430.401	3.635	50	40	IHGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc2ccccc2c1	101960382	ZRNLXFCLPUGXJA-JVWAILMASA-N	432.480	3.698	50	40	IHGB	
Cc1ccc(C)c(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1	408708917	VITLJEVOIJZJQB-SSDVNMTOSA-N	431.334	3.784	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1	408906827	IRMRYHPLWABEFD-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1	409117104	NKMUQBUAPXCWIZ-LFVJCYFKSA-N	437.521	3.593	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1OC	409337554	YYQKXTIZDVSCEW-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32	1460201	PGTBGQMPESGRCD-AREMUKBSSA-N	437.455	3.707	50	40	IHGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)OC	101675809	HETOGPHMGSFKQB-PXNMLYILSA-N	430.464	3.646	50	40	IHGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cc(C)ccc3C)cc2)c1	674926	MWWQQKVXPQRTMC-UHFFFAOYSA-N	431.492	3.704	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc(OCC)c1OCC	12885761	DZVNMTYWYSRCHL-UHFFFAOYSA-N	429.448	3.578	50	40	IHGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	13576216	ZKSFMASQLANRIT-QIWJOQEQSA-N	446.594	3.744	50	40	IHGB	
CCCc1c(OC)c2c(c(OC)c1[C@H]1C(C#N)=C(N)OC3=C1C(=O)CC(C)(C)C3)OCO2	15084749	IHCGGYYQBUIXLW-MRXNPFEDSA-N	440.496	3.836	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C	408598786	JRHZABHCVDTKRX-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408977525	WJZHQKLKZFYGGN-LSHDLFTRSA-N	427.800	3.930	50	40	IHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	408998723	SAEVKZMLEMWNOM-LPYMAVHISA-N	433.380	3.519	50	40	IHGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)c(C)c1	409231820	MPIFCFQXRVOXSZ-FOKLQQMPSA-N	438.509	3.691	50	40	IHGB	
COCCOCCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1668404	PWLBJHOROWTGGC-BONVTDFDSA-N	440.128	3.682	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1	8452171	FHRFZHBQPGFHER-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(OC)cc2)C3)cc1	21965585	KIMMWAWJCMURBU-VULFUBBASA-N	429.476	3.766	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(C(N)=O)cc1	408677138	PQAIMLOVMRHUMU-JVWAILMASA-N	429.524	3.557	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1cccc(Cl)c1	408900219	UEGLDMZTDCEEEK-GXDHUFHOSA-N	427.869	3.793	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1	409037937	OIECURNIYRVPPM-DTQAZKPQSA-N	430.460	3.697	50	40	IHGB	
CC(C)n1cc(/C=N/NC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)c2ccccc21	409151585	HGOUDIOQMILLNF-CCVNUDIWSA-N	446.551	3.746	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccc(F)cc2)cc1	409185735	PFMSONGBOIZLLH-LPYMAVHISA-N	431.514	3.541	50	40	IHGB	
Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1	3182595	GBMNALDMEAYJBO-QYQHSDTDSA-N	446.894	3.768	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(Cl)c(Cl)c1	32576965	GQGHVPHSWNDLLH-MSXFZWOLSA-N	439.774	3.915	50	40	IHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccs1	57597818	CDTJRSFWDWWXMI-LPYMAVHISA-N	447.969	3.743	50	40	IHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O	109291640	JFCOMSKPAJLKJB-DJKKODMXSA-N	430.398	3.586	50	40	IHGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc3c(c2)OCC(C)(C)CO3)cc1OC	225369455	XUQLXVWOPAPBQP-YBFXNURJSA-N	436.508	3.767	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)OC(C)C)cc1	10000653	ZAWPUGOKKNVIOA-SSDVNMTOSA-N	449.301	3.552	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1	100037198	YAERSCVLMWWJML-LPRRCHTOSA-N	433.895	3.806	50	40	IHGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNC(=O)c1ccc(Br)cc1	101067026	FSFVNMWSXKFKPS-MHWRWJLKSA-N	433.693	3.644	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1)c1ccccc1	408976648	BMMHUTLAMXURSK-WWJLXRQJSA-N	427.501	3.810	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1OC	2241001	JBUAJHAUHTZMAM-JOCHJYFZSA-N	447.466	3.580	50	40	IHGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O	9347721	SXVKWALWIZXUOE-XYOKQWHBSA-N	429.263	3.755	50	40	IHGB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	10040044	MESPTKHVLWQFIW-KQFRHJRUSA-N	437.283	3.806	50	40	IHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	20209113	LPFXFTOIBYUIHI-OEAKJJBVSA-N	431.558	3.514	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc(Br)c1O	59483273	ZYGKXMSMYFHZIT-SSDVNMTOSA-N	448.317	3.766	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)c(C#N)c1C	408546662	LVTBASOQJYHERD-MKMNVTDBSA-N	440.477	3.546	50	40	IHGB	
CC(C)(C)OC(=O)NCC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	2056107018	GXRXVJRSZGUUIF-UHFFFAOYSA-N	427.617	3.657	50	40	IHGB	
CO[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431179	VSTJWUMERKEGGP-HCXYKTFWSA-N	449.297	3.594	50	40	IHGB	
O=C(N/N=C/c1ccc(F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	8935214	KEMSYZWGJYJKLF-JPCQLYNOSA-N	432.411	3.655	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)n1	9283574	HBOBKBSYMLWDLZ-DHRITJCHSA-N	443.536	3.584	50	40	IHGB	
Cc1nc(CSc2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cc2)cs1	12752655	PQVARMOTXSMLPY-UHFFFAOYSA-N	441.534	3.590	50	40	IHGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	17877663	HKYUBCGEISUWJU-SNVBAGLBSA-N	436.693	3.651	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O	83327017	BLODZJGNJRKSPT-UKWGHVSLSA-N	430.760	3.886	50	40	IHGB	
CCc1sc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-]	1085454	VDMGHWNNFPTPPH-SVXRXWARSA-N	426.292	3.899	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(I)cc1C	13882094	MOXKSFMKNYXORQ-HYARGMPZSA-N	449.292	3.663	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)cc(I)c1OCc1ccccc1	33410036	WRDBBCFJDXKKSV-NVNXTCNLSA-N	448.260	3.661	50	40	IHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1ccco1	408865168	BFTFSIYNNPSDDM-FBCYGCLPSA-N	427.269	3.791	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1	409046102	INYZTSJOZKXGKS-KGENOOAVSA-N	441.487	3.936	50	40	IHGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccc(C)cc2)c([N+](=O)[O-])c1	1085015	METOZFYHBYNKDP-NRFANRHFSA-N	435.436	3.737	50	40	IHGB	
CCOC(=O)C1=C2S[C@H](c3cccs3)C(=O)N2C(N)=C(C#N)[C@H]1c1cccs1	2197271	CBSXUSHZSQLMDZ-DZGCQCFKSA-N	429.548	3.692	50	40	IHGB	
CC(C)c1nc(SCC(=O)NNC(=O)c2ccco2)c2c3c(sc2n1)CCCC3	12640068	RLXSEXWPVVERPO-UHFFFAOYSA-N	430.555	3.840	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)[C@H]1COc2ccccc2O1	13598607	ANBGYYPCJGIJJP-VCYKRWNGSA-N	427.254	3.999	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	19953128	OMROJRRAIVLXMC-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CCOC(=O)COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(NC(C)=O)c1	107899486	RDNQANKNTNXWBM-AFUMVMLFSA-N	433.464	3.504	50	40	IHGB	
NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1	226326859	IUZCXIVPFUIOGS-UHFFFAOYSA-N	437.064	3.781	50	40	IHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409157074	PUTXPCFOTAZKLJ-QDCCHXAWSA-N	431.467	3.908	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC	1471947	QSGJUIHBTAZLQD-HSZRJFAPSA-N	443.503	3.635	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)cc1OC	2311098	RSCGBTDCVSQXTG-MRXNPFEDSA-N	437.521	3.723	50	40	IHGB	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)c1	13134840	WOGLRAVPYSLTLC-UHFFFAOYSA-N	448.479	3.503	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1	28214436	XMBOSISZPMWHAG-NHVVDLMHSA-N	447.491	3.551	50	40	IHGB	
Cc1c(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)sc(N)c1C#N	408728917	AMMPBAFNEAVBEZ-UHFFFAOYSA-N	435.465	3.762	50	40	IHGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Br)cc1	408862273	XVFMFZSTARIRKF-OEAKJJBVSA-N	444.329	3.604	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1	408980168	PRAGFFUKLXIVOA-INKLHFNDSA-N	427.551	3.617	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c(OC)c1	17097337	IYXZTGNXOPPDOF-LFYBBSHMSA-N	431.242	3.741	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)C2CCCCC2)cc1	33744448	CSOJZQPHQUUZCB-LFVJCYFKSA-N	427.570	3.777	50	40	IHGB	
Nc1nonc1C(=O)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	35145623	YXXCWMCOZFBPAK-NYAPKIOYSA-N	429.267	3.726	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1ccccc1	58650347	FPVIOOCPQVDOMH-ZDXRRBIGSA-N	432.476	3.954	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)cc1	408708377	PRAHLLUFXBRALV-MFKUBSTISA-N	432.480	3.845	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	874113	QNLZXPVSRWBBHE-GHRIWEEISA-N	448.910	3.699	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1O	1087019	GATZFTUGRXCAKW-WSDLNYQXSA-N	443.301	3.562	50	40	IHGB	
CN(C)N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1C[C@@H](c1ccccc1)CC2=O	1440865	OVDIXDDUODAAMS-VGSWGCGISA-N	429.480	3.565	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccccc2)cc1	2341457	BTANDTAIJDBEPZ-BUVRLJJBSA-N	430.537	3.824	50	40	IHGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1	9127466	VJISYPQFTQIWLR-CXUHLZMHSA-N	432.307	3.826	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(Br)c1	13844230	KITZNAMKRCLIKI-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2F)cc1	16309453	SSVJCFRKOZZZLI-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1	20243831	RINVCSFLQXZIPA-WSDLNYQXSA-N	434.334	3.768	50	40	IHGB	
CC1(C)CC2=NC(SCC(=O)N3CCOCC3)=C(C#N)[C@H](c3ccco3)C2=C(O)C1	102889788	NOLPPDWVMRVETR-LJQANCHMSA-N	427.526	3.777	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)c1	408590301	ORDHQRLOKSSLQH-VULFUBBASA-N	447.491	3.692	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)c1	408692132	DZPNRHMMOPXJSQ-MZJWZYIUSA-N	436.487	3.972	50	40	IHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	409123055	DKWOKRKHRTXTLY-INIZCTEOSA-N	431.290	3.662	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCC	409129774	SLOTVCWNVBQGQN-GOSISDBHSA-N	446.345	3.976	50	40	IHGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	409135386	UWBIXAHXXIEJRL-IBGZPJMESA-N	441.281	3.784	50	40	IHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(I)c1O)c1ccc([N+](=O)[O-])cc1	409216991	MXOAQUCTOJVERF-WZUFQYTHSA-N	437.149	3.877	50	40	IHGB	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1cccc(I)c1)Nc1ccccc12	2344737	ODZBWXUVEIIPTK-KRWDZBQOSA-N	437.244	3.750	50	40	IHGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1	2445464	HDBZRFHSXXHBDS-ZVHZXABRSA-N	439.903	3.712	50	40	IHGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1	12138177	VOLADEAPVINMLF-UHFFFAOYSA-N	434.492	3.601	50	40	IHGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	20595028	CSXNQZINQIKNDY-ROMGYVFFSA-N	442.947	3.665	50	40	IHGB	
O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)NNC(=O)c1ccccc1	20817269	BQZSTNICDWGHJH-UHFFFAOYSA-N	443.434	3.659	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	33335337	QLYQDMSSOYZJSL-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	71788206	KAURUWJRWPNSJD-SFHVURJKSA-N	444.440	3.527	50	40	IHGB	
COC(=S)SSC(=S)NC[C@H](C)NC(=S)SSC(=S)OC	8613234	SUIZGTBUAQOQMJ-YFKPBYRVSA-N	438.759	3.749	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1O	2766033	FBMNKJDJUWQVIW-NTUHNPAUSA-N	434.233	3.860	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	58912139	UWPLYGNCAGEXLF-YSURURNPSA-N	433.295	3.760	50	40	IHGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cnn(Cc2ccccc2Cl)c1	12907992	ATCXJPBHUWQXCA-UHFFFAOYSA-N	432.908	3.667	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OCC(=O)O	409267949	YFHVLTNSYBKOHZ-WYMPLXKRSA-N	432.904	3.802	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)N(CCCc3ccccc3)c3ccccc32)cc1	9948720	HCXTZHZTXXOVLT-AZPGRJICSA-N	427.504	3.874	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1C	409058542	YHPJUKJGZYNLSN-VYYCAZPPSA-N	427.508	3.917	50	40	IHGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21	409149370	DEJILGVQEFDTJB-CCVNUDIWSA-N	436.471	3.983	50	40	IHGB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)cc1OC	408605025	KIUKPWXKHDRCJZ-FQEVSTJZSA-N	447.520	3.727	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1ccccc1	408837454	FPVIOOCPQVDOMH-AQPAOHHBSA-N	432.476	3.954	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Br)cc1	40852794	CLGSDTUSDHZCPJ-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1	1477791	IPJZKFZERGRXST-MFKUBSTISA-N	428.517	3.937	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC	946962	WZRVSHDGIVHOBQ-GXDHUFHOSA-N	425.510	3.679	50	40	IHGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1	3117327	PVAGWMVNLHQHAQ-YDZHTSKRSA-N	448.391	3.795	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1O	9110424	NYTSJXUGVBFZCV-MRXNPFEDSA-N	437.521	3.810	50	40	IHGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1C	11510719	PSQYDZXKMFGNGZ-OAHLLOKOSA-N	443.450	3.784	50	40	IHGB	
CC[C@H]1CCc2sc(C(=O)NNC(=O)CSCC(=O)Nc3cccc(C)c3)cc2C1	15556168	QRVKUYNLHYOGKQ-HNNXBMFYSA-N	445.610	3.704	50	40	IHGB	
CCOCCC1(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CCC1	84801223	SUCLJFFXVAKCGU-UHFFFAOYSA-N	432.524	3.897	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(Br)c1OC	408749619	RHLCVZNYKRARRP-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O	408778016	OKRWHBDYPYVIMY-BUVRLJJBSA-N	441.475	3.596	50	40	IHGB	
CC/C(C)=N/NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	14921468	MHMQVDRXZUYJNS-SYVPYPDPSA-N	428.514	3.529	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccs3)nc3ccccc3c2=O)cc1	16712132	LJHHNAOLDFFQTK-QRVIBDJDSA-N	434.546	3.998	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1ccccc1	408756724	SSZBQIXDMXEDHI-SFQUDFHCSA-N	449.444	3.908	50	40	IHGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1	408961400	SOMMGRVLTAEMJN-YSMPRRRNSA-N	447.491	3.559	50	40	IHGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	8691765	DNQFKJQJWLOPJZ-UHFFFAOYSA-N	440.887	3.933	50	40	IHGB	aggregator
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	9223663	HYYSSFOYQLTLHY-WYMPLXKRSA-N	440.839	3.762	50	40	IHGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](Br)CCC)cc1	15423097	DWYTVZBIYKFQCD-MRXNPFEDSA-N	427.339	3.652	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)c([N+](=O)[O-])c1	15938610	USQICYSNXJUBMP-GXHLCREISA-N	442.653	3.554	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	58914760	PFAWDUYKMFVSIN-CFRMEGHHSA-N	439.855	3.866	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	101052528	OCYLPVMLIUPUFH-ARFNZGECSA-N	427.136	3.586	50	40	IHGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	409258864	WFXVEWIQSXHABO-UDWIEESQSA-N	433.262	3.616	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2o1	8825095	NJMGGVSQHFESDE-UFFVCSGVSA-N	431.242	3.511	50	40	IHGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)c3ccccc3C2=O)cc1	9580435	JYDUAHFCSRBGFH-JWGURIENSA-N	427.460	3.548	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1	12275206	LEMOSZUDSGHOLA-VGSWGCGISA-N	440.908	3.770	50	40	IHGB	
N#CCn1cc(/C=N/NC(=O)c2cccc(I)c2)c2ccccc21	33757670	CCWJCEAJEQDZAG-SRZZPIQSSA-N	428.233	3.533	50	40	IHGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c1	100278566	SXEGWRCCIYUAQA-JJFYIABZSA-N	443.253	3.965	50	40	IHGB	
COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	408742810	PYRARUCOWCSQAH-ZSOIEALJSA-N	445.269	3.555	50	40	IHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1cc(C)cc(C)c1	408955873	PMGGBFQNLUMKQH-YRNVUSSQSA-N	430.320	3.609	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	409181622	DWSPZVCSIHRYPC-UHFFFAOYSA-N	428.378	3.555	50	40	IHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(I)c1	409212080	PUZPMJZSKAYJBX-QGMBQPNBSA-N	446.697	3.893	50	40	IHGB	
C[C@H]1CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cccc1c32	2218077	UHGPYYNTLUFVAN-RXBISOJRSA-N	434.503	3.932	50	40	IHGB	
CCOc1ccc2ccccc2c1C(=O)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1	16839279	UCUSJDKNXMUJJK-UHFFFAOYSA-N	441.487	3.523	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	28215704	YFCPRERTTPVSBJ-AFUMVMLFSA-N	446.463	3.993	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c1	34835238	QDEQTKHWESRPJL-HAHDFKILSA-N	426.473	3.756	50	40	IHGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br	37020470	UMPHSHZVWJWPSJ-GRSHGNNSSA-N	426.108	3.913	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1C	409019507	ZLPHZBWYMKLRIV-CVKSISIWSA-N	447.491	3.881	50	40	IHGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(OC)c(OC)c4)CSC3=C2C#N)c1	9408630	AJENMWFFOGXMLD-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59302178	DSZOGCLDKNWFAG-NKVSQWTQSA-N	443.459	3.714	50	40	IHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223153072	LPEFFVGEXJPPSR-MYYYXRDXSA-N	434.496	3.590	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408767470	KSHITZRHJMDNTG-FSJBWODESA-N	447.866	3.665	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	2256472	PDFQOGWREVYFQC-FQEVSTJZSA-N	426.948	3.760	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)n1	32115669	SROPAXNNYPQQMO-MXAYSNPKSA-N	431.521	3.787	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(N2CCCC2)o1	59678532	ANJKIRWIVVTPFO-KEBDBYFISA-N	426.698	3.825	50	40	IHGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccc2c(c1)OCO2	107927419	WJMZMWPIOYYARO-MYKKPKGFSA-N	438.823	3.757	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(OC)c2)cc1	408791724	BMTAXFVCQBQPMH-MHWRWJLKSA-N	439.855	3.973	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1ccc(C)c(C)c1	12525671	MGQPRVUTKKDTEY-UHFFFAOYSA-N	444.944	3.704	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	13567621	SGVHMLOEFUIKHZ-AREMUKBSSA-N	442.494	3.897	50	40	IHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1	408706510	AMBNHVLJUAYBOL-UFFVCSGVSA-N	437.725	3.821	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C	408706747	DAXVXKWISXMHHR-FSJBWODESA-N	431.334	3.786	50	40	IHGB	
CC(C)CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408709089	XIAKOIRVYUPRGJ-WYMPLXKRSA-N	449.324	3.944	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)cc1	408791831	DCWZZUMHFVWMOO-RIYZIHGNSA-N	445.269	3.799	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)n1	409245648	WZUKVTFHCSXJJS-JJFYIABZSA-N	438.513	3.652	50	40	IHGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	16753080	OQDHXAOSTXIWEK-JCMHNJIXSA-N	438.487	3.778	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)n1	409247475	HOQOICUYYTUWIP-UFFVCSGVSA-N	438.538	3.956	50	40	IHGB	
N#C/C(=C\c1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(N)=O	408994268	YTQVZZSVXBGERM-RQZCQDPDSA-N	432.461	3.871	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)O	409232844	SMKZPLBKOALTQH-KDVQLTRESA-N	428.872	3.986	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	12857166	QFRCRPMZZVQWDI-QGZVFWFLSA-N	437.279	3.738	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC	9369740	CJGPJNISJCJOKV-JVWAILMASA-N	441.487	3.878	50	40	IHGB	
COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	408741905	MCPFEKLJDLAIHA-GHXNOFRVSA-N	449.204	3.754	50	40	IHGB	
Cc1ccc(OCCN2C(=O)/C(=N/NC(=O)COc3ccccc3C)c3ccccc32)cc1	103041195	GVJJZFWNBCLRET-AZPGRJICSA-N	443.503	3.628	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1	409220210	ZIMPGNXUJDFBAP-NTUHNPAUSA-N	434.279	3.802	50	40	IHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1	25323560	ATDXSPYNCBDWQI-LJQANCHMSA-N	441.528	3.552	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)NC(N)=O	409223924	GRCNXULPXSNAHI-QCDXTXTGSA-N	435.223	3.582	50	40	IHGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl	865437	SGYANNBUYVSFLM-FOKLQQMPSA-N	441.875	3.888	50	40	IHGB	
N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	1422444	KJOBAVVEIFPFHE-QHCPKHFHSA-N	436.393	3.515	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)c([N+](=O)[O-])c2)cc1	1433856	OCYSNQFMUXGUDU-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)C1(S(=O)(=O)c2ccccc2)CCCC1	3204222	DTXMZYGXHWQQFE-UHFFFAOYSA-N	426.450	3.835	50	40	IHGB	
CCOc1ccc2cc([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OCCOC)c(Cl)nc2c1	6631281	ADCUMHBKCQARMV-LJQANCHMSA-N	443.887	3.558	50	40	IHGB	
C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	12579872	MKLYFSJWFIPSDP-ITEXZYEPSA-N	442.338	3.969	50	40	IHGB	
CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1	13758186	RRFFGEPEVFKLGX-NBVRZTHBSA-N	440.459	3.866	50	40	IHGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1C	408965563	IVNQXSGPAQVCPR-CFRMEGHHSA-N	439.541	3.514	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1OC	408980440	QYDFIXKGBZUPCN-WATSXHCISA-N	431.492	3.715	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2cc(Br)ccc21	2349175	ISFGNMFZSKMXHL-GFMRDNFCSA-N	444.329	3.804	50	40	IHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cncc(Br)c1	3404635	FQMCZGLUAVLUHG-UHFFFAOYSA-N	447.116	3.771	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1	9056596	WSEPFOHZEKAPIS-LPYMAVHISA-N	431.514	3.541	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1OCC	9845930	MYZIIQMLTPYOGX-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cc(Br)c(Cl)[nH]1	32937167	SWPSAMLGZPRFBB-UHFFFAOYSA-N	438.665	3.677	50	40	IHGB	
Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1	33652949	PZUZDWSVDQWXLJ-WRMVXAJMSA-N	436.468	3.676	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C(=O)OCC)c1C	408546242	FLQOSQCKOUKDOF-XNTDXEJSSA-N	427.478	3.834	50	40	IHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1cccc(C)c1	408869080	PFJZDUDCNQEGLP-VIZOYTHASA-N	448.260	3.580	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1	409006528	ONXMIERRIGFZAB-YDZHTSKRSA-N	432.293	3.591	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1O	3036585	XXHSCDVMDWTCOR-SSDVNMTOSA-N	435.318	3.990	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	13567620	ZOLZYGSUZPYDRE-VWLOTQADSA-N	428.467	3.873	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59249609	ZGOKTXSXPNUUMD-BHGWPJFGSA-N	439.855	3.908	50	40	IHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	59503020	ZDFITKDCRUZJFT-PTFSYIGCSA-N	439.581	3.850	50	40	IHGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OCc1ccc(C)cc1	409011870	ORRBCBOSJOTDQV-KEBDBYFISA-N	438.265	3.657	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nnc1-c1ccc(Cl)cc1	1473946	KNTAXJCFQPZWLP-SSDVNMTOSA-N	445.932	3.575	50	40	IHGB	
Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1cccc3ccccc13)C(=O)N2	26770434	PIVPPIUNIIJVBQ-UHFFFAOYSA-N	438.281	3.762	50	40	IHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1	38683180	YYGLYLSQENISFK-QFIPXVFZSA-N	426.428	3.911	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccccc1C(F)(F)F	58912579	DCGDSENUXHOAFG-VULFUBBASA-N	434.462	3.966	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408787339	YCFOJRDXMZMWIF-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc(Cl)c1OC	9666074	BJAVARHHHMTNMQ-LFYBBSHMSA-N	445.815	3.582	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)c(OC)c1	12555962	CVLJSLHQMKKWQC-UKTHLTGXSA-N	434.233	3.854	50	40	IHGB	
Cc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3)nc2s1	20331950	CDLXVUSFJJILER-MHWRWJLKSA-N	440.488	3.979	50	40	IHGB	
O=C(N/N=C1\[C@H]2[C@H]3C[C@@H]4[C@@H]2/C(=N\NC(=O)Nc2ccccc2)[C@@H]2[C@@H]1[C@@H]3[C@@H]42)Nc1ccccc1	104202356	TYRFZTBYWFHEKN-UHNHFMTHSA-N	440.507	3.730	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408778176	QBVOBIZZYQPKLW-OYKKKHCWSA-N	435.484	3.597	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(Cl)cc2)cc1	408908190	UXKOVGNAHZFSBY-UHFFFAOYSA-N	435.933	3.590	50	40	IHGB	
Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)o1	408975788	NOGVFYIXZXFBMX-BHGWPJFGSA-N	438.850	3.851	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1	408980170	PRAGFFUKLXIVOA-QCBCRBAMSA-N	427.551	3.617	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc1OC	1434607	HZNCIUQCDORYSH-AWQFTUOYSA-N	427.682	3.649	50	40	IHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(C)c1	5961355	FTBJNLLDTYFYEL-UHFFFAOYSA-N	425.529	3.680	50	40	IHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408612994	YERXYORSIVDVMF-KIBLKLHPSA-N	440.302	3.934	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCC#N	408809686	HSAJRWATEDLUJS-TWWDRGBLSA-N	432.318	3.962	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1OC	795217	AHMOLEWTPDMUDZ-KRWDZBQOSA-N	437.521	3.723	50	40	IHGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	9632498	GIUPCTUAWWCGMV-TXRNYMQSSA-N	431.279	3.778	50	40	IHGB	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3sc4ccccc4c3s2)cc1	31822068	SAUVVQGQIQGKBG-UHFFFAOYSA-N	430.532	3.594	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2ccc(N(C)C)cc2)[C@@H]3CCC1	36685791	DKJGAIUEEABSIR-YMCFUUGVSA-N	429.568	3.859	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	59334951	YQNXVAJLVRTKSN-DHDCSXOGSA-N	430.258	3.931	50	40	IHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	408609597	KIAXARWLEQXLMS-JFLMPSFJSA-N	435.911	3.994	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC	985185	WHQAPOJOJWFNDT-QGZVFWFLSA-N	438.871	3.974	50	40	IHGB	
Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NNc3ccccc3[N+](=O)[O-])cc2)c1	9633647	TXEPAWROMJDKPW-UHFFFAOYSA-N	441.465	3.736	50	40	IHGB	
CCN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c2ccccc21	102412260	RDPGNQMFFGIDSS-MEFGMAGPSA-N	445.548	3.886	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1	408747162	JTGZZFWXCBQFOC-UDWIEESQSA-N	436.249	3.629	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	408978585	JFBQXUDRPRKJCN-NSRYLYFRSA-N	430.464	3.915	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409244754	IGGCEKVEGNXFSK-ZSOIEALJSA-N	434.370	3.811	50	40	IHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Br)cc1	27339889	NYXQZLUJZCOWBO-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])cc1	409227313	ZEDLGKNSZSKQSF-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3C)c3ccccc32)c1	46084985	RWTOXFORIQITHZ-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NNC(=O)c1ccc(F)cc1	9614242	QDYPMBWTLYOVAH-LBPRGKRZSA-N	443.479	3.500	50	40	IHGB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)CC1	13648102	NERMJWYEBRMCRQ-BMRADRMJSA-N	442.548	3.510	50	40	IHGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(Br)cc1	38824192	SOPVRRUXFHQHNU-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408745758	AEDKKDREZLDXJR-YVLHZVERSA-N	425.282	3.693	50	40	IHGB	
C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1)c1ccccc1	408799145	YFARZOQLWKUSNC-IXOWOOARSA-N	440.503	3.561	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc1OC	408978309	HZPCAVSFYHHALC-GXDFBKAQSA-N	425.485	3.588	50	40	IHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409006720	KJGOFCSFHDVUCQ-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OCC	657380	DXQILJNJLLOHCT-UDWIEESQSA-N	438.265	3.853	50	40	IHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)NN(c1ccccc1)c1ccccc1	4486404	HBMUQZQJGNXDEG-UYRXBGFRSA-N	441.443	3.735	50	40	IHGB	
CCCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926820	XKMGPMWWKRNPME-VWLOTQADSA-N	427.460	3.702	50	40	IHGB	
COc1ccc([C@H](NC(=O)CCl)c2nccc3cc(OC)c(OC)cc23)cc1OC	12371236	WXJGHAIOJHYPPX-NRFANRHFSA-N	430.888	3.714	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cc(F)cc41)[C@@H](C)CC31CCCC1)C(C#N)=C(N)O2	14162347	AQYRMVCWAXNQDI-VDBVYFBLSA-N	447.466	3.626	50	40	IHGB	
CC(C)(C)C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1	22698659	MLXWANIQSFGBBM-UHFFFAOYSA-N	435.480	3.918	50	40	IHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	58911876	FYNZGLGXLJSCRQ-VULFUBBASA-N	438.915	3.523	50	40	IHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1	408707161	HJWYQMNBUFBDKD-JFLMPSFJSA-N	444.491	3.512	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409249900	JLAKZTNRNKFAGZ-OHHQFBAHSA-N	442.313	3.517	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1	671912	AICFICOWQAYANF-UFWORHAWSA-N	426.654	3.848	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1	1477783	HKFBVGCELHTMFP-YDZHTSKRSA-N	434.546	3.998	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccco1	1477819	XXRCCQZZXNGSOR-PCLIKHOPSA-N	432.505	3.920	50	40	IHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1	9308740	CQKXVEIJWWHNLA-IBGZPJMESA-N	430.464	3.870	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1	58913834	XOFGXPIGDTXMRT-FSJBWODESA-N	439.859	3.745	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1C	408587230	DYELQXMHBOEFMA-OPEKNORGSA-N	449.467	3.602	50	40	IHGB	
O=C(CCl)O[C@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)CCl)c1nc2ccccc2[nH]1	408973937	CTOPLPJBEVLQGC-ROUUACIJSA-N	447.278	3.786	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	935290	DSCGOJFRKNFLQZ-XUMLYMLNSA-N	442.338	3.621	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	1684968	OZEYDTBJXWOHRU-KVJLFNRQSA-N	432.094	3.901	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3nc4ccccc4n3C)o2)cc1	9127374	SNOCDDYZNKOEHF-MFKUBSTISA-N	430.464	3.703	50	40	IHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1	9243176	OPZZPISQOMTWIB-IBGZPJMESA-N	448.479	3.806	50	40	IHGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1	19848260	GDPVMBZQRJPKEM-OVVQPSECSA-N	443.503	3.502	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1OC	22443529	WJYQDKYZDOEDNU-HXUWFJFHSA-N	442.512	3.507	50	40	IHGB	
O=C(CCc1ccccc1)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O	23109434	RDZNMXVRSUADQR-UHFFFAOYSA-N	444.318	3.597	50	40	IHGB	
Cc1cc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)cc1	223151069	KDQUXZAUFSKEIA-MSXFZWOLSA-N	438.871	3.535	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1C	408528206	HCOFKYFLUAYYLW-DHRITJCHSA-N	435.484	3.882	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cc(C)ccc2C)cc1	408774839	XTDWBCFNASPMPF-OEAKJJBVSA-N	425.510	3.550	50	40	IHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCl)c(=O)cc1[C@H](NC(C)=O)CC2	2048382	ZNNQFQUDFHZHFE-QGZVFWFLSA-N	446.931	3.514	50	40	IHGB	biogenic
Cc1ccc2[nH]c(/C(C#N)=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)nc2c1	8934867	WNXRGDWADVXFKZ-AQTBWJFISA-N	425.492	3.749	50	40	IHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1	24536656	BHYFFVRFKCDARQ-SECBINFHSA-N	442.686	3.872	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Cl)cc1Cl	31637440	YXIXETCCWHOSNJ-BDVMWVQXSA-N	432.094	3.901	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58912371	FYGXNGGRYMLWLC-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2)cc1	58918114	MSEJPDLHLGIYMF-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1	408781236	BFHXSEKOPLNDGB-LGMDPLHJSA-N	426.314	3.713	50	40	IHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)c1cccc(-n2cccc2)c1	408963121	MSTXQDHHYXNPQP-NDENLUEZSA-N	431.233	3.551	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	408969236	JWQJKONLFZUQOS-LGJNPRDNSA-N	426.879	3.653	50	40	IHGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12	409015923	PNTHEMZABXQNJR-ZUICHYAESA-N	440.931	3.881	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	409249916	JTFJYFBUWUJMSL-AFUMVMLFSA-N	430.420	3.818	50	40	IHGB	
C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1F	673296	OCHJPWFEFQNNSY-GCMSVZMUSA-N	439.516	3.813	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	2752482	LEJKXMRTPSGASS-FSJBWODESA-N	438.827	3.970	50	40	IHGB	
O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	3099072	ZGTOCTBKFACHKU-DENHBWNVSA-N	446.630	3.813	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1	9018992	DQQMRNHRXXPFPS-WSDLNYQXSA-N	429.933	3.869	50	40	IHGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1c(C)nc2ccccn12	9661760	DAGRMJJUZKTGSD-PCLIKHOPSA-N	427.512	3.501	50	40	IHGB	
CC(C)c1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cnn1-c1ccc(C(F)(F)F)cn1	32684381	NZVAFWMMQNCJQW-UHFFFAOYSA-N	449.408	3.552	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	58883099	ICMGVZGHJSJUDX-JXYIUTTOSA-N	431.492	3.715	50	40	IHGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408709045	WSSXQOPILPUGMG-DHRITJCHSA-N	434.899	3.604	50	40	IHGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	408837765	NCVVHPHIRDESHJ-JNJFRLMHSA-N	434.246	3.538	50	40	IHGB	
Cc1ccc2c(c1)/C(=N/NC(=O)c1c(-c3ccccc3)nc3n(C)c4ccccc4n13)C(=O)N2	9009977	JEPKNCLTAXDEPL-UHFFFAOYSA-N	448.486	3.888	50	40	IHGB	
Cc1csc(Sc2ccc(C(=O)NNC(=O)c3ccccc3F)cc2[N+](=O)[O-])n1	13063643	AUSDWUADWTVJOO-UHFFFAOYSA-N	432.458	3.725	50	40	IHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/CCc2ccccc2)sc2c1CCCCC2	13779321	DFIGIVDLKJSBTF-BUVRLJJBSA-N	441.553	3.867	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	102640021	UMCYFTQPHQBNGS-ORIIPUBOSA-N	427.136	3.586	50	40	IHGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21	102978258	OMFNPXXTSQDQHX-ZZIIXHQDSA-N	436.471	3.924	50	40	IHGB	
COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	107711259	AXWTZNHUZQHAHU-OCKHKDLRSA-N	426.654	3.712	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1	408786144	FMIHWVPYWKFSSI-JJIBRWJFSA-N	425.485	3.561	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	408864983	AZQVHKDLGUFKBR-LYBHJNIJSA-N	429.586	3.929	50	40	IHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c(F)c1	408965044	FQWDJESYPHHOJD-UVHMKAGCSA-N	434.402	3.618	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)n(C)c2ccccc12	409010219	BHTXQDSLPUCGBC-QYJQOTDOSA-N	448.567	3.855	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCCCCC3)nc12	2200608	LSZCYNAIHBOFSG-LTGZKZEYSA-N	441.535	3.607	50	40	IHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1	6195005	LPWXPHITUAWWJQ-SJLPKXTDSA-N	441.413	3.587	50	40	IHGB	
COc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2Cl)ccc1OCCC(C)C	12770092	HZRUNBHFYVMLIG-UHFFFAOYSA-N	444.912	3.536	50	40	IHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)c3oc4ccccc4c3C)cs2)c1OC	13021176	NTWLMZJPHIZUJB-UHFFFAOYSA-N	437.477	3.957	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1	408788421	CWOVYGONAXFRJE-MHWRWJLKSA-N	442.313	3.898	50	40	IHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1cccc2ccccc12	409107085	URKYVQSLBIRGIA-QQXSKIMKSA-N	433.508	3.986	50	40	IHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)C(=O)NCCCc1ccccc1	409247483	HQAWYWBFTRLVGW-DHDCSXOGSA-N	430.258	3.719	50	40	IHGB	
COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)cc1	409375598	MWNZOOQIAFBOJI-KGENOOAVSA-N	441.487	3.936	50	40	IHGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1	2226542	PKZZAYBEDBUGCO-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	
COc1cc(CCC(=O)NNC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC	3408223	SWPPMYVUGPRFOC-UHFFFAOYSA-N	448.928	3.974	50	40	IHGB	
CCC1=C[C@@](C)(CC)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32	9427270	BAULIXJSKKJMDG-CLJLJLNGSA-N	443.503	3.951	50	40	IHGB	
COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2[nH]c1=O	9715964	WCKCJGHCLSFMOZ-JOCHJYFZSA-N	442.475	3.566	50	40	IHGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cccnc1Sc1ccc2c(c1)OCCO2	12757341	MEOZIVAKVOLQLP-UHFFFAOYSA-N	446.488	3.560	50	40	IHGB	
C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	13134848	HZBDYOOZCDUUGR-MRXNPFEDSA-N	436.895	3.728	50	40	IHGB	
O=C(N/N=C/c1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	15930490	BAJHJQRGFUNMDG-AUEPDCJTSA-N	431.399	3.946	50	40	IHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(Br)o2)c(Br)c1	20100980	WJUURFAJUDFPFI-WSVATBPTSA-N	430.096	3.951	50	40	IHGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	408847026	SGOMUIBDLATFPA-YDZHTSKRSA-N	447.407	3.828	50	40	IHGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	20209014	JQQGGNLAOUHRRP-LFVJCYFKSA-N	445.585	3.905	50	40	IHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F	25630034	WQKAMIRQGFZHAV-UHFFFAOYSA-N	440.784	3.687	50	40	IHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)c(O)c1	409102510	ASAKSBZTQANMOV-DJKKODMXSA-N	444.656	3.813	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1C	1093228	YQQJJRQAPAGIPW-VULFUBBASA-N	432.480	3.570	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2	2433445	AJAATHSPQJVRQK-SFHVURJKSA-N	438.281	3.779	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1O	3140055	OAULHROBZDVGEA-DNTJNYDQSA-N	427.682	3.654	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1	12275199	LEMOSZUDSGHOLA-HTAPYJJXSA-N	440.908	3.770	50	40	IHGB	
CN(CC(=O)N/N=C\c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2ccccc2c1	16187472	NDPXLUGJXYMVAP-MXAYSNPKSA-N	449.454	3.629	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1	408874755	AEOCYGLTINESDL-XQNSMLJCSA-N	445.541	3.931	50	40	IHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cc2c(cc1Br)OCO2	408883828	WTXNLCDYLJEPME-FBCYGCLPSA-N	434.271	3.561	50	40	IHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1	409026871	BZXNNNHNFUOQKB-MFKUBSTISA-N	439.512	3.864	50	40	IHGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	948339	WLYLWYAKDOHZSX-XMHGGMMESA-N	447.520	3.946	50	40	IHGB	
CN1/C(=C\C(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21	96477635	GHZOVJXJANSNHV-HNUMWELISA-N	430.460	3.746	50	40	IHGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(OCC)c2)N2C(=N1)SC(C#N)=C2N	408604402	IPULXDUZYYBRMF-IBGZPJMESA-N	442.541	3.822	50	40	IHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	408955741	YXEVAMOXGQRODN-VFCFBJKWSA-N	438.531	3.930	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br	867452	ZCWNOQKWGAUZGR-WUXMJOGZSA-N	448.204	3.967	50	40	IHGB	
O=C(COc1cccc(Br)c1)NNC(=O)Nc1ccc(Cl)c(Cl)c1	3342891	RQVYPFWHMWBUGU-UHFFFAOYSA-N	433.089	3.988	50	40	IHGB	
CCOC(=O)[C@H]1CCCN(CC(=O)/C(C#N)=C2/NC(c3ccc(Cl)cc3)=CS2)C1	12468269	POFKMEBRHUKOAC-IENXAOORSA-N	431.945	3.554	50	40	IHGB	
O=C(CCCCCCCCC(=O)N/N=C\c1ccccc1O)N/N=C\c1ccccc1O	97466259	FAGCLRMEOSNCKD-MFYXSQMNSA-N	438.528	3.819	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCCC3)=C2C#N)cc1Cl	409322180	JDRXDBKDQIWZPE-OAHLLOKOSA-N	433.961	3.823	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2cc(C)nc3ccc(OC)cc23)c1	871118	ZFVVLAIYHBYNTP-FSJBWODESA-N	425.510	3.811	50	40	IHGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1	13425204	JNLZLBBWJGLKPL-VBKFSLOCSA-N	439.468	3.751	50	40	IHGB	
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1	13768341	LONISPHJECHERM-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1O	59484545	UQZKWMDFEJEYKN-OVCLIPMQSA-N	448.260	3.619	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	408944835	VTQYPGZHGNHKSU-CVKSISIWSA-N	446.507	3.668	50	40	IHGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	409005425	ZWKGHFIPJMXNQO-YDZHTSKRSA-N	447.407	3.828	50	40	IHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409210377	KRZDFOAIKOFTMH-CNHKJKLMSA-N	444.694	3.959	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	1435099	WTDJYXDMDRHDOY-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	20214085	BJUWYZYMWLMSDC-HYARGMPZSA-N	443.550	3.765	50	40	IHGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNC(=O)c1cccc(Br)c1	101148295	TWCCQJCXVNIVPB-MHWRWJLKSA-N	433.693	3.644	50	40	IHGB	
CC(C)c1ccc(-c2csc(NC(=S)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1	575425730	HVSQAXQBPKMBLX-DZGCQCFKSA-N	430.020	3.624	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1	408611816	WSEXRDNWPRRQGW-SFHVURJKSA-N	449.482	3.910	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(I)c1O	408844564	DQRZEUHXFLSEGD-OCKHKDLRSA-N	436.205	3.516	50	40	IHGB	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(I)cc2)c1C	8385835	JYAWLGORAJKJTD-CIAFOILYSA-N	449.292	3.777	50	40	IHGB	
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=N/C3=C(C#N)[C@@H]4CCC[C@H]4S3)o2)cc1	16321124	QTLVWIAGRNFEEE-WNKTYHFFSA-N	441.534	3.841	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccs1	58925204	DEDNPGXVGGQUGN-XQNSMLJCSA-N	445.541	3.931	50	40	IHGB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNC(=O)c1cccc(C)c1	408529375	JICFLPHCKZKFOK-BOPFTXTBSA-N	441.329	3.915	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1	408545355	YEBJLVFWMYFIQQ-QCDXTXTGSA-N	435.219	3.701	50	40	IHGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408678378	XWESZFYUUJMLML-HZHRSRAPSA-N	426.314	3.825	50	40	IHGB	
Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccc(Br)cc1	409242173	NFKNYUZEMQQDPL-GDNBJRDFSA-N	437.297	3.862	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccn3)n2-c2ccccc2)cc1	8431271	CDGDMUVGYHRDBT-MYYYXRDXSA-N	444.520	3.580	50	40	IHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1cccc(C(=O)O)c1	9422335	SDQMRNZJXKQEEO-STZFKDTASA-N	440.459	3.613	50	40	IHGB	
CC(=O)N/N=C/c1cc(Br)ccc1OCCOCCOc1ccc(C)cc1	13895664	YSSUSBQKUPGRBG-HYARGMPZSA-N	435.318	3.702	50	40	IHGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1)c1ccccc1	16248423	JBOJTOLLJVCFSP-BUVRLJJBSA-N	425.485	3.556	50	40	IHGB	
Cc1ccc([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	36101824	HHGCBYHATNQVIL-RPWUZVMVSA-N	443.528	3.729	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)c(Cl)c1	408708349	PHBYXHDIBUXKFZ-LSHDLFTRSA-N	437.725	3.741	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)O	408745910	AUNHFHZSUXFMBC-ZROIWOOFSA-N	445.269	3.857	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1C	408782044	FLHDTDJURFYTLA-CNHKJKLMSA-N	429.112	3.636	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1	409007172	UOCXZOVFXDALMA-PCLIKHOPSA-N	425.916	3.907	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1OC	946964	QGCINVQZNLPENA-GXDHUFHOSA-N	426.494	3.976	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3cccnc3SC)cc2)cc1	3413431	GECQDCLGSXWBSY-UHFFFAOYSA-N	437.521	3.856	50	40	IHGB	
Cc1nnc(SCC(=O)N/N=C/c2cccc(OCCOc3ccccc3C)c2)s1	8861548	ZYTTYFQLBXGPQV-LPYMAVHISA-N	442.566	3.855	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC	9435336	VLRLYVFVBSJWFC-SFHVURJKSA-N	433.424	3.610	50	40	IHGB	
Cc1ccccc1N1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=C(/C#N)C(N)=O	33665730	VUFSXISOAVVUSS-SWEXZPIWSA-N	442.338	3.669	50	40	IHGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C\c1ccc(O)cc1	102441038	QBHDKQXPLADXIB-WTHRLWDASA-N	438.528	3.819	50	40	IHGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1cc(C(F)(F)F)ccc1Cl	102643530	AVOGMGRQNJYIIC-LGHQWOBVSA-N	438.627	3.868	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC(C)C)cc1	408607645	UDENUHBSDGXILF-HXUWFJFHSA-N	439.585	3.975	50	40	IHGB	
Cn1cc(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cn1	12852151	KRZXCDWHKLXUFO-KBKYJPHKSA-N	430.386	3.663	50	40	IHGB	
O=C(Oc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1Cl	32109236	LCSGTNRENSYYCG-CWOJIVPFSA-N	436.851	3.849	50	40	IHGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	59516240	PAWQNXWZNUMAEE-PMFZIYJTSA-N	431.492	3.602	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccc(I)c1	408755637	RJMUBYPIRTVTTO-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1	409006301	IQNUVRYCMCBZRW-LFIBNONCSA-N	432.388	3.897	50	40	IHGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)o2)cccc1[N+](=O)[O-]	409172509	JPTWBQWCSQYFHT-BHGWPJFGSA-N	440.843	3.697	50	40	IHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])/C(=N/Nc1ncnc2ccccc12)c1cccs1	11859690	LWWNVSKCXAHYGF-RGJNQBSDSA-N	445.464	3.566	50	40	IHGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc(Br)cc2C)cc1	14921880	XHDCDJCVFPZSAX-OEAKJJBVSA-N	448.317	3.666	50	40	IHGB	
O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccc(F)cc1	107704906	AGRKVDSCFJGMFV-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408725756	JPPOPURDPSGMQH-OEAKJJBVSA-N	434.408	3.775	50	40	IHGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408811955	BUIYNSPXEPOLBF-MYKKPKGFSA-N	438.415	3.785	50	40	IHGB	
O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCCCC2	12979422	QAFMSPKJAKDIPV-UHFFFAOYSA-N	434.461	3.539	50	40	IHGB	
COc1ccc(Cl)cc1NC(=O)[C@H](C)NNC(=O)COc1cc(C)ccc1C(C)C	13134277	FZDBVDPQVPAGPA-HNNXBMFYSA-N	433.936	3.807	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1[N+](=O)[O-]	408570507	WCKPSROTMBGSIJ-RGVLZGJSSA-N	433.511	3.611	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1	408789797	LQFIZNXPXCSHCM-AWNIVKPZSA-N	429.226	3.510	50	40	IHGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(I)c1	409068022	SIGKLNZARDBTLM-CIAFOILYSA-N	437.256	3.794	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2cccc(C)c2)cc1	16309444	CJHBLTXLHZHMIQ-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1	28215666	UTVQDBIBQNBYNI-PMFZIYJTSA-N	431.492	3.715	50	40	IHGB	
O=C(NNc1ccccc1C(F)(F)F)c1cn(-c2cccc(Br)c2)nn1	57985272	MJXZYZXHPWINMR-UHFFFAOYSA-N	426.196	3.806	50	40	IHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)cc2)c2ccccc21	101192893	MJYMHGAUVUBPGJ-DQRAZIAOSA-N	430.508	3.817	50	40	IHGB	
Cc1cc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc(C)c1Br	102644856	PINVYHJFBDEFNH-JVHLPBCQSA-N	443.135	3.575	50	40	IHGB	
NNC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1	226334697	XCFOCSSGIMEDKT-FNORWQNLSA-N	426.108	3.794	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C	408708782	SRZQJVSWGNEVFN-ADUFITKSSA-N	436.512	3.582	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br	408817081	VEKWJASEPFSGCM-ZSDFOQAISA-N	449.345	3.993	50	40	IHGB	
CCOC(=O)C1=C(S/C(SC)=C(\C#N)C(=O)OCC)Nc2ccccc2NC1=N	16682526	VTRFEODZNXEOBP-YBFXNURJSA-N	432.527	3.670	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OC	28218053	OZNNMMOXPUGWEI-UFWORHAWSA-N	442.653	3.792	50	40	IHGB	
COc1cccc(/C=N\NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1	31783572	HVGMSEMIQIEPNH-GATIEOLUSA-N	432.505	3.592	50	40	IHGB	
COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)ccc1O	57478251	AMOLAAKSMAZURZ-DJKKODMXSA-N	435.303	3.769	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc(Cl)c1Cl	408923328	VZRCCNWBXJCOQH-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)n1	409248310	PLLYBASXDGOKFK-SRZZPIQSSA-N	444.358	3.889	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1	795213	VBWAEUDDBXUNFL-KRWDZBQOSA-N	425.485	3.935	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCCCCC3)nc12	2202476	QRVOUWRGIMSEHW-CAPFRKAQSA-N	448.548	3.722	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21	2413615	CIKNDRCCPRAXFK-MHZLTWQESA-N	445.482	3.888	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc([N+](=O)[O-])cs2)[C@H]2CN(Cc3ccccc3)CC=C12	8951197	ZQLQRCNREWCEPL-PZJWPPBQSA-N	442.504	3.582	50	40	IHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1	13807461	WLGVAKREGPIMRK-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	35131355	MNKUMYFTVXYMHI-JJFYIABZSA-N	427.800	3.899	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C	408591254	SISVNMCYGUIUTJ-DHRITJCHSA-N	433.464	3.763	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(I)c2)cc1	408745062	JKCDZJUSGYXIDT-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	409164655	LOIGQAJELOEWDS-XSFVSMFZSA-N	442.519	3.663	50	40	IHGB	
CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2	9210739	OCXCAMSCNHQMHM-RUZDIDTESA-N	425.492	3.590	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2cccc(OC)c2OC)sc(C(C)=O)c1C	32223338	JNLXLJNKNWEHQG-FBHDLOMBSA-N	433.486	3.609	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2cc(Br)ccc2o1	33957546	ALDUIOTZJMFDIX-FBCYGCLPSA-N	432.186	3.596	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1C#N	59427753	RCXNMIYXIQPPIF-UVHMKAGCSA-N	445.523	3.653	50	40	IHGB	
CCOP(=O)(OCC)c1ccc(P(=O)(c2ccccc2)c2ccccc2)c(O)c1	98045902	IMYMPZBLXJIWAR-UHFFFAOYSA-N	430.377	3.923	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408676998	OHOVGXCLZVZFOH-LPYMAVHISA-N	432.318	3.830	50	40	IHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)ccc1Cl	1106415	LTZMROOAWHHURX-BHGWPJFGSA-N	440.839	3.808	50	40	IHGB	
COc1cccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1	2383693	DDNVVFNZNJMOHE-MNTXUITRSA-N	448.331	3.914	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2)cc1	3044745	WNPKBNSCHOQLPL-SHXDQTRASA-N	445.431	3.986	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	10059325	QGYMGCJFZPLZRK-BUVRLJJBSA-N	433.420	3.977	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)c1	33647506	HQSIZXRVSYWABU-DHRITJCHSA-N	434.448	3.775	50	40	IHGB	
O=C(O)COc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl	39978170	RAJAAPXNYNNWLA-YXSASFKJSA-N	431.659	3.639	50	40	IHGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O	62772219	SBLCIFMZTFIOPM-ZXSRWUCRSA-N	447.922	3.616	50	40	IHGB	
O=C(COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1Cl)Nc1ccccc1F	107831333	FHXVDYDYLIPSPZ-ROTLSHHCSA-N	441.846	3.966	50	40	IHGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCC(=O)O	110212629	SYIBMPQUPUURQU-ACAGNQJTSA-N	433.214	3.893	50	40	IHGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OC)c(OCC)c2)cc1	408711940	RQJITUAJPIMQBG-XKZIYDEJSA-N	435.318	3.948	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cc(Cl)cc(Cl)c1	408789302	ISLLMDGJSJNCEL-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)O	16158255	LOXIVCVGLJQUQL-SAPNQHFASA-N	448.456	3.698	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(N)=O)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N	17097885	SBNZJEBTVJSMBF-MLPAPPSSSA-N	432.427	3.974	50	40	IHGB	
CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)OCCO1	408871565	HJCNBYHCAAOQSK-LPYMAVHISA-N	433.302	3.631	50	40	IHGB	
CCOC(=O)COc1ccccc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408905089	SWEUDCHGKADCRF-NHDPSOOVSA-N	434.290	3.855	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)COc2ccccc2Cl)cc1Br	408908699	AZYCOXNJIBTENP-AWQFTUOYSA-N	427.682	3.649	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])cc1	409225959	UGKIUEJKWAYQCS-FDTILGBMSA-N	435.392	3.579	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	1102826	DGNQTZWHEDELOI-BRJLIKDPSA-N	445.504	3.892	50	40	IHGB	
COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C)s2)c1	2104499	LBSAUOQDAXVOFA-JPCQLYNOSA-N	449.532	3.995	50	40	IHGB	
COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O	32114574	YALDTOIQTNGTJP-MGHGIJLISA-N	428.228	3.533	50	40	IHGB	
COC(=O)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@H](O[Si](C)(C)C(C)(C)C)C1	195954108	DBNMGEIRSATOJZ-SSWGIJEZSA-N	434.722	3.826	50	40	IHGB	in-vitro
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2=O)cc1	409161440	XGHSALUOSLBSMA-ZPPBPVQNSA-N	443.503	3.777	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(N)=O	409225694	RBVBPTUADFGJCM-LZYBPNLTSA-N	427.888	3.765	50	40	IHGB	
O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	8722264	JRCSYNBXCORYLS-UUYOSTAYSA-N	436.380	3.552	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc2c(c1)OCO2	9846733	DRXXNXVFKSJCOM-BRJLIKDPSA-N	436.395	3.546	50	40	IHGB	
Cc1ccc(Cn2nc(C)c(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)c2Cl)cc1	17519012	CHBPPFTYFIPRSW-UHFFFAOYSA-N	448.914	3.667	50	40	IHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1	100720879	BMDUBXCSLYNDOA-RIYZIHGNSA-N	441.237	3.629	50	40	IHGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1	107764112	UTDIQSXJBBEATR-KGENOOAVSA-N	441.487	3.936	50	40	IHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	408665026	ZHACQUVBXHXYON-KBXCAEBGSA-N	448.834	3.510	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OC	409222439	DBVJTKXPDJRYJY-VCHYOVAHSA-N	433.393	3.893	50	40	IHGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1cccc(Br)c1	16312136	LSMLXQXGWZSXIL-WQRHYEAKSA-N	427.302	3.607	50	40	IHGB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2cccs2)cc1	17097980	JKPRAMZMDZJZLO-HKWRFOASSA-N	432.505	3.716	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	19954283	HGVDDQLIOYXTOI-HZHRSRAPSA-N	435.977	3.944	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c([N+](=O)[O-])c1	27532489	HGMKIIQPTLEUGJ-LFYBBSHMSA-N	430.214	3.940	50	40	IHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccccc2)cc1	408906541	GXSLVOSFUDILBG-HAVVHWLPSA-N	431.558	3.819	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	6038841	GGPKNAUVFNTXRB-KEBDBYFISA-N	446.381	3.632	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OC)c1OC	9305668	MTNICINLESPNPD-ZOCVZFIWSA-N	427.284	3.937	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20238063	QZPIDPXTTJWWEF-QGZVFWFLSA-N	425.510	3.902	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(NC(=O)c2ccccc2)cc1	408863409	MNESNDAEMGBONB-WPWMEQJKSA-N	433.537	3.978	50	40	IHGB	
N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NC[C@H]1CCCO1	409196864	YINUWISNSLDJDI-WORNYLJVSA-N	426.900	4.000	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1	20240418	OECWERZNGUCBCC-TURZUDJPSA-N	442.563	3.777	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2cccnc2SCc2ccc(F)cc2)cc1	40143863	PVPHAPSRVLUUHE-UHFFFAOYSA-N	425.485	3.987	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2C)cc1	409188076	WSVBFGZKKSSIIL-OYKKKHCWSA-N	436.468	3.930	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC	12275292	QGWOBLKOAHJNTA-HXOBKFHXSA-N	440.496	3.876	50	40	IHGB	
Cc1noc(-c2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)cc2)n1	12941256	ZDXWFRUDJMWMJJ-UHFFFAOYSA-N	428.876	3.627	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2OC)cc1	33665805	JOJPLSMVQBOSNI-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC	408800385	OSKGFMSZVNALBK-OQLLNIDSSA-N	444.871	3.845	50	40	IHGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	409001411	PQUNLAFJJFGQNK-FSJBWODESA-N	433.961	3.876	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OCC	409335094	NXRCXYWFIJQDFL-FMCGGJTJSA-N	432.860	3.531	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC	9328607	TXUVRVKOLJJNCY-HXUWFJFHSA-N	448.479	3.719	50	40	IHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc2c(c1)OCO2	9421920	XCHITYACACUNPF-MOSHPQCFSA-N	440.459	3.644	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl	12857122	HLCKCIOESAPTQF-INIZCTEOSA-N	437.279	3.738	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2F)cc1OC	14229674	BVAZFUPBEAEONT-UHFFFAOYSA-N	439.281	3.851	50	40	IHGB	
COCCCN1C(=O)c2ccc(C(=O)NN(c3ccccc3)c3ccccc3)cc2C1=O	32999486	JMBZDJCAMNSORO-UHFFFAOYSA-N	429.476	3.802	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC	169879749	XTWINZQJYUDHIR-RGVLZGJSSA-N	436.262	3.919	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408791838	DGACMZXGLBZXAE-RIYZIHGNSA-N	429.816	3.736	50	40	IHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408799446	ZIDXDOWYFGASNC-XNTDXEJSSA-N	429.270	3.937	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)NCCc1ccccc1	409148140	XJLGWTYMGPKYAJ-TURZUDJPSA-N	429.520	3.507	50	40	IHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1	1454941	YCPHBUKYBXHROK-UHFFFAOYSA-N	430.302	3.732	50	40	IHGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(N(C)C)cc3)cc2[N+](=O)[O-])c1	3082943	OXEIAQHIRBIPHW-MFKUBSTISA-N	446.463	3.952	50	40	IHGB	
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1	100861348	UTSWPCJGSRPEAL-IHIJCHFRSA-N	436.537	3.729	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1	409264257	OCWUNSYDNWWOBZ-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1	2077073	XAXBPJMDNOMWPK-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
COc1ccc(C/C(C)=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	9465007	AZOVIDLTGSCIPL-OVVQPSECSA-N	440.503	3.802	50	40	IHGB	
O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NNC(=O)c1ccccc1	11078379	IZDWKKRKHYMOOO-UHFFFAOYSA-N	425.444	3.520	50	40	IHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3)cc2)n1	22061111	ZJKFYLYEQLLVIF-QGZVFWFLSA-N	436.537	3.614	50	40	IHGB	
C=CCOc1c(I)cc(/C=N/NC(=O)c2cccs2)cc1OC	59197660	KFVUWXVECNLCDR-VCHYOVAHSA-N	442.278	3.690	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1ccc(Cl)c(Cl)c1	408607176	CGEIQQAYBCOQMJ-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)nn1-c1ccccc1	653098	LLZOBWVEFGYBCB-UHFFFAOYSA-N	441.447	3.831	50	40	IHGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1O	18194686	BWUZFEQSIVMULB-ZMOGYAJESA-N	448.435	3.634	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1	58913853	MFSNPPUNPYZJGN-ZMOGYAJESA-N	433.468	3.708	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1	59435380	QXTSIHLHXAVYMX-BUVRLJJBSA-N	439.537	3.744	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccccc1	408836058	PPGNEHWMHZMHPJ-YDZHTSKRSA-N	439.313	3.945	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	409002537	OKTWJEIRIMQFJI-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1Cl	16322783	UQEWRTSVOJVBRX-UHFFFAOYSA-N	443.997	3.823	50	40	IHGB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	33892962	MESPTKHVLWQFIW-DDJHGGCISA-N	437.283	3.806	50	40	IHGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1	408730851	JLBQLVVDZOBDNJ-YBFXNURJSA-N	438.351	3.512	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccc(F)cc2)cc1	408783815	RJWUCNUDYATIFP-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
O=C(CCc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1O	408957191	SSSUHIDSJLRALL-DJKKODMXSA-N	442.107	3.706	50	40	IHGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)C(=O)NCCCc1ccccc1	409252153	QYCFPSURLUNCOQ-BOPFTXTBSA-N	443.297	3.568	50	40	IHGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	67192577	WPAXLMMODGJFJJ-UFFVCSGVSA-N	444.787	3.946	50	40	IHGB	
Cc1cc(Br)cc(C)c1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408690168	ZWWPYVODOUQVLC-CGNPOWQISA-N	443.135	3.575	50	40	IHGB	
COc1ccc(SCC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)cc1	408855052	CVBUJZOFHQNDJQ-JAIQZWGSSA-N	438.347	3.893	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(I)o2)cc(C)c1Cl	903907	DFQAKRMWJPKDSY-CNHKJKLMSA-N	432.645	3.684	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc(OC)c1OC	985186	WHQAPOJOJWFNDT-KRWDZBQOSA-N	438.871	3.974	50	40	IHGB	
COc1cccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(/C#N)C(N)=O)c1	2383697	DDNVVFNZNJMOHE-SWEXZPIWSA-N	448.331	3.914	50	40	IHGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	3358509	WADYCYASWNEGAW-UHFFFAOYSA-N	441.487	3.826	50	40	IHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)ccc21	9883660	FFVNPPWXSPLHQP-UHFFFAOYSA-N	445.479	3.593	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)c2cccc(C)c2C)cc1	13942789	DCDXCWDRLANPJB-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
O=C(CNC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Br	16045759	YWMSTBGRJREKBV-UHFFFAOYSA-N	438.325	3.589	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	16487722	BLIBRIWECFYUEZ-HZHRSRAPSA-N	427.913	3.686	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1Cl	61108814	LQGNTPLFPLTWPO-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3ccc(Cl)cc3)c2c1	199422299	ALDUOEHKKSGUTF-UHFFFAOYSA-N	426.904	3.547	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)c1ccc(C(=O)O)cc1	408541589	GTOZCKJKHFULCV-AUWJEWJLSA-N	449.200	3.517	50	40	IHGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c1	408753006	KPWYOLLXRRKJAW-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1	103918348	IMQCOHUTCSMAOK-STZFKDTASA-N	440.475	3.554	50	40	IHGB	
COc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1Br	24831854	PXWKOPIGZRMDBR-UHFFFAOYSA-N	441.709	3.514	50	40	IHGB	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)cc1	12526617	XCBGITPOFQEEMS-UHFFFAOYSA-N	441.491	3.894	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1C	409220481	ALCYHJYHRYFDOD-MBTHVWNTSA-N	435.487	3.947	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(N(C)C)c(Br)c2)c(OC)c1	408867579	LQMKTKGRGACLHA-CXUHLZMHSA-N	444.329	3.756	50	40	IHGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCCOC(C)C)c1	13769135	YBFHVPMYZYPXPM-XDJHFCHBSA-N	446.507	3.634	50	40	IHGB	
CCCc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9210271	IXJKXEAQNXIFPW-XMMPIXPASA-N	445.910	3.935	50	40	IHGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O	9347759	OGKNGECOKAVVCV-FMIVXFBMSA-N	429.263	3.837	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O	12275218	PYOYPDBXGIUQPA-ZHRRBRCNSA-N	426.469	3.573	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1)NCc1ccccc1	28213858	XZECOFDRKHFZMN-WGOQTCKBSA-N	433.533	3.624	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1O[C@@H](C)C(=O)O	409232406	OTXIXLVSOUQITC-CJAAZZPWSA-N	445.269	3.855	50	40	IHGB	
Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3cc(C(F)(F)F)nn3C)cc2)cc1C	1414061	FQQVBEGZLBIWRV-UHFFFAOYSA-N	446.429	3.710	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(SC)cc2)cc1I	672217	QCSSHNTXCGURFI-VCHYOVAHSA-N	426.279	3.786	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)c1	103114661	QRUDAZXIICQKFD-ORIIPUBOSA-N	427.136	3.586	50	40	IHGB	
COc1ccc(-c2cc(C(=O)NNC3=NCCC3)c3c(C)nn(-c4ccccc4)c3n2)cc1	3227347	CZZLEPWAAKSFKT-UHFFFAOYSA-N	440.507	3.831	50	40	IHGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1O	2317544	IAHLNBDZAMVIDD-FSJBWODESA-N	441.944	3.812	50	40	IHGB	
Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)Cn3ccc(C(F)(F)F)n3)c2)cc1	8825911	XOXJUOCTQRYYEB-BRJLIKDPSA-N	429.402	3.613	50	40	IHGB	
CN(C)c1ccc(/C=C/C=N/NC(=O)COc2ccc(I)cc2)cc1	9846048	KHOKGQYDWCCSED-WYYKBDRYSA-N	449.292	3.551	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	409028285	LCCQHTGXHVTXGN-KOEQRZSOSA-N	435.549	3.903	50	40	IHGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(C)nc2)cc1Br	30803216	RUVXSZRDIJFJAP-GXHLCREISA-N	427.096	3.688	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)cc(OC)c1OC	2679741	XBJRTORKESBLMK-QDPOXKPESA-N	448.475	3.744	50	40	IHGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(I)cc1	10118439	BIADYJVVBLHIPO-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1F	15227837	XBWFSYPYAFZTQD-SARUNTBLSA-N	446.482	3.889	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccc4c(c3)OCO4)cc2)cc1	32929370	LDRDJUGVIIURFJ-KWFUXGMBSA-N	444.443	3.807	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3OC)c2C)c1	33470369	PCJULXHZEOPLTN-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c1C	58914130	UNPRMXCYSBCKNU-QRQIAZFYSA-N	430.552	3.910	50	40	IHGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccccc1Cl	408845090	JWYMAEQXIDODDX-GRSHGNNSSA-N	427.686	3.688	50	40	IHGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	33404899	QOAOIJCKICFTJT-RIINJCHTSA-N	431.945	3.857	50	40	IHGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)cc1	58887832	OWDLNPBMIMJILI-RGXRWQALSA-N	433.508	3.983	50	40	IHGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Br	1102807	VSGFITWIDHEDNW-VTNJTDAWSA-N	426.108	3.704	50	40	IHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(N)=O)NC(C)=C1C(=O)Nc1ccccc1	1102354	RKQBSYQNXRHMIT-JOCHJYFZSA-N	448.548	3.638	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)c1	408968116	UHBSITCFYZZUDU-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OC	409130783	UVHWOSNABAUNQW-GOSISDBHSA-N	432.318	3.586	50	40	IHGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1	1097687	ZORMWYNJTQFJLZ-HXUWFJFHSA-N	431.404	3.629	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1	1326522	RVYLAHYEGFRGPB-CZUORRHYSA-N	433.390	3.520	50	40	IHGB	
O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Br)cc1	1444695	PXDZFTXWNPRKSJ-LSHDLFTRSA-N	428.208	3.947	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O	13750588	GRCJPJVIUDBVIW-BMRADRMJSA-N	428.492	3.993	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(Oc2ccccc2)cc1	20059680	ITNDEVXAECVITJ-BUVRLJJBSA-N	441.484	3.534	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br	23382592	JMBCIVZNCXRQEW-RDZUSDMXSA-N	435.318	3.603	50	40	IHGB	
N#C/C(=C\[C@H]1C[C@H](Br)C[C@H](Br)[C@@H]1O)C1CCC([N+](=O)[O-])CC1	104159855	OFJDVPKRJARGTD-SPAMLPJRSA-N	436.144	3.570	50	40	IHGB	
C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC	408567958	HDLZRPNYGGYAFP-OEAKJJBVSA-N	442.562	3.715	50	40	IHGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408967182	QHQOUAIHXGNKMS-CFRMEGHHSA-N	439.541	3.514	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br	2134860	JMPNKELTASOMOC-UHFFFAOYSA-N	438.709	3.591	50	40	IHGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl	2255861	HPJPWQIHRJZRDT-UHFFFAOYSA-N	449.319	3.906	50	40	IHGB	aggregator
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccn3)n2-c2ccccc2)cc1	8431261	NLEZEGJQIBBMDG-MYYYXRDXSA-N	428.521	3.880	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@H]2CN(Cc3ccccc3)CC=C12	35366055	DBMWCXFMDACMRF-GMAHTHKFSA-N	427.458	3.890	50	40	IHGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)[C@H](Br)C2=O	100749495	AVBXBGUDQFSJRL-RLCCDNCMSA-N	430.140	3.942	50	40	IHGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccncc1	101508287	ZMQPLZJLNZTOQI-CLCOLTQESA-N	435.281	3.525	50	40	IHGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1	408846745	RGZXEIKRVMYERV-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)O	408963397	NUMFAIGTSJRLEB-LIMNOBDPSA-N	430.766	3.595	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409012681	LCAQEORGMCGKBI-YSMPRRRNSA-N	447.491	3.550	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1	409147432	XUQABNOGHMFFGU-PGNNWUFWSA-N	444.241	3.801	50	40	IHGB	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)c1C	585079604	LBLZBCXYEICDNM-NJASAYKTSA-N	435.528	3.982	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@H]1COc2ccccc2O1	9088327	WTQWFKCPCZHMSR-RCECTWRXSA-N	427.800	3.798	50	40	IHGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C1/C(=O)Nc2ccccc21	9270707	VVSVHQONHZNJNG-UHFFFAOYSA-N	441.516	3.649	50	40	IHGB	
CCC1=C[C@](C)(CC)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32	9427271	BAULIXJSKKJMDG-IZZNHLLZSA-N	443.503	3.951	50	40	IHGB	
CCOc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=C3C(C#N)=CNN32)ccc1O	9577280	DBJJBIQUTBJCRX-QFIPXVFZSA-N	429.480	3.693	50	40	IHGB	
COc1ccc(C2=C(C#N)[C@@H](N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1	12444752	UXJBQFQVMZJNLU-FQEVSTJZSA-N	437.297	3.955	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C(Cl)=C/c1ccccc1	19363409	OFUXLXFLYQCGPC-JPCQLYNOSA-N	431.367	3.840	50	40	IHGB	
C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1	28218222	PHEZNWPGWQMBKH-WGOQTCKBSA-N	441.447	3.507	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c1	58913638	YWQWGJSABSVIDJ-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	59435892	FSZSAAKOTGJOJJ-UHFFFAOYSA-N	435.977	3.866	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C[C@@H](O)C[C@H]1C=C(/C=N/NC(=O)c2ccncc2)c2ccccc21	257173221	HAGTVSUBLANLCI-KAQIATRGSA-N	432.568	3.992	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cccnc1	8817345	SHDBMXMCVFAIDY-LKUDQCMESA-N	449.308	3.568	50	40	IHGB	
C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	9292348	MKLYFSJWFIPSDP-PWLTZZKVSA-N	442.338	3.969	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567590	AAFNJTOWFLYFEY-MHZLTWQESA-N	436.515	3.987	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OCc2csc(C)n2)cc1	16511741	WYQYTABYCCWUOK-UHFFFAOYSA-N	431.901	3.767	50	40	IHGB	
CSc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	39986456	INRXEUKOONOGIV-KQWNVCNZSA-N	445.610	3.882	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)cc1	408818143	ZLOHPUYRHQEEFV-YBEGLDIGSA-N	426.270	3.583	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC	409006365	IXZCWERXJXBXNJ-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc(O)cc1C	8992366	UVXUOABEVIKDDX-STZFKDTASA-N	426.476	3.929	50	40	IHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)c(N2CCCC2)o1	59249735	POGICWKJVZQIFY-FSJBWODESA-N	443.301	3.720	50	40	IHGB	
CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59515890	PTKOYTGVDRAVPO-HIXSDJFHSA-N	429.586	3.911	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(N(C)C)cc1	408603210	FCSBTBULOOXXSZ-NRFANRHFSA-N	445.548	3.838	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	408765602	WNUMULQTROMVSY-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1ccc(N(C)C)cc1)C(F)(F)F	408948696	DDGRXQSHJYAKND-XIEYBQDHSA-N	431.418	3.649	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)c1	408964198	BUWUWXNWWOGIAD-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1	409187888	VQHFVFFSTVJCEQ-NHDPSOOVSA-N	434.290	3.935	50	40	IHGB	
CCOC(=O)c1c(NC(=O)NN=Cc2cc(OC)ccc2OC)sc(C(C)=O)c1C	9367641	AESXGXJDJBIRTK-UHFFFAOYSA-N	433.486	3.609	50	40	IHGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	59417864	CEWSGIZPPBYRGV-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1Cl)c1ccccc1	408980495	RKPUWCMXGCXTLG-WQGFDPGOSA-N	433.892	3.685	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)OCCO2	8825062	WGYKWHJTWWUBND-WPWMEQJKSA-N	427.460	3.916	50	40	IHGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1OC	10387010	BEYOJXIPRDXYDZ-UHFFFAOYSA-N	438.875	3.551	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Oc1nc(Cl)ncc1F	15224549	RAYKDQYVVOHYBW-NUGSKGIGSA-N	445.794	3.742	50	40	IHGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1	408706744	CYTMCFSZSMUAOJ-WYMPLXKRSA-N	437.327	3.648	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1	408775781	RYBFHZQCSZCPCQ-ZVHZXABRSA-N	439.537	3.585	50	40	IHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)c(Cl)c1	409052040	FUZPAXPYNKQFQB-DNTJNYDQSA-N	425.666	3.638	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)c1	3148691	IQJRNGIMFXCKHS-UFWORHAWSA-N	442.107	3.755	50	40	IHGB	
C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	9345343	GOBCRITURFQQQL-FOTIKMNESA-N	432.299	3.562	50	40	IHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl	12797513	WFBXDUXWXPGJEU-LBPRGKRZSA-N	439.320	3.924	50	40	IHGB	
Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C	25444506	GRVMEAMEPQIESZ-UHFFFAOYSA-N	436.493	3.712	50	40	IHGB	
O=C(Oc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccc(Cl)cc1	32109239	KTXNMYOIYPBTEC-CLVGQAISSA-N	436.851	3.849	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	408980690	SIDXTUGPYWFLHJ-KDPMPHTCSA-N	431.492	3.715	50	40	IHGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3O)oc12	409096650	KNWNANSYDAGQSQ-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409237149	JQXCKNXBOLGTPM-KEBDBYFISA-N	435.347	3.663	50	40	IHGB	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	1095465	LAOAFTFWWQOQQJ-LDADJPATSA-N	426.476	3.561	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1433551	SFPPCRIRTMXIMO-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
O=C(CSc1nc(-c2cccs2)nc2ccccc12)NNC(=O)c1cccs1	3444519	XGRTXBSITJESQY-UHFFFAOYSA-N	426.548	3.973	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1cccc(OC)c1	8914589	UPCSCYIQJDRCAH-WDUNQMNWSA-N	441.940	3.829	50	40	IHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Nc1ccccc1	9441942	CFGUSYFXPVCAMR-UHFFFAOYSA-N	444.900	3.607	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)n2CCc2ccccc2)cc1	9562402	AKXFEGODCRSKDX-SILNSSARSA-N	433.537	3.614	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccncc3)n2-c2ccccc2)cc1	33341514	GHBSIHFPYAGCGV-MYYYXRDXSA-N	444.520	3.580	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1	96835914	WRNRUCXKGCDAAR-LBRHQESJSA-N	443.503	3.777	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1	408791198	WMQZIWALFKUTGY-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)oc12	409104504	JDZOBLBLRNHGCL-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1	1383861	CJBUKNQQNQANOR-UHFFFAOYSA-N	440.550	3.636	50	40	IHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2)c(OC)c1	3147422	ORFONFZDWHWYPA-CGUSJSPHSA-N	429.476	3.625	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)c2ccccc2C(F)(F)F)cc(OCC)c1OCC	14244748	KEZHSTWTURJLIK-UHFFFAOYSA-N	440.418	3.976	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	16186462	FCOTVSBOAQUOKF-DBXWQHBBSA-N	427.430	3.941	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	16691424	DMHLGSNRTNJMQO-JJIBRWJFSA-N	437.521	3.674	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	58652548	CCRKBTOPWJAEBH-AFUMVMLFSA-N	434.452	3.745	50	40	IHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc2c(c1)OCO2	59459325	XAGORRUPZSRELZ-LSHDLFTRSA-N	431.286	3.586	50	40	IHGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O	408675834	BOEVNLHOEGUCKD-LPYMAVHISA-N	432.318	3.918	50	40	IHGB	
CC(=O)N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1	408831147	PZFAGHWGMKKHOA-YDZHTSKRSA-N	445.928	3.794	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	409006044	HDUZYQKEDWBXNM-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)c1	8780956	TXZDASCVDKWLCQ-AUWJEWJLSA-N	430.844	3.756	50	40	IHGB	
COc1ccc(-n2c(NNC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1	870345	VKSJQOKPQJAKAE-UHFFFAOYSA-N	432.505	3.701	50	40	IHGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1	1007997	ZWMGOMOAMJCNSX-MFKUBSTISA-N	434.565	3.931	50	40	IHGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)c1ccccc1	28214387	FTYQJADWWKRNFY-IUGJCLRESA-N	445.519	3.781	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1OC	9328963	VCWRXQDEYFWOOQ-FQEVSTJZSA-N	448.479	3.719	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	33658896	PONMGVPJRRVAJI-AFUMVMLFSA-N	436.464	3.563	50	40	IHGB	
CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)[nH]n1	819978	WMHFGUPECJYTGP-CNHKJKLMSA-N	444.127	3.702	50	40	IHGB	
Cc1ccc2oc(C(=O)NNC(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)cc(=O)c2c1	12907936	BKVPEYHCXIAFDA-AWEZNQCLSA-N	428.872	3.600	50	40	IHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1	16779908	SJYFOLCZXRMKRV-IPHDDYSGSA-N	446.095	3.601	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	33660497	UJYFCBBLENKICU-SSDVNMTOSA-N	427.800	3.899	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1	408779736	JGIUZKYJPSDEJY-FSJBWODESA-N	447.866	3.665	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)c1	1434303	LEBIGWSAHZHJFP-AWQFTUOYSA-N	441.123	3.782	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	1444210	VQWBPLOKQJTOLS-OSPHWJPCSA-N	444.535	3.674	50	40	IHGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9369812	LRBJQSJGVOTHNQ-OQJYWTHUSA-N	441.409	3.945	50	40	IHGB	
Cc1cc(OCC(=O)NNC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)ccc1Cl	12556639	HKOXMEVSHGHJAW-ZDUSSCGKSA-N	432.933	3.545	50	40	IHGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccc4c(c3)OCCCO4)cc2)cc1	39969511	MEAJRVDAQJYIOV-UHFFFAOYSA-N	438.505	3.746	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59515865	WEWUDZLVLUYLBP-PCLIKHOPSA-N	435.549	3.645	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)c1Nc1ccccc1C	408706782	DPBMSCMTBBAIKD-JVWAILMASA-N	430.508	3.822	50	40	IHGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1	408707232	ICZKSCVSLMPQEY-DHRITJCHSA-N	440.887	3.842	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408746718	GEOGQHXMUZHZOC-MFOYZWKCSA-N	428.872	3.514	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(=O)OC	409218086	SNDRRCOBKPUGKU-SSDVNMTOSA-N	436.917	3.533	50	40	IHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCl)CC2	5437362	WRQYTVSIGKEZEJ-HNNXBMFYSA-N	449.956	3.804	50	40	IHGB	
CCOc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1	6146312	ZNJBWHBNBQFMIA-KGENOOAVSA-N	429.523	3.712	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1OC	6196133	IHKSXNPCNOLBHL-GOSISDBHSA-N	433.424	3.610	50	40	IHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)cc1	96309261	HGUCPOCQBQHHEY-QUYZQLMHSA-N	444.557	3.620	50	40	IHGB	
O=C(N/N=C\c1ccc(O)cc1)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408732463	RVKJKVNFAZSYOM-ZMFRSBBQSA-N	444.516	3.796	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Cl	408808873	FUTFNWACFKOUJH-CHHVJCJISA-N	449.290	3.777	50	40	IHGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408844892	JAQGNWZUBGJNDN-UUYOSTAYSA-N	427.254	3.980	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1	409006078	HKNNILRRGJTKHF-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)c(Cl)c1	958294	DLUDVJRHIGNWGB-LIMNOBDPSA-N	435.336	3.794	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2c[nH]nc2-c2cccc(Br)c2)cc1C	3080131	JPMVXXNPMOOMBX-LSHDLFTRSA-N	427.302	3.985	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	6163854	XETNAZMPNWUNLC-UDIPQKBFSA-N	447.988	3.941	50	40	IHGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20761160	SYXZJCQPMDIWNX-SSDVNMTOSA-N	428.286	3.649	50	40	IHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccs3)cc2)cc(OC)c1OC	59416317	CXDBPXCPIXGRFQ-YDZHTSKRSA-N	439.493	3.790	50	40	IHGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C	409010646	CYFWVSNWXMMORZ-QZLJHNFXSA-N	437.540	3.620	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	409197068	VGDMVCNHDVQCJG-GYEMRVNRSA-N	448.567	3.633	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	409361536	HNZUDPRIUYOSPI-MYYYXRDXSA-N	449.463	3.884	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)OC	409192747	AGEAVNGTSLBCJH-LSHDLFTRSA-N	425.268	3.708	50	40	IHGB	
CCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2OC)cc1	409368231	VAUYGFGRJCEKOY-XSFVSMFZSA-N	433.508	3.804	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cccnc1	3184108	MEOMCHHPEUTBMF-JFLMPSFJSA-N	435.443	3.805	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1	8780795	CAKQBWHETWVGDE-BUVRLJJBSA-N	443.389	3.877	50	40	IHGB	
N#CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21	12464412	ALMZJFNVNGADKM-NCELDCMTSA-N	431.279	3.543	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cn1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	13567740	ZPVDJHQHWJTQCR-DEOSSOPVSA-N	445.910	3.782	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cc(C(F)(F)F)ccc4Cl)[C@@H]13)[C@H]2Br	102643533	AVOGMGRQNJYIIC-ZNOWBECESA-N	438.627	3.868	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)c2C)c1C	108076035	AZZXGIVJVQKOSW-WGARJPEWSA-N	446.507	3.911	50	40	IHGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(O)cc3)c3ccccc32)c1	408541983	IOEDIOWBEJUEPY-VULFUBBASA-N	427.460	3.946	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccccc1I	408591892	VWKSBUUDJPEOAR-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1	408732487	VSLIIDBHDPWMFD-PXLXIMEGSA-N	430.578	3.596	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1OC	408762930	LWOCZLJSYIXOBI-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1Cl	409059142	PTHZQFFPXSYTSL-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccc([N+](=O)[O-])o1	987206	TYGPQYCWMDXASU-CYBMUJFWSA-N	428.202	3.559	50	40	IHGB	
O=C(CBr)Nc1ccc(Cc2ccc(NC(=O)CBr)cc2)cc1	1609224	JIGMSVSPBNFLSS-UHFFFAOYSA-N	440.135	3.944	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	2204794	IGFGOFDPQQXHAY-QFIPXVFZSA-N	447.466	3.580	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(I)cc1	3335148	PFHRZCIJUMOCLV-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1O[C@H](C)C(=O)N(C)C	6881504	SCJDGUOATUXSQP-GWUFWRHXSA-N	427.545	3.543	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	8427123	HOZGFVRJTODFOU-MUXKBQDCSA-N	426.520	3.982	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1OC	13586109	CPIYLCSBEICGHY-GOSISDBHSA-N	430.302	3.750	50	40	IHGB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NNC(=O)c1ccc(Br)cc1	16312133	LQIKBYMWAKRJJB-WOJGMQOQSA-N	427.302	3.607	50	40	IHGB	
COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	33712971	DKEIIEJYQREODI-MLPAPPSSSA-N	431.242	3.710	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Cl)Nc1ccccc1F	34690865	ZGDMTHOBWZSLPA-BRJLIKDPSA-N	441.846	3.966	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21	40137412	TYDFHTYVVPGCNM-VYIQYICTSA-N	449.894	3.665	50	40	IHGB	
CC/C(=N/NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(OC)c(OC)c1	96399187	XVBYYSDYEPTPRC-MOHJPFBDSA-N	439.541	3.669	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C	408709166	YHSPBLHANRDPOC-FSJBWODESA-N	431.334	3.786	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OCC	409363983	VXKPGDTWRHPPGK-FOKLQQMPSA-N	438.297	3.948	50	40	IHGB	
O=C(C=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NNC(=O)Nc1ccc(Cl)cc1	8733717	ORPROYBDZHDDJO-UHFFFAOYSA-N	429.864	3.628	50	40	IHGB	
CCn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21	14134300	GHVYNSBRSVWAQX-SSDVNMTOSA-N	446.292	3.828	50	40	IHGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)COc1ccc(Cl)cc1Cl	101124940	HMDXREMOMLSTCQ-FOKLQQMPSA-N	438.267	3.622	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	104478936	NSDHCBUVRBJTFP-AZPZLGTESA-N	429.451	3.800	50	40	IHGB	
NC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	409383884	NFQKTOSLMFWVOR-UFWORHAWSA-N	427.096	3.793	50	40	IHGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	408609938	MEDBSSBWRKTBNQ-JFLMPSFJSA-N	435.911	3.994	50	40	IHGB	
Cc1cccc(C)c1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)C	408706537	AZKLUDNWTDRZQL-SSDVNMTOSA-N	431.334	3.784	50	40	IHGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1[N+](=O)[O-]	408845679	QWWTZQGRDWCELB-AUEPDCJTSA-N	449.414	4.507	50	40	IHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(C(C)C)c(OC)cc1C	408905701	CPIYSSBPPDPAHC-XAOCGEIJSA-N	425.529	3.935	50	40	IHGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	409187314	OTRLNNZPLFOWQL-QRVIBDJDSA-N	435.509	3.902	50	40	IHGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21	2241099	QPMOBQRBOZBIKO-VZCXRCSSSA-N	426.501	3.532	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)N/N=C1\C(=O)Nc2ccc(Br)cc21	2277498	QHLSCFSFQMMBQW-UHFFFAOYSA-N	447.339	3.624	50	40	IHGB	
CCOC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2	4010293	GSTDRKOCXKCBBS-FQEVSTJZSA-N	434.427	3.665	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)c2ccc3ncsc3c2)cc(OCC)c1OCC	12868815	TWFLHVFHCQPXEK-UHFFFAOYSA-N	429.498	3.567	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1	20344764	PMMQGUFSVPCJOS-YDZHTSKRSA-N	439.313	3.945	50	40	IHGB	
O=C(NN[C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(F)cc1Br	89825763	VALPXAJWKPBMDJ-SFHVURJKSA-N	434.309	3.576	50	40	IHGB	
Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(Br)cc2)C1=O	1790773	INXHYDBSQIHHJC-XUMLYMLNSA-N	442.338	3.669	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c(C)c1	16284785	CWXQGQXSAYFFBJ-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@@H]2CN(Cc3ccccc3)CC=C12	20522450	DBMWCXFMDACMRF-GGAORHGYSA-N	427.458	3.890	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)c1	408591970	WTYIBCIDTRSPBN-DHRITJCHSA-N	433.464	3.763	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br	408879420	GCYBRFKMHGCKGW-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC	409184952	ZDOZGYMWOATBHI-RGVLZGJSSA-N	434.246	3.695	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(Cc2ccc(Br)cc2)CC1	8780793	IUSMGVBUMVZHTG-LPYMAVHISA-N	445.317	3.720	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)c1	8811126	ZTTTXPUWPNOJGY-JFLMPSFJSA-N	445.475	3.927	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2nccs2)=C(C#N)[C@H]1c1ccco1	1816706	UOFFWKQXWHHBAY-KRWDZBQOSA-N	442.522	3.533	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C	408708783	SRZQJVSWGNEVFN-GIBNKNSKSA-N	436.512	3.582	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NCc1cccs1	111902999	GYBMLIGFAHONFV-QGOAFFKASA-N	432.549	3.939	50	40	IHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cccc(C)c2)cc1OC	409228062	ZTAIIGCTCDFIIH-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Oc1nc(Cl)ncc1F	32109567	RAYKDQYVVOHYBW-AQHIEDMUSA-N	445.794	3.742	50	40	IHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21	46084835	ZLPBQHQNVRRJMX-VYIQYICTSA-N	433.895	3.829	50	40	IHGB	
CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OC)c2OC)sc(C(C)=O)c1C	12413667	JNLXLJNKNWEHQG-UHFFFAOYSA-N	433.486	3.609	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)n1CCC(C)C	3380926	CYZRXEINVJXTKY-VXLYETTFSA-N	437.496	3.969	50	40	IHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)n1	13147205	UBWIKRFDXMHHCG-GOSISDBHSA-N	432.484	3.943	50	40	IHGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)sc(C)c1C	409196710	YTBXHWZVIKCXAZ-VBIXMBBUSA-N	441.553	3.761	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccs2)cc1OC	409012405	JUYMETNZZHPEST-QRVIBDJDSA-N	439.493	3.547	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1cccs1	408879046	AIACAXLRUYDUMJ-PXLXIMEGSA-N	431.514	3.623	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1	19926284	UCIMPBXPASSCJS-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cncc(Br)c1	2356025	CRNHITAHQPXRDW-CLCOLTQESA-N	435.281	3.525	50	40	IHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc(-c2ccncc2)nc2ccccc12	6191280	AJPZPDAGWATHAS-MTDXEUNCSA-N	437.503	3.897	50	40	IHGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O	8842956	WIENPVCVNMAYIC-ODCIPOBUSA-N	446.179	3.775	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)c([N+](=O)[O-])c1	9355275	OKERANLABFANRX-WSDLNYQXSA-N	439.449	3.713	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](OC)c3ccccc3)cc2)cc1	28214427	KQKRMWWAZIROMX-RGXRWQALSA-N	447.491	3.551	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1	108259905	DKCNLPSFOIQTAC-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1	408782665	IOPBCYIDJHFPAZ-UHFFFAOYSA-N	425.860	3.561	50	40	IHGB	
O=C(CCl)O[C@@H](c1nc2ccccc2[nH]1)[C@@H](OC(=O)CCl)c1nc2ccccc2[nH]1	408973936	CTOPLPJBEVLQGC-QZTJIDSGSA-N	447.278	3.786	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccn(Cc2cccc(Br)c2)n1	1081816	NRFOTNAKRPGBHL-UFFVCSGVSA-N	433.693	3.817	50	40	IHGB	
O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccccc1F	1434311	MPSJOKCSBTWOSV-DNTJNYDQSA-N	429.087	3.913	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1cccs1	15231298	YBWKBYNRIKXGSF-PXLXIMEGSA-N	431.514	3.623	50	40	IHGB	
CCCOc1ccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851618	VIJVHFYQMCGOQJ-NZQKXSOJSA-N	431.540	3.618	50	40	IHGB	
Cc1ccc([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	20094991	HHGCBYHATNQVIL-BJKOFHAPSA-N	443.528	3.729	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2)c(OC)c1	27563596	VTHIICQDYNSNIB-LFIBNONCSA-N	426.856	3.542	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(N3CCCCC3)o2)c1	34691131	FTUSMYKZSZXAIF-CIAFOILYSA-N	436.306	3.814	50	40	IHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)ccc1Cl	59433324	PYOYPQPQCWFLEX-FSJBWODESA-N	441.827	3.988	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1	107640946	GTRRBWZTRGLQNZ-UCQKPKSFSA-N	434.408	3.775	50	40	IHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccs3)cc2)S(C)(=O)=O)cc1	409027674	DKRHRIKPPJNMCO-HYARGMPZSA-N	427.551	3.787	50	40	IHGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1Cl	1097131	ZCEPYDLBJPJAQD-LGMDPLHJSA-N	448.910	3.699	50	40	IHGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(Br)o1	1434815	NVTFREAUYQGFBB-UBKPWBPPSA-N	436.487	3.987	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O	2309188	MZFGPDUJXCJYLP-NVNXTCNLSA-N	440.297	3.910	50	40	IHGB	
CCCCOc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(OCCCC)cc2)cc1	4292834	ZIQARKWAZVGNLM-RPCRKUJJSA-N	438.528	3.645	50	40	IHGB	
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	9633648	YXYGSNNCFJEPMI-UHFFFAOYSA-N	440.481	3.567	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1	12750110	YLDUMDIPOUKORD-UHFFFAOYSA-N	446.916	3.569	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl	20493190	MPDTWLYUOQGIOH-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1	36235387	WDSSOTDHCRQFSB-ACVHBWFCSA-N	441.487	3.899	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC	101490309	OTRAMYHUEGRGIV-PXNMLYILSA-N	430.464	3.646	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1	1473921	GURDOUNVDOLUIM-SRZZPIQSSA-N	444.904	3.769	50	40	IHGB	
N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@H](C#N)C12CCCCC2	8741230	QTSFDKRPYBHZTI-ZDUSSCGKSA-N	437.550	3.923	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	408606677	ACEIMVABYNSVOK-VSWHYLHOSA-N	449.482	3.741	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408790838	ZHYMAVBHCJMMHH-NTEUORMPSA-N	445.269	3.555	50	40	IHGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	409371404	WIWICXFKTTZEMI-NBVRZTHBSA-N	443.459	3.964	50	40	IHGB	
COc1ccc([C@H](Br)[C@]2(Br)SC(=S)N(C)C2=O)cc1	13547349	YIUGBUUADOVCKP-CABZTGNLSA-N	425.167	3.713	50	40	IHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	24490331	JRTIBKUXBRLDML-UHFFFAOYSA-N	434.496	3.769	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1OC	24748503	RBGGKHDNXCRYRT-UHFFFAOYSA-N	436.512	3.751	50	40	IHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1	32519931	CIXLFFSTDGWCOA-KEBDBYFISA-N	433.331	3.967	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I	408798854	WYZYDFVQHCSPIW-KPKJPENVSA-N	449.204	3.754	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1cccs1	408825664	BKPIMRRHFANECY-OQKWZONESA-N	427.551	3.792	50	40	IHGB	
CCCCOc1cc(Br)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	409198120	XPKAXCNEKBRBIR-LRQZKABGSA-N	437.334	3.839	50	40	IHGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	409362547	RHIKODSBRDPKNO-DJKKODMXSA-N	426.108	3.918	50	40	IHGB	
Cc1cccc(CN(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)c1	2163152	ICVXHJOXPZRFFZ-YDZHTSKRSA-N	445.928	3.583	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	8934954	TUMRTXWOAJYIMK-IBGZPJMESA-N	448.479	3.719	50	40	IHGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1	408604989	JKYKMWIHLIPBTL-LJQANCHMSA-N	431.492	3.770	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc(Cl)c1Cl	408908606	WOVXHUHVTKXQLA-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1)C(=O)O	408952846	WAZOTEJGCGHEJT-JYQBEENSSA-N	431.242	3.811	50	40	IHGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(C)C)cc3)c(C)c(C#N)c2=O)cc1	409059783	OJFRQWLDWWOPTP-DICXZTSXSA-N	443.507	3.699	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2cc(OC)ccc2OC)sc(C(C)=O)c1C	945254	AESXGXJDJBIRTK-UFFVCSGVSA-N	433.486	3.609	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1O	1092720	FYROELBQXYRXRY-AWQFTUOYSA-N	427.682	3.736	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1OCC	3067344	OHXVJYCGAOKBIE-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(O)c(Br)c1	83326697	FTKHKOQGKDPWFR-UWVJOHFNSA-N	430.071	3.749	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408708961	VSGRQGOKXVLNHY-OFJBCHTGSA-N	431.334	3.866	50	40	IHGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408797762	SPVUNCHXZVCROH-RVDMUPIBSA-N	429.270	3.937	50	40	IHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	4155555	BEKLHZPWJXRMTQ-ZOCVZFIWSA-N	427.284	3.937	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	59334955	KVCJNUSVCAIATD-SXGWCWSVSA-N	429.270	3.721	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C	408706917	FDESXNBBLVWTFR-FSJBWODESA-N	429.318	3.562	50	40	IHGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408707221	HZLBHNFIFWNCLY-FOKLQQMPSA-N	435.297	3.554	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C	408708784	SRZQJVSWGNEVFN-JPMRSZNZSA-N	436.512	3.582	50	40	IHGB	
O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1cccc(Cl)c1	408726990	WSPOFKSAIYGMTI-UHFFFAOYSA-N	430.944	3.654	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1	409020622	RDTDVIFVOQDNIF-WGARJPEWSA-N	435.455	3.924	50	40	IHGB	
C/C(=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)c1ccc([N+](=O)[O-])cc1	9353779	VFKOFYFUOAXYAB-CIAFOILYSA-N	444.904	3.676	50	40	IHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	12579253	JMOQSALLJWDBOD-UHFFFAOYSA-N	431.492	3.932	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)cc1)S(=O)(=O)c1ccccc1	16162386	ZHCOYPBAIIQOON-KOEQRZSOSA-N	435.549	3.903	50	40	IHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)CCCc1ccc(OC)cc1	19646204	WMWNCPXWLOIENX-OGLMXYFKSA-N	447.535	3.836	50	40	IHGB	
NNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1	57058874	SILVWUCDLGEBMW-OAQYLSRUSA-N	443.334	3.915	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1	408970655	JVHLAHCLEBYDBF-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1	409325225	XYFKBJODUPVGRY-LJQANCHMSA-N	449.532	3.801	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1Cl	409354882	AHAKCKJFXMSEGG-ZVBGSRNCSA-N	426.698	3.682	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1ccncc1	1295288	SEGGOPJNNORBTO-WPWMEQJKSA-N	443.532	3.722	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)n1	409239715	DIUILUFDEYILTH-DHRITJCHSA-N	431.521	3.787	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1O	829885	LOXRDPBEGXUHJP-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCOc1cc(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)cc(OCC)c1OCC	9137541	MLZFLESEDBZBMG-ZVHZXABRSA-N	446.500	3.672	50	40	IHGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3)c3ccccc3n2)cc1OC	9949826	ZXVGJJUVZRTEAI-UHFFFAOYSA-N	427.460	3.994	50	40	IHGB	
C/C(CC(=O)Nc1ccc(I)cc1)=N\NC(=O)c1ccccc1C	13381848	QGDZHNARWVYDDF-FYJGNVAPSA-N	435.265	3.734	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1F	15227836	XBWFSYPYAFZTQD-CNEDASOKSA-N	446.482	3.889	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(Cl)c(Cl)c1	15231236	OQDDTHRYNODBTF-KBKYJPHKSA-N	444.322	3.562	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408870271	SLZXRZBEICRSIT-MKMNVTDBSA-N	446.257	3.727	50	40	IHGB	
O=C(N/N=C/c1ccccn1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973281	LBUCCWGXJSFOQT-RGXRWQALSA-N	430.533	3.662	50	40	IHGB	
O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1092097	SGLLWDSOYBTHQY-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
CN(C)N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1C[C@H](c1ccccc1)CC2=O	1440863	OVDIXDDUODAAMS-JTSKRJEESA-N	429.480	3.565	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1	2231320	CCMBCYGZIKLVSF-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1NS(=O)(=O)c1cccs1	12529355	POSYUJQFCWGVAJ-RGVLZGJSSA-N	435.914	3.672	50	40	IHGB	
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)cc1	13134839	VVPAJEKYWOKLJQ-UHFFFAOYSA-N	437.496	3.940	50	40	IHGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287506	GFYHMFPCBKSNLN-MRXNPFEDSA-N	430.427	3.778	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	34702686	JPSXFBWJLJEXBF-UCQKPKSFSA-N	434.408	3.775	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccccc1O	40137618	KFEYWNAEGAIZEP-DAFNUICNSA-N	435.867	3.605	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)cc1	108993348	RJJSEEAIDNNBIU-LPYMAVHISA-N	425.286	3.962	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(F)cc1	408606675	ACEIMVABYNSVOK-JEWIKEISSA-N	449.482	3.741	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408609869	SIRVJJVCAHSTGI-JVWAILMASA-N	435.911	3.728	50	40	IHGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccncc1)OCc1ccccc1	408738341	RNSBAHNQUVSWFA-JSPCPOQUSA-N	441.491	3.551	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1O	408951704	MJPJUWDSAQXSQW-NVNXTCNLSA-N	440.297	3.910	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC	408978997	KTLVTCMWEBPEEB-AZVXTCMLSA-N	431.492	3.715	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	1101283	YZDMSULLZGUSNY-MZJWZYIUSA-N	430.439	3.787	50	40	IHGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(I)c2)cc1C	3117353	LBVJXHLRXILWIX-CIAFOILYSA-N	449.292	3.777	50	40	IHGB	
O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1	35351473	NAEQWMBBPJMLKP-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
CCOC(=O)c1c(N)c(P(=O)(c2ccccc2)c2ccccc2)cn1-c1ccccc1	101424846	OGPPSPDRYABPJH-UHFFFAOYSA-N	430.444	3.876	50	40	IHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408708619	RLDWDTNAQDTLOW-AFUMVMLFSA-N	446.463	3.534	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1OC	408761506	GDQFYVWVQLUTII-MDWZMJQESA-N	434.233	3.854	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1	6196446	KAZMIGWFDWPOCM-SFHVURJKSA-N	448.479	3.719	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1CC(C)C	14015956	YZULLHATKZZERK-BUVRLJJBSA-N	444.601	3.699	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408540958	AAZQTIUTTMIVPD-ROTLSHHCSA-N	447.447	3.519	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1OC	408608935	XSIIBCIYQJWJAT-HXUWFJFHSA-N	432.505	3.780	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OCc1cccc(C(=O)O)c1	408966536	MBOZMKLMSJGPRR-UVHMKAGCSA-N	447.422	3.747	50	40	IHGB	
Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2[N+](=O)[O-])s1	408992033	QCRORFOEHSYEIX-NTUHNPAUSA-N	427.467	3.722	50	40	IHGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(Br)ccc1O	409063756	MUDJICIGUQXZJE-RGVLZGJSSA-N	435.278	3.673	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccccc1C	409206972	XVLDWHFJPFZUIQ-JCZXDDDQSA-N	436.508	3.664	50	40	IHGB	
CC(=O)NCCc1ccc(C(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CC(C)C)c2C)cc1	8878954	BGADCJJWAIOSRZ-ZMOGYAJESA-N	449.551	3.773	50	40	IHGB	
C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	9914809	GOBCRITURFQQQL-AFMLGWFNSA-N	432.299	3.562	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccccc1	10059613	OFCQYTRPTLQTFC-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)c1	409359212	AEECPQPCJGFBLX-MFKUBSTISA-N	434.448	3.587	50	40	IHGB	
O=C(N/N=C/c1ccc(O)cc1)c1nn(Cc2ccc(Cl)cc2)cc1Br	1086911	PLHBVISSGQOLAW-ZVBGSRNCSA-N	433.693	3.817	50	40	IHGB	
CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1OC	4357918	ICXZEWLSHSLHPF-BUVRLJJBSA-N	427.505	3.792	50	40	IHGB	
O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(-n2cccc2)c1	409106969	QGEUGACRKJGVKP-JAIQZWGSSA-N	429.230	3.618	50	40	IHGB	
Cc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)C[C@@H](C)CC3	1326225	AHTQYVZLFVWRBD-LBPRGKRZSA-N	432.615	3.944	50	40	IHGB	
N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1	9440707	WMWIMWYSXLQVMT-MTDXEUNCSA-N	440.503	3.591	50	40	IHGB	
COCc1c(C(=O)NNC(=O)CNc2nc3ccccc3s2)sc2cccc(F)c12	12789893	DBTWSZZZZAMRQQ-UHFFFAOYSA-N	444.513	3.670	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	30843148	DCEGJJGRTDGKMW-QFEZKATASA-N	447.447	3.960	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(Cl)c2)cc1	408788383	FCMMIHYPAJSEAV-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1ccc(Cl)cc1	409226492	UHWBMYDRVZHIIP-KPKJPENVSA-N	434.677	3.512	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1ccc(OC)c(OC)c1	1477993	TVYMXERKLLOGRL-YDZHTSKRSA-N	439.541	3.533	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OCc1ccc(F)cc1	2630300	UEAVIJWUOCXOTC-NSZYMRRGSA-N	436.439	3.703	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1	13100632	OLDMISZUQDOUFZ-BUVRLJJBSA-N	428.521	3.874	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	20213914	SWBVBQKLHKNVQB-LYBHJNIJSA-N	429.586	3.929	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2OC)cc1OC	28217726	XVAQBSKVVQQSST-WSDLNYQXSA-N	449.301	3.560	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1C	28617608	YQQJJRQAPAGIPW-WGARJPEWSA-N	432.480	3.570	50	40	IHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1	58913431	VTHKGUFZRADTFC-WGOQTCKBSA-N	448.523	3.980	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)ccc1OCc1ccccc1	409322233	LFJGCPLVHKDOMM-YSMPRRRNSA-N	448.475	3.892	50	40	IHGB	
C[C@H](CC(=O)NNC(=O)CC1CCCCC1)CC(=O)Nc1cccc(Br)c1	9850327	CTYKICNKDVMNDE-AWEZNQCLSA-N	438.366	3.922	50	40	IHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccc1[N+](=O)[O-]	59459341	FHEXTSNTHDJBGB-SRZZPIQSSA-N	432.274	3.765	50	40	IHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	408828193	JGRAXXSVDNMPDU-FYJGNVAPSA-N	433.942	3.747	50	40	IHGB	
CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2Cl)c2ccccc21	409157520	VYZZXVLQIQMDNX-KWJLSGNOSA-N	440.931	3.909	50	40	IHGB	
C=C[Si@]1(C)O[Si@](C)(c2ccccc2)O[Si@@](C)(c2ccccc2)O[Si@](C)(C=C)O1	2002125858	YFYDPUWQTWJMDA-PUHABZHSSA-N	444.784	3.619	50	40	IHGB	
CCCn1c(SCC(=O)NNC(=O)c2ccc(N(CC)CC)cc2)nc2ccccc21	12660448	DTDMQDOMERTERS-UHFFFAOYSA-N	439.585	3.846	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(Cc2ccc(F)cc2)c2ccccc21	16741428	CCZJCQKBKUDTBK-AREMUKBSSA-N	443.478	3.978	50	40	IHGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36062054	HQVXCHNMYUBHLJ-SRZZPIQSSA-N	428.242	3.909	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1	408707379	JRYSJQUWMWBFAZ-FSJBWODESA-N	431.334	3.786	50	40	IHGB	
Cc1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C	1452677	GFJPKRWRUTVMFJ-LFIBNONCSA-N	437.297	3.793	50	40	IHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1	5860248	OKFLDWQTSJOGMG-FQEVSTJZSA-N	426.513	3.516	50	40	IHGB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)cc2)C1	100861346	GDXIOJXVDCELIX-CULCSUMMSA-N	436.537	3.587	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	408598643	GXUHRWNRPGIXIE-WYMPLXKRSA-N	426.856	3.818	50	40	IHGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	409323039	MPKSAEJPTVWVPZ-NHDPSOOVSA-N	437.290	3.638	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2255399	OUHGUPYGRHXXGW-NRFANRHFSA-N	447.878	3.805	50	40	IHGB	
Cc1ccc(NC(=S)NNC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c(C)c1	2795533	RIQLXVPBMOEOGO-GFCCVEGCSA-N	438.395	3.533	50	40	IHGB	
CC[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	4295294	KGJKDPGICCIVAN-ORMOWBNMSA-N	446.326	3.952	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2ccc(Cl)c(Cl)c2)nc1	12644029	ZIGKZROBCHNSSN-UHFFFAOYSA-N	432.333	3.568	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2ccccc2OC(=O)c2ccc3c(c2)OCO3)c(C)c1	30734274	ATLARRSPPGSQJO-ZMFRSBBQSA-N	446.459	3.780	50	40	IHGB	
O=C(CCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	31687630	VGNYMYYPQZBUAR-HJVIKEODSA-N	430.552	3.825	50	40	IHGB	
COc1ccc(SCC(=O)N/N=C\c2ccccc2I)cc1	33719948	JAQRRRKYNMDNSI-ZDLGFXPLSA-N	426.279	3.542	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(OCc4ccccc4)cc2)[C@@H]13	101052583	HWOLTBXNTJDQBE-JWLCQNFESA-N	442.309	3.775	50	40	IHGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	408608831	PXKHOTYUKJPXTO-JVWAILMASA-N	435.911	3.728	50	40	IHGB	
Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408690167	ZWWPYVODOUQVLC-BQVODAHPSA-N	443.135	3.575	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(I)cc1	408772651	GNIIYRDRYKLYIE-YBFXNURJSA-N	428.657	3.864	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1C1CCCCC1	859177	LPVVCSIZVKASDS-LJQANCHMSA-N	425.554	3.714	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1	1473793	FJWPUYIBQMPTHS-MFKUBSTISA-N	428.517	3.937	50	40	IHGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(C(=O)O)cc1	10040209	AWDQKTMUIYTGPS-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C(/C)c2ccccc2O)cc1OC	100301630	SHXADTJYKPNLDS-YSMPRRRNSA-N	433.464	3.816	50	40	IHGB	
C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	255990746	NSZFIOJKHRFXHS-DNVCBOLYSA-N	430.457	3.999	50	40	IHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1	409139256	AYTHIYFBDPJCBR-SSDVNMTOSA-N	427.800	3.899	50	40	IHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CCCCC2	2211184	SULQIMUTUQYHKX-FSJBWODESA-N	447.944	3.936	50	40	IHGB	
COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccccc3O)cc2)cc1OC	8426912	IFCXABUOSQEJOB-CVKSISIWSA-N	433.464	3.816	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccccc3F)nc12	9291965	PDDTUJPSYBJLBW-FOWTUZBSSA-N	444.422	3.751	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(I)cc1	10118578	HDZMZQIYIFCVGE-VIZOYTHASA-N	435.084	3.879	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O	13810560	MZFGPDUJXCJYLP-OVCLIPMQSA-N	440.297	3.910	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1	20209620	HIYACMNYMCSQFW-ZMOGYAJESA-N	441.940	3.508	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Br)c(Cl)c4)[C@@H]13)[C@H]2Br	138776778	XKMPKJDRBUFAOQ-ZNOWBECESA-N	449.526	3.612	50	40	IHGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CN2CCOCC2)cc1	408726263	KSNOFENTPJAHAW-OVVQPSECSA-N	429.520	3.862	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(OC)cc2OC)cc1	408808403	GHVCKBRWRKGYLQ-NVNXTCNLSA-N	431.286	3.698	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Cl)c([N+](=O)[O-])c1	408860188	WOEHGATVSNBDQL-NGYBGAFCSA-N	426.610	3.503	50	40	IHGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408888182	XRRXLHCLIULSCX-YDZHTSKRSA-N	431.364	3.931	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2cccc3ccccc23)c1	409390872	GBYHALFQKFMHDD-FOKLQQMPSA-N	428.286	3.879	50	40	IHGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	12808772	PYHFEGOUKPGDJY-UHFFFAOYSA-N	431.349	3.586	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1	19948687	FWIWLOTWVNHITL-HZHRSRAPSA-N	425.510	3.749	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1	33337386	CFKKRWPLSCXJBG-KSEXSDGBSA-N	443.872	3.719	50	40	IHGB	
Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(C)cc1Br	102644846	FWRIMMHLVVHWPA-UPOJRHOVSA-N	443.135	3.575	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@H]1c1ccc2c(c1)OCO2	1431686	NWZSATVCGLNUSI-QFIPXVFZSA-N	435.439	3.938	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccccc2)cc1	1478268	PPMKGPUKJXESGM-OEAKJJBVSA-N	433.493	3.778	50	40	IHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	3092490	SFYDCTRBOAETOD-LSHDLFTRSA-N	443.257	3.778	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1	3238567	YYPPWGLRTWWPOM-OEAKJJBVSA-N	443.912	3.913	50	40	IHGB	
Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1ccccc1-n1cccc1	12815955	KCCFRNUCMBPUPW-UHFFFAOYSA-N	447.520	3.844	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\C(Cl)=C\c1ccccc1	19849464	CRMDNXFHIRTPIG-JTEZLUQPSA-N	431.367	3.840	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccccc1Br	20760530	SZWOORBUQXNRTD-CAOOACKPSA-N	427.052	3.884	50	40	IHGB	
CC(=O)N/N=C\c1cc(Br)ccc1OCCOCCOc1ccc(C)cc1	34262180	YSSUSBQKUPGRBG-HMAPJEAMSA-N	435.318	3.702	50	40	IHGB	
O=C(COc1ccccc1)N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21	46084823	XAJOPDBCFYLRFV-VYIQYICTSA-N	449.894	3.665	50	40	IHGB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/C(C#N)=C3\Nc4ccccc4N3C)cc2)C1	100861344	GDXIOJXVDCELIX-IHIJCHFRSA-N	436.537	3.587	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br	408748202	ZZNTWXHGQMWFPC-YVLHZVERSA-N	443.297	3.614	50	40	IHGB	
CCOc1cc(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O	408905623	ZXHLHSPWUPJXHK-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
O=C(N/N=C/c1cccc(O)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br	1091982	JVQZLDMEPVRNQK-ZVBGSRNCSA-N	433.693	3.817	50	40	IHGB	
O=C(O)COc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1Cl	408847621	QSTHSMNMKFWAMJ-UWVJOHFNSA-N	426.654	3.722	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC	408978999	KTLVTCMWEBPEEB-WATSXHCISA-N	431.492	3.715	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2nn(-c3cccc(Cl)c3C)c(=O)c3ccccc23)cc1	8888350	GDSILGJBSAKPME-UHFFFAOYSA-N	446.894	3.731	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1	408736769	HIKQFQUSUDFODI-BTSCWMHGSA-N	436.512	3.620	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	778294	NNXHURAKEUQAML-SDNWHVSQSA-N	427.869	3.793	50	40	IHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NNC(=O)c2ccccc2Cl)cc1	8861250	ZJDCYCSYNPMNJX-RCCKNPSSSA-N	449.894	3.581	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	9290568	CJILFUIOLQDPLI-SFHVURJKSA-N	433.424	3.610	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2cccc(O)c2)nnc1-c1ccc(Cl)cc1	13582790	SEOSTYPUJPLGEG-XKZIYDEJSA-N	429.933	3.957	50	40	IHGB	
Cn1[nH]c(=O)c2c(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc(C3CC3)nc21	31811578	RFEJMNHOVXBGJW-UHFFFAOYSA-N	426.691	3.856	50	40	IHGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=C(/C#N)C(N)=O	33665732	VUFSXISOAVVUSS-MNTXUITRSA-N	442.338	3.669	50	40	IHGB	
Cn1cc(Nc2cccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2)cn1	78995389	SUUAUAMYKRGMMY-UHFFFAOYSA-N	441.491	3.671	50	40	IHGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1	408927163	ZULTVDKBJQWEIB-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc2c(c1)OCO2	6544935	IMZKAMWQKHLUDC-HXUWFJFHSA-N	446.488	3.501	50	40	IHGB	
CCCCN1C(=O)/C(=N/NC(=O)CCCCCNC(=O)c2ccccc2)c2cc(C)ccc21	8756653	VDMQXHQRQBNPGC-RMLRFSFXSA-N	448.567	3.952	50	40	IHGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1	9793004	OVQDEMAUDVTIIE-AWEZNQCLSA-N	432.977	3.703	50	40	IHGB	
O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)NNC(=O)c1ccc(Cl)cc1	34791679	MUZADBBCWWFFPL-UHFFFAOYSA-N	447.907	3.879	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSCc1cccc([N+](=O)[O-])c1	408727980	UFTMKJQTTZCBHY-DJKKODMXSA-N	438.303	3.749	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1	408883112	RJGLPDGAPZFOQC-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(OC)cc3)c2C)c1	408966367	LFKBNHTWKDDUQY-QQXSKIMKSA-N	433.508	3.972	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CSc2cc(C)nc3c(OC)cccc23)c1OC	871170	SYJSVKYJLGTLCU-FSJBWODESA-N	425.510	3.811	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Br)c1	1052419	JDDPHPBSECWDFJ-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1	1326524	RVYLAHYEGFRGPB-BBRMVZONSA-N	433.390	3.520	50	40	IHGB	
O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)NNC(=O)c1ccccc1F	9223315	XUARFNRZNXECNF-SFQUDFHCSA-N	442.443	3.571	50	40	IHGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(OCc2ccccc2)cc1	9581279	HWOLTBXNTJDQBE-APNJTCTJSA-N	442.309	3.775	50	40	IHGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1sc2ccccc2c1Cl	13134369	YJJHGXUHRDVPJC-UHFFFAOYSA-N	442.972	3.528	50	40	IHGB	
CCOc1ccccc1C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	14234305	NHQQZWMGMGPVIW-UHFFFAOYSA-N	436.537	3.859	50	40	IHGB	
CC1=C(Cl)C(=O)C(Cl)(Cl)[C@@H](Cl)/C1=N\S(=O)(=O)c1cccc([N+](=O)[O-])c1	16779906	SJYFOLCZXRMKRV-TZQXVGBESA-N	446.095	3.601	50	40	IHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@H]1CCC[C@H](C(F)(F)F)C1	26293136	AYANVVFGOIFSDS-KBPBESRZSA-N	425.407	3.924	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccc(OCc2ccccc2)c1	32576927	JCZSFFUNQKDJSI-USHMODERSA-N	442.563	3.534	50	40	IHGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1OC	408878007	ZZOUXWJGVAEBQF-ZNGVPYHYSA-N	434.246	3.538	50	40	IHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC	409148025	XTOPPQIIIAGWKK-JOCHJYFZSA-N	439.556	3.867	50	40	IHGB	
CN(C)c1ccc(-c2ccc3cc(C(N)=O)/c(=N/NC(=O)c4ccccc4)oc3c2)cc1	1889300391	VMWFSMHPFCZFFW-FVDSYPCUSA-N	426.476	3.510	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2O)nnc1-c1ccc(Cl)cc1	949926	ZNQCPSCFXYLCNH-XKZIYDEJSA-N	429.933	3.957	50	40	IHGB	
O=C(CSc1ccccn1)N/N=C/c1cc(Br)cc(Br)c1O	9086471	SGMGXSRBSRYUBQ-CNHKJKLMSA-N	445.136	3.555	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c(C)c1	408787239	VPPSWXAVIXSNFN-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409165469	YMWCNTUQLLQLDR-VYYCAZPPSA-N	447.491	3.700	50	40	IHGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)sc(C)c1C	409196709	YTBXHWZVIKCXAZ-SZVPOVDMSA-N	441.553	3.761	50	40	IHGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1	713269	VYFIYBPPGYYYJY-QFIPXVFZSA-N	429.480	3.966	50	40	IHGB	
C[C@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	9062477	AYQRISORCMOOSL-JTQLQIEISA-N	431.861	3.931	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2ccc(OC(C)C)cc2)ccc1I	408747246	LARIDLLDTQPLSP-RGVLZGJSSA-N	438.265	3.851	50	40	IHGB	
N#CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408979727	OGBNESSMEALHTQ-MORQCWLFSA-N	426.476	3.600	50	40	IHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	409143235	MBSNANYMROQPEP-MOPGFXCFSA-N	442.924	3.890	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(C)(=O)=O	409185120	JLTZVZNWDVNQTR-HKOYGPOVSA-N	429.586	3.875	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc21	6280380	NOCFHJYREJEVEP-CPNJWEJPSA-N	430.508	3.566	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O	20212822	HJHXIDMHODSLHF-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(C)n1-c1cc(Cl)ccc1Cl	58912396	IBEVGDBASJYQEH-RPPGKUMJSA-N	444.322	3.562	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1	63224999	SEOHQMLECXEJLG-FDCKDHBTSA-N	431.496	3.701	50	40	IHGB	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C[C@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1	101337211	QFSILWILFSVOCZ-BCVDLATCSA-N	430.460	3.920	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(I)c1OC	408756483	VOWHMWCGYHHXPG-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CCCOc1ccc(C(=O)NNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1OC	40087394	DHIKGRMXUJHWTL-UHFFFAOYSA-N	429.860	3.867	50	40	IHGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c1	408706769	DLBDSCGPEAIMDI-AFUMVMLFSA-N	430.464	3.834	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408724774	BQSKMDINOFYAAP-NUGSKGIGSA-N	442.815	3.799	50	40	IHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1cc(-c2ccccc2)nc2ccccc12	409044709	OVSKWIMRFWUBKZ-CFRMEGHHSA-N	428.404	3.985	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OC)c2OCc2ccc([N+](=O)[O-])cc2)cc1	409076403	BDPNHJQWDFXXAZ-OYKKKHCWSA-N	435.436	3.955	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)n1	409247201	CLQATVDEIIVGNV-AFPJDJCSSA-N	444.900	3.947	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC	409313303	BKUJKROHPIYGTP-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(N)=O)cc1	934861	NALHBJXKKMZTCS-XUMLYMLNSA-N	442.338	3.669	50	40	IHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(C)cc1	2742795	WLVQHUNDUICXDA-AFUMVMLFSA-N	434.569	3.935	50	40	IHGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)COc1ccc(Cl)cc1Cl	16136926	ZNNUDEJQPNFHCM-SSDVNMTOSA-N	439.255	3.801	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc2cc([N+](=O)[O-])ccc2o1	408905544	ZASLKOVFEPKMLS-FBCYGCLPSA-N	432.186	3.596	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-]	409225994	SBXPIMPYMJGQRX-JJFYIABZSA-N	443.799	3.833	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1OCC	409324255	SSVLBHYHNICOJQ-OYKKKHCWSA-N	444.484	3.500	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(I)c1OCC	409368274	QYTXQAJBTTXDQM-NTEUORMPSA-N	440.281	3.618	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	3146137	AVOTUEIZEAVANQ-LGJNPRDNSA-N	446.459	3.780	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OC	14134798	XZELVUBFSHFBNK-RQZCQDPDSA-N	430.267	3.524	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	34966700	XYWUYASEAPUTSZ-UHFFFAOYSA-N	439.924	3.868	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(C)c1C	408906534	GTPQAUQYJXXGKL-LSHDLFTRSA-N	442.368	3.835	50	40	IHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2)cc1	409211892	OMXRIZYCRTVJPD-YSMPRRRNSA-N	429.476	3.863	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)OCC)c1C	9593323	VWFHYUKWQMIZKY-CPNJWEJPSA-N	437.496	3.781	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1	19948164	XQNJENKMNRPDMA-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1	408707115	GZCYWIYRUWEAHL-SSDVNMTOSA-N	435.709	3.598	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCC#N	408817970	XGPKBDCXMPLUFE-STZFKDTASA-N	431.492	3.948	50	40	IHGB	
Cc1cc(C)cc(OCC(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)c1	408957587	VEQNYWCXOJSBSM-NHFJDJAPSA-N	446.429	3.965	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1C	409009421	FOAARTBUKRRHIX-VULFUBBASA-N	435.455	3.924	50	40	IHGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21	409366077	SNOKBHZTTGLFGV-BRJLIKDPSA-N	426.904	3.728	50	40	IHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1	9284487	OZBXYRLHKIYYAT-OEAKJJBVSA-N	443.550	3.535	50	40	IHGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1ccc(Cl)cc1	408724327	BMNULFVWZFTNIK-UHFFFAOYSA-N	438.923	3.829	50	40	IHGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409327156	QKJPKISTPNBJQQ-CZUORRHYSA-N	448.386	3.922	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1	4398534	BLKBRMSGGKYYDU-CAPFRKAQSA-N	427.460	3.901	50	40	IHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(O)cc2)cc1OC	8685613	SYDUDAYIUHMYJI-CVKSISIWSA-N	444.491	3.500	50	40	IHGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)C1c2ccccc2Oc2ccccc21	12594825	FZSSLQUBHIJBLW-UHFFFAOYSA-N	430.489	3.793	50	40	IHGB	
Cc1ccc(OCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2c1[C@H](C)CC2=O	12815985	IOKLAAONMNEBNU-CQSZACIVSA-N	449.532	3.957	50	40	IHGB	
O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1	55074175	FUESCEAUXXRNSI-IDUWFGFVSA-N	443.051	3.589	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1	408944294	UWBBSZDAYZWESG-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
C=CCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C	409010645	CYFWVSNWXMMORZ-AUEUWSLNSA-N	437.540	3.620	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1cccc(Br)c1	2319013	GMFAIDMKAVWTHY-UFFVCSGVSA-N	448.321	3.626	50	40	IHGB	
Cn1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cn1	2754273	IFDHMJUBXMHIBG-GOSISDBHSA-N	442.292	3.626	50	40	IHGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccnc3)n2-c2ccccc2)cc1	33089351	QBTJUZQPEMQBJS-MYYYXRDXSA-N	428.521	3.880	50	40	IHGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1cccc(Br)c1	195786241	UIWMPKRRRSEJSM-UWVJOHFNSA-N	436.107	3.932	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1	408707349	JGVXPBLOBJXJHY-AEOXGOBCSA-N	447.333	3.566	50	40	IHGB	
N#CC1=C(O)NC(=O)[C@@H]([n+]2ccc(-c3ccncc3)cc2)[C@H]1c1ccccc1C(F)(F)F	8926463	IBRYOUYRFLHPIA-PMACEKPBSA-O	437.401	3.803	50	40	IHGB	
C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	9329933	JRAICQKMULNALI-PTNGSMBKSA-N	445.426	3.770	50	40	IHGB	
O=C(NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccccc1)C1c2ccccc2Oc2ccccc21	16001229	KBNGMLLFORJNMB-RBUKOAKNSA-N	443.528	3.750	50	40	IHGB	
N#CC(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)=C1Nc2ccccc2N1	36329916	JWEWKVBBNXFQTI-UHFFFAOYSA-N	427.430	3.669	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Cl)cc1Cl	59248147	HTIRAZHDEVTHQW-AWQFTUOYSA-N	447.116	3.949	50	40	IHGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59953097	LORPPOZTVFJAQG-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(F)F	3377695	IJIPEFSKKWIBHW-FOWTUZBSSA-N	429.423	3.679	50	40	IHGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)COc1ccc2ccccc2c1	12446966	VIGZHIUZDQVYAN-UHFFFAOYSA-N	438.281	3.762	50	40	IHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)c1C	25479800	OPSMEZMPNDMUKP-SFHVURJKSA-N	431.492	3.784	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1OC	58886611	VCOVEZQKMYPHNX-NEIHUHTASA-N	435.318	3.820	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1	59101484	NUYBFKVRVXUQBK-LGJNPRDNSA-N	439.418	3.641	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1O	98086591	KBRCIAHNUKUAFR-MZJWZYIUSA-N	439.556	3.876	50	40	IHGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(Cl)cc(Cl)c1	408707612	KYIAYAOPEVQDJZ-ODCIPOBUSA-N	444.116	3.696	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)NCc1cccnc1	408797353	RAUJVFYACYNYPU-YBFXNURJSA-N	446.894	3.976	50	40	IHGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	409039268	RADASFURUYJCNT-SDNWHVSQSA-N	445.431	3.597	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409255332	YTQVQXVXZFJRHE-UNOMPAQXSA-N	432.455	3.914	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc(Br)c1O	3080404	VSSUNCCZQJADIF-FOKLQQMPSA-N	428.286	3.879	50	40	IHGB	
N#CC(C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)=C1Nc2ccccc2N1	3441295	UUAQJRAGTREFIX-UHFFFAOYSA-N	430.376	3.853	50	40	IHGB	
Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1	8893272	NWYQZJDEOQLTLD-UHFFFAOYSA-N	445.475	3.733	50	40	IHGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)N1CCOCC1	15229874	BXRUOEPLEOYJIS-LDADJPATSA-N	427.298	3.794	50	40	IHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1Cl	39986464	FHLKEDLUWQDNMX-HAHDFKILSA-N	433.961	3.814	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)cc1C	58914104	SBRRBPBAHQYUQF-QRQIAZFYSA-N	430.552	3.910	50	40	IHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408545142	ZGMWMPBNAYRTIP-DHDCSXOGSA-N	425.238	3.705	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OCC)c1	957987	TWWUEVQWCKSSCO-GZTJUZNOSA-N	425.437	3.792	50	40	IHGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc([N+](=O)[O-])o1	9090404	VVBSDXNRTWNIEK-RVDMUPIBSA-N	449.423	3.798	50	40	IHGB	
O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NNC(=O)c1ccccc1	9963837	DICSCPYKJWVXCN-UHFFFAOYSA-N	449.561	3.608	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1OC	12275129	RFSWCKBQHVQKAG-UZUQRXQVSA-N	440.496	3.876	50	40	IHGB	
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=N/C3=C(C#N)[C@H]4CCC[C@H]4S3)o2)cc1	16321126	QTLVWIAGRNFEEE-YBRWOUCESA-N	441.534	3.841	50	40	IHGB	
O=C(CSc1nn(-c2ccccc2)c(=S)s1)NNC(=O)c1ccc(Cl)cc1	22513667	DMUBBBOGDLDYNR-UHFFFAOYSA-N	436.971	3.870	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	30803013	DXNRYAXDEYIZEJ-MXAYSNPKSA-N	448.435	3.680	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1	58625221	MZZCOXWNNKGIPP-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@H](CBr)[C@@H]2C4)cc1	100017843	QEFDBEIHKLONII-PCHXJBMOSA-N	430.320	3.746	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C	408586909	CZVXBVKZCOUYRJ-VULFUBBASA-N	447.491	3.692	50	40	IHGB	
O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1089172	HWWUHHOBJOGTNU-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
O=C(NNC(=S)NC1CCCCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F	2791824	MFEYQZUVHSXKIY-DLBZAZTESA-N	448.543	3.688	50	40	IHGB	
CCCOc1c(Cl)cc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1OC	12794286	JOYFZHWLIGQLMM-UHFFFAOYSA-N	427.284	3.874	50	40	IHGB	
O=C(N/N=C\c1cccc(I)c1)c1cc(Br)ccc1O	83326920	UTESZTRTGMSQRE-IUXPMGMMSA-N	445.054	3.523	50	40	IHGB	
CCOc1cc(C(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12	226364738	SNNUSAJUZRKQOS-UHFFFAOYSA-N	429.270	3.824	50	40	IHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)c1	408944401	VMLFHKLKKVHPCK-ZMOGYAJESA-N	433.468	3.708	50	40	IHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	408993356	DKSIUACIQBHVBG-ZMOGYAJESA-N	427.570	3.672	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)C[C@@H](NC(=O)OCC)c2ccccc2)cc(OCC)c1O	409003677	UCVLMXYGICDUJP-UVPCLOGWSA-N	439.512	3.847	50	40	IHGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)C1c2ccccc2Oc2ccccc21	9357863	KBNGMLLFORJNMB-MOPGFXCFSA-N	443.528	3.750	50	40	IHGB	
COc1ccc([C@@H](NC(=O)CCl)c2nccc3cc(OC)c(OC)cc23)cc1OC	12371237	WXJGHAIOJHYPPX-OAQYLSRUSA-N	430.888	3.714	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	59444684	GTRCXRVMRJJRFC-YZSQISJMSA-N	429.476	3.919	50	40	IHGB	
O=C(Cc1csc(N2CCOCC2)n1)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	95951050	MGVNTNYVRYNANR-YHECHFPNSA-N	448.548	3.567	50	40	IHGB	
Cc1ccc([C@@H]2[C@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	100667642	LARDTZQEAYSVKI-FDFHNCONSA-N	443.499	3.818	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408610534	NUGHNAOLDFLITH-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc(Br)c(Br)o1	408952193	LCJFHRUUAOGCFZ-FMQZQXMHSA-N	436.487	3.987	50	40	IHGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)COc1ccc(C)cc1Br	8815602	OSDBVARFQCCGDE-HZHRSRAPSA-N	432.318	3.966	50	40	IHGB	
O=C(CCCC(=O)N/N=C/c1ccc2ccccc2n1)N/N=C\c1ccc2ccccc2n1	18252433	TUKWHCVKDHPDOI-WVZLMVLXSA-N	438.491	3.554	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccccc1	408777119	VOGMNIDWTRSSST-HAVVHWLPSA-N	431.558	3.737	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408781915	CZBNXRIUHDHMIT-ZSOIEALJSA-N	426.385	3.735	50	40	IHGB	
Cc1cc(/C=N\NC(=O)c2cccc(I)c2)ccc1N1CCCC1	408855548	NWVROYOZIKOTLF-BKUYFWCQSA-N	433.293	3.964	50	40	IHGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408966560	MDSSQKGHTQEDRN-FOKLQQMPSA-N	432.249	3.797	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(CC(=O)N2CCCC2)c2ccccc12	818721	WYQNKRSRRCOAJR-HSZRJFAPSA-N	444.535	3.715	50	40	IHGB	
C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100394163	UNNNFTAAKHFUGN-NVYZYBGVSA-N	427.136	3.526	50	40	IHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)c1	408706500	AJLSPTJHLQTEDM-MFKUBSTISA-N	432.480	3.845	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	408860777	DXWYWPMQCJPEME-PCLIKHOPSA-N	443.475	3.701	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccccc1I	408586494	CGNGLSABGQMWLD-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Br)cc1	3187067	XSAYLPYUYLQEOR-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cccc3ccccc23)cc1OC	13562721	RTDUGSNMNNXVRS-WPWMEQJKSA-N	433.508	3.712	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1051703	HUEJESUXXSEPKO-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)c(C(C)C)cc1Cl	3192973	KQVXAYFGNOVELI-XTCLZLMSSA-N	442.947	3.537	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1OCC	12910260	JCJMZKOISUJASZ-UHFFFAOYSA-N	434.492	3.991	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(I)c1	408782101	HJLYZJMAISXXBM-YBFXNURJSA-N	428.657	3.864	50	40	IHGB	
O=C(CCl)O[C@@H](c1nc2ccccc2[nH]1)[C@H](OC(=O)CCl)c1nc2ccccc2[nH]1	408973934	CTOPLPJBEVLQGC-HDICACEKSA-N	447.278	3.786	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(I)c1	711281	DCCCCGYJBLOQHV-HNNXBMFYSA-N	442.212	3.616	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4c(C)cc(C)cc4n23)c1	877233	LGTFZZMNXUHKRO-UHFFFAOYSA-N	433.537	3.669	50	40	IHGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1	9721017	RTPIAFXHUBMCIH-HZVRNWRTSA-N	442.519	3.682	50	40	IHGB	
C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	13134849	HZBDYOOZCDUUGR-INIZCTEOSA-N	436.895	3.728	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21	13567600	TWADRPSOPVJCMO-MHZLTWQESA-N	436.515	3.987	50	40	IHGB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C[C@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1	16753071	QFSILWILFSVOCZ-COVVZGLNSA-N	430.460	3.920	50	40	IHGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccn2C)cc1	17136198	NOYQNAYACCDZLR-USSUYSNBSA-N	449.942	3.666	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc(C(=O)O)c1	19645792	MMGCBNJIZMFEKX-UVHMKAGCSA-N	447.422	3.747	50	40	IHGB	
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39767457	JXTGSQCYSSFIMR-JTQLQIEISA-N	431.861	3.931	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	408775388	GHPFQFHELZZREX-JJIBRWJFSA-N	445.585	3.608	50	40	IHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408869828	UGNJDDUZNWOUCZ-ZVHZXABRSA-N	445.972	3.974	50	40	IHGB	
O=C(N/N=C/c1ccc(I)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408967357	VEDSXNUXRZTVTJ-GIJQJNRQSA-N	435.177	3.710	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1Br	409145972	QYQYCUXOCHTOCD-DJKKODMXSA-N	441.123	3.747	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21	2413616	CIKNDRCCPRAXFK-HHHXNRCGSA-N	445.482	3.888	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	15945116	JAFLAIHMUWCIBA-NGWPFTMJSA-N	443.297	3.785	50	40	IHGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cccc1[N+](=O)[O-]	28215589	AFRLVUSDCHIYKL-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1OC	33642119	KLDYMQMULLXRJO-SRZZPIQSSA-N	437.290	3.638	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	7738004	QFMRSBJXSVHVMG-LISPERENSA-N	427.501	3.529	50	40	IHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/[C@H]3CC=CCC3)cc2)cc1	9097215	KRDKKMMDPGRDSS-CSUZIONRSA-N	427.526	3.958	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(N/N=C/c2cccc([N+](=O)[O-])c2)c1	12650224	IDEYCSFIUJICLW-MSKUYSOUSA-N	432.396	3.713	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195174	GTPDIMAFGQSCAV-YDZHTSKRSA-N	429.314	3.779	50	40	IHGB	
COc1cc(C(=O)NN)cc(I)c1OCc1cccc2ccccc12	226325468	WTLFQHOTGUDPLG-UHFFFAOYSA-N	448.260	3.636	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc(Br)c1O	408762555	PFIYXOLWIYJRMK-LSFURLLWSA-N	431.208	3.875	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O	409153852	IWBOFWRQIQFPPQ-NUGSKGIGSA-N	429.782	3.552	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCc1ccccc1	409240468	PXJZKFXKFVPGBE-NVNXTCNLSA-N	444.285	3.529	50	40	IHGB	
O=C(CSc1nnc(SCc2ccccc2)s1)NNC(=S)Nc1ccccc1	1792497	GABPKGOYNYEOQW-UHFFFAOYSA-N	447.636	3.940	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cn3cccn3)cc2)c(C)n1C[C@@H]1CCCO1	8776771	HHFKAWHPAPFCKA-BZNKKWMXSA-N	443.551	3.752	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1	8780818	XEHLJVIGFWCMEJ-OEAKJJBVSA-N	430.346	3.820	50	40	IHGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)c1	408706576	BVGVNTBEPXXZTR-AFUMVMLFSA-N	446.463	3.534	50	40	IHGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1	408768808	JUEVNJNKYSUJPR-VKAVYKQESA-N	443.288	3.547	50	40	IHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1	409222964	FSNPQBWMGFEXJF-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NNC(=O)c1ccco1	12636215	NNSCPFWVHKAREE-UHFFFAOYSA-N	428.539	3.594	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2Br)c(OC)c1	14923504	BDXQQXRBIPBMFJ-WSDLNYQXSA-N	434.290	3.601	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1	59147298	UXYCPKKKFBVRMR-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1OC	408608933	XSIIBCIYQJWJAT-FQEVSTJZSA-N	432.505	3.780	50	40	IHGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C	408708072	NUZZMJPAPVDTNV-MFKUBSTISA-N	432.480	3.845	50	40	IHGB	
NC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409186438	BZVNCKQWAKNIFL-UFWORHAWSA-N	427.096	3.793	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cc1	409221897	BLINGGNLDWTXML-OYKKKHCWSA-N	446.419	3.536	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1Cl	409323845	PRTJUWQBUHAKDR-UKRRQHHQSA-N	433.961	3.821	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC1CCCCCC1	890547	UGUUZQBBYLZCCX-SLTDHEAWSA-N	448.567	3.682	50	40	IHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3Cl)c2)cc1	6250934	TZQHKVZVLIUXNF-OEAKJJBVSA-N	443.912	3.913	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	33621144	OWRMTZUDONSGQL-SECBINFHSA-N	429.285	3.687	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccccc1	59101903	GVOKXDFVOOSHKN-CVKSISIWSA-N	431.492	3.980	50	40	IHGB	
O=C(N/N=C/c1ccc(I)cc1)c1cc(Br)ccc1O	408727895	XYYNNBZOAKQLQR-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408796489	OIYQVLHXNKYVBO-WUXMJOGZSA-N	432.230	3.920	50	40	IHGB	
COc1cccc2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])cc(Br)c3O)oc12	409104795	FLRHZGARNVCZFJ-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccccn1	409254364	WYNJOLIMFSXRCY-FSJBWODESA-N	427.302	3.781	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc1OC	1471946	QSGJUIHBTAZLQD-QHCPKHFHSA-N	443.503	3.635	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9009241	AXOHUIWHFJHKKL-HXUWFJFHSA-N	448.479	3.719	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(Cl)cc2Cl)C(C)C)cc1	408752251	HBGWBGNWHKRHJO-QPHXDFOYSA-N	442.368	3.755	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(O)c([N+](=O)[O-])c2)cc1	408846304	JIOZWGPEYDQWJQ-SDQBBNPISA-N	449.204	3.759	50	40	IHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1C	408966793	OESQOHFFPGQPBW-MOSHPQCFSA-N	448.548	3.904	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)c(Br)c1O	1106570	DDKRERZBQVLRGO-FBCYGCLPSA-N	446.070	3.829	50	40	IHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OC	1452854	JXMYBTIYKMOZKS-QHCPKHFHSA-N	443.503	3.831	50	40	IHGB	
Cc1cccc(C(O)(C(=O)NN(C(=O)CCl)C2CCCCC2)c2cccc(C)c2)c1	1813854	XTNOSKHJYRRWFZ-UHFFFAOYSA-N	428.960	3.971	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1	2651412	RCRPNZPHBNVHHH-OAQYLSRUSA-N	435.911	3.971	50	40	IHGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	9262000	CKOSQJJHAOBYPW-DHRITJCHSA-N	425.872	3.991	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1	16214670	ZHUWYZFOBIGCFQ-WQRHYEAKSA-N	433.420	3.999	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	33459986	AHWWEKAIKBRROG-BBMHEYIBSA-N	431.920	3.900	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O	408744973	OGMLFVBAKFAYHB-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1	408772149	DJKWRDLERSLUSD-ZXVVBBHZSA-N	428.536	3.781	50	40	IHGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)c1C	409227868	SFDRNQAGUPHUCF-FOKLQQMPSA-N	438.509	3.691	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC(=O)c1ccc(C)cc1	658023	XSKVKQDNZHYPIW-ZVHZXABRSA-N	433.420	3.895	50	40	IHGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cccc2ccccc12	1427489	RFKXAYREJHPCJL-CIAFOILYSA-N	430.245	3.974	50	40	IHGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Cl)cc1	100539733	UINOFCFQLOYKAQ-LVTVNPDKSA-N	433.527	3.622	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)c1	408586934	DCLQKYROCDRFOF-MFKUBSTISA-N	448.479	3.872	50	40	IHGB	
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc(Cl)c1OC	408605766	NCYSCYWSWZNGRX-INIZCTEOSA-N	448.932	3.694	50	40	IHGB	
Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccco2)c1)CCCC3	408732049	OOYYGMUZMAVGSE-CFRMEGHHSA-N	432.505	3.991	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408993315	WDIBQAASZDPZAI-JHDYRUHQSA-N	447.539	3.695	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409019520	JODOKELONVEEBJ-WGARJPEWSA-N	435.455	3.924	50	40	IHGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCC(=O)O	409065736	MJYNQEFEYZDIFQ-LDADJPATSA-N	436.464	3.831	50	40	IHGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)C(=O)Nc1cccc(Cl)c1	409224193	JXTAOBMMTRJMPN-WUXMJOGZSA-N	434.677	3.512	50	40	IHGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3cccc4ccccc34)c3ccccc31)C(C#N)=C(N)O2	9159848	XUFJYTRUFJBFMI-AREMUKBSSA-N	433.471	3.791	50	40	IHGB	
O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl	9456744	XKBLNPHCNPCBRM-NBVRZTHBSA-N	431.989	3.637	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)Cc1nc(-c2ccccc2)cs1	10600211	JHNIAWMTQNCBEU-UHFFFAOYSA-N	430.327	3.505	50	40	IHGB	
Cc1cccc(-n2ncc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)c2C)c1	12893965	VPDJMYYEABZGNW-UHFFFAOYSA-N	440.503	3.996	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCOc1ccccc1	13424132	UAJIPGNWCAPEHX-GFCAVMEOSA-N	436.508	3.745	50	40	IHGB	
NC(=O)N/N=C(/CCCC/C(=N\NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	13785462	LBVIVYDIEVOLEG-WTHRLWDASA-N	449.342	3.999	50	40	IHGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248140	SMBJCSMITGJEET-UHFFFAOYSA-N	438.734	3.808	50	40	IHGB	
C/C(=N\NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccncc1	22853641	KANRNGLSWAKSRW-QUPMIFSKSA-N	441.579	3.719	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC	108265274	HDMOTKVMWYOACD-WSDLNYQXSA-N	446.301	3.745	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C#N	408743687	XBHVFPMHCZTADO-AFUMVMLFSA-N	430.420	3.818	50	40	IHGB	
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409132757	RCMDIGKHWKFUIW-IBGZPJMESA-N	446.345	3.976	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1	409222252	CCAJZDQMMUXWKA-JJFYIABZSA-N	443.799	3.833	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(I)cc2)cc1	409253432	GDAXZSCMRXYFFB-FYJGNVAPSA-N	437.281	3.642	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	2251950	LEQWXOPMINGMSN-SFHVURJKSA-N	438.281	3.779	50	40	IHGB	
C[C@@H](/C=N/NC(=O)[C@]1(C)CC1(Br)Br)Cc1ccc2c(c1)OCO2	19644189	DKMMHMKJHIOTIM-OGDADSTHSA-N	446.139	3.592	50	40	IHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)c1ccccc1	28214378	FTYQJADWWKRNFY-ZGDTYUEESA-N	445.519	3.781	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1Cl	102646032	FUIDUSONRYWKTG-JOJVEKOVSA-N	447.554	3.931	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1cccc(Cl)c1	408807927	PGBKXEDJVVVKDO-KDHISYJLSA-N	439.899	3.560	50	40	IHGB	
CCOC(=O)/C(=C/NNC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)c1ccccc1	408895803	VUEYHZPGWSRNDR-HAVVHWLPSA-N	444.487	3.830	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1NC(=O)c1ccccc1	409211702	MTWQAAIHTYKXER-ZMOGYAJESA-N	445.435	3.907	50	40	IHGB	
Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=O)c3ccccc3N)c3ccccc32)cc1	716911	RCDFVETXBNRQRN-AFUMVMLFSA-N	432.505	3.533	50	40	IHGB	
CCOC(=O)c1ccccc1OCc1cc(C=NNC(=O)c2cccnc2)ccc1OC	15985161	MBWPOXFIUDPGHB-UHFFFAOYSA-N	433.464	3.610	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	33446094	NMGNVYPZVJZOPC-WGARJPEWSA-N	435.455	3.924	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c(OC)c1	58913614	VWKKPPOTVDSFGW-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C[C@H](O)C[C@H]1C=C(/C=N/NC(=O)c2ccncc2)c2ccccc21	257173220	HAGTVSUBLANLCI-GRFPLOQTSA-N	432.568	3.992	50	40	IHGB	
N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21	2441361	JPFUFNMZONZRGJ-VXPUYCOJSA-N	430.851	3.674	50	40	IHGB	
CN(NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccccc1	12927861	YUQMGUXRHKPWAH-UHFFFAOYSA-N	442.368	3.562	50	40	IHGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1OC	32565555	XDFPNZYCEFLMTK-JJFYIABZSA-N	429.274	3.620	50	40	IHGB	
O=C(NNC(=O)c1c(F)cccc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1	32904265	XPBXSSKZDSMWBA-UHFFFAOYSA-N	435.846	3.802	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1	408876825	QZTQYYLPCAEMHR-LFIBNONCSA-N	432.432	3.885	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC	409007150	TYPQSXCNLDESLB-YZSQISJMSA-N	435.524	3.571	50	40	IHGB	
CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2Cl)c2ccccc21	409157526	VYZZXVLQIQMDNX-YEEYNWEUSA-N	440.931	3.909	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1OC(=O)c1ccccc1	919117	JIGXICXRMIDNGQ-OJLHXUGZSA-N	446.459	3.595	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)CO2	1309395	DABNGDSZERQCOS-FDCKDHBTSA-N	448.479	3.973	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1cc(C)cc(C)c1	12603494	MNSPKLKGZZASRH-UHFFFAOYSA-N	444.944	3.704	50	40	IHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1	12735368	ZOYCGCQDCYQUMO-UHFFFAOYSA-N	432.464	3.501	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1	19948237	YFJBPMPYYWDORB-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2C)cc1	20059959	RHTXNPZVZFFQDL-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	28214137	YGALGWULHVYQPS-YSGZUTGPSA-N	437.521	3.606	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408709009	WILCZYVYQPRKQA-JHAVZTMOSA-N	435.297	3.697	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)/C=C/c2ccccc2)cc1	409034270	QDOAJJKMNBXIBE-XWWDOVJKSA-N	442.471	3.788	50	40	IHGB	
Cc1cc(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc2ccccc12	898584	XFJQXNDATKPZES-UHFFFAOYSA-N	430.327	3.859	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c2ccccc21	6195284	OAHMBZBLXAGQJB-CPNJWEJPSA-N	430.508	3.566	50	40	IHGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2Cl)c2cc(Br)ccc21	8722568	CQGPRJXQICVVAE-OQKWZONESA-N	430.689	3.525	50	40	IHGB	
C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12401738	NHSBQAYSLTUJIU-OEAKJJBVSA-N	441.444	3.690	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1C	16043466	IIEMIFDVPYWMKG-LICLKQGHSA-N	440.456	3.521	50	40	IHGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)[C@@H](OC)c2ccccc2)c(OC)cc1Cl	100522728	DVVYWWMOKICYEZ-AFEQLLIESA-N	433.892	3.566	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1OC	408569348	NIRIHFDYIIVWFF-WSDLNYQXSA-N	448.566	3.720	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408767589	YRYQQSJLVQTLBG-YRXLECQKSA-N	433.599	3.560	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(I)o2)cc1	408789279	IHOUOQCUSNEALO-FMIVXFBMSA-N	436.205	3.607	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC)c(OCC)c1)c1ccccc1	408976326	ALWVSXICZVWQAO-JWGRYVKWSA-N	427.501	3.812	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1	409268201	RMLYUWRPPDRARE-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
NC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	1093294	VGDJIOLXJQEHCB-LGJNPRDNSA-N	431.517	3.504	50	40	IHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)/C=C/c1ccc(OC)cc1	2269794	PQZUYTWDTSRLPW-OHRRRPBESA-N	431.492	3.527	50	40	IHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1C	8811067	JXUUGIPDRIGKLF-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	26123348	FETMIAJNYXIFCV-RGVLZGJSSA-N	436.103	3.988	50	40	IHGB	
O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Br)c1	30826579	NCKQOIMRDJTTTD-IUXPMGMMSA-N	427.052	3.884	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	32624728	NSDHCBUVRBJTFP-KHSLMGARSA-N	429.451	3.800	50	40	IHGB	
CCCCCCCCCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr	100119397	PTXBWGLKLYEBIP-QGZVFWFLSA-N	447.414	3.563	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1	409235852	CORUXJHFVGAERR-WGARJPEWSA-N	436.439	3.804	50	40	IHGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OCC(=O)Nc1ccc(C)cc1	409240415	KQOYZELRRAJGBE-DICXZTSXSA-N	449.482	3.853	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OC	409334849	NIORNBQKCCXKLW-AFPJDJCSSA-N	441.267	3.628	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(O)c(OC)c2)nnc1-c1ccc(C)cc1	9065556	DCMWNSAENUTLJQ-HAHDFKILSA-N	439.541	3.620	50	40	IHGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl	9318080	RZJCDXRMYVGYDO-SECBINFHSA-N	435.666	3.780	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	59101448	CUPTXIGGLAWRNF-CVKSISIWSA-N	431.492	3.980	50	40	IHGB	
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)cc2)cc1	3179124	BKGXXLQPNMTGCO-VIXPEKOKSA-N	429.476	3.625	50	40	IHGB	biogenic
C#CCn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118479	KORHRBOBPYLHNE-CIAFOILYSA-N	427.245	3.643	50	40	IHGB	
Cc1ccc(OCC(=O)NNc2ncc(Cl)c(C(=O)Nc3ccccc3C)n2)cc1	11915393	VEXVNDYPDSYVOT-UHFFFAOYSA-N	425.876	3.521	50	40	IHGB	
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1	15133620	BASFVNFSGGEDFN-TURZUDJPSA-N	428.536	3.541	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccccc2OC)c(OC)c1	27563324	RPDADZSWEDHCNO-NBVRZTHBSA-N	439.464	3.938	50	40	IHGB	
CCOC(=O)C(=O)CC(=O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1	102946984	QBIOHOVAXBAEJE-QWHCGFSZSA-N	440.515	3.631	50	40	IHGB	
Cc1ccccc1OCCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21	103041191	MBDPXQDFWNLSOR-AZPGRJICSA-N	443.503	3.628	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	408769147	OVIMKLKVZOBUHB-GIEPYWIESA-N	433.961	3.874	50	40	IHGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409019503	JMGSCZUXDBJEAE-KEBDBYFISA-N	436.262	3.805	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409227347	ZMOGBKPETIDRFP-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	409360366	DZXCMITWDSNVBP-MYYYXRDXSA-N	447.447	3.638	50	40	IHGB	
O=C(NNC(=O)c1ccccc1I)c1ccc(Cl)cc1Cl	671590	ZRTSGDXXLYJGRZ-UHFFFAOYSA-N	435.048	3.673	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1ccc([N+](=O)[O-])cc1	1195379	LVXTZGFZJVJLQI-AFUMVMLFSA-N	434.452	3.919	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2[N+](=O)[O-])cc1	1444697	RVGDGOMVFQFGEW-ZVHZXABRSA-N	449.419	3.595	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccn(Cc2ccc(Cl)cc2)n1	2734165	QYWMQTACPYOZPI-UFFVCSGVSA-N	433.693	3.817	50	40	IHGB	
Cn1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)CCC3)cn1	2754272	IFDHMJUBXMHIBG-SFHVURJKSA-N	442.292	3.626	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1c(F)c(F)c(F)c(F)c1F	8856050	SBIOGPBPLHCMPV-SECBINFHSA-N	449.295	3.899	50	40	IHGB	
CCOc1ccc(N([C@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	12285128	XMKIUXIOFCKNBW-TZHYSIJRSA-N	437.606	3.948	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21	12402230	JTZGKCUQAHDORV-RUZDIDTESA-N	428.467	3.873	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1	33584659	DKTRLEWHXDDYHE-MYYYXRDXSA-N	448.479	3.872	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OCc1ccc(F)cc1	408606930	BDCVZYILVAIXDN-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(Cl)cc1	408908971	ZOHJLTAHDURLJN-SRZZPIQSSA-N	448.759	3.953	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	13838628	OZRDIQWFJYZNKU-ZVHZXABRSA-N	449.419	3.682	50	40	IHGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(C)cc1Br	16284654	KANNXHPRQIQOTN-OEAKJJBVSA-N	448.317	3.666	50	40	IHGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	19955428	ZIXOPTMMDLIXAG-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
C=CCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	98046357	MKRSUBRVCDTKCJ-OXHMUOHRSA-N	444.005	3.974	50	40	IHGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(SC#N)c1O	409043969	AHNGLLSIEIRRBJ-ACAGNQJTSA-N	443.868	3.602	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c1C	2085343	YHLBHEARNCJFIL-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1C	9376657	JXWGIXUAFGMXDQ-UHFFFAOYSA-N	426.300	3.761	50	40	IHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(O)cc2)cc1	9908333	ULSYLNWUPPIYDQ-NMFBSFOHSA-N	446.482	3.519	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1cccc(Br)c1	33741732	KDPYPTMWOOXPLI-BKUYFWCQSA-N	427.258	3.841	50	40	IHGB	
C=CCOc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OCC=C)c(OC)c2)cc1OC	34870708	XOIMSQOJGMPKPM-QTCLYGBFSA-N	438.484	3.501	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C	408906328	GHMPZDUFAWXRHP-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1	409186511	DCEWJKJYPIVTPU-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	409196743	WZIHVRCFBYTHOL-JENJNIGESA-N	445.519	3.931	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1	936440	GFJVKMBPQNNRGD-BUJDNCMTSA-N	437.448	3.801	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC(=O)/C=C\c3ccco3)c2)cc1OC	8721546	BUZAGHIADAFGTF-FQWYDKNTSA-N	434.448	3.608	50	40	IHGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1	10315726	HSKBPLQNFKZHGH-WGOQTCKBSA-N	433.508	3.972	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c2ccccc21	13567591	VIMXHZAANANLPE-HHHXNRCGSA-N	436.515	3.987	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cc(F)cc41)[C@H](C)CC31CCCC1)C(C#N)=C(N)O2	14162344	AQYRMVCWAXNQDI-YDBLSZJJSA-N	447.466	3.626	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19926251	QLTSXAGFKWWHNK-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3C)c3ccccc32)cc1	40137512	GVJJZFWNBCLRET-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408820759	ZTCXKZMZCYZKJY-CCVNUDIWSA-N	428.467	3.709	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1O	408978771	JYPIHKMGEUNSDP-WATSXHCISA-N	431.492	3.802	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1O	409092671	WAUAIPVKULCLJD-WSDLNYQXSA-N	436.380	3.552	50	40	IHGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	409239055	FZBFRJJCBGCTBN-IMRQLAEWSA-N	445.519	3.728	50	40	IHGB	
C[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1Cl	100837327	VHPIEQQDLDNKQQ-YXKOMOBRSA-N	446.095	3.601	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC	409018639	NQVMZXQZCUETAY-WGARJPEWSA-N	437.883	3.828	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OC(=O)c1ccccc1F	8878449	OKZQEOQSMHALEN-UVHMKAGCSA-N	439.418	3.755	50	40	IHGB	
O=C(CCC(=O)c1ccc(Cl)s1)NNC(=O)CSc1nc2ccccc2s1	9634451	UAENVWYRGMKIOV-UHFFFAOYSA-N	439.971	3.914	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1O	12275209	PYOYPDBXGIUQPA-KSFYIVLOSA-N	426.469	3.573	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(OC)c2)cc1	408798884	XEAAUKLCEAAEGZ-OQLLNIDSSA-N	425.828	3.583	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	408860268	XMXDZFXKFFQLKN-RXULLKCLSA-N	433.961	3.767	50	40	IHGB	
O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2740672	WEWAZFJJFPRMAB-FOKLQQMPSA-N	431.279	3.773	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)c([N+](=O)[O-])c1	9355278	PXUNZCSJABPXPU-WSDLNYQXSA-N	439.449	3.713	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(C(=O)O)cc1	4643966	MYPLZTKRPRSELF-UVHMKAGCSA-N	447.422	3.747	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	58883102	ICMGVZGHJSJUDX-FELJGRNJSA-N	431.492	3.715	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3sccc3C)cc2)cc1	409136033	XPAYISVONGAQJS-HYARGMPZSA-N	427.551	3.954	50	40	IHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(C)=C1C(=O)Nc1ccccc1	1102353	RKQBSYQNXRHMIT-QFIPXVFZSA-N	448.548	3.638	50	40	IHGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1OC	9043668	DCWQDKZCNJSKEB-OYHNWAKOSA-N	447.447	3.820	50	40	IHGB	
C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccc(O)c1	9043703	KDVHBQSHAODZPN-QQXSKIMKSA-N	444.516	3.724	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1	14247133	UMCQJPZSXMMCNI-UHFFFAOYSA-N	448.401	3.548	50	40	IHGB	
Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1Cl	408706515	AMORQPCBTXHVHK-LSHDLFTRSA-N	449.736	3.883	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408907813	SNLHTXGCKUEQTM-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1OC	409013188	MCKZCDTUAWQGFH-SSDVNMTOSA-N	443.301	3.743	50	40	IHGB	
CCn1c(SCC(=O)N/N=C\c2cc(OC)ccc2OC)nnc1-c1ccc(C)cc1	12463337	GWVSAODSKAEHLC-QRVIBDJDSA-N	439.541	3.533	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21	13567626	IHUOCKNABGMELX-SANMLTNESA-N	440.478	3.817	50	40	IHGB	
COc1ccc(/C=C/C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)c(OC)c1	58174620	SVOYFTHRKAINJH-CSKARUKUSA-N	425.432	3.754	50	40	IHGB	
O=C(NNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCCO2	84452079	PHVBUYXSFDUSGD-UHFFFAOYSA-N	437.066	3.541	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	102066180	JLNQICVXYLBYEA-XGUBFFRZSA-N	444.167	3.595	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1ccccc1	408972794	FUHODYVQGOSCQM-LUOAPIJWSA-N	447.520	3.933	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	409225052	ODXRCHYYZTVQTJ-KPKJPENVSA-N	434.677	3.512	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409252715	UYVZOVZQEJFHNE-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)c1	2362748	MYRASURTBHLCTH-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	
Cc1ccc2occ(/C=N/NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)c(=O)c2c1	9479760	YYDYLVSDJWSUNS-MOYYISEASA-N	449.507	3.688	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)c1	12628720	JZXXCYZIGSEJTI-WYMPLXKRSA-N	449.891	3.509	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1F	28216844	ITUWNZZMJKKCSJ-JVWAILMASA-N	434.515	3.829	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1C	408906893	JZEDIWWPZJJYEL-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1	408912195	PIDXNKPGHBCJPI-RASHHNMQSA-N	441.528	3.538	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1C	408977098	CYYJOSVNEQDLBV-LEEXQRRLSA-N	441.528	3.564	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1O[C@@H](C)C(=O)O	409230829	GCKHFJUVSDDHQR-YSGZUTGPSA-N	435.480	3.719	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(C(N)=O)cc1	409233155	RCUHMENCAJNQLA-KQWNVCNZSA-N	426.520	3.849	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409374086	XGIHVMQVYMUNCQ-DEDYPNTBSA-N	433.508	3.859	50	40	IHGB	
Cc1oc2ccc(OCC(=O)NNC(=O)c3ccccc3Cl)cc2c1C(=O)OC(C)C	1447884	MXZZUWQWRKMNIO-UHFFFAOYSA-N	444.871	3.800	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	6446595	SREXAAQNQAVRHK-CTNGQTDRSA-N	441.516	3.810	50	40	IHGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1	20214853	JHHDRQCJJYSRLH-ZDSQJECRSA-N	445.585	3.710	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(OC)c2)cc1	23215396	BSECCMKCQXWPAU-RIYZIHGNSA-N	445.269	3.886	50	40	IHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C	408591225	SDLMBAHTMVXONY-LPYMAVHISA-N	431.583	3.917	50	40	IHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408751863	CZZHJIYOCIAZTR-JVWAILMASA-N	425.444	3.983	50	40	IHGB	
COc1ccc(OCCn2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1	6177714	GXKXHXQYOLYQKY-QHCPKHFHSA-N	441.491	3.979	50	40	IHGB	
C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	9970884	YJOBVACBSWDLKJ-UNSMVDFFSA-N	428.945	3.948	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	16291541	SHQJVDYQAFWQFZ-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	28215177	IJEVGLNKKOYYAW-CVKSISIWSA-N	447.491	3.550	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	59515880	OMJDJUPJGPXANV-NLRVBDNBSA-N	449.576	3.687	50	40	IHGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC	659684	CMDNLASRJYBJEM-DHRITJCHSA-N	432.432	3.910	50	40	IHGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)ccc1O	12275733	CFGXOIAOQLKDKZ-BTYIYWSLSA-N	428.897	3.697	50	40	IHGB	
CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(OCC)c(OC)c2)cc1OC	12851778	LSBYIKSBCCBJSH-UHFFFAOYSA-N	436.892	3.620	50	40	IHGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1cccc(Br)c1	16694211	VAFRMENKKLCQSU-YBEGLDIGSA-N	433.693	3.644	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	33649681	GGZPYHOCTGSIQF-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	408742575	AYHDLRJQDZDUFD-ZSOIEALJSA-N	430.844	3.756	50	40	IHGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC	408768208	CVKMTSVSWBMMLL-ZSOIEALJSA-N	440.281	3.686	50	40	IHGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C[C@@H](C)O1	13659454	HAFBWUMKFDYSSA-XTAZXNQFSA-N	443.532	3.982	50	40	IHGB	
C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	14923578	AUGCLMSBWWASKL-ZVHZXABRSA-N	449.423	3.720	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408745204	QDEJFYDZAVEABT-PTNGSMBKSA-N	429.270	3.937	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c2ccccc21	6443177	LTSAGCZFOCCLTM-CPNJWEJPSA-N	430.508	3.566	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/C2=Cc3cc(Br)ccc3OC2)n1	70036776	MPCLPQMDGRJTLW-DNTJNYDQSA-N	433.331	3.526	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)c1	408598422	ADVBOUFOSWKZDW-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)ccc21	9634679	FNZPGYGQPSNUIL-AFUMVMLFSA-N	446.463	3.949	50	40	IHGB	
O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-n2cccn2)nc1	32906317	VWTADINMHKOXSL-UHFFFAOYSA-N	440.488	3.619	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409318259	UNPGREFEDSQQRS-KRWDZBQOSA-N	437.521	3.804	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@@H]1C1CCCCC1	859179	LPVVCSIZVKASDS-IBGZPJMESA-N	425.554	3.714	50	40	IHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	1089250	OXLPCOWCGSPFMH-MFKUBSTISA-N	432.480	3.816	50	40	IHGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1	2132057	CFWKKGXKZYTWIT-UHFFFAOYSA-N	443.297	3.516	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2255400	OUHGUPYGRHXXGW-OAQYLSRUSA-N	447.878	3.805	50	40	IHGB	
N#CC(C(=O)COC(=O)/C=C/c1cc(Br)ccc1F)=C1Nc2ccccc2N1	8880029	RXUSVGYOBMOTQJ-VMPITWQZSA-N	442.244	3.986	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	9261881	PGVUPRKRNCLFKB-WYMPLXKRSA-N	444.260	3.634	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1O	408795584	CKNUHFBAYJVRDG-MXUOTFPVSA-N	440.281	3.607	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c(C)c1	408966252	KWTBKNAPEPXYFG-UVHMKAGCSA-N	432.455	3.964	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1	408971281	FIWPOLHVJWXNGR-CVLFLDGLSA-N	431.492	3.602	50	40	IHGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409021265	ZRJCTKSDEAMCDK-SSDVNMTOSA-N	448.317	3.644	50	40	IHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)cc2c1	409186498	CWGNAAFJJUNVMW-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	12857173	QFRCRPMZZVQWDI-KRWDZBQOSA-N	437.279	3.738	50	40	IHGB	
N#C/C(=C\c1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1)C(=O)Nc1nccs1	13523447	OLVLTVJSIOAVDL-KAVGSWPWSA-N	432.490	3.691	50	40	IHGB	
C/C(NNC(=O)CC(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	17098513	CWQMOEGLIJCGAK-HKWRFOASSA-N	433.537	3.988	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	33349217	UJGLINDXUJHLBI-VULFUBBASA-N	447.491	3.799	50	40	IHGB	
C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917299	DXUPIKIRUZQPKY-MPTPDAKUSA-N	430.552	3.686	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cc(Br)ccc1O	59433248	CBWUALLQSKFLMM-UFFVCSGVSA-N	429.226	3.877	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408816730	KBUKWFFFBBNSKG-ZSOIEALJSA-N	432.835	3.975	50	40	IHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1	409010867	FUBBPNGYCVYHPG-WGOQTCKBSA-N	430.508	3.842	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2250256	BFRSCYHNUAQBBO-FQEVSTJZSA-N	426.948	3.760	50	40	IHGB	
C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1	8426924	BEWHQIXACFSISR-OYKKKHCWSA-N	447.407	3.909	50	40	IHGB	
O=C(O)CSC/C(=N/NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1	12346659	QHORFSZXVSPUJN-QLYXXIJNSA-N	447.516	3.891	50	40	IHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(COc2ccccc2)o1	14245829	CWDNLBQDGMENJI-UHFFFAOYSA-N	441.292	3.789	50	40	IHGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCOCC2)cc1	408570607	XDFBNJXGSWKOPZ-HZHRSRAPSA-N	443.594	3.531	50	40	IHGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	1790264	XFJRDBBTDVPIMK-CIJMEZBMSA-N	441.440	3.723	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C	8780667	PLTNFKMTRODPJK-WSDLNYQXSA-N	432.318	3.944	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1	16162387	KLEKAJOASUFEQX-PCLIKHOPSA-N	439.512	3.734	50	40	IHGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287508	GFYHMFPCBKSNLN-INIZCTEOSA-N	430.427	3.778	50	40	IHGB	
CCc1sc(C(=O)NNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1C	40144577	UHYURDCOSXLLLW-UHFFFAOYSA-N	427.551	3.685	50	40	IHGB	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(/C#N)C(=O)Nc1ccc(OCC)cc1	98008775	VIOMSFHCADRXOZ-VKAVYKQESA-N	430.464	3.993	50	40	IHGB	
Cc1ccc(F)cc1NC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408709341	ZWSVYQIMQABMHB-LGJNPRDNSA-N	448.454	3.973	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1)S(=O)(=O)c1ccccc1	408786070	LABGVKNJSJOOTL-NCELDCMTSA-N	435.549	3.985	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCc1ccccc1	408794237	INCOUALBZYGVTR-HZHRSRAPSA-N	425.488	3.605	50	40	IHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)c1	408850028	DAPFULFPMBWLCT-UVTDQMKNSA-N	446.301	3.823	50	40	IHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCC(=O)OCC	408850939	GSVSGBNPMWPBLV-QFEZKATASA-N	436.464	3.876	50	40	IHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3-c3cccc(C(=O)O)c3)oc12	409096553	KOJPTAQGGOCTSG-FSJBWODESA-N	448.391	3.602	50	40	IHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Br	409313854	DLASICLVXVCGQX-XKZIYDEJSA-N	431.286	3.632	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OC	409336415	SFUOBZZPMBCXJE-NHDPSOOVSA-N	437.290	3.725	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccncc2)cc1	1474498	LSCUILYVAYMJEX-AFUMVMLFSA-N	444.520	3.586	50	40	IHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	9200728	OVUZYHRWFXFWBJ-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1OCc1ccccc1	9720854	HOASNRQGTDIPOB-OEAKJJBVSA-N	434.408	3.775	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	20208389	GIZHNWKAGVMRPA-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
N#CC1=C(N)OC2=C([C@H]1c1cccnc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558247	DWIKVWILRISKCN-NRFANRHFSA-N	442.500	3.608	50	40	IHGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	95483084	HIWLMJNAUKQMPE-CNPYVQQSSA-N	439.269	3.950	50	40	IHGB	
CCCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC	409368198	PFNLEBNLYXKVEW-NTEUORMPSA-N	440.281	3.618	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Cl)c1OC	657723	BCAWSQJVOQIUFL-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(SCC(=O)NC(C)C)N1	4082999	AMXMHJFVIXPUOU-QFIPXVFZSA-N	447.564	3.674	50	40	IHGB	
COc1ccc(OCCn2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1	6177708	GXKXHXQYOLYQKY-HSZRJFAPSA-N	441.491	3.979	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCOc1ccccc1	13424131	UAJIPGNWCAPEHX-QDUHJBTASA-N	436.508	3.745	50	40	IHGB	
Cc1ccc([C@@H]2[C@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	102665353	LARDTZQEAYSVKI-BHDDXSALSA-N	443.499	3.818	50	40	IHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)cc2OC)cc1	409003763	URZKTZWPYPRJKR-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2225090	YJWGDGLILBZLND-NRFANRHFSA-N	428.448	3.526	50	40	IHGB	biogenic
CN1C(=C(C#N)C(=O)COc2ncnc3sc4c(c23)CCCC4)N(C)c2ccccc21	2663190	XSKBMAMLAIQHOD-UHFFFAOYSA-N	431.521	3.839	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	9376522	QKHCEUNUMKGRIK-IBGZPJMESA-N	437.521	3.751	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@@H]2CN(Cc3ccccc3)CC=C12	13512750	DBMWCXFMDACMRF-FYYLOGMGSA-N	427.458	3.890	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(C(F)(F)F)cc1	19861420	TYXPYSKTPHLPKD-LGJNPRDNSA-N	438.881	3.627	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2Cl)c(OC)c1	27563602	PVGOASBBOJQGOZ-LFIBNONCSA-N	426.856	3.542	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3ccccc3)cccc2[N+](=O)[O-])cc1	409222675	DBPBHKIISMIBOB-YQQIJQLDSA-N	445.431	3.986	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3c4c(cc(C)c(C)c41)[C@H](C)CC3(C)C)C(C#N)=C(N)O2	1461542	VORAVIWEEKFZIF-YDBLSZJJSA-N	431.492	3.570	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1	2413620	RWRMBXFKJQFOJO-LVZFUZTISA-N	436.471	3.753	50	40	IHGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NNC(=O)c1ccccc1	2628457	FASJIGLAZNLPDB-UHFFFAOYSA-N	447.495	3.627	50	40	IHGB	
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)CCCOc1ccc(Cl)cc1Cl	8395935	UZIDADWZHBNOIU-RGVLZGJSSA-N	428.276	3.758	50	40	IHGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cc(Br)cs3)[C@H]2C1	8442020	BXYPVYCBZBLBKT-RDJZCZTQSA-N	428.359	3.644	50	40	IHGB	
COc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1	9520017	OVXDONAIWWQBIQ-UHFFFAOYSA-N	432.505	3.939	50	40	IHGB	
CN(c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1	18191708	KKOLXRXUFGBRLF-HZHRSRAPSA-N	427.913	3.929	50	40	IHGB	
CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)C1	102647500	LAZSOEDTQBWZFT-XLQFBYHZSA-N	444.579	3.954	50	40	IHGB	
CC(=O)N/N=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1	408836008	PCZJGBSWEOMINQ-YDZHTSKRSA-N	445.928	3.794	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2cc(Cl)ccc2o1	409015480	NHMDXHQFQDNEJU-WSDLNYQXSA-N	428.832	3.595	50	40	IHGB	
CCCCNC(=O)CCCC(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	9850972	VKEMLCNYVGUFRC-UHFFFAOYSA-N	441.372	3.572	50	40	IHGB	
CCOC(=O)COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	33560473	OGNLETKZIMVWNA-AFUMVMLFSA-N	433.464	3.504	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1CSc1ccccn1	996457	KUCSPSXTWKSPAM-HXUWFJFHSA-N	433.489	3.862	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	1434395	NCNOKIXPYUDPGO-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1Br	9096116	KKCDUWFQAWEIQO-WSDLNYQXSA-N	434.334	3.768	50	40	IHGB	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	9411610	VFQIEHJBHKTNIV-ZMOGYAJESA-N	429.436	3.771	50	40	IHGB	
CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=C3C(C#N)=CNN32)ccc1O	9577278	DBJJBIQUTBJCRX-JOCHJYFZSA-N	429.480	3.693	50	40	IHGB	
O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Br)cc1	16400330	YJWNEIJDSUGWCN-ODCIPOBUSA-N	429.101	3.522	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Cl)cc2C)c(OC)c1	27563611	YDMLTCGWMVQHPX-GZTJUZNOSA-N	440.883	3.851	50	40	IHGB	
CCCn1nc(C(=O)NNC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc2c1=O	28409099	JWKLSFATYHGOCB-UHFFFAOYSA-N	447.322	3.507	50	40	IHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(I)o1	33335978	HRMVYSQHSHQYBN-FMQZQXMHSA-N	439.036	3.720	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OCC)c1O	59249196	VXAWPMRMPASRHK-OVVQPSECSA-N	430.504	3.906	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)cc2)cc1	102978118	CKPDQLXTXLQDLT-WNAAXNPUSA-N	429.476	3.775	50	40	IHGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965544	INZYNLQUUSDMOP-FMCGGJTJSA-N	445.932	3.551	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1O[C@@H](C)C(=O)O	409229102	JURPBTMMQNTXBH-GVIGZQTCSA-N	445.269	3.855	50	40	IHGB	
CC(=O)NNC(=O)c1csc(-n2nc(-c3cccc4ccccc34)cc2C(F)(F)F)n1	1415698	CVFBGTJXIFQWSH-UHFFFAOYSA-N	445.426	3.949	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)c(C)c2C)cc1Br	1926722	GEBBMIYRUZOUNO-UHFFFAOYSA-N	425.710	3.868	50	40	IHGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1C	2134319	HUIVASJINKOABC-UHFFFAOYSA-N	438.311	3.555	50	40	IHGB	
CCn1c(SCC(=O)NNC(=S)Nc2ccccc2)nnc1-c1ccc(Cl)cc1	8691767	LMOLNHSMDKUEAJ-UHFFFAOYSA-N	446.989	3.728	50	40	IHGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(Br)cc2)cc1	9261962	LZNNDBYLROCKEN-OEAKJJBVSA-N	441.329	3.835	50	40	IHGB	
COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1	13058626	QDMJRRDZCWRBPP-GHRIWEEISA-N	441.447	3.716	50	40	IHGB	
N#CC1=C(O)NC(=O)[C@@H]([n+]2ccc(-c3ccncc3)cc2)[C@@H]1c1ccccc1C(F)(F)F	13136314	IBRYOUYRFLHPIA-UXHICEINSA-O	437.401	3.803	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1	35168766	KVCQNICKSFEFEG-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	59334952	LAGFWJYAPFQREY-DHDCSXOGSA-N	430.258	3.931	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)cc1	223151643	XYMGBBYCQKIMKR-QFEZKATASA-N	434.496	3.509	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccccc2)cc1	1474032	PPUXDQICFAFTAG-MFKUBSTISA-N	444.520	3.580	50	40	IHGB	
C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)Nc1ccccc1OC(F)F	97998922	LDEFZKHAHZIHJI-QXPQOBGOSA-N	429.423	3.831	50	40	IHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(Br)cc1	408744295	KFTGQSGBZBZJCL-YHYXMXQVSA-N	433.174	3.517	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br	408756110	QWOUHOIAIMMLSP-LPYMAVHISA-N	426.270	3.929	50	40	IHGB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNc1ccc([N+](=O)[O-])cc1	8838158	YRSWHLJPFMNFOJ-PTNGSMBKSA-N	448.551	3.781	50	40	IHGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc(Br)cc1	8895738	QUYKTYWESGNQKK-BKUYFWCQSA-N	444.358	3.877	50	40	IHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)NC(=O)[C@@H]1C#N	9015106	UBBAFFRJHAQSEP-XMSQKQJNSA-N	447.516	3.650	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc2ccccc2c1	15018799	QCPXFWVIGMFZPK-WPWMEQJKSA-N	447.535	3.600	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OC	83299109	HSUJGOYTCPMRIK-NEIHUHTASA-N	435.318	3.820	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1[N+](=O)[O-]	408828190	LKCRFIJUAGDSLD-CVKSISIWSA-N	444.491	3.926	50	40	IHGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	409106282	QXNSGNJAZBCDQS-OVVQPSECSA-N	439.471	3.562	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	657356	ICPUFTHENLPAHK-AWQFTUOYSA-N	427.682	3.649	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9127303	BSDAOAJOSMNMAX-BRJLIKDPSA-N	435.406	3.776	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc(C)c(C)c1	15982259	VHPCXIJXGKHMMJ-LGUFXXKBSA-N	435.549	3.936	50	40	IHGB	
COc1ccc(CCNC(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1OC	100868284	QKVJGTNRBPVIQY-MAODMQOUSA-N	438.362	3.521	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C	409012316	QKTCWGHGXHJLLF-CVKSISIWSA-N	432.480	3.570	50	40	IHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)c1	409362799	KEXACLLYSNIDIP-MFKUBSTISA-N	436.464	3.833	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	804018	PHIPIZLFSWPZGD-NZQKXSOJSA-N	431.540	3.618	50	40	IHGB	
O=C(c1ccc(O)cc1)[C@@H](Br)[C@H](Br)C(=O)c1ccc(O)cc1	1671973	IEIFUWWNNMXHCI-KBPBESRZSA-N	428.076	3.690	50	40	IHGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	8440458	LYCVKMCETVDUKU-ZROIWOOFSA-N	428.857	3.501	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O	9289398	QPPCZUDIOSEEIZ-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c(O)ccc2ccccc12	408970022	YSPIOALUZSTJMQ-TVYAFPLLSA-N	447.535	3.914	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2c(C)cccc2C)ccc1C	409010648	CYGRBWWAQXQBDK-ODDBZWQPSA-N	439.556	3.680	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCc1ccccc1	409229129	KDLBZSZNOAMUMQ-NVNXTCNLSA-N	444.285	3.529	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNc1ncnc2ccccc12	585152535	YMFDLTJWISIJJK-FQEVSTJZSA-N	446.511	3.690	50	40	IHGB	
O=C(CCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C/c1ccc2c(c1)CCC2	1714243	VGNYMYYPQZBUAR-XUIWWLCJSA-N	430.552	3.825	50	40	IHGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1	2135151	KBVXLQZRBGWSRM-UHFFFAOYSA-N	438.311	3.555	50	40	IHGB	
CCOc1cc(C(=O)NNC(=O)[C@H]2Cc3ccc(C)cc3S2)cc(OCC)c1OCC	14253085	QGXKJEXHHGSHIA-HXUWFJFHSA-N	444.553	3.669	50	40	IHGB	
O=C(O)COc1cccc(/C=N\NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	32112000	KHTUFZBZMWZRJY-JJFYIABZSA-N	425.268	3.766	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccccc2)cc1	59515262	OAHMTORTMGQROE-LPYMAVHISA-N	433.380	3.519	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	105064725	VWCSYEZUZVEAJZ-ZVHZXABRSA-N	435.436	3.712	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(C)cc2)cc1	409217710	AEQJRDQMHVVBQL-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc(OC)c1OC	985173	LQKOJKKQTMCQNG-KRWDZBQOSA-N	438.871	3.974	50	40	IHGB	
COC(=O)c1ccccc1OP(=O)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2293456	SNDDGZKBYDNUOD-UHFFFAOYSA-N	442.320	3.598	50	40	IHGB	
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NNC(=O)c1ccc(Cl)cc1	2629597	GKKCPASNMADISU-UHFFFAOYSA-N	449.850	3.766	50	40	IHGB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777908	UPDMGTICYKMZRT-XCXWGBRNSA-N	432.856	3.656	50	40	IHGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(O)cc1	6190702	OKIXAWRLILBKDW-FXZATJRASA-N	429.520	3.815	50	40	IHGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(C2CCCCC2)cc1	9109874	WHQBDGRNKDJMNQ-ZVHZXABRSA-N	436.520	3.558	50	40	IHGB	
Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CN3CCOCC3)cc2Cl)cc1	59246607	MVIZBSUBTSLQKD-MSXFZWOLSA-N	436.339	3.663	50	40	IHGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	223162541	WCQAJVGAQAKCGO-WGARJPEWSA-N	446.507	3.586	50	40	IHGB	
COc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(C)cc1	408924485	JGPLUBVCOSKNHX-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
O=C(N/N=C\c1ccc(O)c(I)c1)c1ccc(-n2cccc2)cc1	408965156	UELUHVYRCGAGKW-NDENLUEZSA-N	431.233	3.551	50	40	IHGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	409128812	UJGZDUDZOOIAGS-SFHVURJKSA-N	443.297	3.675	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2CCCC=C12	1057655	LLZKFVXCOHAUEZ-JIPXPUAJSA-N	431.499	3.981	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nc3ccccc3c2=O)cc1	1478348	AIZUNDOLSPJKPG-ZMOGYAJESA-N	448.504	3.538	50	40	IHGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)s2)cc1	2366495	PTGRUPHYEAILON-AWQFTUOYSA-N	446.579	3.792	50	40	IHGB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)CCCCl)scc12	9381383	KMBVACKPWBUCOW-UHFFFAOYSA-N	433.917	3.890	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1OC	13586108	CPIYLCSBEICGHY-SFHVURJKSA-N	430.302	3.750	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408904728	NRBBIVHXXMIBOO-JJFYIABZSA-N	427.800	3.779	50	40	IHGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Br)cc1	805163	HXKQBTPDDQCFRS-CNHKJKLMSA-N	426.064	3.704	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1OC	3252393	VZIJHWCUVBOYCG-CVKSISIWSA-N	427.464	3.715	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567614	YUHIIQSENINSBC-SANMLTNESA-N	440.478	3.817	50	40	IHGB	
COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(C)nc1	13940417	HZUXWJWECJFIBD-UWVJOHFNSA-N	427.096	3.688	50	40	IHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	19950294	JNDGFVUDNCNFFO-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	31637144	OZEYDTBJXWOHRU-OXGXFOOWSA-N	432.094	3.901	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31858969	HVPAQDOCJJZPHO-DQARVQNHSA-N	438.553	3.693	50	40	IHGB	
CN(C)C(=O)[C@@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	100834767	TVONSFUYJGNUKO-NZXMKCKXSA-N	431.994	3.760	50	40	IHGB	
O=C(CCCC(=O)N/N=C/c1ccc2ccccc2n1)N/N=C/c1ccc2ccccc2n1	104081356	TUKWHCVKDHPDOI-CTVDDJEBSA-N	438.491	3.554	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCc1ccccc1	408964219	CBJBPRQYJZOOBP-LGJNPRDNSA-N	448.410	3.957	50	40	IHGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)C(N)=O	408992236	QYKMLURYUPHIAP-BJMVGYQFSA-N	427.423	3.656	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1	409131257	NXCALLLNTWDVSA-LFVJCYFKSA-N	437.521	3.593	50	40	IHGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	690870	PYIXEEMIEPILLW-NTKDMRAZSA-N	444.510	3.567	50	40	IHGB	
CN(C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	2708143	TVONSFUYJGNUKO-VSYUYLJXSA-N	431.994	3.760	50	40	IHGB	
O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1	8823942	FYKQOEFQAHXZNF-UHFFFAOYSA-N	433.795	3.820	50	40	IHGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl	12628985	RFOPSJCCTCFRDU-WYMPLXKRSA-N	432.908	3.829	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	107789152	KPFHAXDXSWXDDU-MTJSOVHGSA-N	448.273	3.624	50	40	IHGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1	216934661	BBGSVUIEEQVNQL-UHFFFAOYSA-N	430.302	3.814	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC)c(OCC)c1)c1ccccc1	408976324	ALWVSXICZVWQAO-GXDFBKAQSA-N	427.501	3.812	50	40	IHGB	
Cc1cccc(NCc2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2C)c1	2762808	NBNFJDXQSXRUAH-FOKLQQMPSA-N	428.949	3.631	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)Cn2cnc3ccccc32)cc1CSc1ncccn1	9130815	ZRXQFFXSLRVQKE-JVWAILMASA-N	446.536	3.668	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	33776444	ZLVNUNUMGCWVGB-MYYYXRDXSA-N	446.463	3.614	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1OCC(=O)OC(C)C	408600179	ACLSDERQMBSQSI-JJFYIABZSA-N	449.301	3.552	50	40	IHGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(SC#N)c1O	409045770	HXEVTDCXIDHWFR-SDQBBNPISA-N	443.868	3.602	50	40	IHGB	
Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)NCc2ccccc2)n1	409101274	AWFHGXNPVZUYTC-LICLKQGHSA-N	447.476	3.773	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1OC	409160453	PZLICRCKQXJILI-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccn4)c3C)oc12	409250757	YBKNAAPFZPSNOS-WYMPLXKRSA-N	433.424	3.916	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OC	409305587	WAVIVEMIZXEICT-OYKKKHCWSA-N	430.888	3.922	50	40	IHGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F	2317121	IMNPEBOFTBSPNK-GFCCVEGCSA-N	441.155	3.947	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	3067316	RXQRYSAIFBTWIK-DHRITJCHSA-N	437.418	3.982	50	40	IHGB	
Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1cccc(Br)c1	28217105	XCWYTLZIVLCJGR-FOKLQQMPSA-N	444.358	3.889	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OC	28217804	KBOWMBLXUANFFG-ZFJBLLOBSA-N	433.302	3.860	50	40	IHGB	
O=C(O)Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	33304949	XIYQDNOPBWWCCB-AFPJDJCSSA-N	440.253	3.999	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1	36235325	BQTWENDBERFBBX-YXNRUMOYSA-N	427.460	3.645	50	40	IHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	58914089	UIXSNWHUIYMEOM-YUMHPJSZSA-N	436.943	3.947	50	40	IHGB	
COc1cc(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O	408905094	SXFRXNOSWOWEPG-UWVJOHFNSA-N	434.202	3.582	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4c(F)cccc4Cl)c(=O)c23)C1	1783427	LIRPRYHOKJJAJB-PCFHJBBPSA-N	432.908	3.526	50	40	IHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	9317688	RPPMKEWMHGYXKH-YRNVUSSQSA-N	430.873	3.833	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1	16440121	PRNCOLXCTCHKMU-VGOFMYFVSA-N	443.253	3.900	50	40	IHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OCc1ccc(F)cc1Cl	226336868	SHXSSPRSGPUJJO-GORDUTHDSA-N	429.673	3.832	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O	408776018	KWICCDYTJKULJJ-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OC(=O)c1cccc2ccccc12	408899425	PDKBQWUBVVTKDA-FOKLQQMPSA-N	442.269	3.832	50	40	IHGB	
C#CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	409128800	UJGZDUDZOOIAGS-GOSISDBHSA-N	443.297	3.675	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	2735792	ZJXSPSOJIJHSHQ-QGOAFFKASA-N	448.456	3.698	50	40	IHGB	
COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC	8780814	DOZSDFVQMRIDEO-AFUMVMLFSA-N	445.947	3.728	50	40	IHGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl	9318075	RZJCDXRMYVGYDO-VIFPVBQESA-N	435.666	3.780	50	40	IHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	9720647	LPJBHQZELJDUMO-BUVRLJJBSA-N	441.940	3.681	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nn(-c2ccc(Cl)cc2)c(=O)c1C#N	15229673	QDBNGOIVFHMJEM-VYYCAZPPSA-N	441.878	3.983	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccccc2F)cc1	409007216	VLVTVNGQGWOPPZ-YDZHTSKRSA-N	445.541	3.537	50	40	IHGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cc2ccc(OC)cc2nc1Cl	872620	KUFCLJZSJHPWDQ-MRXNPFEDSA-N	434.279	3.760	50	40	IHGB	
O=C(N/N=C/c1ccc(O)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	8454786	JDEUQDMFXZRAHC-MBAGFTIUSA-N	444.200	3.741	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC	20195259	ZUEHAQMKTXMTJC-DHRITJCHSA-N	446.931	3.990	50	40	IHGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	26894938	AYVRDNBGEQFCMU-UHFFFAOYSA-N	444.238	3.787	50	40	IHGB	
CCCCN1C(=O)/C(=N/NC(=O)CNc2cccc(C)c2)c2cc(Br)ccc21	100175950	HGEVRMSERCWOLR-LKUDQCMESA-N	443.345	3.837	50	40	IHGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1cccc(Cl)c1	408853018	KMEIVPARWQAPHE-GRSHGNNSSA-N	427.686	3.688	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2C)cc1	408861693	FPWJLDUITUAYIW-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
COCCOCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1668407	PWLBJHOROWTGGC-MEBBXXQBSA-N	440.128	3.682	50	40	IHGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1	13923736	IWVRSVYMYWKSGE-WGOQTCKBSA-N	431.492	3.925	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccc(C)cc1	16162395	XOIALCBVRSVIPR-HZHRSRAPSA-N	441.578	3.965	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OCC	408818587	XIWHTNBUPFAXEY-LDADJPATSA-N	438.480	3.890	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	1263101	RUBFVGIEGXYXSM-FZKQIMNGSA-N	432.307	3.861	50	40	IHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc(CC)cc2c1=O	1784458	AVGKWMCJVWIJND-BRJLIKDPSA-N	434.521	3.723	50	40	IHGB	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)n2)n1	3283831	GTFUPUYHFCZVOB-UHFFFAOYSA-N	448.870	3.536	50	40	IHGB	
O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NNC(=O)Cn1ccc2ccccc21	9246661	YLKWAMCZUKSTRX-UHFFFAOYSA-N	440.503	3.934	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc(Br)s1	9442782	IEIAWOPZHYXDPX-UHFFFAOYSA-N	428.358	3.674	50	40	IHGB	
O=C(COc1ccc2ccccc2c1)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1	12779660	FNJQUVMTCIZNPO-UHFFFAOYSA-N	425.293	3.535	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	20232973	LOIMKFLKKPFDBK-XQNSMLJCSA-N	439.562	3.998	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1	408529450	JRSNCIBUBWCZBZ-LIMNOBDPSA-N	446.223	3.744	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	409006331	IRPBQWFOYSRGAM-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
Cc1ccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc1	409057844	MMAUSUNQAQLGDS-PPDIBHTLSA-N	439.397	3.504	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(C)cc2)cc1	409221874	BGJZLJHXPVOCKD-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
CCOC(=O)N1CC=C2[C@@H](C1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	1073871	WATOUHJMGJOHBB-SJLPKXTDSA-N	441.413	3.587	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21	13567637	AMUAXFRJIRNHPX-XMMPIXPASA-N	430.895	3.775	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2F)cc1	16309488	BATUSCZXAJOKFI-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1OC	16806508	HCSJWOJMYXDWGP-STZFKDTASA-N	445.519	3.605	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1F	59104102	KUSNQDFYNFRHRV-OMCISZLKSA-N	437.006	3.550	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccc(OC)cc2)cc1I	408904607	MCQDBQHGTYZQLD-ODLFYWEKSA-N	439.253	3.854	50	40	IHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)(C)C)cc2)c1	408992560	AMIMGRUBMLJQBD-DHRITJCHSA-N	441.597	3.980	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1	409026006	DIJQNVQJMMHSFM-NCELDCMTSA-N	435.549	3.985	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1O	2675476	CBOMDIZEUSRYFR-IFRROFPPSA-N	448.100	3.999	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)ccc1O	3192567	RAWTZSRLNMWBDC-KRWDZBQOSA-N	438.505	3.606	50	40	IHGB	
Cn1/c(=N/NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)sc2ccccc21	12311557	ZCSFHEOSHGYPPW-LNVKXUELSA-N	425.514	3.774	50	40	IHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl	12797508	WFBXDUXWXPGJEU-GFCCVEGCSA-N	439.320	3.924	50	40	IHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(Cl)c(C(F)(F)F)c1	20213367	OEBGEALUMAYBBP-UHFFFAOYSA-N	439.887	3.951	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc(OC)c1OC	95532809	XBJRTORKESBLMK-SMXJJXQCSA-N	448.475	3.744	50	40	IHGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(F)cc1	107954691	NWYBSJJFMVDZHI-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408610651	OTHVINFOXSEZEI-AFUMVMLFSA-N	431.920	3.684	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1	408860878	HDOPYKCLFMIXDI-PCLIKHOPSA-N	436.537	3.551	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1	409011249	GRBNIJYXVCHVOF-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1ccccc1O	681145	RBPDLNLSVVBAGL-UDWIEESQSA-N	431.233	3.551	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(Br)cc1O	1097347	BEZHPIASITTZSJ-FOKLQQMPSA-N	444.285	3.631	50	40	IHGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(Br)cc1	1433699	GCUIGDJACPIVCX-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1	3665945	UMDHXNONBNFVIC-CPGHBSSUSA-N	428.448	3.824	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@H](CBr)[C@@H]2C4)cc1	100017847	QEFDBEIHKLONII-VCLTXYEDSA-N	430.320	3.746	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC#N)cc2Br)cc1	408746854	WVMZDUVOAOPTAL-ZROIWOOFSA-N	442.269	3.914	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408968734	YJCWDKWGGSOZCV-FOKLQQMPSA-N	432.249	3.797	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)NC(N)=O	409232301	PYXIMYRFIPLMGN-XGICHPGQSA-N	435.223	3.582	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)cc1	1094468	ITDSZXCCTSWDNJ-CVKSISIWSA-N	432.480	3.570	50	40	IHGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl	12894519	WRMAEKQIQORFKU-LBPRGKRZSA-N	439.320	3.924	50	40	IHGB	
C/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccccc1	13536795	DYLFXXQDPYSMTA-FYJGNVAPSA-N	444.358	3.877	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1C	408857829	WSLAMQSOODKZEK-AQTBWJFISA-N	442.475	3.697	50	40	IHGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1	408858060	IVSHERIIIAJDCE-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(-n2cccc2)c1	409069830	AOYBBISJUDQWGI-JAIQZWGSSA-N	429.230	3.618	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccccc1C(=O)O	409202828	SUAQAIPJAQEDPD-MSXFZWOLSA-N	425.872	3.975	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2	9884963	LWZKWXFSLINTKA-LBPRGKRZSA-N	438.534	3.626	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(OC)c1	13388013	MBTVUDQPHQHDKY-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccccc3)nc12	13786726	MZVKBBCLFAEZAZ-GHRIWEEISA-N	426.432	3.612	50	40	IHGB	
COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CCC2	20220658	KXCZXWMJEGQMES-UHFFFAOYSA-N	449.623	3.985	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408986762	DKVYGGLHLRVVIQ-IQFHQVDXSA-N	433.512	3.521	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1	33795092	MHPKFVUBCVVDME-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1	34966847	IQXNFLVKBPDCIZ-UHFFFAOYSA-N	447.141	3.705	50	40	IHGB	
COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	46085017	RFMOXVBSZVWWCB-VYIQYICTSA-N	449.894	3.795	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	408592433	YCVHIQCKDBWSPO-WSDLNYQXSA-N	437.412	3.683	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(C)c2C)cc1	409025143	MKEMQFKKMPYRER-OEAKJJBVSA-N	425.510	3.550	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	409026003	DGLXNLWXQKNRFC-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1I	9263137	GOSRXRYGGFJFRH-MHWRWJLKSA-N	432.261	3.913	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC	9951513	HEOYAPRDFUUZDV-UHFFFAOYSA-N	436.512	3.768	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(CC)cc1	20348284	LSVAKVGMOZKICJ-OAQYLSRUSA-N	447.560	3.864	50	40	IHGB	
CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)C1	103866273	LAZSOEDTQBWZFT-WMRZFBBGSA-N	444.579	3.954	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1O	408544512	ULCKFDZDNAGVBD-MLPAPPSSSA-N	431.242	3.797	50	40	IHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408612987	YCWFJBXHASTOKQ-NUGSKGIGSA-N	426.275	3.686	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	409182135	IFRIASJJIYQLOP-SRZZPIQSSA-N	440.368	3.544	50	40	IHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Br)cc1	409223955	JMYQNZMMDSGHSK-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1	409316264	LKEXUQZUFFUGJV-JTDSTZFVSA-N	427.570	3.947	50	40	IHGB	
Cc1nc2ccccn2c1C(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	9335337	WJWFBXVOAKERPG-SZXQPVLSSA-N	443.894	3.977	50	40	IHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(O)c(I)c1	105139559	MOJSEZFDDVWTFD-SRZZPIQSSA-N	446.244	3.923	50	40	IHGB	
CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253408030	XBLCAVXFSJRLJJ-OAQYLSRUSA-N	426.480	3.570	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1	408611814	WSEXRDNWPRRQGW-GOSISDBHSA-N	449.482	3.910	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(=O)O	408745268	QSTBQNDGPBALDQ-AUWJEWJLSA-N	445.269	3.775	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2C)cc1	409008917	AGFJCXYXUIFPGD-YSMPRRRNSA-N	447.491	3.550	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1Cl	409062297	RJTHENIDNQRUCU-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)N1CCOCC1	409067750	ZHSSLFVLCAAPJB-RVDMUPIBSA-N	438.846	3.980	50	40	IHGB	
C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cccc1c32	2218076	UHGPYYNTLUFVAN-IYJVBRSBSA-N	434.503	3.932	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(CCNC(C)=O)cc2)c1C	8775331	HLRAYVVFLJZASR-OEAKJJBVSA-N	435.524	3.527	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1	9846958	FFQKLWQKYSDWLQ-FSJBWODESA-N	439.859	3.745	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1	27563554	FQKKGIOWHALIQZ-UQNIYPKTSA-N	448.475	3.540	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)C(=O)N/N=C\c1ccc(Cl)c(Cl)c1	31637140	OZEYDTBJXWOHRU-BDVMWVQXSA-N	432.094	3.901	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O	409219336	PPLDQBSHCJYLFD-NTUHNPAUSA-N	434.279	3.802	50	40	IHGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(CSc4ccc(C)cc4)c32)c2ccccc21	8442112	PMYOYMGHIBBIRG-DEOSSOPVSA-N	443.532	3.749	50	40	IHGB	
C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	9914812	GOBCRITURFQQQL-IRPICPOESA-N	432.299	3.562	50	40	IHGB	
Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)c4c[nH]c5ccccc45)cc3)cn2c1	10999886	YHSLGJGSURZBRN-UHFFFAOYSA-N	439.475	3.778	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc(Cl)c1Cl	19367304	JRSGWYCYSQWPOO-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc([N+](=O)[O-])cc1	409194237	IKVLDIZUZFABJS-YBFXNURJSA-N	444.447	3.954	50	40	IHGB	
O=C1Nc2cc(Br)ccc2/C1=N/NC(=O)c1ccc(COc2ccccc2)o1	84556879	MUTMYQUEURPPLH-UHFFFAOYSA-N	440.253	3.707	50	40	IHGB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br	103916643	ZSARENITAHVHEP-BOPFTXTBSA-N	431.265	3.519	50	40	IHGB	
COC(=O)c1ccc(NC(=S)NN(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1	1086032	YHAGXSOIBZGQSU-UHFFFAOYSA-N	433.489	3.657	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)c(Br)o1	1440639	HYWQFZFPKUCXMP-CNHKJKLMSA-N	430.096	3.951	50	40	IHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(OC)cc2)c(OC)c1	1904107	JLPMAOSXEQQUBW-GHRIWEEISA-N	425.437	3.548	50	40	IHGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)Cc3ccccc3)c2)cc(OC)c1OC	3146158	CESUPIKIPDGHCW-WGOQTCKBSA-N	448.475	3.624	50	40	IHGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccncc1	8664622	ZMQPLZJLNZTOQI-LYBHJNIJSA-N	435.281	3.525	50	40	IHGB	
COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)cc1	108145779	KNKFGNBKCWGOBJ-QGOAFFKASA-N	443.459	3.964	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408606751	ASRVAANJEWWTGK-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408921755	BUCCIJVRHQEMHT-NYYWCZLTSA-N	436.207	3.911	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccccc2)cc1	1478264	NTEACEBNDQPFNZ-MFKUBSTISA-N	444.520	3.580	50	40	IHGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OCC(=O)O)cc2)cc1	3278659	ZOTLHJBDNBZDJJ-CVKSISIWSA-N	448.475	3.892	50	40	IHGB	
CC(C)CCOC[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	8965081	OXEYJANPEZRLMM-IFMALSPDSA-N	443.613	3.677	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)O	12462806	YUAGVXHAKGVQFR-AUWJEWJLSA-N	445.269	3.775	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	33663111	XLKSIKBKXIFNEC-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
COc1ccccc1CNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C	408706906	DYPHRFKKWSBSOF-JVWAILMASA-N	446.507	3.522	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1Oc1nc(Cl)ncc1F	1818447	DLIPCFCELZWEFS-OPEKNORGSA-N	443.866	3.900	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	9948566	CTHPIOOHLYCURY-JBGDTLJESA-N	434.448	3.826	50	40	IHGB	
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	12628536	ZCCSRRYYYSAFJX-IBGZPJMESA-N	445.269	3.803	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(I)c1O	15012565	FBMNKJDJUWQVIW-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	19947898	NSCPNSCTEBZXOO-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	102066173	JLNQICVXYLBYEA-TUVASFSCSA-N	444.167	3.595	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408607560	DPNUYRPUXFRGBC-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OC(C)=O	408751684	BOCCUALIRUHSBP-SRZZPIQSSA-N	435.274	3.546	50	40	IHGB	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)c1C	585079603	LBLZBCXYEICDNM-CENUYRETSA-N	435.528	3.982	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)c(F)c2)[C@H]2CN(Cc3ccccc3)CC=C12	680231	GFGMDGPZMISLEI-REWPJTCUSA-N	427.458	3.890	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@H]1COc2ccccc2O1	9477574	RDOCOYFEXGLWRV-FINLKQIMSA-N	430.489	3.891	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1	59248390	OHQHMFIUSROUHB-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCCC2)cc1	59515892	NORNKRWEVJIZOI-UHFFFAOYSA-N	427.570	3.665	50	40	IHGB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNC(=O)CCc1ccccc1	408537182	ZJUPWLLXGKWPKZ-AQTBWJFISA-N	441.329	3.618	50	40	IHGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408707675	LRMCRIDRQZDTFD-JHAVZTMOSA-N	435.297	3.697	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1Cl	408971139	MWCQQDUDHVACNV-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
Cc1cccc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)c1	409059715	NPAHYSQMJUKVGH-PPDIBHTLSA-N	439.397	3.504	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OC)cc4OC)CSC3=C2C#N)cc1	2226544	PKZZAYBEDBUGCO-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2228891	LDTOZQVRZGYTFX-SJCJKPOMSA-N	432.307	3.861	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2	9461121	UWFAUOLFWILNPE-LJQANCHMSA-N	449.308	3.581	50	40	IHGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21	17113081	MAIWVGFYOWBXDN-PYCFMQQDSA-N	430.302	3.682	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247096	DGLVTHYXQFSDRJ-SKLAUCLBSA-N	431.517	3.930	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2C)cc1	58913334	JTOGPQBXYJNYAA-MFKUBSTISA-N	434.496	3.590	50	40	IHGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=c1/c(=O)c2cccc3cccc1c32	102976976	FVIWQKSQORRVFQ-PBBVDAKRSA-N	436.467	3.819	50	40	IHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)ccc21	408884638	XYLILTBBEMYREA-VZUCSPMQSA-N	446.250	3.638	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccncc2)cc1	1479400	PWXOSKPGHZBPKG-AFUMVMLFSA-N	444.520	3.586	50	40	IHGB	
Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)c1	1790775	OMYFZHZRPNVCRQ-IMGOXIFKSA-N	442.338	3.669	50	40	IHGB	
CN(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl	2577714	AMAHXVATQHLCAR-JKSUJKDBSA-N	447.771	3.752	50	40	IHGB	
O=C(CSc1cccc2cccnc12)N/N=C1\C(=O)Nc2ccc(Br)cc21	13370436	QXBVLSSSRNCJNL-UHFFFAOYSA-N	441.310	3.562	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1cc(C)ccc1C	21649222	XNPDHSGEAIITRO-UHFFFAOYSA-N	444.944	3.704	50	40	IHGB	
C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226393772	UNNNFTAAKHFUGN-VYTYVXRTSA-N	427.136	3.526	50	40	IHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408817969	XGHUCYKUCNZKPA-BOPFTXTBSA-N	425.282	3.693	50	40	IHGB	
COc1cc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)ccc1OCc1ccccc1	9014989	RLVLOVVESIEQOI-CVKSISIWSA-N	427.464	3.823	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1	9355279	HOLMMJOBZCVDPA-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c2ccccc21	13567599	TWADRPSOPVJCMO-HHHXNRCGSA-N	436.515	3.987	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	15945114	JAFLAIHMUWCIBA-FBJMNJBLSA-N	443.297	3.785	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O	20100895	LPPUBUMOVAUYMW-AWQFTUOYSA-N	427.682	3.736	50	40	IHGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1	20493149	OKBUPHLHKGZUGL-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
COc1cc(C(=O)N/N=C\c2cccn2-c2ccccc2)ccc1I	33735561	PQOUZKZFKJIZAK-BKUYFWCQSA-N	445.260	3.854	50	40	IHGB	
O=C(N/N=C\c1ccccc1O)c1cccc(-n2cnc3sc4c(c3c2=O)CCCC4)c1	408733255	WSHIZMQFFTXSRC-ZMFRSBBQSA-N	444.516	3.796	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OC(C)=O	408813310	PGODZWLYKUUHBA-FBHDLOMBSA-N	431.242	3.893	50	40	IHGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C2=C1CCCC2=O	409131765	XYENVSCJTQVNEH-QFIPXVFZSA-N	430.464	3.904	50	40	IHGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc(C)cc4)c(=O)c32)c1	2229673	ONXSTAYCLNXYDS-HSZRJFAPSA-N	443.503	3.749	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OC	2502488	YBBYJIGBVYGRKG-GOSISDBHSA-N	445.269	3.803	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1OC	9360641	JLPHNZOVTFHBIP-HXUWFJFHSA-N	445.479	3.661	50	40	IHGB	
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1cc2c(s1)CCCCCC2	12770985	NTBKNQKZIFZSPN-UHFFFAOYSA-N	443.388	3.793	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	105070695	SGTUJOBKWXBEPY-ZVHZXABRSA-N	435.436	3.712	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1	223156145	TXCXIYCGWXOLQM-XYGWBWBKSA-N	431.448	3.744	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)[C@@H](O)c1ccccc1	409147430	XUQABNOGHMFFGU-NIQDBXHUSA-N	444.241	3.801	50	40	IHGB	
COc1ccc(Cl)c2sc(NNC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12	9447890	WOXNLQIBZQXZMG-UHFFFAOYSA-N	446.337	3.529	50	40	IHGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)c2ccccc21	13567592	VIMXHZAANANLPE-MHZLTWQESA-N	436.515	3.987	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)ccc2C(C)C)nc2ccccn2c1=O	13810705	IGDAVTBTFLWPNH-NBVRZTHBSA-N	446.507	3.588	50	40	IHGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	20214416	TWEAOUUHHLNLTN-UHFFFAOYSA-N	444.513	3.617	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	32193986	RLSBIRBXNZACNK-CVKSISIWSA-N	448.475	3.674	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	33960005	XDVWEANIXROGLW-CVKSISIWSA-N	431.492	3.980	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1	58900780	ZFGQYUZAXWABCZ-ZVHZXABRSA-N	448.435	3.628	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408608540	HORKFOYLPSHGAB-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)c1	408744239	DOUWJZMGMKLYJK-JYRVWZFOSA-N	434.233	3.941	50	40	IHGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1OC	408904872	PTRGZIAJDMSOLI-OCKHKDLRSA-N	437.250	3.839	50	40	IHGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1cccnc1	13134883	RHJOBVMMFXUSAW-UHFFFAOYSA-N	428.857	3.869	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1OC	13343516	MBAGIAGNFUVYKM-NTUHNPAUSA-N	431.242	3.710	50	40	IHGB	
CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	102538974	NISUYICBAJPVIM-DKJTXKKOSA-N	443.135	3.521	50	40	IHGB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408606134	OPBXHUMXFPMBQQ-IBGZPJMESA-N	442.541	3.820	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408964876	SXYJLCHUWYXSJM-PGGKNCGUSA-N	444.793	3.683	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)c(C)c1	409149511	IMXWYHGLLWAREZ-WGOQTCKBSA-N	449.576	3.953	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1	12463313	NYILYPPBZGUKPZ-JCMHNJIXSA-N	438.513	3.814	50	40	IHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)CCc2nc(-c3ccco3)no2)cc1	13021188	XBJPMDIUBOXUDN-UHFFFAOYSA-N	426.473	3.683	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)cc1	20198029	TVTCGGKJXSEBRN-ZMOGYAJESA-N	448.903	3.843	50	40	IHGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c(C)n(C)c2ccccc12	409000418	WHYOSIHASTYVDE-TVYAFPLLSA-N	445.523	3.776	50	40	IHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)cc1OC	409007144	TVJMJTKFUHUGKO-WPWMEQJKSA-N	445.519	3.860	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1	409311199	DSQAFBZIOICQDJ-MRXNPFEDSA-N	425.485	3.935	50	40	IHGB	
C=C[Si@@]1(C)O[Si@@](C)(C=C)O[Si@@](C)(c2ccccc2)O[Si@](C)(c2ccccc2)O1	2002125855	YFYDPUWQTWJMDA-JUDWXZBOSA-N	444.784	3.619	50	40	IHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	2198957	BNMIJRWEZUDQKH-OAQYLSRUSA-N	428.448	3.526	50	40	IHGB	biogenic
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	28214027	HXEBLPFSHPZMBI-CVKSISIWSA-N	447.491	3.550	50	40	IHGB	
O=C(CCCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	31687626	VGNYMYYPQZBUAR-HJTNQMAYSA-N	430.552	3.825	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1	58914744	ZDTVLUCJQFCTKV-FMCGGJTJSA-N	427.844	3.706	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	108927874	ZGTVALCQKGZHSI-SRZZPIQSSA-N	437.290	3.638	50	40	IHGB	
CCCOc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C	408963633	HZHLMVXCWCKXBU-QZLJHNFXSA-N	439.556	3.844	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC(=O)O	409054839	GWCFNELJJCHRTN-WUXMJOGZSA-N	449.232	3.606	50	40	IHGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2cc(OC)ccc2nc1Cl	870406	MOJIOPVJUNRCGM-INIZCTEOSA-N	434.279	3.760	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1435644	RQGIQSLVGCSPRW-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	20232889	ZNIBLKCETRBLEA-XIEYBQDHSA-N	449.532	3.840	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1-n1cccc1	409069479	JDZBAEAAUHBBRA-RGVLZGJSSA-N	429.230	3.618	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567632	BDHMYNRCRIJRJQ-DEOSSOPVSA-N	430.895	3.775	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2F)cc1	16309416	LYHPXRRSWFZEGF-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(N2CCOCC2)cc1	25196423	TVRAYNYHRVSIBT-YSURURNPSA-N	442.734	3.615	50	40	IHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	28497484	SCMQCXDBEFPYHV-XMHGGMMESA-N	446.507	3.828	50	40	IHGB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1OC	408608174	VHEZRMZHVHRPGG-LJQANCHMSA-N	447.520	3.727	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408858816	PVKDJDDRSVMKNO-XMHGGMMESA-N	431.448	3.997	50	40	IHGB	
Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2c(F)cccc2F)c1S(C)(=O)=O	1386365	YGOYUCSYIMNRLF-UHFFFAOYSA-N	431.464	3.520	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1	9381778	DGNSWJMNHDTGOP-UHFFFAOYSA-N	438.962	3.737	50	40	IHGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(I)cc1	14010331	RRXVSBQTLGYBSV-BPCHAPQNSA-N	434.233	3.839	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c1C	96035278	QDTRDVZAFVEZDG-SCYHXFEXSA-N	430.552	3.695	50	40	IHGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	409043343	QCFFTLJVJLUSCA-RQTHAHPUSA-N	446.139	3.899	50	40	IHGB	
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc4c(c3)COC4)cc2OC)cc1	409142504	LRVNIEKEIWGFOH-UHFFFAOYSA-N	446.459	3.717	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1	409226242	QCRXKQLSMXELPU-UHFFFAOYSA-N	437.883	3.984	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccn1	9492395	CCFVNAGUWVJORS-OEAKJJBVSA-N	428.901	3.690	50	40	IHGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	16178850	ZPSIHNVHXZYHNF-QHCPKHFHSA-N	439.471	3.626	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(Cl)cc1Cl	19367898	PPFGSGQFABRDBN-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	102066130	OCYLPVMLIUPUFH-UQPQVDFHSA-N	427.136	3.586	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2ccc(OC(F)F)cc2OC(F)F)cc(OC)c1OC	3319203	CVDXOAKNIJUHBO-PGGKNCGUSA-N	446.353	3.679	50	40	IHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	8398995	MJFTVDONCPROIS-UHFFFAOYSA-N	445.519	3.784	50	40	IHGB	
COc1cc(/C(C)=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(OC)c1OC	12561436	IFUYKMVNNZRZRP-BRJLIKDPSA-N	425.407	3.684	50	40	IHGB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc(C)c2)nc1	16500825	COEKKBKRICDWBY-UHFFFAOYSA-N	425.514	3.754	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)S(C)(=O)=O	20212621	MTQLYQXOFPLZTA-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20238060	QZPIDPXTTJWWEF-KRWDZBQOSA-N	425.510	3.902	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	20240374	DOOCEXULKKEGCL-NLRVBDNBSA-N	443.507	3.681	50	40	IHGB	
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OC/C1=N/NC(=O)Cc1ccccc1	104288219	UDFZTVFJSZLZLD-UQQQWYQISA-N	448.306	3.925	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(OC)cc(OC)c3)c2C)c1C	108939889	CRNGFOVRPSCJDW-WGARJPEWSA-N	449.507	3.970	50	40	IHGB	
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(OC)c1	408778137	BPJKAXBLEHNNQB-DHDCSXOGSA-N	448.260	3.532	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(Cl)cc1	408805725	LCEUMLBCBHAUAQ-GUOCTKQSSA-N	439.899	3.560	50	40	IHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409213075	SCRCQEFHQKUPCD-AUWJEWJLSA-N	447.241	3.982	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1cccc2ccccc12	409336187	SVJBXAFRTPOXLQ-WPWMEQJKSA-N	447.535	3.600	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc(C)c1Cl	4150713	PQLCSPTZYOAZMB-QPSGOUHRSA-N	439.693	3.977	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC	15277103	BWHUVLHWBGYLBD-AWNIVKPZSA-N	431.242	3.710	50	40	IHGB	
CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	103666098	KAURUWJRWPNSJD-GOSISDBHSA-N	444.440	3.527	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)Nc1ccccc1F	408709140	YBWBUEOKUZQGOP-DHRITJCHSA-N	434.427	3.665	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCC#N	408748038	XJEHCXBCNOTKOU-SXGWCWSVSA-N	426.270	3.583	50	40	IHGB	
CCOC(=O)c1c(NC(C)=O)sc2c1CCC(/C=N/NC(=O)c1ccncc1)=C2Cl	859573	UJVFKDHJMAVFCF-AUEPDCJTSA-N	446.916	3.590	50	40	IHGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccccc1Br	3084250	SDOHOEUWSWOPLM-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204580	HUIMPHXMRKRMEQ-WSDLNYQXSA-N	435.705	3.816	50	40	IHGB	
Cc1cc(NC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc(C)c1Br	9581290	PINVYHJFBDEFNH-XUGXRQAHSA-N	443.135	3.575	50	40	IHGB	
CC/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(OC)c(OC)c1	12312158	XVBYYSDYEPTPRC-HKOYGPOVSA-N	439.541	3.669	50	40	IHGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(OCC)c2)N2C(=N1)SC(C#N)=C2N	408604405	IPULXDUZYYBRMF-LJQANCHMSA-N	442.541	3.822	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2cc(Cl)ccc2OC)ccc1I	408747411	NMZAASQPKHHGKU-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)N1CCN(c2ccccc2)CC1	408784478	SZTFNQQLGLNXTM-VLGSPTGOSA-N	427.460	3.901	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc(Cl)c1	408784636	WFTVCYHAQJVSBR-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	4132863	OIGGCGFVUPZMKI-DHRITJCHSA-N	436.851	3.981	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)c1ccccn1	15980426	ROWNRHHMXKGBOW-SAPNQHFASA-N	429.461	3.997	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195146	GUFPAZJFMVWRKP-WYMPLXKRSA-N	432.904	3.600	50	40	IHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2OC)c1C	35343431	CLMXJBPPLDGTCR-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	58911887	QRSSUHKTPDSRTH-CVLFLDGLSA-N	432.524	3.820	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c(OC)c1	58913604	YEOGUXFOJSAGKB-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1	408612687	WYCYPPBCLBWSPL-IPISDEMTSA-N	445.519	3.992	50	40	IHGB	
COc1cccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1	408774196	AXROZFQJNHKWSW-HAVVHWLPSA-N	431.558	3.737	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)NC1CCCC1	409189764	SLLCTPODYOLGGU-WZUFQYTHSA-N	427.682	3.532	50	40	IHGB	
O=C(NNC(=O)c1cnc(Cl)cc1C(F)(F)F)c1cnc(Cl)cc1C(F)(F)F	2156747	FBYCFPBBPUQUHG-UHFFFAOYSA-N	447.122	3.896	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1OC	9292884	ORCYMWDQFTVJSX-HXUWFJFHSA-N	431.496	3.768	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(Cl)cccc1Cl	19849450	IPWPYXOUVMJVKB-MSXFZWOLSA-N	439.774	3.915	50	40	IHGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28213913	BJPHOPYNVBYNTA-AFUMVMLFSA-N	437.883	3.887	50	40	IHGB	
O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)NNc1ccc(Br)cc1	33591622	QSUISCRTRVWXBP-RUDMXATFSA-N	440.257	3.971	50	40	IHGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc2ccccc12	59247110	LNPMRLFKBVMKKL-VEILYXNESA-N	443.547	3.930	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1C#N	59427728	LGGSSRCLQDQYEU-MZJWZYIUSA-N	444.491	3.516	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408965673	XAJQHYHMFYRZIS-IFRROFPPSA-N	432.152	3.846	50	40	IHGB	
O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2	409124962	CPMXYDBPYZFDHD-UHFFFAOYSA-N	431.404	3.608	50	40	IHGB	
CCc1sc(/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)cc1[N+](=O)[O-]	1085456	VDMGHWNNFPTPPH-NTOSSWPYSA-N	426.292	3.899	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	6077081	ZNIQBDOAKBDKGR-VWLOTQADSA-N	428.467	3.873	50	40	IHGB	
Cc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2=O)cc1	23136189	YGLGFLPOUANSFU-UHFFFAOYSA-N	432.524	3.969	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F	409375025	DHDQDUALWYAFGW-WGARJPEWSA-N	435.455	3.924	50	40	IHGB	
COc1cccc(OCc2cc([C@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)ccc2OC)c1	809437	GLLNYKFPMSJMRN-QFIPXVFZSA-N	446.459	3.763	50	40	IHGB	
C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	9345344	GOBCRITURFQQQL-KLIGIEKFSA-N	432.299	3.562	50	40	IHGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1	20243830	MRJRLIQZCAXUQY-WSDLNYQXSA-N	434.334	3.768	50	40	IHGB	
CCOc1ccc([C@@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408606909	RSNCGWHOFKCXNV-GOSISDBHSA-N	445.976	3.992	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(C)=O	408766042	ODZILWBYOCBMFZ-AWQFTUOYSA-N	425.666	3.800	50	40	IHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1	408784210	UOXPHAPLNXYPOB-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCC#N	408787706	FEJOWJWKULRLGD-MDWZMJQESA-N	428.242	3.611	50	40	IHGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1	408858556	TWLIDVRFQWTNMQ-PTNGSMBKSA-N	430.302	3.987	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c(Br)cc1OC	409130787	UVHWOSNABAUNQW-SFHVURJKSA-N	432.318	3.586	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1	3154644	BTZWWVVRIHOIPY-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
C[C@@H](C(=O)N/N=C\c1ccccc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	6166341	LEMYMIWZJSBEAX-JIBSWZEXSA-N	428.945	3.948	50	40	IHGB	
CC[C@@H](C)c1ccccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	18179236	YPUVYUYMCSZVMU-GFCCVEGCSA-N	430.302	3.814	50	40	IHGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	27528012	YJVLAIVFPFEBQP-HZHRSRAPSA-N	427.913	3.929	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(F)cc1	59197497	MAGKRNWBHCCKPC-FOKLQQMPSA-N	434.265	3.930	50	40	IHGB	
O=C(N/N=C/c1cccc(I)c1)c1ccc(Br)cc1	59502298	WITOHCLNQNLZCD-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408925146	NAIZJIQZNXBSAT-HAFIMRKLSA-N	431.558	3.514	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1	408978986	KRHUVIQYSRBMNQ-RASHHNMQSA-N	449.463	3.972	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccccc1Br	9288111	PZDIJIRQFFZYMB-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(S(=O)(=O)N2CCCC2)c1	12531834	SSLJLVHBXCFGEN-BUVRLJJBSA-N	441.484	3.634	50	40	IHGB	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	17102194	MAJCIYWYMJNGAK-CPNJWEJPSA-N	438.491	3.729	50	40	IHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)O)c1ccccc1	409245855	ZYGLNEIXVDJLBL-LWLPBDFMSA-N	429.270	3.697	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccn3C)n2-c2ccccc2)cc1	1254129	BFSHQDFPSBMKTH-BUVRLJJBSA-N	446.536	3.524	50	40	IHGB	
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)cc1OC	2172591	QKVJGTNRBPVIQY-TYCQWZJGSA-N	438.362	3.521	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccc3ccccc3c2)cc1	8721722	WHRLZCMOXASEGC-WPWMEQJKSA-N	447.491	3.916	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1	8921535	SGNYACIKUNBNJT-SRZZPIQSSA-N	444.904	3.769	50	40	IHGB	
C/C(CCc1ccccc1)=N/NC(=O)C(=O)Nc1ccc(I)cc1C	13882095	MOXKSFMKNYXORQ-HMAPJEAMSA-N	449.292	3.663	50	40	IHGB	
COc1cc2c(cc1OC)[C@@H](CNC(=O)OCc1ccccc1)N(C(=O)[C@H](C)Cl)CC2	13998002	KRHJSZBJDFMOGU-HNAYVOBHSA-N	446.931	3.683	50	40	IHGB	
Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccc(Br)cc1)C(=O)N2	14920828	WUTFCTNWWOXRST-UHFFFAOYSA-N	437.091	3.606	50	40	IHGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1cccc(I)c1	16322117	CUCVGUBDKOCNAO-MKFNJMOCSA-N	425.295	3.707	50	40	IHGB	
N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2C=C1	20130518	KLAWEBYNWWXFNG-VPBXCIAMSA-N	445.478	3.858	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1I	408904625	MIWJBRNHCPKYJR-GRSHGNNSSA-N	427.217	3.985	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3OC)c2C)c1	408968888	ZZEOTOSGZYMIBO-YSMPRRRNSA-N	449.507	3.809	50	40	IHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004087	AKPQUHHFRXZUGP-FSJBWODESA-N	449.294	3.904	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCCCC2)NC(=O)C[C@@H]1c1cccc(Br)c1	409315649	NZZVEFIFWADHKO-OAHLLOKOSA-N	434.359	3.533	50	40	IHGB	
CC(C)CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926822	ULDVLXRASJXOGJ-VWLOTQADSA-N	427.460	3.558	50	40	IHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(C)(=O)=O	409120260	SSSAFIINPSYRGY-MFKUBSTISA-N	439.512	3.864	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1	409322555	KJUPFAVYXVILDP-IBGZPJMESA-N	449.532	3.801	50	40	IHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OCC	2249907	GGJGRDILXCEYPJ-JOCHJYFZSA-N	447.491	3.814	50	40	IHGB	
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NNC(=O)c1cccs1	3444273	TUOSNCGQNPXHMZ-UHFFFAOYSA-N	441.563	3.611	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC	9057430	GCLDATHAMCJSBP-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nc3ccccc32)cc1	9635265	VXWQPZLXPZNLFV-UHFFFAOYSA-N	432.505	3.587	50	40	IHGB	
CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	20060114	WTDCYXHTBJUCFQ-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
Cc1cc(OCC(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)ccc1Cl	29460431	LZKPLEOGVKPROM-UHFFFAOYSA-N	449.891	3.663	50	40	IHGB	
O=C(N/N=C/C=C/c1ccco1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235322	BTOPQXYAFQZMFA-VLYTWEJLSA-N	429.432	3.595	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1C	58913850	ATFUGVSOQLBVDD-ZMOGYAJESA-N	433.468	3.708	50	40	IHGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O)c1ccco1	58980208	CYCFNAFAUFPWSJ-SRZZPIQSSA-N	428.242	3.764	50	40	IHGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)c1ccc(Br)cc1	100931017	ZFBGWRJVUXZTNC-MHWRWJLKSA-N	433.693	3.644	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCC	408765285	VBKKINXTVAQIEI-RGVLZGJSSA-N	436.262	3.919	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	3664794	VZLTZJGWCBIOIY-LSFURLLWSA-N	444.207	3.565	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	9665805	USPVEFHQOVFSDL-MFKUBSTISA-N	428.517	3.931	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cn1	12747137	QUCXUTMDJAXDMV-UHFFFAOYSA-N	436.471	3.778	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2nc(Nc4ccccc4)sc32)cc1	15082945	GLGZAWHPOZLYPQ-MRXNPFEDSA-N	443.488	3.955	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)O)c1	59679462	RIVGQZQDNLKECR-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
COC(=O)/C(=C(S)\N=C\N(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101137051	YAOVZKZPGXQTTG-LGUFXXKBSA-O	449.536	3.842	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OCc1ccc(F)cc1	408612911	XJZWTNYVSYGJJY-LGJNPRDNSA-N	439.418	3.641	50	40	IHGB	
O=C(Nc1ccc(Br)cc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408683892	MKGZWWSQERGWQU-BOCQSXMYSA-N	449.526	3.612	50	40	IHGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)c1	409004522	DJKMUQABFRGXAA-VULFUBBASA-N	433.430	3.717	50	40	IHGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3cccc4ccccc34)c3ccccc31)C(C#N)=C(N)O2	9159847	XUFJYTRUFJBFMI-SANMLTNESA-N	433.471	3.791	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	9323878	ULYAAPILHCBDIF-QGOAFFKASA-N	427.298	3.751	50	40	IHGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(CC)cc3)NC2=O)cc1	11690663	BYMXWPNPDQGAPO-ZNCVUUBVSA-N	449.532	3.574	50	40	IHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(N(C)C)cc3)oc12	408960696	NXPKDYVURYAJEJ-ZVHZXABRSA-N	447.451	3.970	50	40	IHGB	
CCOC(=O)C1=C2S[C@@H](c3cccs3)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccs1	2197277	CBSXUSHZSQLMDZ-HIFRSBDPSA-N	429.548	3.692	50	40	IHGB	
CCOC(=O)c1ccccc1OCc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC	2271751	MBWPOXFIUDPGHB-VULFUBBASA-N	433.464	3.610	50	40	IHGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)ccc1O	12275738	CFGXOIAOQLKDKZ-VFNWGFHPSA-N	428.897	3.697	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cc1	106456293	VWWPZNDKZFQIOW-LSCVHKIXSA-N	428.080	3.690	50	40	IHGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408706956	FQRYTQDDFAXLCS-AFUMVMLFSA-N	430.464	3.834	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccccc2)cc1	408830053	LEYSJBYEQQQRPL-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NC(N)=O	409237839	JWUDDKTUIUKHOW-QPEQYQDCSA-N	434.677	3.783	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	1421865	ABKCGQMBLXVGAA-RUZDIDTESA-N	428.467	3.873	50	40	IHGB	
O=C([C@@H](Br)[C@H](O)c1ccccc1)[C@H](Br)[C@H](O)c1ccccc1	5014569	PRGWTZPLJPCVJZ-QKPAOTATSA-N	428.120	3.550	50	40	IHGB	
O=C1O[C@H]2[C@@H](Br)C[C@H](Br)C[C@@H]2C=C1c1ccc([N+](=O)[O-])cc1	5328196	BLSXBJSPGFBGCG-XYHOJCAOSA-N	431.080	3.841	50	40	IHGB	
CCCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(C)=O)cc2OC(C)=O)cc1	8386360	XHYVWDYKIQNTNE-MFKUBSTISA-N	440.496	3.799	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccco1	9634869	HWZVMPBECBQFSW-WYMPLXKRSA-N	442.855	3.998	50	40	IHGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccccc1Cl	12419519	QCTHQIRELDPWJL-LICLKQGHSA-N	449.898	3.634	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	408936101	GNVCKJITKUGGNW-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	408998273	PSJBBLHEOLULLG-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(Cl)cc1	409027692	DLTOCYDMLGTQGR-SRZZPIQSSA-N	448.759	3.953	50	40	IHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)o1	654523	GVUZNXLFKGWOQW-OCHFTUDZSA-N	438.447	3.770	50	40	IHGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	16310371	FMUXMZQYQIWBRS-HJHGFDQJSA-N	449.532	3.851	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCC(=O)OC	20195257	XTFIMZXWPBCQLN-WYMPLXKRSA-N	432.904	3.600	50	40	IHGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348216	IJYFNAXUBUQFOV-IBGZPJMESA-N	438.505	3.972	50	40	IHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	33637918	NPOHSSVSTLBAQC-NTUHNPAUSA-N	438.465	3.970	50	40	IHGB	
COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCl	35999855	JLMVEIXYSNRTOI-IBGZPJMESA-N	439.737	3.869	50	40	IHGB	
Cc1c(/C=N/NC(=O)COc2ccccc2I)c2ccccc2n1C	59249417	BGKRKIHHMIMLJV-SRZZPIQSSA-N	447.276	3.620	50	40	IHGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	408543242	OFICZZHLLUBPTC-FOKLQQMPSA-N	432.392	3.653	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1	2337951	NKOLHGXTFTZRIZ-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	aggregator
COc1ccc(/C(C)=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	9284053	KUWNDWIMWDMVPI-YZSQISJMSA-N	426.476	3.607	50	40	IHGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccc2ccccc2n1	12789315	SEMQFFATQFKZRA-UHFFFAOYSA-N	429.807	3.530	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c1	33659945	JSOZEDZAWCQDGF-LPYMAVHISA-N	425.286	3.962	50	40	IHGB	
O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1Cl	408848958	SZVRNBXVCRMFDO-UWVJOHFNSA-N	426.654	3.722	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	408974100	XETAEJSFGHBIGR-LGJNPRDNSA-N	426.879	3.653	50	40	IHGB	
COc1cc(Br)c(OCC(=O)N/N=C/c2ccc(C)o2)c(Br)c1	1435590	CRMXHADIFSRRED-CNHKJKLMSA-N	446.095	3.651	50	40	IHGB	
CCOC(=O)C1=C2S[C@H](c3cccs3)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccs1	2197273	CBSXUSHZSQLMDZ-UKRRQHHQSA-N	429.548	3.692	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC	18084386	OTRAMYHUEGRGIV-LZYBPNLTSA-N	430.464	3.646	50	40	IHGB	
CCCCCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851898	NFAYGIBGEPPGDX-REWPJTCUSA-N	431.540	3.619	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	58882686	CQCIEYKQMKMEOE-PKAZHMFMSA-N	429.520	3.872	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1	408783257	NELVBNQARPCEJX-CVKSISIWSA-N	431.492	3.850	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc([N+](=O)[O-])ccc1O	408875923	MKULPNJOXZLFMS-UKWGHVSLSA-N	430.760	3.886	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OC	408971764	KWYXEFWPDRNLHO-UFFVCSGVSA-N	433.258	3.985	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	58911884	QRSSUHKTPDSRTH-PMFZIYJTSA-N	432.524	3.820	50	40	IHGB	
Cc1cccc(OCCN2C(=O)/C(=N/NC(=O)COc3cccc(C)c3)c3ccccc32)c1	103041193	LMASIGIDOAKINM-AZPGRJICSA-N	443.503	3.628	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409201591	WPOSFYUWMPOOOX-QJKHOBJASA-N	427.888	3.648	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	726365	VAPXTBJYFZPJJT-ZVHZXABRSA-N	446.419	3.536	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2	8741270	IHAJCOGFEBQPOR-IBGZPJMESA-N	449.308	3.581	50	40	IHGB	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1C	12852231	RYNCITQBMLKLFF-UHFFFAOYSA-N	429.567	3.976	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccc(F)cc3)nc12	13758657	XEYKDASYGIYCKI-FOWTUZBSSA-N	444.422	3.751	50	40	IHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)Nc1cccc2ccccc12	16136789	PZLPSOWETAQGAW-WKULSOCRSA-N	446.551	3.601	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(I)ccc1Cl	824632	PCNOVCLWHNIPHD-CAOOACKPSA-N	429.601	3.617	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2cc(C)nc3c(OC)cccc23)c1	871150	GGCRKMQLXAUCJH-FSJBWODESA-N	425.510	3.811	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1OC	12275134	RFSWCKBQHVQKAG-HXOBKFHXSA-N	440.496	3.876	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1OC	36837401	JNCRCPHLRBLSLI-UHFFFAOYSA-N	448.523	3.759	50	40	IHGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408543688	SBUMVKGMXABYSK-MLPAPPSSSA-N	431.242	3.710	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Br)cc4Cl)[C@@H]13)[C@H]2Br	408683896	MKGZWWSQERGWQU-ZNOWBECESA-N	449.526	3.612	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(Cl)cc1	408783837	NOMGPEZAYZTJMN-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
COc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(Br)c2)cc1	408852907	JOTLJYHMRSYQEJ-XKZIYDEJSA-N	428.286	3.778	50	40	IHGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)cc1	408855521	DYMWXMRNBQJXRL-MSXFZWOLSA-N	434.452	3.955	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	409111850	DIBYSRJPAQWWQP-YZSQISJMSA-N	449.576	3.899	50	40	IHGB	
COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1	409207107	PFDZZWCBICDJLG-UWUFYVNFSA-N	445.519	3.931	50	40	IHGB	
Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1	9381805	OONVYDGMINBMMA-UHFFFAOYSA-N	444.582	3.782	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1	10039258	MCFQGBBZXKCDMU-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCOc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2)cc1OCC	12796487	SCYCBDHBASLTMX-UHFFFAOYSA-N	432.476	3.790	50	40	IHGB	
COc1cc(OC)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1	17150224	XFZQTTBKIACCCE-FBHDLOMBSA-N	433.258	3.985	50	40	IHGB	
CCCC/C(C)=N/NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1	19926344	KJBDWUAGBBDROM-PTGBLXJZSA-N	431.558	3.881	50	40	IHGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	34835090	PROFNPDJRAZIDI-BKUYFWCQSA-N	433.306	3.896	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1ccc(Br)cc1	58912562	BKUWNWQGPRHONR-OEAKJJBVSA-N	445.361	3.709	50	40	IHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1	59367085	GQLIBZYKRFURAH-BUVRLJJBSA-N	438.505	3.600	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	104181435	WFIKPRAJPQALSF-UHFFFAOYSA-N	444.282	3.887	50	40	IHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1F	108975818	HALCINOPPBSUFW-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(OC)c1	408569546	OMXGOZYVYNQWCH-WSDLNYQXSA-N	448.566	3.720	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(C(=O)O)cc1	409184900	PBDPATGTOKFKDO-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	4157195	OCYLPVMLIUPUFH-WHCZJHEKSA-N	427.136	3.586	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc(OC)c1OC	12489349	IAPANNXHJGQWKK-KRWDZBQOSA-N	438.871	3.974	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247098	DGLVTHYXQFSDRJ-FYWXSZBBSA-N	431.517	3.930	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	58884427	FZMHTHBYIHETQL-CVKSISIWSA-N	446.507	3.668	50	40	IHGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	59516241	PAWQNXWZNUMAEE-CVLFLDGLSA-N	431.492	3.602	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1O	408677131	PODATOAFKOADNU-LPYMAVHISA-N	432.318	3.918	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCC	408774158	BNLHOVOAYWGFIB-QPEQYQDCSA-N	428.270	3.520	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1	409050730	ZBPNBADCYBWSNG-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
COCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc12	409207048	ZMPMGXMLVBYMNN-CPNJWEJPSA-N	430.460	3.817	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O	409219135	JHRHYYPFWDTUOF-AWNIVKPZSA-N	434.279	3.802	50	40	IHGB	
O=C(CSc1nc2ccccc2s1)NNc1ncnc2c1cnn2-c1ccccc1	2280237	LMNOJNDFRPUXTI-UHFFFAOYSA-N	433.522	3.661	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2ccc(SC)cc2)ccc1I	9934860	PCNSDZPDOFJXAE-VCHYOVAHSA-N	426.279	3.786	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2OC)cc1)S(=O)(=O)c1ccccc1	19937032	GLJDRSSXISRCBG-XIEYBQDHSA-N	449.532	3.840	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OC)c1	27563624	AMZFNJVMJHGNDR-HMMYKYKNSA-N	434.492	3.977	50	40	IHGB	
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C(=O)O)cc2)N2NC=C(C#N)C2=N1	36558960	MIKWGJFIIPSOJR-OAQYLSRUSA-N	427.464	3.595	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1cc(Cl)ccc1Cl	58912280	HRCQGLDCZLWVKJ-KBKYJPHKSA-N	444.322	3.562	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccc(O)cc1	103041227	IDDIMMPQWLALTB-NJNXFGOHSA-N	435.867	3.605	50	40	IHGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1	408719094	DJFIOQCOGZDXDL-CAUNFOBBSA-N	432.567	3.603	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCC#N	408799287	HBPPFGZCXHRYJG-GZTJUZNOSA-N	440.297	3.626	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)c(O)c1	409390496	DJHHTXFJBVGSLR-UFWORHAWSA-N	442.107	3.998	50	40	IHGB	
COc1cc(C)c(/C=N/NC(=O)CNC(=O)COc2ccc3ccccc3c2)cc1C(C)C	2121926	ULOBPROFIMDUIG-CCVNUDIWSA-N	447.535	3.926	50	40	IHGB	
C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br	8856257	YWRJLPHBOXBCQE-DTVDJLOLSA-N	446.345	3.896	50	40	IHGB	
O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1cnc(Cl)c(Cl)c1	9284239	URIDUKVXIPWNFK-UHFFFAOYSA-N	446.290	3.921	50	40	IHGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3n2)c2cc(Br)ccc21	100494375	HIXWCDDMVUOZDM-CLCOLTQESA-N	435.281	3.664	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1	3145822	KRLXXQBYRYUNRG-VUTHCHCSSA-N	442.563	3.931	50	40	IHGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(CSc4ccc(C)cc4)c32)c2ccccc21	8442115	PMYOYMGHIBBIRG-XMMPIXPASA-N	443.532	3.749	50	40	IHGB	
CCn1c(NNC(=O)c2cccc(OCc3csc(C)n3)c2)nc2ccccc2c1=O	11163345	BFZORLZNSPKRSE-UHFFFAOYSA-N	435.509	3.517	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1Br	20550281	KNFHWKCKEDDIKP-SSDVNMTOSA-N	448.317	3.679	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OCC	20760888	BQPVXORFDVIXRX-WSDLNYQXSA-N	449.301	3.554	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	408771293	GNXMUJMJSHAIBO-JJIBRWJFSA-N	429.586	3.853	50	40	IHGB	
Cc1ccc(/C=C2/SC(=O)N(CCC(=O)NNC(=O)c3cccc(Cl)c3)C2=O)cc1	975212	UAUJIDBNCAJVHM-GZTJUZNOSA-N	443.912	3.536	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(I)cc1	2285211	NLGDLLQYFMAQRJ-WSDLNYQXSA-N	444.276	3.858	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2	8741269	IHAJCOGFEBQPOR-LJQANCHMSA-N	449.308	3.581	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC	12275289	QGWOBLKOAHJNTA-UZUQRXQVSA-N	440.496	3.876	50	40	IHGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc2c1CCCC2	12275958	GMTCAZIFJLFPQD-GXDHUFHOSA-N	426.494	3.976	50	40	IHGB	
O=[N+]([O-])c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2nnnc12	73336262	KQOYKXKVEYTOCS-UHFFFAOYSA-N	440.403	3.842	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1O	408811055	NIKKFMCISMPTLW-AAWHYMEISA-N	448.260	3.790	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	408978581	JFBQXUDRPRKJCN-HUXSYLCKSA-N	430.464	3.915	50	40	IHGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1	409022221	JWWYAKFBCCVRNK-WGARJPEWSA-N	429.432	3.811	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2ccccc2)c(C)c1	409146250	RUUBFKDIFPEIHU-ZVHZXABRSA-N	439.537	3.546	50	40	IHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)c1	409177885	JBEYJRDKHFVZTK-YDZHTSKRSA-N	437.408	3.804	50	40	IHGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409226244	QDFRZTWSFZZHQO-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC	409243599	TXRCZDYQTPKIGX-QNGOZBTKSA-N	436.508	3.683	50	40	IHGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(C)cc1	1888456	WFVDUAFFUWYSRB-SRIJWZPRSA-N	437.477	3.893	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccoc2C)c1O	8842978	OMGJMGSLFLFWOO-UBKPWBPPSA-N	432.068	3.591	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	12273748	OBLIRTDUTKKVTJ-IMGOXIFKSA-N	442.338	3.621	50	40	IHGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1ccc(I)cc1	16322109	QXHPQSXMZNYYOE-MKFNJMOCSA-N	425.295	3.707	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccccc1C(F)(F)F	19826501	AJIDSCZTLNIEPZ-LGJNPRDNSA-N	438.881	3.627	50	40	IHGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1ccc(O)cc1	22797796	BVEHLTHHROWVSN-SGWCAAJKSA-N	442.563	3.640	50	40	IHGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21	40137627	CECRHWVWZKJXQH-VYIQYICTSA-N	433.895	3.829	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	223154952	IJSDEIBZROSOAX-MYKKPKGFSA-N	446.341	3.962	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])o2)c1	1425104	PWCPIMBAGSTDFD-FSJBWODESA-N	437.408	3.553	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(OC)cc(OC)cc2OC)C(C#N)=C(N)O3)cc1	6196445	LYLLZKZUCTVPFG-LJQANCHMSA-N	448.479	3.719	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1COc2ccccc2O1	9019264	GPPTXVXBBLKQIE-QSLAWHRQSA-N	427.800	3.798	50	40	IHGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C	12629290	JMROPFMMDIPEIL-MZJWZYIUSA-N	440.931	3.987	50	40	IHGB	
COc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC	13941750	RANSFYDNMCWTRS-YDZHTSKRSA-N	433.892	3.625	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1nc2ccccc2nc1C	16265388	OJEWYCKEESJBBY-VULFUBBASA-N	427.464	3.685	50	40	IHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)cc1	409130151	LWOUVNNULIJGFD-VBYICHLGSA-N	427.570	3.777	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@H](C)CCC[C@H]3C)=C2C#N)cc1	409316268	LKEXUQZUFFUGJV-MDZRGWNJSA-N	427.570	3.947	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2	1431687	NWZSATVCGLNUSI-JOCHJYFZSA-N	435.439	3.938	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OC	9200846	HTKHHRHTFRMFMW-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
COc1ccc(-n2nc3ccc(NC(=S)NC(=O)CCCCl)cc3n2)cc1Cl	9906682	TVIFJTXKSVCNCR-UHFFFAOYSA-N	438.340	3.915	50	40	IHGB	
N#CC1=C(O)NC(=O)[C@H]([n+]2ccc(-c3ccncc3)cc2)[C@@H]1c1ccccc1C(F)(F)F	13136312	IBRYOUYRFLHPIA-WOJBJXKFSA-O	437.401	3.803	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC	409149025	WAPCBTATKDHSFP-QGZVFWFLSA-N	432.318	3.586	50	40	IHGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc([N+](=O)[O-])c1	409263655	NLWFBKMVFLYRFL-UDWIEESQSA-N	433.262	3.616	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1	840384	IIKSHPMIGJYXIB-VIFPVBQESA-N	432.101	3.984	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	4084396	CICYRDFUUOYRPE-UHFFFAOYSA-N	433.332	3.523	50	40	IHGB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc(C)c1Br	9581289	PINVYHJFBDEFNH-XGTBMDPHSA-N	443.135	3.575	50	40	IHGB	
COc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc(OC)c1OC	12489343	IAPANNXHJGQWKK-QGZVFWFLSA-N	438.871	3.974	50	40	IHGB	
O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1	14922488	YYDYTQJGAVBJRI-WGLQLPMYSA-N	435.455	3.519	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	28218030	YFEQHCNAHQIYAS-RGVLZGJSSA-N	434.246	3.695	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1	33675175	RDEHOBSSBXFGGF-WSDLNYQXSA-N	425.397	3.645	50	40	IHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	58913437	JCUVSVDITHMMEP-MFKUBSTISA-N	434.496	3.590	50	40	IHGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3nncn3C)cc1)C(O)=N2	103388366	OZPFLOIHIQAGNX-UHFFFAOYSA-N	434.525	3.967	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCC#N	408855054	CVFMJODLFHTCFQ-JJFYIABZSA-N	428.242	3.870	50	40	IHGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCC(=O)O	409210724	MEAOBUXKRMTSDQ-MLPAPPSSSA-N	433.214	3.893	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	409236910	HZKGTERGYWBFLD-XGHPXPSOSA-N	443.297	3.785	50	40	IHGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F	2317122	IMNPEBOFTBSPNK-LBPRGKRZSA-N	441.155	3.947	50	40	IHGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1	5860270	OKFLDWQTSJOGMG-HXUWFJFHSA-N	426.513	3.516	50	40	IHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl	12894512	WRMAEKQIQORFKU-GFCCVEGCSA-N	439.320	3.924	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)c(C)n1-c1ccc(Cl)cc1Cl	408879337	FFINWDHLSZDAGR-KBKYJPHKSA-N	444.322	3.562	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409024369	KLGZUBWDTZKVNJ-KEBDBYFISA-N	446.381	3.632	50	40	IHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNS(=O)(=O)c1ccc(Cl)cc1	2132542	KVELFTVEIMFHEN-UHFFFAOYSA-N	437.732	3.816	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(C)c1	8986582	CQJZMGOXLVYWQG-DEDYPNTBSA-N	448.548	3.904	50	40	IHGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9714389	CGXILWFGXGVUQV-UHFFFAOYSA-N	446.488	3.659	50	40	IHGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2)cc1OC	12629460	PHBITSZGKCNVFP-WPWMEQJKSA-N	433.508	3.712	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1ccccc1O	26964660	KBIOEFJDOCCALD-ZVHZXABRSA-N	427.420	3.917	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	58911752	ZAFQPYDTFSAPTQ-CCVNUDIWSA-N	442.441	3.879	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)ccc1OC	408607682	UICAMLBYUFXIGS-KRWDZBQOSA-N	431.949	3.602	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408771321	GYPGBMOUCFRZID-HAVVHWLPSA-N	431.558	3.515	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(OC)c(OC)cc1Cl)c1ccccc1	408980496	RKPUWCMXGCXTLG-YXUUZYBBSA-N	433.892	3.685	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)Nc1ccccc1C	409010378	CKRHDQPGFHIJCA-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2cccc(C)c2)cc1	409067076	JCLFCKHHLNABPG-OEAKJJBVSA-N	441.578	3.706	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2cccc(Cl)c2)cc1	409131016	JEOQOHCXLLUGHW-UHFFFAOYSA-N	435.933	3.590	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409240261	SCUORJCIQZRSRV-RHTHQAGFSA-N	448.548	3.526	50	40	IHGB	
Cc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c(Br)c1	2134911	YTCFODJWPAILDW-UHFFFAOYSA-N	449.345	3.795	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc12	8683773	CCVSLVRAPFHQHR-AWEZNQCLSA-N	444.582	3.782	50	40	IHGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(OCc3ccccc3)c2)CC(=O)N1	9110711	TXOJVMXCIMVESY-QGZVFWFLSA-N	438.505	3.519	50	40	IHGB	
Cc1cc(/C=N\NC(=O)c2ccncc2)c(C)n1-c1ccc(I)cc1	13801523	NLGDLLQYFMAQRJ-UUYOSTAYSA-N	444.276	3.858	50	40	IHGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2C)cc1	58913368	SPYKFJYVMIHQRA-MFKUBSTISA-N	434.496	3.590	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OC	408549901	BFAPJGIQLDHBMM-NTUHNPAUSA-N	438.465	3.970	50	40	IHGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408732405	QXIZEXRAPDSGCS-LGJNPRDNSA-N	444.516	3.796	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccccc1C(=O)O	409022112	JPDKLXHXYBILFQ-VYYCAZPPSA-N	442.475	3.870	50	40	IHGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	9259308	LGEUWQADGYLLEJ-SSDVNMTOSA-N	443.550	3.869	50	40	IHGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1	16194155	JYQRKJNHOQKFMK-FSJBWODESA-N	445.313	3.644	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1	19949592	SLTLOEIQVBUAEU-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	20209042	NEJXHQRFIMBKFB-CVKSISIWSA-N	449.576	3.978	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1	33761463	ATZHCPURBSSERF-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCOC(=O)C1=C(Nc2cccc3ccccc23)OC/C1=N/NC(=O)c1ccccc1O	104288528	GMMMRLPRVQDGQS-XHPQRKPJSA-N	431.448	3.548	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1)NCCc1ccccc1	408774204	AYZZTAXMGLXRGC-WPWMEQJKSA-N	447.560	3.667	50	40	IHGB	
Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)C(C)C)c1	409165044	RQHPXGQRRDNPCV-DHNPSKQRSA-N	447.491	3.858	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2cccc(F)c2)c1O	9846736	WEALZVHMIPDMNW-FBCYGCLPSA-N	446.070	3.829	50	40	IHGB	
O=C(CSc1nc2ccc(NC(=O)CCl)cc2s1)NCCOc1ccccc1	59474774	DFHKKJWCHCFBIX-UHFFFAOYSA-N	435.958	3.761	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1	408707153	HIGKSGAIMRCDJW-SSDVNMTOSA-N	435.709	3.598	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1O	408960017	BTNKGXFAYNGMBN-AWQFTUOYSA-N	448.229	3.972	50	40	IHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)OC)c(OCC)c3)cc2c1	409183967	HDRJSRSPADJCFG-CFRMEGHHSA-N	440.452	3.546	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409267679	VRVFGOLZAYEJEB-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1	409324574	TYLJRMVESOWDQH-GOSISDBHSA-N	449.532	3.801	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OCC	409324580	UGMWXBIRZJOPMF-FMCGGJTJSA-N	432.860	3.531	50	40	IHGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@H]1c1ccc(OC)cc1	639192	YIKDONVKZLTBFM-MOPGFXCFSA-N	426.469	3.505	50	40	IHGB	
Cc1ccc(C(=O)N/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NN)cc1	799676	GNXSJPZMPRCDSV-XQNSMLJCSA-N	437.503	3.609	50	40	IHGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1	803790	AFBTWOXPZJLSNI-QFBILLFUSA-N	437.450	3.625	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	1215070	WIWMJIADNXMTQJ-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
Cc1cc2ccccn2c1C(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	3204362	SSBKNPUPTLVJFL-UHFFFAOYSA-N	439.364	3.947	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	8814620	ZNQWKCWQQOXJLQ-PGGKNCGUSA-N	441.827	3.589	50	40	IHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	16479463	JXHQQVCGQRHOKT-BUVRLJJBSA-N	441.940	3.681	50	40	IHGB	
Cc1cc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)c(C)cc1Br	102644842	FWRIMMHLVVHWPA-MTIYOPRHSA-N	443.135	3.575	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	105051961	IVCYUWTVZNSGKE-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(Br)cc1C	408706530	AWTPUVIKGCSJSF-LSHDLFTRSA-N	437.725	3.741	50	40	IHGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(Br)c1	408762493	LCQZTYUQDNGNNL-WMZJFQQLSA-N	433.174	3.517	50	40	IHGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1Br	1231695	WJWXGWRHLHHDFW-IBGZPJMESA-N	430.302	3.750	50	40	IHGB	
Cc1ccc(SCc2n[nH]c3c2[C@]2(C(=O)Nc4ccc(Cl)cc42)C(C#N)=C(N)O3)cc1	8442122	WSEJFFQSIVNZRP-JOCHJYFZSA-N	449.923	3.988	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C(/C)c2ccc(C)cc2)c(I)c1	9948548	SPOHQFJTVJCHOF-MOSHPQCFSA-N	438.265	3.527	50	40	IHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@H]1CCC[C@@H](C(F)(F)F)C1	26293130	AYANVVFGOIFSDS-KGLIPLIRSA-N	425.407	3.924	50	40	IHGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)cc1	223152912	XIVJGTAJFHSDCR-YSMPRRRNSA-N	448.523	3.899	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc1	919010	WEXPJYFUQCRYQO-CIAFOILYSA-N	449.305	3.733	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1OC	9846708	VEDQFDRQQOKBSS-ZVBGSRNCSA-N	441.709	3.957	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)c2ccc(F)cc2)c1O	10059606	GKNFMTQWCVDNGW-GXHLCREISA-N	446.070	3.829	50	40	IHGB	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1C	12998046	LCWSXVNCUXXIJY-UHFFFAOYSA-N	447.557	3.735	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OCC)c(OC)c2)cc1	20197931	VQAUXPHNHUHDHE-ZMOGYAJESA-N	448.903	3.843	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	58913652	ZTFAVTMGDQWFPY-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccco1	1001428	GAVAEVFCRBDLDG-SRZZPIQSSA-N	431.905	3.532	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1OCc1ccc(F)cc1	2630302	UEAVIJWUOCXOTC-LBWPQLDNSA-N	436.439	3.703	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1O	8427134	NPDXQCLBLOOVNY-SKGPFOJCSA-N	435.505	3.774	50	40	IHGB	
Cc1cc(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O	9289341	NOQCOEMGZIMGPV-DJKKODMXSA-N	426.108	3.918	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	10232999	DQQNTLFWYDBSTJ-FBMGVBCBSA-N	444.457	3.560	50	40	IHGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1O	14199965	CGIAKVACJVGTGW-NYYWCZLTSA-N	429.237	3.954	50	40	IHGB	
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1	34966702	ZTDDHMMCSCVLDK-UHFFFAOYSA-N	432.716	3.605	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C	408708964	VUHDHJBDZZQYGF-FSJBWODESA-N	429.318	3.562	50	40	IHGB	
C[C@H](C(=O)N/N=C/c1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028682	QCDHEHBNNARDAM-ZDSQJECRSA-N	437.521	3.784	50	40	IHGB	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NNC(=O)Cc1ccccc1	924752	GHENWLWBDVONTK-UHFFFAOYSA-N	446.532	3.674	50	40	IHGB	
Cc1cc(Br)c(NCC(=O)N/N=C/c2ccccc2O)c(Br)c1	1427530	DZSYHMPEGZUSDX-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12	2206585	YWMNRXTWBLXLNF-DEOSSOPVSA-N	449.894	3.686	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nnc(C)s2)ccc1OCc1ccccc1C	8722079	BIBJVJRNIRQKIS-SSDVNMTOSA-N	442.566	3.985	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1c[nH]c2ccccc12	12816005	DWTCDIKSYWKHRT-JTQLQIEISA-N	436.693	3.812	50	40	IHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)CC1	20240536	IXXIYJLFWLCYDY-MTDXEUNCSA-N	446.526	3.920	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl	58913858	MPBJFSWHQZTJQA-FSJBWODESA-N	439.859	3.745	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1Oc1ccc([N+](=O)[O-])cn1	408966399	LJZSDOGXGCZVFC-OPEKNORGSA-N	435.371	3.565	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2)cc1	408982526	YJIWMNZVFZVOCX-NJRDNMGOSA-N	439.512	3.694	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1-n1cccc1	409101657	QFPBGEYHXAIAFA-RGVLZGJSSA-N	429.230	3.618	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c2ccccc21	1742053	NSPDOASMFFHEMM-CPNJWEJPSA-N	430.508	3.566	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cn3cnc4ccccc43)c2C)cc1	3421792	PIIHASXCSXPMSM-MZJWZYIUSA-N	443.507	3.771	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Cl	20213152	PJBCAIGATOVTME-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1	20478618	NHGOPJUOAZQTJR-IFRROFPPSA-N	445.086	3.619	50	40	IHGB	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	40146080	VIOMSFHCADRXOZ-SAPNQHFASA-N	430.464	3.993	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I	408968756	YRIZEPJUNWUEEN-SSDVNMTOSA-N	449.223	3.631	50	40	IHGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1	408999282	QMBPCLUTBWDASZ-PKTZIBPZSA-N	431.492	3.628	50	40	IHGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC	409125658	AITJOPWLRYVUKC-QFIPXVFZSA-N	437.540	3.643	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br	9203661	OWHBDGUZEAZHSN-GIJQJNRQSA-N	441.079	3.813	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)cc1OC	12275287	QGWOBLKOAHJNTA-GAJHUEQPSA-N	440.496	3.876	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccc(O)cc1	40137630	IDDIMMPQWLALTB-DAFNUICNSA-N	435.867	3.605	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC	58884793	QXRIAFALZHCXFP-YDZHTSKRSA-N	433.892	3.625	50	40	IHGB	
O=C(COc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	59148483	SCCRGURTDMNVRZ-LPYMAVHISA-N	436.380	3.824	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC#N)c(OC)c2)cc1	408744364	FDTFZMYAPGWXDQ-ZROIWOOFSA-N	442.269	3.914	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC(=O)O	4210236	LDCZWUXOLSBJES-VGOFMYFVSA-N	445.269	3.775	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)c1	8426840	ABEKGQSGMMEDEN-ODCIPOBUSA-N	430.675	3.753	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br	9311322	LKHMGHLYXHAUPM-OQLLNIDSSA-N	429.270	3.855	50	40	IHGB	
COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2)cc(OC)c1OC	10059616	JVTZXJAKSDCHRP-MFKUBSTISA-N	434.448	3.696	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10118620	VBZBQUPZVRHJJU-UDWIEESQSA-N	438.265	3.853	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	19952772	ZCURGLLFUGPYHC-MFKUBSTISA-N	436.537	3.551	50	40	IHGB	
O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1	83327124	HRYLPPPONNYTHJ-FBHDLOMBSA-N	429.226	3.877	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1c(Cl)cccc1Cl	408609642	KUNHIRZFFZVLOZ-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21	1781658	HIVSERCZBDVHSW-CPNJWEJPSA-N	430.508	3.566	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1	8449296	UMCYFTQPHQBNGS-MNNSYISCSA-N	427.136	3.586	50	40	IHGB	
Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccc(Cl)cc4)CC3)c2c1C	22393581	IBCQXGNYNNTPCV-UHFFFAOYSA-N	443.960	3.639	50	40	IHGB	
NC(=O)N/N=C/c1cn(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc12	26840953	JJHXMCADOGVJBI-WFMQBCDOSA-N	425.492	3.813	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	33533946	NBYQJDCDIBVHOK-UCQKPKSFSA-N	434.408	3.775	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(C)ccc3OC)c2C)cc1	58913494	OUKWWADTWHQGAD-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
CCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCC)cc2)cc1	253570914	OGEOVHHLKCODGQ-UHFFFAOYSA-N	430.649	3.581	50	40	IHGB	
Cc1ccccc1CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(Cl)cc1	409062809	BBJNBHJEVXFVCE-YDZHTSKRSA-N	445.928	3.583	50	40	IHGB	
O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1ccccc1Cl	8685733	MGRNIBLYEIWTCD-UHFFFAOYSA-N	437.823	3.999	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	9312376	MIEGBQNTCUKXFA-WSDLNYQXSA-N	438.513	3.756	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(I)c1	408526208	AZZCWIGHBQHAMU-LSFURLLWSA-N	447.198	3.872	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1O[C@H](C)C(=O)O	409230828	GCKHFJUVSDDHQR-NFXIUMSZSA-N	435.480	3.719	50	40	IHGB	
N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)[C@H](C#N)C12CCCCC2	652704	TXRGIHKXYQWHIL-INIZCTEOSA-N	433.489	3.664	50	40	IHGB	biogenic
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	409257887	UBSMTRXMTPICPI-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C1\C(=O)Nc2ccc(Cl)cc21	2338838	NYIHXYGWWAZODU-UHFFFAOYSA-N	447.322	3.756	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1	12857142	JNEDSRAFLIVIRO-KRWDZBQOSA-N	437.279	3.738	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1	59960140	QXXNPBMOJPFDMI-YDZHTSKRSA-N	439.313	3.945	50	40	IHGB	
COc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	408995509	JTJWDJYNKNSGSA-OEAKJJBVSA-N	442.541	3.977	50	40	IHGB	
N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(=O)Nc1cccnc1	409086164	GAXSZLUHXQYUPG-YRNVUSSQSA-N	428.271	3.924	50	40	IHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccccc1O	409219109	IZVCCHGFUWZTFD-FMCGGJTJSA-N	439.811	3.937	50	40	IHGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1	690864	PYIXEEMIEPILLW-CYFREDJKSA-N	444.510	3.567	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	1476207	WHIRVRUBGDETFA-NRFANRHFSA-N	447.878	3.805	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2nc(Nc4ccccc4)sc32)cc1	15082946	GLGZAWHPOZLYPQ-INIZCTEOSA-N	443.488	3.955	50	40	IHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	38178554	BOASRMIIYSFYLJ-LSHDLFTRSA-N	443.257	3.778	50	40	IHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	408967189	QJDGIXDEZBITSM-UYRXBGFRSA-N	434.521	3.596	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc1	409057467	QMUHNHVZHPBWPG-ZMFRSBBQSA-N	449.898	3.537	50	40	IHGB	
Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NNC(=O)c4ccccc4)cc3)ccc12	2618068	HRNRRLWEOFKRDX-UHFFFAOYSA-N	428.444	3.755	50	40	IHGB	
Cc1c(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)oc2ccccc12	13021435	PFKBJQHWFSQXTN-UHFFFAOYSA-N	425.441	3.991	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(C)c1	25964075	ZFYQZZLLAMRNRV-UHFFFAOYSA-N	428.492	3.693	50	40	IHGB	
CCOC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCl	35945825	QPEBIYOSEBCKQI-IBGZPJMESA-N	439.737	3.869	50	40	IHGB	
COc1cc(Br)cc2cc(C(=O)NNC(=S)NCc3ccccc3)oc12	408585725	ITDWQYVXOCQTOG-UHFFFAOYSA-N	434.315	3.513	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1	409136384	UFSLMGJJBWDSEK-LFVJCYFKSA-N	437.521	3.593	50	40	IHGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc1	409263165	ARPZBPJTYKRARV-YDZHTSKRSA-N	433.892	3.712	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2	2215058	RNLXEKPIFXYHMH-SFHVURJKSA-N	438.281	3.779	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Nc1ccc(I)cc1C	2748521	SLQJBQHXTDOQGY-AYPRBGQRSA-N	437.281	3.559	50	40	IHGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	4178180	XDBAVFUIUFITDI-MKYUKRCKSA-N	426.520	3.852	50	40	IHGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1nn(-c2ccc(F)cc2)c2c1CCCCC2	14332238	FCAMZVAJUBFCRM-UHFFFAOYSA-N	431.471	3.836	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I	408676080	DUNDVQGZMHHQNM-FYJGNVAPSA-N	449.292	3.664	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1)C(=O)NC1CCCC1	408708015	NHSLSQJTTQSMMI-LPYMAVHISA-N	429.318	3.702	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1C(=O)O	408994629	GVEUXAYYLYDYHN-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)=O)c(OC)c1	59291909	DQQRQJCQLKVWTP-RIYZIHGNSA-N	445.269	3.937	50	40	IHGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCC(N)=O	408581216	VCUGXBWUSPSVDY-VIZOYTHASA-N	448.260	3.537	50	40	IHGB	
CC(C)=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1	408787087	RAJLKXSYCJCQBN-UHFFFAOYSA-N	427.448	3.721	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3c4c(cc(C)c(C)c41)[C@@H](C)CC3(C)C)C(C#N)=C(N)O2	1461543	VORAVIWEEKFZIF-VDBVYFBLSA-N	431.492	3.570	50	40	IHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccn2C)cc1	2096390	NOYQNAYACCDZLR-BLJRLIBASA-N	449.942	3.666	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccccc1	8686457	OQMKAEQDDXZIKI-UWOWIQHYSA-N	436.497	3.781	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccco1	8825061	TVYTUHXSRYBNMB-FSJBWODESA-N	428.828	3.690	50	40	IHGB	
O=C(NNC(=O)c1cc2ccccc2s1)c1ccc(CS(=O)(=O)c2ccccc2)o1	12759627	XXVRERKQKUZODM-UHFFFAOYSA-N	440.502	3.543	50	40	IHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	19926290	GLDSUMKOBXDVDS-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccccc2Br)c1	20760526	YQSZIHWRZPWNCW-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408970870	LMFBYNOJVWXTFU-SYOQMXFQSA-N	439.556	3.844	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	408996631	JLWOYIJZAHGDEK-AFUMVMLFSA-N	431.920	3.684	50	40	IHGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)NC2CCCC2)cc1OC	409192585	CLCGMNLOARBNOL-MDWZMJQESA-N	440.281	3.664	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc1	1089018	LGARIVGOYFJRTR-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	6168664	LFTGUFATVIFGDV-SXGWCWSVSA-N	436.464	3.810	50	40	IHGB	
COc1ccc(CCNC(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)cc1OC	8384940	QKVJGTNRBPVIQY-HBGVWJBISA-N	438.362	3.521	50	40	IHGB	
O=C(CCc1ccccc1)NNC(=O)COc1ccc2ccccc2c1Br	8398675	RCEMURFSESAWDH-UHFFFAOYSA-N	427.298	3.761	50	40	IHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	12276894	QCKHDZXRWFOIEB-KRWDZBQOSA-N	436.493	3.868	50	40	IHGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	19926292	AUOFCWVWSWLJNV-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c1OC	408883923	VFZYGGUXRUJODT-JLHYYAGUSA-N	434.233	3.854	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc(Br)c1O	37020476	WAIWSBKACOUTPL-OCKHKDLRSA-N	442.107	3.619	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Br)cc1	58911573	XGIMQNRZKYILEG-YDZHTSKRSA-N	445.361	3.756	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1O	408817379	XQCXYVQNXWADFB-WDZFZDKYSA-N	438.196	3.690	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl	408941731	QJUIEICAAJNZQI-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	979671	NKPOXVGNFSDXBY-AWQFTUOYSA-N	427.682	3.892	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc2ccccc2o1	9140627	PHZKCSRZEIRIIK-XQNSMLJCSA-N	425.510	3.761	50	40	IHGB	
CCOC(=O)N1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)CC1	12562570	CGECVZOMAQQYGF-UHFFFAOYSA-N	442.379	3.883	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	33727548	IWSMBYGFAMZXJH-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	59333919	WLMIXUSEAGVHCS-SXGWCWSVSA-N	429.270	3.721	50	40	IHGB	
COc1cccc(CC(=O)N/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	408544340	VNDJEJPLXFPUKP-MXAYSNPKSA-N	431.448	3.682	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2Cl)C(C)C)cc1	408752248	HBGWBGNWHKRHJO-NMONLQQWSA-N	442.368	3.755	50	40	IHGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(C)C)c(OC)c1	408912189	PIDXNKPGHBCJPI-PXMCARDJSA-N	441.528	3.538	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1C	4046078	JLNQICVXYLBYEA-BYNSBNAKSA-N	444.167	3.595	50	40	IHGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2	8568306	PTPVDTBPUUNSQQ-FQEVSTJZSA-N	430.464	3.808	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1	13424506	RWGPGGDNMXUYSR-AQTBWJFISA-N	435.505	3.921	50	40	IHGB	
O=C(Cc1ccc(F)cc1)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21	33014863	NMVUARQSALMXTE-XMHGGMMESA-N	449.869	3.871	50	40	IHGB	
CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	408731166	KXHMMLASVSPMRI-YDZHTSKRSA-N	433.493	4.106	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408792079	HKWQXHVHPMMJMF-RIYZIHGNSA-N	430.844	3.542	50	40	IHGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(O)c(I)c1	408904373	ILPFZULDQLOCOM-ZDLGFXPLSA-N	425.226	3.551	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1O[C@H](C)C(=O)O	409017157	FCLWMXIKQYWWHT-NFXIUMSZSA-N	435.480	3.719	50	40	IHGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl	409138825	INWBYNSICFRURF-NRFANRHFSA-N	439.943	3.735	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)c(Br)c1O	409191705	LCGSDUFEYYHOAK-POHAHGRESA-N	444.123	3.892	50	40	IHGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(C(C)C)cc1	12289618	IVRQCWYCEKRPSU-UHFFFAOYSA-N	431.920	3.717	50	40	IHGB	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)/C(O)=C/C(=O)c1ccccc1	100930523	RLTWFNJKCWZNDR-JLPGSUDCSA-N	437.455	3.988	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(Cl)ccc1C	408708024	NIRZLUHHBUFKJM-FOKLQQMPSA-N	449.736	3.907	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	408905958	BKHPJUMPVHWIKL-HKOYGPOVSA-N	429.586	3.929	50	40	IHGB	
O=C(N/N=C/c1ccccc1N1CCOCC1)c1cc2cc(Br)ccc2o1	408951665	UVBJPDPYUPLUPF-LPYMAVHISA-N	428.286	3.796	50	40	IHGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(C)c1	408964580	DRUFQTSHIPDUBW-CFRMEGHHSA-N	439.541	3.514	50	40	IHGB	
CCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(O)c2ccccc21	2227614	HOGHPEWOXJEQEC-MFKUBSTISA-N	437.496	3.766	50	40	IHGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1OC[C@H]1CCCO1	12932888	RZLWFJGEBCKRKI-HXUWFJFHSA-N	446.503	3.751	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCC(=O)O	409179978	RGFRTDLXCJROSU-WYMPLXKRSA-N	426.856	3.658	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1	409184558	LZZIFXRPPOTSSG-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br	722445	AFGIQLMWHJVXFU-UHFFFAOYSA-N	432.101	3.904	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1	1252440	YGEHNFHFYVWIQM-YDZHTSKRSA-N	439.541	3.533	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2cccc(C)c2)cc1	16309514	FJAAYMUHHCDMAE-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OCC	33341532	RREIKABHPLKKKF-UDWIEESQSA-N	438.265	3.853	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCCOc3ccccc3)c3ccccc32)cc1	46085153	MMJFULUDQAGNOO-FVDSYPCUSA-N	443.503	3.710	50	40	IHGB	
COC(=O)N/N=C(/C)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	104295979	CNNVOWBKVGCQGM-XWVJVMHKSA-N	437.496	3.540	50	40	IHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)n1	408980772	XIFLNEYZHBQKRC-NYYWCZLTSA-N	425.080	3.978	50	40	IHGB	
C[C@@]12CC[C@@H]3[C@H](C(=O)C[C@]4(C)[C@@H]3CC[C@]4(O)C(=O)CBr)[C@@]1(C)CC[C@H](O)C2	627260076	JLZAWPXFXHUIRQ-YNAGOCNWSA-N	441.406	3.654	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	818389	ODUQNCRILHAWPU-HNAYVOBHSA-N	433.863	3.611	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC	946970	QIYSRVQKDFOPHY-QQFZQELXSA-N	439.537	3.925	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c(C)c1	8427652	QRUDAZXIICQKFD-MNNSYISCSA-N	427.136	3.586	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nc3ccccc3c2=O)cc1	9428638	LZHRSJVRBDMYHQ-MFKUBSTISA-N	448.504	3.620	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	16292550	JAPJRJHRILYUPS-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccc(C)cc3)c3ccccc32)cc1	46084816	XNBUZPBUILVCAW-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408868927	QRDJUVQMHHCIMU-RQZCQDPDSA-N	440.883	3.601	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1	409025559	SFQBYDGRTAQEHG-PCLIKHOPSA-N	439.512	3.734	50	40	IHGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1	672103	SNHZOCYGFMEAID-SRZZPIQSSA-N	434.290	3.579	50	40	IHGB	
O=C(NNC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1	674513	UNYRTSBHCGOTHI-UHFFFAOYSA-N	434.290	3.636	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)c(OC)c1	2261694	DVBLAQCKYGBNFR-QHCPKHFHSA-N	443.503	3.635	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	3335125	RZHIJTBHDQCSJR-UVHMKAGCSA-N	446.507	3.797	50	40	IHGB	
C[C@@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1	9062478	AYQRISORCMOOSL-SNVBAGLBSA-N	431.861	3.931	50	40	IHGB	
C[C@H]1CC2(CCCC2)N2C(=O)[C@@]3(C(C#N)=C(N)OC4=C3C(=O)CCC4)c3cc(F)cc1c32	14162370	UXVMDIMATKCTOT-ZJWNCGCPSA-N	433.483	3.961	50	40	IHGB	
COc1cccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	818366	QSGWACREVLMVCT-DNVCBOLYSA-N	433.863	3.611	50	40	IHGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1I	1434048	GORGHMUDOKRCIB-GIJQJNRQSA-N	437.262	3.675	50	40	IHGB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2)cc1	19640329	YMWWBQGSRXTOFI-JWGURIENSA-N	444.466	3.794	50	40	IHGB	
O=C(N/N=C\c1cccn1-c1ccc(I)cc1)c1ccccc1O	33334244	RBPDLNLSVVBAGL-NDENLUEZSA-N	431.233	3.551	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2oc(Br)cc2C)cc1OC	40144611	WEHNVDKUOIOJRJ-UHFFFAOYSA-N	425.279	3.613	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408744648	GHXSMSUGLJGGSW-ZROIWOOFSA-N	445.269	3.555	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1O	408978770	JYPIHKMGEUNSDP-AZVXTCMLSA-N	431.492	3.802	50	40	IHGB	
COCCN1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O	409139213	BPCFWUPIIKRZDR-GOSISDBHSA-N	430.346	3.832	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2)cc1	3248451	VBWAEUDDBXUNFL-QGZVFWFLSA-N	425.485	3.935	50	40	IHGB	
COc1ccc(CON/C=N/C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1	8781496	PGKKJEIQJZTJKP-UHFFFAOYSA-N	431.802	3.573	50	40	IHGB	
C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(F)ccc1O	9126191	DPZDUELTPLXTGF-CIAFOILYSA-N	433.486	3.548	50	40	IHGB	
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1	9381774	YVTHWUINUKBBGB-ZDUSSCGKSA-N	448.545	3.755	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccc(Cl)cc4)c(=O)c23)C1	9970885	YJOBVACBSWDLKJ-CXQCRDLUSA-N	428.945	3.948	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1OC	59459324	VTCRTHUUVDIAFO-FSJBWODESA-N	447.329	3.874	50	40	IHGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc([N+](=O)[O-])cc1	59459327	OCIKADJZGJFKEP-SRZZPIQSSA-N	432.274	3.765	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1	59506944	CNQCKTNGNJUJEW-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1	9561748	PGLJFKADTJGOEO-KOEQRZSOSA-N	426.480	3.551	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1	10118450	ADYBUIIRZWDXAT-CAOOACKPSA-N	429.601	3.617	50	40	IHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccco2)cc1OC	13371718	HQDQHELMYULSEQ-ILEHTTPLSA-N	433.464	3.608	50	40	IHGB	
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)C(C)C)cc1	33029178	IVSFICGFBDQQHB-UHFFFAOYSA-N	431.558	3.510	50	40	IHGB	
COc1cc(C(=O)N(NC(C)=O)c2nc3c(Cl)cccc3s2)cc(OC)c1OC	36358604	BNIIQGWBZZEANY-UHFFFAOYSA-N	435.889	3.673	50	40	IHGB	
C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	226393778	UNNNFTAAKHFUGN-XAANIQHJSA-N	427.136	3.526	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC(=O)OCC	408772272	NJGNQSJABOAVKE-SXGWCWSVSA-N	435.318	3.551	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	408972920	WZLMTGAJSBMXFG-UFFVCSGVSA-N	433.258	3.985	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC	409310672	CFKVEPVHVZHQSN-OYKKKHCWSA-N	430.888	3.922	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O	2428979	JSLBUTBXYSMLOS-ACCUITESSA-N	440.253	3.719	50	40	IHGB	
COc1ccccc1OCCn1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	6177709	QXBXPSWFUJKRPH-HSZRJFAPSA-N	441.491	3.979	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	20209121	ZTEZISDPTUHNPU-HZHRSRAPSA-N	431.558	3.515	50	40	IHGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)CC1	20213675	BYZKKDUUHYTMAC-UHFFFAOYSA-N	442.585	3.985	50	40	IHGB	
CCOC(=O)C(=O)CC(=O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1	102946977	QBIOHOVAXBAEJE-OLZOCXBDSA-N	440.515	3.631	50	40	IHGB	
COc1ccc(C(C)=NNC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc1	254703808	PYNGSKNYWLWOKG-UHFFFAOYSA-N	427.302	3.857	50	40	IHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408788606	DVDLVMOQSDTMLF-LFIBNONCSA-N	439.265	3.793	50	40	IHGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(Cl)cc3F)cs2)cc1	12800053	YJJYTGXPSAFENL-UHFFFAOYSA-N	439.921	3.788	50	40	IHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1	13388015	XNPPZFGZTNUFOI-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C/C(C)=N/NC(=O)c1cc2ccccc2cc1O	101537081	YZMDNAATZDLUMQ-ZMOGYAJESA-N	436.424	3.597	50	40	IHGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1	408759414	DPHQGJXZVOMPCY-DJKKODMXSA-N	440.091	3.901	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004428	CVFJDPCGQLKVRC-FSJBWODESA-N	449.294	3.904	50	40	IHGB	
COc1cc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)ccc1O	1086749	MFJQDTLSAQRNFD-YDZHTSKRSA-N	446.345	3.526	50	40	IHGB	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccc(I)c1)Nc1ccccc12	8926155	ODZBWXUVEIIPTK-QGZVFWFLSA-N	437.244	3.750	50	40	IHGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(COc2ccccc2)o1	12784019	FIERFPSHICTVHD-UHFFFAOYSA-N	441.292	3.789	50	40	IHGB	
O=C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc2ccccc2o1	16545254	RRCPYXZICUJKBB-QBFSEMIESA-N	426.479	3.737	50	40	IHGB	
C/C(=N\NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1cc([N+](=O)[O-])cs1	8402415	DZGKPVFSTJDHRU-TXAOUAOASA-N	434.477	3.968	50	40	IHGB	
N#CC(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1	9057271	OUVCGYJJKRCJGJ-QFIPXVFZSA-N	434.455	3.736	50	40	IHGB	
O=C(NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1cccc(C(F)(F)F)c1	23109476	YQBJLMCGHQKVOW-UHFFFAOYSA-N	449.816	3.644	50	40	IHGB	
COC(=O)COc1ccccc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	32192942	RXCCHGHOZARGIK-UFFVCSGVSA-N	431.242	3.511	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	33621145	OWRMTZUDONSGQL-VIFPVBQESA-N	429.285	3.687	50	40	IHGB	
COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1I	95611992	YYTIYKMCILAGTH-UHFFFAOYSA-N	434.213	3.939	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OCC(=O)OC(C)C	408600236	AMWAJNJJSHQPIV-JJFYIABZSA-N	449.301	3.552	50	40	IHGB	
C=CCc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(OC)c1OCC(=O)O	408850022	CZKQBVAOSMWIHF-IUXPMGMMSA-N	442.475	3.896	50	40	IHGB	
Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)C1CCCCC1	674319	MICGRQHRZYKNHO-UHFFFAOYSA-N	448.155	3.627	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O	2397777	JSROOHJPYZLMHC-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
N#Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1	3251341	PGATWNNUBKUFSK-ZVHZXABRSA-N	438.896	3.776	50	40	IHGB	
O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NNC(=O)c1ccccc1	3311874	RKJYLRJEFCACBV-UHFFFAOYSA-N	442.393	3.990	50	40	IHGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1	9308741	CQKXVEIJWWHNLA-LJQANCHMSA-N	430.464	3.870	50	40	IHGB	
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1O	16137134	UGOCDZXLOBNAJS-JJIBRWJFSA-N	437.521	3.512	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1	59333916	XYDNVFIHZMLZCW-CHHVJCJISA-N	429.270	3.752	50	40	IHGB	
CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccc(Br)cc1	226328958	WAVHYUNOHPDNIB-UHFFFAOYSA-N	444.123	3.793	50	40	IHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCC(=O)OC	408810777	KLTIATNMDWBAKD-QFEZKATASA-N	436.464	3.876	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(I)c1OC	408884928	WAFVXQKLCLHOOD-ULBYWEGOSA-N	442.297	3.585	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1C#N	409063056	GEBAYRXOLZKTCU-UVHMKAGCSA-N	445.523	3.653	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409172138	IJJJEGUVQODZKJ-IYAOEYEUSA-N	431.467	3.908	50	40	IHGB	
C=CCc1cccc(/C=N/NC(=O)CNc2ccc(I)c(C)c2)c1O	1081848	RGTUPTZKLZWQCM-SSDVNMTOSA-N	449.292	3.596	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1	3193995	KSCCOOFDMDUAMV-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)Nc3ccccc3)c3ccccc32)cc1	15776819	ZHKOWYKUNVPSPZ-QYQHSDTDSA-N	427.464	3.506	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2cccnc2)cc1	17095253	ICFYTSRUNJBKGV-FSJBWODESA-N	427.258	3.843	50	40	IHGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	59444682	QADDPGYLRKFZCW-YZSQISJMSA-N	429.476	3.919	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	59500459	QGYMGCJFZPLZRK-IWIPYMOSSA-N	433.420	3.977	50	40	IHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(OC)cc4OC)cc3C2)cc1	408733158	FIUJNZNGWOVLFN-VULFUBBASA-N	431.492	3.997	50	40	IHGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408848898	WWDVCFKNPJKARV-FBHDLOMBSA-N	431.242	3.511	50	40	IHGB	
CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2ccncc2)cc1[N+](=O)[O-]	409120202	SJNWSDCHSXRYGY-QRVIBDJDSA-N	435.465	3.863	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1	409233466	SIMVHLPQPKRJGF-WSDLNYQXSA-N	442.269	3.711	50	40	IHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3O)o2)ccc1Cl	409391018	GWXSLMKXNOPCCW-FOKLQQMPSA-N	428.828	3.865	50	40	IHGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1	1903645	QFEXCWPIMSQYML-WSDLNYQXSA-N	436.530	3.769	50	40	IHGB	
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C(=O)O)cc2)N2NC=C(C#N)C2=N1	36558961	MIKWGJFIIPSOJR-NRFANRHFSA-N	427.464	3.595	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccccc1	408763841	KQDGECXDPCADEE-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c1O	2415356	CUUFFQDBYKKUMC-FSJBWODESA-N	441.944	3.812	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O	2753991	CXJMOBVRVGEPFV-JOCHJYFZSA-N	444.447	3.937	50	40	IHGB	
N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	8442723	NDMZETRGSUKXQI-NRFANRHFSA-N	430.420	3.628	50	40	IHGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3cccs3)c(OC)c1)C(C#N)=C(N)O2	8854810	AAXAIYLIMMZJGK-SFHVURJKSA-N	436.493	3.870	50	40	IHGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	16178849	ZPSIHNVHXZYHNF-HSZRJFAPSA-N	439.471	3.626	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1	58913635	HYTMUQDIXLEWHZ-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc(Br)c1OC	96398867	FRQCPSYEDFSSSV-ZSOIEALJSA-N	444.285	3.970	50	40	IHGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1	408709102	XQOJZENPPQNLRR-UFFVCSGVSA-N	437.725	3.821	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408784801	VFRMHLDXEODLNP-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NNC(=O)C3CCCCC3)n12	877163	GAFUTEDIDPBSMG-UHFFFAOYSA-N	425.558	3.573	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)cc1	9289530	OVFQGNYKNCCGMP-MFKUBSTISA-N	436.464	3.833	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)c2ccccc2)c1O	10059620	LRJLWGNMPMFNFL-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(C(=O)O)cc1	59151931	KWZRSLTUKPXIIE-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
O=C(CCCCCCCCC(=O)N/N=C\c1ccc(O)cc1)N/N=C\c1ccc(O)cc1	102441036	QBHDKQXPLADXIB-MFYXSQMNSA-N	438.528	3.819	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)cc(OC)c2OC)cc1	408809021	GIESOLNHDJKVTQ-NVNXTCNLSA-N	431.286	3.698	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OS(=O)(=O)c1cc(C)ccc1C	3285444	HMUCSECUEPHHBF-LPYMAVHISA-N	444.534	3.905	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1OC	9110109	DKUAHRQECQEXON-AWEZNQCLSA-N	441.484	3.553	50	40	IHGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(Nc2ncccn2)c1	30549616	AGINDPFEBOSSJA-MRXNPFEDSA-N	427.464	3.602	50	40	IHGB	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I	34890268	GOSRXRYGGFJFRH-YBEGLDIGSA-N	432.261	3.913	50	40	IHGB	
CCCOc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1OC	40115913	KZCDJQHGHPPVOF-UHFFFAOYSA-N	428.485	3.615	50	40	IHGB	
O=C(COc1ccccc1)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21	40137624	OBCHXKPBFBKKOU-VYIQYICTSA-N	449.894	3.665	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	57411692	FBACRMQZLGKMNU-HYARGMPZSA-N	442.368	3.884	50	40	IHGB	
CN(C)c1oc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1Br	59104214	ACTVRXOXDWUZES-LSCVHKIXSA-N	439.360	3.960	50	40	IHGB	
CCS(=O)(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)cc1	96309262	HGUCPOCQBQHHEY-PUMYGXPMSA-N	444.557	3.620	50	40	IHGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)OCCO1	408869224	PVJWWDXVWNABOZ-LPYMAVHISA-N	433.302	3.631	50	40	IHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccccc1O	409224056	IRGHNIFPMQUNRZ-FMCGGJTJSA-N	439.811	3.937	50	40	IHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1Br	409323777	QJUPWNHGUGASKZ-UCQKPKSFSA-N	443.297	3.798	50	40	IHGB	
COc1ccc(OC)c(/C=C(\C#N)c2nn(CCO)c(/N=C/c3ccc(C)cc3)c2C#N)c1	8426292	GBESXFQKGKRNLR-WPQZPIHKSA-N	441.491	3.887	50	40	IHGB	
CC(C)CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926823	ULDVLXRASJXOGJ-RUZDIDTESA-N	427.460	3.558	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1)NCc1ccco1	12660280	AKVINVYOVCZMQO-MFKUBSTISA-N	437.521	3.607	50	40	IHGB	
COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCCCC2)c2ccccc21	13425440	WTSZJOSJALGFGC-XDJHFCHBSA-N	436.556	3.540	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)ccc1OCCN1CCOCC1	19638969	YDEBXRMQAUXDMO-HKWRFOASSA-N	443.588	3.644	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NCCc1ccccc1	28215420	HZVPBMQVZCUEPC-JVWAILMASA-N	435.911	3.842	50	40	IHGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	409043344	QCFFTLJVJLUSCA-XBXZZTFYSA-N	446.139	3.899	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OC	409336538	TXUFOGDRPZNOAF-OYKKKHCWSA-N	428.872	3.698	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccs2)C(C#N)=C(N)O3)cc1OC	2432603	XGDSDWJUPVQINK-FQEVSTJZSA-N	435.505	3.502	50	40	IHGB	aggregator
CCOc1ccccc1/C=N\NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3	31858963	HVPAQDOCJJZPHO-RZLMZTPSSA-N	438.553	3.693	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3C)c3ccccc32)cc1	46084984	HZXHRMLEWRBNEG-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1	102828846	HDTUIUBMNJUQDS-UHFFFAOYSA-N	434.376	3.893	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	409271791	NEDDTHXBHHJYAG-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	2222636	USOWMTPKNKLRNY-JQIJEIRASA-N	432.455	3.982	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	8452175	OMVSNKGCZGQTCL-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Cl)Nc1ccccc1F	9973358	ZNWGZENSIBWLDQ-OPEKNORGSA-N	426.835	3.656	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	20208766	TUTJXIIZDUQQHQ-LYBHJNIJSA-N	429.586	3.929	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1O	23358662	XFNZTYBFNALXAH-JJIBRWJFSA-N	437.521	3.512	50	40	IHGB	
CN(C)SSCCNC(=O)C1CCN(C(=O)CSc2ccc(Cl)cc2)CC1	299754580	UUMUWKKBJWGZNG-UHFFFAOYSA-N	448.079	3.645	50	40	IHGB	
C/C(=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccs1	408724813	BFPQTKDAFNZZEI-JWGURIENSA-N	427.551	3.868	50	40	IHGB	
CCCCCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851888	NFAYGIBGEPPGDX-NFBKMPQASA-N	431.540	3.619	50	40	IHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)cc1	408706988	GHXBOQCKUCSLNF-JVWAILMASA-N	446.507	3.522	50	40	IHGB	
COc1cccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)c1	818365	QSGWACREVLMVCT-HNAYVOBHSA-N	433.863	3.611	50	40	IHGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1	15401591	XFJRDBBTDVPIMK-FBKQIBBUSA-N	441.440	3.723	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1	408763473	FQJGODUCKMMWTF-HYARGMPZSA-N	428.466	3.518	50	40	IHGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408874932	FLMYNKHINHVVQK-LZYBPNLTSA-N	430.888	3.988	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(I)c1O	9190622	HRYMRLDDALFMOU-UFWORHAWSA-N	444.656	3.731	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc2c(cc1Br)OCO2	13595703	SQFLNTCRAUPQMK-UFWORHAWSA-N	440.091	3.633	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2)cc1	408968781	ZBPWXBOQMFQAQW-MZJWZYIUSA-N	430.439	3.787	50	40	IHGB	
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409132761	RCMDIGKHWKFUIW-LJQANCHMSA-N	446.345	3.976	50	40	IHGB	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	409235485	BMMMXCIZDFNKJN-VBKFSLOCSA-N	442.313	3.840	50	40	IHGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1	9678739	VMZGTJCAUDLWGD-LFVJCYFKSA-N	436.537	3.626	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc([N+](=O)[O-])cs2)[C@H]2CN(Cc3ccccc3)CC=C12	13756011	ZQLQRCNREWCEPL-FPOVZHCZSA-N	442.504	3.582	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC	33741633	VFSCRTIHGJDUGT-DHRITJCHSA-N	446.931	3.891	50	40	IHGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1	96476443	FUKYDLNTCNLGIW-FXBPSFAMSA-N	441.487	3.989	50	40	IHGB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3ccccc3)C2=O)cc1	112289795	WGRHGLVTGQSJAL-XLNRJJMWSA-N	426.476	3.655	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br	408778390	TUFIDOFNWPPHAY-LGMDPLHJSA-N	426.314	3.713	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)Cc2ccccc2)cc1	408979978	PBTVKPKXGJGNHP-OEAKJJBVSA-N	441.578	3.706	50	40	IHGB	
COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)c1OC	729029	HHWYPJRMXYKIGZ-INIZCTEOSA-N	437.521	3.723	50	40	IHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1C	14201089	NMUDNNPPWFJVNQ-HNNXBMFYSA-N	427.501	3.723	50	40	IHGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc21	15566168	BEWOGDHFIDPBGQ-UHFFFAOYSA-N	436.443	3.751	50	40	IHGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1	20232509	ISIQAQJSZFDZSR-HYARGMPZSA-N	427.551	3.787	50	40	IHGB	
COc1ccccc1NCC(=O)NNC(=O)Cn1c(-c2ccc(C)cc2)csc1=S	32883659	BKUBUQMPMZHLJF-UHFFFAOYSA-N	442.566	3.523	50	40	IHGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	48572918	IXPSMNUCTJYISG-WGOQTCKBSA-N	431.492	3.925	50	40	IHGB	
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c1	408762589	FCCMSEGCERHTGI-RIYZIHGNSA-N	432.217	3.762	50	40	IHGB	
COCCN1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O	409139214	BPCFWUPIIKRZDR-SFHVURJKSA-N	430.346	3.832	50	40	IHGB	
COc1cccc(/C=N/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1	3145835	GZCSEDSQCYVMKZ-CPGHBSSUSA-N	444.447	3.525	50	40	IHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2cccs2)cc1OC	14134796	SIODLULICVDIMN-RQZCQDPDSA-N	430.267	3.524	50	40	IHGB	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(F)cc1)OCc1ccccc1	14922485	YYDYTQJGAVBJRI-QVGKIPNLSA-N	435.455	3.519	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1	33870677	HIGZUOJPQKZCGM-LDADJPATSA-N	427.298	3.751	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)c2C)cc1	408588792	JRRLFXFLLJYWEP-VULFUBBASA-N	447.491	3.692	50	40	IHGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	409247398	HAXMOWQRHQXIBH-OVVQPSECSA-N	439.471	3.562	50	40	IHGB	
O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccccc1F	409375202	HBBQTXUAHMCGFU-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(OC)c1	33690840	CVLJSLHQMKKWQC-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	38179132	UVAXJRBEZAFOCZ-LSHDLFTRSA-N	443.257	3.778	50	40	IHGB	
Cc1ccc([C@H]2[C@H]3C(=O)OC(=O)[C@@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	102665357	LARDTZQEAYSVKI-BDTNDASRSA-N	443.499	3.818	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(Cl)c2)cc1	409120310	TVPKKNHDLGNJRN-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OC(C)C)c(Br)c2)n1	409224863	LDELPZRUHDVZGW-AWQFTUOYSA-N	437.363	3.886	50	40	IHGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)n1	13147206	UBWIKRFDXMHHCG-SFHVURJKSA-N	432.484	3.943	50	40	IHGB	
O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240442	URHKQLBVNPRNRP-MTDXEUNCSA-N	430.527	3.907	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1	408709087	XGUAQJFYYNMGFA-SSDVNMTOSA-N	437.725	3.822	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409176428	MZQGDZLGCCSWRN-LSHDLFTRSA-N	443.799	3.979	50	40	IHGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1	12915840	XVPHIXADKJXKEX-GOSISDBHSA-N	441.553	3.599	50	40	IHGB	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cc(Br)c(O)cc1O	17877154	CZOOYOZNSDMPJQ-DJKKODMXSA-N	442.107	3.706	50	40	IHGB	
COC(=O)N/N=C(\C)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841611	CNNVOWBKVGCQGM-TZUFMOBMSA-N	437.496	3.540	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408767585	YRYQQSJLVQTLBG-ISXGRJCASA-N	433.599	3.560	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)cc2OC)cc1	408792206	JMXXLMKYSZQQGQ-RIYZIHGNSA-N	445.269	3.799	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1O[C@@H](C)C(=O)N(C)C	6881501	SCJDGUOATUXSQP-MZIMDPFXSA-N	427.545	3.543	50	40	IHGB	
Cc1ccc(OCC(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2c1[C@@H](C)CC2=O	12815990	IOKLAAONMNEBNU-AWEZNQCLSA-N	449.532	3.957	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(I)c1	35494392	AWWDPHWPUBTLDR-ZDLGFXPLSA-N	443.082	3.747	50	40	IHGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3O)o2)cc1Cl	409084567	PRBOSJUDSVVNTQ-ZVBGSRNCSA-N	429.772	3.676	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCCCc1ccccc1	409237816	IZRWYTPLNCPLLD-BOPFTXTBSA-N	443.297	3.568	50	40	IHGB	
O=C(c1ccc(O)cc1)[C@H](Br)[C@H](Br)C(=O)c1ccc(O)cc1	1671972	IEIFUWWNNMXHCI-OKILXGFUSA-N	428.076	3.690	50	40	IHGB	
COc1ccccc1CC(=O)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	9391645	NOSULPVGAMJLDY-UHFFFAOYSA-N	426.476	3.552	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1O	13844402	RGCPCPTUPJMVBW-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)cc1	15224551	FKSAGTYOWRECOZ-YSURURNPSA-N	430.823	3.843	50	40	IHGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccco2)cc1	22637250	XCCMUWIEGOCMKJ-REHTXZLISA-N	428.492	3.932	50	40	IHGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)c1ccccc1	28214393	NTVMSFYMHYHXLZ-RGXRWQALSA-N	431.492	3.850	50	40	IHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	33374719	GRYOXEGAZUQEJK-HKWRFOASSA-N	442.519	3.608	50	40	IHGB	
CC(C)CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408708807	TUEOZYJLRWZNDM-YDZHTSKRSA-N	431.334	3.805	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(OC)c3)c2C)c1	408966651	MTYJOXHIHWTSLE-QQXSKIMKSA-N	433.508	3.972	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(OCC)c2)cc1	409223733	ILDGNTOEDPHBJD-OQLLNIDSSA-N	443.887	3.547	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1	864038	KVTPZFOTGHFLGE-WSDLNYQXSA-N	429.933	3.869	50	40	IHGB	
COC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1	1026298	YQXXQXVURKISAI-LJQANCHMSA-N	432.505	3.597	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)o1	1477803	FSHRUBOLBJPTIW-ZMOGYAJESA-N	432.505	3.838	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1cccs1	20232415	SBNPQMRHLMUHNB-CJLVFECKSA-N	427.551	3.868	50	40	IHGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc(Br)c2)cc(OCC)c1O	408844080	GVMBITYUUXJMOC-UUYOSTAYSA-N	433.302	3.811	50	40	IHGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1	408906952	FGBRQSHPUHEUJA-MXJLDLDKSA-N	439.537	3.543	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1	408926407	SWDKOMFLNUOXOA-FSJBWODESA-N	447.866	3.665	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1OCC(=O)Nc1ccccc1	409375323	JCFRZRUDCKPOAF-JXAWBTAJSA-N	443.459	3.964	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O	9347670	APYXERCMHBZEKV-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)c1C	20211582	HUQZORUSTDDMPL-LSHDLFTRSA-N	442.368	3.835	50	40	IHGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br	408784365	BGHKRGHIUPPFDC-SDQBBNPISA-N	426.108	3.655	50	40	IHGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409140742	SECCMDDEJMWHLA-KRWDZBQOSA-N	432.318	3.586	50	40	IHGB	
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl	5179495	UUJYJBKBCDBZBV-NHCUHLMSSA-N	444.959	3.863	50	40	IHGB	
CO[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431177	VSTJWUMERKEGGP-XWSJACJDSA-N	449.297	3.594	50	40	IHGB	
Cc1ccc(C(=O)N[C@@H](C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(C)C)cc1	10042621	BWTQSFNZWJQCBG-MNVTYAKESA-N	447.491	3.858	50	40	IHGB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)c3cccs3)C2=O)cc1	112292962	KMMISFHQNUIENS-HKWRFOASSA-N	432.505	3.716	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409011953	IDNXWCBUOYAWBT-YSMPRRRNSA-N	447.491	3.881	50	40	IHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-]	409163848	YQFSCNGIIFEQNM-HZZGJGATSA-N	438.415	3.571	50	40	IHGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NC(N)=O	409238425	ZWDMOAKPEJIHKB-QPEQYQDCSA-N	434.677	3.783	50	40	IHGB	
O=C(NN=Cc1cccc(O)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	8397024	BAJHJQRGFUNMDG-UHFFFAOYSA-N	431.399	3.946	50	40	IHGB	
COc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccco3)cc2)cc(OC)c1OC	17101285	UEOOYPQJOOISAF-AFUMVMLFSA-N	437.452	3.712	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2)cc1	20215175	XJASVFLKQKZYMD-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OC(C)=O	408765369	VQEHCIJWCMAKBS-SSDVNMTOSA-N	449.301	3.854	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	408885711	FGRJFYSVNVQKSP-OEAKJJBVSA-N	444.896	3.637	50	40	IHGB	
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	1421526	PMURRNWGNILAMU-ZVHZXABRSA-N	447.403	3.503	50	40	IHGB	
Cc1ccc(O)c(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1	8427125	ZTKYDEXEBVTZQY-BQYSLQBPSA-N	442.519	3.688	50	40	IHGB	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	9216388	KQNGXBDRBLYLQO-BHGWPJFGSA-N	431.374	3.931	50	40	IHGB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNC(=O)c1ccc(Br)cc1	16160684	FSFVNMWSXKFKPS-YBEGLDIGSA-N	433.693	3.644	50	40	IHGB	
COc1ccc(CSCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	59473518	SZBLXQUCUYEHKY-DNTJNYDQSA-N	437.315	3.570	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408964118	ORVWEBSXHHQEEG-SYOQMXFQSA-N	437.540	3.620	50	40	IHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	409072013	UDTPBDYPQZZOAY-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1Cl	409138826	INWBYNSICFRURF-OAQYLSRUSA-N	439.943	3.735	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1	12275204	LEMOSZUDSGHOLA-JTSKRJEESA-N	440.908	3.770	50	40	IHGB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C[C@@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1	16753068	QFSILWILFSVOCZ-AYBCGVOZSA-N	430.460	3.920	50	40	IHGB	
Cc1ccc[n+]([C@@H]2[C@@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)c2ccccc2)c1	100685345	SEORTYATEUXONQ-GPXOXTDOSA-N	437.528	3.517	50	40	IHGB	
Cc1c(/C=N\NC(=O)c2ccc(I)c(O)c2)c2ccccc2n1C	408843623	AIXCDMCIIPCWAG-JMIUGGIZSA-N	433.249	3.561	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OCC	409007650	YRMNYMUJHRCEGF-NLRVBDNBSA-N	437.540	3.877	50	40	IHGB	
CC(C)n1cc(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)c2ccccc21	409156174	STXOBZLLDHIMEF-OPEKNORGSA-N	426.904	3.521	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1	409314536	LCMKTEAVBZFXCY-GOSISDBHSA-N	449.532	3.801	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)cc1[N+](=O)[O-]	409353274	ZXLQRHSCBOXELJ-CIAFOILYSA-N	435.278	3.708	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc12	9381728	ZLSPJECZWUSXDN-OAHLLOKOSA-N	444.582	3.925	50	40	IHGB	
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)c1	13776462	DFIVZHSNYQHVSH-QGOAFFKASA-N	440.459	3.920	50	40	IHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1	58914126	HVKUBIQJEQSOLJ-YUMHPJSZSA-N	436.943	3.947	50	40	IHGB	
N#CC(C#N)=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1	408780978	PATXONHIRSKIAJ-UHFFFAOYSA-N	430.201	3.999	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl	408789446	KTVRWRMLSSEHLV-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
C=C[Si@@]1(C)O[Si@@](C)(C=C)O[Si@](C)(c2ccccc2)O[Si@](C)(c2ccccc2)O1	2002125857	YFYDPUWQTWJMDA-KXSOJQAOSA-N	444.784	3.619	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2OC)nnc1-c1ccc(Cl)cc1	1245854	OTJJVBQZOZCDBF-WSDLNYQXSA-N	429.933	3.869	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)c1O	8780664	VVOWWNBUCQYZGY-SSDVNMTOSA-N	448.317	3.649	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccccc1Br	9190154	KXLFSGIQFJJERJ-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2	14327348	YSLPBBQGNFFWOR-UHFFFAOYSA-N	445.498	3.765	50	40	IHGB	
CC(=O)c1cccc(NC(=S)NNC(=O)c2cc(Br)ccc2Cl)c1	17095111	OPBQBSQGYDAZCC-UHFFFAOYSA-N	426.723	3.937	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1[N+](=O)[O-]	59463322	ZZCLARAJRJXUED-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408610292	NGJGJLZYKSQVDB-YSURURNPSA-N	426.275	3.688	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc(Cl)c1Cl	408924704	LSPVNUXHHIXHGF-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1	1211336	OPHQVXVBEJNVFU-XNTDXEJSSA-N	429.270	3.937	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(OC)ccc4OC)CC(=O)N3C2)cc1	2327602	BCZJQXXCENVPLR-GOSISDBHSA-N	437.521	3.932	50	40	IHGB	
COC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O	2411829	CWUFKEJODXYWCO-JLHYYAGUSA-N	440.253	3.638	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1	12500190	ZEZWOXXIAFLCHE-MDWZMJQESA-N	433.233	3.686	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](OC)c3ccccc3)cc2)cc1	28214425	KQKRMWWAZIROMX-NHVVDLMHSA-N	447.491	3.551	50	40	IHGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3ccc(Cl)cc3)c2c1	199422266	JGBFKLMUFNMOPW-UHFFFAOYSA-N	440.931	3.855	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC1CCCCCC1	890543	UGUUZQBBYLZCCX-PGPKDTDWSA-N	448.567	3.682	50	40	IHGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc(OC)c1OC	2225836	QQFHPSHJRBWKJQ-QGZVFWFLSA-N	437.521	3.932	50	40	IHGB	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cc2ccccc2oc1=O	3368981	AWKLAYSIZUEVOR-UHFFFAOYSA-N	425.400	3.676	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	13768892	SNYDGOJWAPFICU-FOWTUZBSSA-N	434.883	3.966	50	40	IHGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)s1	32759870	DFEAIDODJWDMAE-SFHVURJKSA-N	437.496	3.620	50	40	IHGB	
COc1ccc(/C(=N/NC(N)=O)[C@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1	38191907	FCULCYWBAAIFKT-NBZDLTCJSA-N	445.475	3.563	50	40	IHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	409143241	MBSNANYMROQPEP-RBUKOAKNSA-N	442.924	3.890	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OCC(=O)Nc1ccc(F)cc1	409187620	ACABFWYSPYDLJK-LGMDPLHJSA-N	437.471	3.818	50	40	IHGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccnc2)cc1	3036838	DPHMOYXNCQHYFD-QFHPJZRHSA-N	441.535	3.849	50	40	IHGB	
CCOC(=O)c1csc(N(NC(=O)c2ccc(OC)cc2)C(=O)NC2CCCCC2)n1	8754219	QAFHBISGBSJMEF-UHFFFAOYSA-N	446.529	3.522	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)cc1C	12250369	VTSVPLOUDKJVNV-SFHVURJKSA-N	436.493	3.922	50	40	IHGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)c(Cl)c1	19861310	INOWIKAAAAGXFR-KOEQRZSOSA-N	433.383	3.960	50	40	IHGB	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)s1	32759872	DFEAIDODJWDMAE-GOSISDBHSA-N	437.496	3.620	50	40	IHGB	
Cc1occc1C(=O)NNC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1	32976271	FWYYTPMTXRGAFQ-UHFFFAOYSA-N	429.542	3.546	50	40	IHGB	
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	36689380	JYFYDIYCEXUFRX-CQSZACIVSA-N	430.408	3.573	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O	408906578	HRUCSNWPXZRXBJ-HYARGMPZSA-N	442.368	3.884	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2oc(C)c(C)c2C#N)c1C	409173066	LLIRSMGDTBXMOM-BHGWPJFGSA-N	435.440	3.856	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c3ccccc32)o1	409389624	CFYAKGKVVYAZFA-VULFUBBASA-N	444.491	3.899	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4cc(OC)ccc4OC)CC(=O)N3C2)cc1	2327599	BCZJQXXCENVPLR-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	
COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2392841	QYCFWWOUTPVTOV-AREMUKBSSA-N	445.519	3.842	50	40	IHGB	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccc(F)c1	2763399	FTAMXGFCKLYOAI-AFUMVMLFSA-N	432.484	3.711	50	40	IHGB	
Cc1ccc(C)c(NC(=S)NNC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c1	2795323	QIERPYHMFGSNEF-LBPRGKRZSA-N	438.395	3.533	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl	8722041	IHCCRUDBUSYNTC-JJFYIABZSA-N	442.815	3.606	50	40	IHGB	
Cn1c(CC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21	9631521	GTZSQXNSGPVWPE-UHFFFAOYSA-N	444.335	3.615	50	40	IHGB	
CC(C)c1ccc(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	9634908	RGDZXLYYCUJELQ-UHFFFAOYSA-N	443.550	3.747	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	16790823	YMSDRYPUHZIFGK-CMYVBNMBSA-N	428.492	3.750	50	40	IHGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	33731383	HLUHTTLEBKGAKH-RCCKNPSSSA-N	441.487	3.936	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1F	408709088	XHXVXPBDZQCVEJ-LGJNPRDNSA-N	448.454	3.973	50	40	IHGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	408789896	OKJYINGJZWOCJY-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I	409222894	YCYPEUXSLUUKAF-ATVHPVEESA-N	446.288	3.956	50	40	IHGB	
CN1C(=O)/C(=N\NC(=O)c2ccc(COc3cccc4cccnc34)cc2)c2ccccc21	3284491	OMFNPXXTSQDQHX-COOPMVRXSA-N	436.471	3.924	50	40	IHGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)C[C@H](C)O1	9075717	HAFBWUMKFDYSSA-DWXXHQTDSA-N	443.532	3.982	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Cl)cc1Cl	13306721	PAVWPIRJGIYBGD-CLCOLTQESA-N	431.323	3.918	50	40	IHGB	
CC(/C=C/c1ccco1)=N\NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	13880683	VRYNXKFLGBZODG-DQWZZSBASA-N	443.459	3.985	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c(Br)cc1O	408810430	IXNWBOAYDUYPLU-NVNXTCNLSA-N	431.286	3.785	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	408995401	CHFIZKIYCFEVLM-ZVHZXABRSA-N	448.435	3.628	50	40	IHGB	
O=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cc(=O)[nH]c2ccccc12	3212445	BPSMNYQMPVFNLX-BHGWPJFGSA-N	446.419	3.531	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	9408642	IJZLNZBHFFALSV-OAQYLSRUSA-N	435.549	3.840	50	40	IHGB	
Cc1oc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc4c(c3)OCCO4)c2C)c(C#N)c1C	33504725	NDXZOHJENPSBHT-ZMFRSBBQSA-N	432.480	3.640	50	40	IHGB	
COc1ccc(CNC(=S)NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC	34880891	NEFBSMBTOKAHDH-GFCCVEGCSA-N	439.990	3.533	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1ccccc1	100964886	QSNYQXXHDVJRSK-NRFANRHFSA-N	425.554	3.713	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1OC	408980438	QYDFIXKGBZUPCN-AZVXTCMLSA-N	431.492	3.715	50	40	IHGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2cccc(Br)c2)c1	409013948	OAHBSJNIAAUBCZ-UCQKPKSFSA-N	441.329	3.835	50	40	IHGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409218526	FPNXXWOIJFMETE-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409256858	NVKLYGYPYFDJLO-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1OC	15018608	WILJLDSUYJELKJ-MFKUBSTISA-N	448.479	3.877	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	20212592	MZKWRPXNHOMKOL-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4cccc(Cl)c4)c(=O)c23)C1	31783207	CUIZBTDJYLHPFR-MIHZTRLPSA-N	428.945	3.948	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1	408864575	XQRIIGQFQJACDM-OQKWZONESA-N	427.551	3.792	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc(OC(C)C)c1	408969158	IFVQJXAQZGDDSS-QVGKIPNLSA-N	439.556	3.842	50	40	IHGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(C)(=O)=O	409120946	UTNDIWHWHQKMRT-MFKUBSTISA-N	439.512	3.864	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1	1326525	RVYLAHYEGFRGPB-CJNGLKHVSA-N	433.390	3.520	50	40	IHGB	
COc1cc(Cl)c(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10118531	UKIYPGDPGCQUEH-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567631	BDHMYNRCRIJRJQ-XMMPIXPASA-N	430.895	3.775	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(O)c3)nc3ccccc3c2=O)cc1	31870576	FLJJPLWYFYTNBD-QFEZKATASA-N	444.516	3.642	50	40	IHGB	
C/C(NNC(=O)c1ccccc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	112292637	SOLNAZRCUPTFAZ-PGMHBOJBSA-N	441.447	3.554	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1NCc1ccco1)C(=O)Nc1ccccc1	408709136	XXYZQUWXSSBZIS-FSJBWODESA-N	441.285	3.743	50	40	IHGB	
O=C(N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(-n2cccc2)cc1	409100222	UOJATBYAINYLEG-JAIQZWGSSA-N	429.230	3.618	50	40	IHGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409258318	WGVWHFBHTUAPEE-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2O)cc1	2361470	NJZNMYRLWUAEBU-XMHGGMMESA-N	439.899	3.557	50	40	IHGB	
COc1ccc(OC)c(/C=C2\S/C(=N\NC(=O)c3ccc4ccccc4c3)NC2=O)c1	13372426	DFNVHTKDLWMXJS-MOSHPQCFSA-N	433.489	3.762	50	40	IHGB	aggregator
Cc1nn(C)c2ncc(C(=O)NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc12	40040218	XZRXJFVTXJHJPB-UHFFFAOYSA-N	449.898	3.584	50	40	IHGB	
CCc1sc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1C	40144586	UYXGJNQVVZSUTQ-KRWDZBQOSA-N	427.570	3.549	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408608282	HARHGLXTCVMFEE-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)ccc1OC	409318560	YOXSOMFXGOQKHN-NHDPSOOVSA-N	437.290	3.638	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c1C	584907196	QDTRDVZAFVEZDG-FSDJYTRQSA-N	430.552	3.695	50	40	IHGB	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc(OC)c1OC	1472676	KNCLLRJQADOCPL-MFKUBSTISA-N	434.448	3.696	50	40	IHGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl	19861314	ARUJLRDFSJIELF-KOEQRZSOSA-N	433.383	3.960	50	40	IHGB	
CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(C)cc2)cc1	19956829	FDGRJJWXRXROMG-HYARGMPZSA-N	443.550	3.656	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)c(OC)c1	27563535	GDYWBCCJXXEHAC-RVDMUPIBSA-N	441.281	3.886	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1	33390746	ZEZWOXXIAFLCHE-JYRVWZFOSA-N	433.233	3.686	50	40	IHGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc3ccccc23)cc(OC)c1OCC(=O)O	408856098	HHTKCTMAFAMYPS-WGARJPEWSA-N	448.475	3.569	50	40	IHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(-n2cccc2)cc1	409063014	FMKZSMUSSBNDHP-JAIQZWGSSA-N	429.230	3.618	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3[C@@H](C)CCC[C@H]3C)=C2C#N)cc1	409316261	LKEXUQZUFFUGJV-FCEWJHQRSA-N	427.570	3.947	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OCC	409391031	HCJYWKZWEAKOOM-SRZZPIQSSA-N	437.290	3.725	50	40	IHGB	
CN(C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	103173473	TVONSFUYJGNUKO-CQFDHEJISA-N	431.994	3.760	50	40	IHGB	
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408685619	LWJOPMARZZQWPC-QMROVXIMSA-N	428.282	3.988	50	40	IHGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)c1ccc(F)cc1	10059299	ZRBFJZSYORTKGU-FXBPXSCXSA-N	432.043	3.526	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3cccc(C)c3)c3ccccc32)cc1	46084923	IVHIIJVLCXDNTR-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1	409143239	MBSNANYMROQPEP-OALUTQOASA-N	442.924	3.890	50	40	IHGB	
O=C(NNc1c(F)c(F)cc(F)c1F)c1cccc(S(=O)(=O)N2CCCCCC2)c1	2644899	DVIODFVRVZBLCX-UHFFFAOYSA-N	445.438	3.565	50	40	IHGB	
Cc1cccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4cccc([N+](=O)[O-])c4)cc3)o2)c1	12728223	MLUSCIZEQDGDKZ-UHFFFAOYSA-N	443.419	3.695	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1	12857138	JNEDSRAFLIVIRO-QGZVFWFLSA-N	437.279	3.738	50	40	IHGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	18039884	JRCSYNBXCORYLS-WSDLNYQXSA-N	436.380	3.552	50	40	IHGB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1	100812937	LARJPIMUYNXHNB-FCDQGJHFSA-N	438.553	3.977	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10118625	FMXBDMVGNQZRGE-UDWIEESQSA-N	436.249	3.629	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2cc(OC)ccc2OC)sc(C(C)=O)c1C	31776151	AESXGXJDJBIRTK-FBHDLOMBSA-N	433.486	3.609	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1OCC	59515634	WPXQARHVQSTTBF-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
COc1ccc([C@@H](CC(=O)Oc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1	98008894	OBNJXUNTUWKIET-OAQYLSRUSA-N	446.415	3.936	50	40	IHGB	
O=C(N/N=C/c1cccc(O)c1)c1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1	408731085	IWJVJUIYFTXBHG-LGJNPRDNSA-N	444.516	3.796	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCC#N	408809688	HSAJRWATEDLUJS-ZYTLPXSGSA-N	432.318	3.962	50	40	IHGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1	1497689	MFKPARJALYAYFN-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nc(-c2ccccc2)cs1	3446134	ZLCHTINGVMIOQP-UHFFFAOYSA-N	433.942	3.782	50	40	IHGB	
Cc1ccc(NC(=O)C[C@H](C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl	9849396	IQXCXHFIKORYPT-LBPRGKRZSA-N	446.891	3.681	50	40	IHGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc2c1OCCO2	14197089	XVXBBXIZORBZKK-OVCLIPMQSA-N	436.283	3.567	50	40	IHGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	20059793	ZBYJBZGTUUNQOS-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1	31867302	SEOHQMLECXEJLG-QERUCQRHSA-N	431.496	3.701	50	40	IHGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(Cl)c1Cl	32576958	XAEQHANUVCJELA-MSXFZWOLSA-N	439.774	3.915	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccccc2)c2ccccc21	103041288	WICUQBXTDJYKNR-AZPGRJICSA-N	441.487	3.698	50	40	IHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408720208	VURUGJOUEBAANA-MRSJDWDVSA-N	425.554	3.709	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408817184	XGWQJWLASFNBJK-JYRVWZFOSA-N	433.233	3.686	50	40	IHGB	
Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)NC2CCCCC2)n1	409106710	SVHHOFIIPQEWST-XNTDXEJSSA-N	439.497	3.906	50	40	IHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	409197069	VGDMVCNHDVQCJG-MTANCQBXSA-N	448.567	3.633	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409258650	VBZANHDDRBVSQX-ZMOGYAJESA-N	433.420	3.595	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC	20764725	FASLRGMURNNEHH-LPYMAVHISA-N	431.286	3.632	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC(C)=O)cc2Br)cc1	408745968	PPQRWAIMUVMFDI-ZSOIEALJSA-N	445.269	3.937	50	40	IHGB	
CC(C)CC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	15790317	OTEPPZQOYLAHLJ-UHFFFAOYSA-N	444.340	3.601	50	40	IHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1	58635863	AFYLQKXRWIBUNA-BUVRLJJBSA-N	441.940	3.681	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)O)cc1	408796385	OTRRPCPCBVOWNB-NTEUORMPSA-N	445.269	3.857	50	40	IHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C	409109582	HQTREJLMOFUSDE-BUVRLJJBSA-N	438.553	3.562	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	818388	ODUQNCRILHAWPU-BEFAXECRSA-N	433.863	3.611	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1OC	2432602	XGDSDWJUPVQINK-HXUWFJFHSA-N	435.505	3.502	50	40	IHGB	aggregator
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1O	10476119	UDTLMRBWTZEDBJ-DJKKODMXSA-N	444.656	3.813	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1	12362557	QZLJHAVHXHGCOC-HYARGMPZSA-N	427.302	3.857	50	40	IHGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2cccs2)sc2c1CCCCC2	13769049	YOZXZXYFCPUFLA-WSDLNYQXSA-N	433.555	3.734	50	40	IHGB	
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)NCc1ccco1	13770462	SYGMNTMADRVRJG-GHRIWEEISA-N	426.432	3.612	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1)S(=O)(=O)c1ccccc1	100063444	AUMWEGQWICURAR-XIEYBQDHSA-N	449.532	3.928	50	40	IHGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c(C)c(C#N)c1=O	409067168	JQKBDNBGSPGGHJ-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2I)c1OC	12555914	OKRUXKFZSJMTMU-JLHYYAGUSA-N	434.233	3.854	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OC	33586362	CCMXTFULAWCEST-SRZZPIQSSA-N	434.290	3.579	50	40	IHGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)Cc2cccc3ccccc23)cc1OC	100759575	GVGZSYGWYGKMJL-MTDXEUNCSA-N	447.535	3.641	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc([N+](=O)[O-])c1	408968770	YWZDZRCUDYFBLE-LGJNPRDNSA-N	448.410	3.957	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1444764	LAIFUSXRNYADPN-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O	6166531	BNNNOZSIJJLLAI-ZMFRSBBQSA-N	446.532	3.982	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C	9634392	RZAFOCLLBSWRQM-WOJGMQOQSA-N	429.480	3.807	50	40	IHGB	
C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	9914802	MKLYFSJWFIPSDP-HZDTVXMRSA-N	442.338	3.969	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(Br)cc1O	408676665	LZPHUXFOAFWVOT-LPYMAVHISA-N	432.318	3.918	50	40	IHGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1	409322557	KJUPFAVYXVILDP-LJQANCHMSA-N	449.532	3.801	50	40	IHGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1	10315724	VXQWODZTOLIVAL-WGOQTCKBSA-N	433.508	3.972	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cn1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	13567739	ZPVDJHQHWJTQCR-XMMPIXPASA-N	445.910	3.782	50	40	IHGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	27519493	JEOKPESNDJXUEA-LGJNPRDNSA-N	443.419	3.859	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	104478946	NSDHCBUVRBJTFP-POCPDCKQSA-N	429.451	3.800	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(I)c1	1087243	HGQZTXXEHOOKJL-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	2102602	XYPRRGOGPZTHOR-LPYMAVHISA-N	433.380	3.519	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	9055464	ABKCGQMBLXVGAA-VWLOTQADSA-N	428.467	3.873	50	40	IHGB	
NC(=O)N/N=C(/CCC/C(=N/NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	9309995	GCKUEKHZSSAYJZ-YFJQDTPYSA-N	435.315	3.609	50	40	IHGB	
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1	12291901	CKFJNMUNEZEMGO-AWEZNQCLSA-N	449.345	3.876	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OC)c1	27563626	VXTCUCBQAHXXMG-HMMYKYKNSA-N	434.492	3.977	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)ccc1OCc1cccc(C(=O)O)c1	59250226	VNGGXEWQDIZJFF-CVKSISIWSA-N	447.491	3.802	50	40	IHGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)cc1	985181	ULKJVUMSUVHSRW-IBGZPJMESA-N	432.480	3.883	50	40	IHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1	4489115	DLZMROBPUUVZGR-PDGQHHTCSA-N	427.464	3.946	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9264407	SRFJMOWXOOEHHL-CVKSISIWSA-N	446.532	3.659	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br	59436967	VFEZVIMNRWCCER-DJKKODMXSA-N	425.670	3.841	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1	409233833	TZEXJRTXTULYTI-WGARJPEWSA-N	436.439	3.804	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1cccc(F)c1	1435624	TXJPQJSRLVTPHO-MZJWZYIUSA-N	435.455	3.924	50	40	IHGB	
O=C1O[C@H]2[C@@H](Br)C[C@@H](Br)C[C@H]2C=C1c1ccc([N+](=O)[O-])cc1	5328193	BLSXBJSPGFBGCG-TXFQPVFDSA-N	431.080	3.841	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1)NCc1ccccc1	28213543	JFVOOUBMYNHNOT-JVWAILMASA-N	447.560	3.765	50	40	IHGB	
CCOC(=O)c1nc(-c2ccc(OC)cc2)oc1NNC(=O)C(F)(F)c1ccccc1	28293780	JDQSQBHBZBJGOO-UHFFFAOYSA-N	431.395	3.762	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	58918069	UDDWKEFDTJRIRN-XQNSMLJCSA-N	439.562	3.754	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)c(C(C)C)cc1Cl	95202412	KQVXAYFGNOVELI-ROMGYVFFSA-N	442.947	3.537	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC)cc3OCC)[C@H]2C1	9067032	GIBZLEFMKPPHRD-GMAHTHKFSA-N	431.540	3.619	50	40	IHGB	
C/C(=N\NC(=O)CCC(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1	13882064	FIZSPVHVKRNYJW-CIAFOILYSA-N	433.262	3.616	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	17314428	YXIXETCCWHOSNJ-OXGXFOOWSA-N	432.094	3.901	50	40	IHGB	
C=CC(=O)N1CCC(C(=O)NNC(=O)c2c(Cl)cccc2Cl)(c2ccccc2)CC1	1626722153	LGVVSOASRQRVLY-UHFFFAOYSA-N	446.334	3.501	50	40	IHGB	
O=C(NCCCCl)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1	6146900	DAKPMWYGNGZQEB-UHFFFAOYSA-N	431.739	3.609	50	40	IHGB	
C/C(NNC(=O)CC(C)C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	8432392	IHRIIVOIGCPXEW-GXDHUFHOSA-N	425.436	3.502	50	40	IHGB	
CCN(CC)C(=O)COc1ccc(/C(C)=N/NC(=O)c2ccccc2Br)cc1	9714584	IOSGOZHFQZHVJH-HZHRSRAPSA-N	446.345	3.850	50	40	IHGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cs2)cc1	29463102	HLUPPBGQTSARDH-UHFFFAOYSA-N	433.537	3.824	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	32109657	SRXJPSIDVBQHHZ-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1OC	60510398	CRUYEULICOKUBJ-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CN(C)c1cccc(C(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	408543676	SAUGPESIVABNEW-DHRITJCHSA-N	430.464	3.811	50	40	IHGB	
CC(C)(C)NC(=S)NNC(=O)c1cc2cc(Br)cc(Br)c2o1	408586217	MNGSFUMJIKQYCT-UHFFFAOYSA-N	449.168	3.865	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	408979004	KUEGRCZCIPPWPG-KXWHUPIZSA-N	446.463	3.615	50	40	IHGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1	409145657	QNQIHDZMCZHRCP-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
CC(=O)NNC(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c12)CCCC3	1372108	IGORLFUCAPTANP-UHFFFAOYSA-N	440.594	3.615	50	40	IHGB	
O=C(COC(=O)CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccccc1F	8883621	ROGSWBXITCHXTI-UHFFFAOYSA-N	446.887	3.729	50	40	IHGB	
O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8935183	POQAFGJENIGTIF-QQTULTPQSA-N	440.375	3.609	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nnc1-c1ccc(C)cc1	13582827	GWVSAODSKAEHLC-YDZHTSKRSA-N	439.541	3.533	50	40	IHGB	
COc1cc(C(=O)NNC(=O)c2ccccc2Br)cc(Cl)c1OC(C)C	14250168	PTJORLUIHJKQAE-UHFFFAOYSA-N	441.709	3.973	50	40	IHGB	
O=C(NNC(=S)NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1	34966571	CYFPUMPTMCNIOK-UHFFFAOYSA-N	439.924	3.868	50	40	IHGB	
C/C(NNC(=O)CC(C)C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	103826279	IHRIIVOIGCPXEW-UVTDQMKNSA-N	425.436	3.502	50	40	IHGB	
O=C(N/N=C/c1ccccc1I)c1ccc(Br)cc1	3098962	GFGPAKHAGFROSJ-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
N#CC(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)=C1Nc2ccccc2N1	13074637	WKPMQOTXMZORIP-UHFFFAOYSA-N	425.477	3.749	50	40	IHGB	
CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	101192894	ZXDYQEBZUFIEDB-MRCUWXFGSA-N	445.479	3.716	50	40	IHGB	
Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)sc(N)c1C#N	253481445	FAGBUFARBHJUFV-UHFFFAOYSA-N	428.857	3.886	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C(=O)O)ccc2Nc2ccccc2C)cc1	408709304	ZFJWANUTMJJFNL-AFUMVMLFSA-N	430.464	3.834	50	40	IHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1I	408747399	NHUQIPFSTSOKDQ-BOPFTXTBSA-N	442.256	3.527	50	40	IHGB	
O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1	3140607	LEVFHDPQYYKUTE-KSCAPLKLSA-N	440.253	3.820	50	40	IHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc2c(cc1Br)OCO2	9553513	VFMMSYIIQIHKCO-AUEPDCJTSA-N	426.270	3.893	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1O	16137046	DPUWSDYFXAXECZ-JJIBRWJFSA-N	437.521	3.512	50	40	IHGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1Cl	36635935	BIULXYKHCOOWFH-ISPGYRLHSA-N	427.913	3.521	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1	408786755	MZQSRZLQFGADAP-JJIBRWJFSA-N	425.485	3.561	50	40	IHGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408966119	MWWSFTJZNHOVIR-SRZZPIQSSA-N	442.225	3.879	50	40	IHGB	
COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1	409207105	PFDZZWCBICDJLG-QYAIIROKSA-N	445.519	3.931	50	40	IHGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	9261909	HIWLMJNAUKQMPE-RSFOSLOZSA-N	439.269	3.950	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H]3CCC1	13541746	DKJGAIUEEABSIR-UJBXUPAJSA-N	429.568	3.859	50	40	IHGB	
O=C(N/N=C/c1cc(I)ccc1O)c1cccc(Br)c1	13844407	IUYHGIGNCSTVLE-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCc1ccccc1	408610313	NNBULAKZRQNGEF-OGLMXYFKSA-N	445.519	3.739	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1C	408924581	KGLHSIQEZNIIQT-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(I)c1	408961080	QWZNKUKSYLQYIF-FYJGNVAPSA-N	433.293	3.964	50	40	IHGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1I	409193387	JSGNTARNBFUZOC-RGVLZGJSSA-N	438.652	3.721	50	40	IHGB	
CCCNC(=O)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1	3768070	XGOFKLVRKPQUBM-UHFFFAOYSA-N	425.898	3.636	50	40	IHGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccco1	6198376	XIDQLGJECSBWJM-FQEVSTJZSA-N	436.537	3.704	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21	12402231	JTZGKCUQAHDORV-VWLOTQADSA-N	428.467	3.873	50	40	IHGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1	26293120	AYANVVFGOIFSDS-ZIAGYGMSSA-N	425.407	3.924	50	40	IHGB	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Cl)cc1	245380210	UINOFCFQLOYKAQ-DZDPUUJWSA-N	433.527	3.622	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973660	NVEFTKOMKNSODL-HLHNIQGOSA-N	445.544	3.973	50	40	IHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1	6195022	LPWXPHITUAWWJQ-WMZOPIPTSA-N	441.413	3.587	50	40	IHGB	
CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccc3c(=O)n4c(nc3c1)CCCCC4)C(O)=N2	9666781	BRRTYYFTWGULJO-UHFFFAOYSA-N	443.507	3.982	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1O	30822109	USNJKZUOSZDDMN-OCKHKDLRSA-N	444.656	3.813	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC(=O)O	33720485	AKSCQWYPRNSYSO-AUWJEWJLSA-N	445.269	3.775	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C	408692701	SJUPBGUSCMXBDD-MZJWZYIUSA-N	436.487	3.972	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)C(C)(C)C	408906538	GWYMVBOELXMZTQ-UFFVCSGVSA-N	427.876	3.663	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1O[C@@H](C)C(=O)O	409017163	FCLWMXIKQYWWHT-YSGZUTGPSA-N	435.480	3.719	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	409260061	KCCDOTIGDLNYRS-ZMOGYAJESA-N	433.420	3.595	50	40	IHGB	
O=C(NNC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1	1414048	PWTCZUPFLNBLGB-UHFFFAOYSA-N	427.420	3.522	50	40	IHGB	aggregator
Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	16449221	FFHNCLBEBPDBBH-UFFVCSGVSA-N	429.230	3.963	50	40	IHGB	
CCOc1cc([C@@H]2[C@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	19851767	PJYXCCBELTUBFI-NZQKXSOJSA-N	431.540	3.618	50	40	IHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCC1	59435895	OBCGHSXREHRRMZ-UHFFFAOYSA-N	433.961	3.620	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1	408946615	ZAQOKZDVYDNETE-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1)c1ccccc1	408999361	COBWYWQCFYYMCF-WQGFDPGOSA-N	433.892	3.772	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1	409026407	OGBQVPGFHSHDSQ-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409190221	MPNQMYJJZQDFCZ-UFFVCSGVSA-N	439.693	3.808	50	40	IHGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(OC)c(OC)c1	1439570	ZBBNVNVKEQCDLV-JYRVWZFOSA-N	445.269	3.799	50	40	IHGB	
CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cccc1c32	1460200	PGTBGQMPESGRCD-SANMLTNESA-N	437.455	3.707	50	40	IHGB	
Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(Br)cc2)C1=O	1790771	INXHYDBSQIHHJC-IMGOXIFKSA-N	442.338	3.669	50	40	IHGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)NCCc1c[nH]c2ccccc12	2252250	HRPKGOQIJAQUGC-VIZOYTHASA-N	438.281	3.925	50	40	IHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3CC=CCC3)cc2)cc1	9096767	KRDKKMMDPGRDSS-BXDFRRGMSA-N	427.526	3.958	50	40	IHGB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NNC(=O)Cc3cccc(F)c3)c2n1	9913449	BSCGPHZEDPXWEB-UHFFFAOYSA-N	436.270	3.758	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c1C#N	59427738	XJFUACDOHRLKEQ-MZJWZYIUSA-N	444.491	3.516	50	40	IHGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(OCc3ccncc3)cc2)cc1OC	98006922	ISKOOADFZQROSQ-JCMHNJIXSA-N	443.503	3.944	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	107737189	IKGGNAIPPCAKJG-ZVHZXABRSA-N	432.436	3.896	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCC(=O)O	408850244	JEUCVWHXMKMEBV-PDGQHHTCSA-N	436.464	3.831	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	408897969	JOVVYXGSLFWPBV-UUILKARUSA-N	430.214	3.940	50	40	IHGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408966894	OSFFHIAKWGQYEB-MOSHPQCFSA-N	448.548	3.904	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1O	409248920	HXVKTJVBDDRKOG-ODCIPOBUSA-N	430.675	3.840	50	40	IHGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@H]1c1ccc(OC)cc1	639186	YIKDONVKZLTBFM-RTBURBONSA-N	426.469	3.505	50	40	IHGB	
CCOCCCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O	2414555	KGKOIUMQIZDXCY-XDJHFCHBSA-N	446.507	3.553	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1	19948376	LLUPQMCWDDKHPE-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccccc3)cc2)cc1	28213861	CPWXSVVDNJVQFS-MFKUBSTISA-N	449.532	3.955	50	40	IHGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1	30809080	BIWHNJFUQPPCTN-RMORIDSASA-N	439.295	3.853	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1	408727830	SHFQGFOKPXOXIR-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1	408779595	ZGNBRDVPXRUJQL-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
COc1ccccc1C(=O)NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3	2196689	XXTGAASRZRYQTO-UHFFFAOYSA-N	446.532	3.761	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	3102523	LAMYLVGMFAYNHL-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1	5492583	VSFQUGNLCJAUNF-FJSNCCPHSA-N	435.505	3.542	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1	6196448	KAZMIGWFDWPOCM-GOSISDBHSA-N	448.479	3.719	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1	9097122	AVQFYGYAAANFBV-DEDYPNTBSA-N	444.494	3.611	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	32109664	DMJYHRXNLTXBQB-DICXZTSXSA-N	446.507	3.879	50	40	IHGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O	62772220	SBLCIFMZTFIOPM-BJBACYQFSA-N	447.922	3.616	50	40	IHGB	
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	102828844	UDTMODCGTOEFRH-UHFFFAOYSA-N	440.433	3.817	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	107789498	BBVGNZIAAHNPKT-OYKKKHCWSA-N	433.420	3.565	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408744754	HDZAUVBUUUHOMS-DHDCSXOGSA-N	444.871	3.845	50	40	IHGB	
Cc1n[nH]c2c1[C@H](c1ccc(COc3cccc(Br)c3)o1)C(C#N)=C(N)O2	649029	CPHCHSFLORHICM-KRWDZBQOSA-N	427.258	3.871	50	40	IHGB	
CCc1ccc(C(O)(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(CC)cc2)cc1	825219	YQXTWKRSAFKANL-UHFFFAOYSA-N	427.504	3.520	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1055848	CKDZXNANKZTKDP-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1	2354652	LQUOAZHHNBGXHX-IBGZPJMESA-N	437.521	3.932	50	40	IHGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CCCl)CCCl)cc1Cl	5010677	SOXTZTWVQJRGPM-MRXNPFEDSA-N	434.751	3.815	50	40	IHGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1	14182495	DHJMVOWUBNPPJR-CQSZACIVSA-N	443.500	3.505	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccco1	20348560	YQVRGZZRAQKLNS-JOCHJYFZSA-N	449.532	3.754	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(OCc5ccccc5)cc4)[C@@H]13)[C@H]2Br	101052582	HWOLTBXNTJDQBE-CPPNMTBBSA-N	442.309	3.775	50	40	IHGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	102263856	GNIHJTNSFNRGHQ-UHFFFAOYSA-N	442.449	3.648	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Cl)cc1	408611445	QYWILQXUVFIJNN-DHRITJCHSA-N	431.920	3.540	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc([N+](=O)[O-])ccc1O	409046631	KQYKWEWSZKDNRA-AWQFTUOYSA-N	430.760	3.886	50	40	IHGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OC)c(OC)c2)cc1OC	409311928	IAGGRSZNBBFWBA-NHDPSOOVSA-N	437.290	3.638	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1	935291	DSCGOJFRKNFLQZ-IMGOXIFKSA-N	442.338	3.621	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	1086791	KAJDVPGRWYHLEB-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
CCOc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc(OCC)c1OCC	8882697	HZNAGQWQMRRLHF-HZHRSRAPSA-N	447.557	3.545	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1C#N	15231255	ATBUTDSOJGCWMK-IUXPMGMMSA-N	440.297	3.904	50	40	IHGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1	19954971	FUSPUAFPOVIKBQ-JJIBRWJFSA-N	445.585	3.689	50	40	IHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1	59101812	VZNGUBXMXPFFFU-WGOQTCKBSA-N	447.491	3.762	50	40	IHGB	
CCCCCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	100174075	LZUXJISXRKDEOG-RELWKKBWSA-N	430.302	3.826	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCC#N	408809678	HSAJRWATEDLUJS-GSFUKFRZSA-N	432.318	3.962	50	40	IHGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])cc1	409218881	IDRZEROEFPHOGL-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(OC)c1OCc1ccc(Cl)cc1	409238701	KVDCTOHUGCHUGN-YVLHZVERSA-N	425.872	3.758	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccc(F)c1	1433925	QMXSBZSJQNZORV-VULFUBBASA-N	436.439	3.891	50	40	IHGB	
COc1cc([C@H]2c3cc4c(cc3[C@H](Cl)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	4777906	UPDMGTICYKMZRT-KJYZGMDISA-N	432.856	3.656	50	40	IHGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)cc1	408758901	UIVJHBSMQSEUEB-KGENOOAVSA-N	432.501	3.986	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1	409026067	FEXZMPHFYMNARY-JJIBRWJFSA-N	429.586	3.853	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OCC	409129779	SLOTVCWNVBQGQN-SFHVURJKSA-N	446.345	3.976	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1	409192574	YTVQKQLJOFVXGN-UYRXBGFRSA-N	433.508	3.987	50	40	IHGB	
CCCCCOc1ccccc1/C=N/NC(=O)CNC(=O)COc1ccccc1Cl	8452587	FSOPAZLNVGPYDT-AFUMVMLFSA-N	431.920	3.554	50	40	IHGB	
Cc1cc(OCC(=O)NNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)ccc1Cl	12556638	HKOXMEVSHGHJAW-CYBMUJFWSA-N	432.933	3.545	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(OC)c1	33731042	NOEOLYKAXCUTSQ-WSDLNYQXSA-N	425.397	3.645	50	40	IHGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)c1	223155474	VGGPIKALPNIKOG-QFEZKATASA-N	434.496	3.509	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1	408846475	KALUJMANHSSGES-VBKFSLOCSA-N	446.438	3.528	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	408890192	PLSYXWWZQSSEHW-QGOAFFKASA-N	448.456	3.698	50	40	IHGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3sc4ncnc(N)c4c3C)o2)c1	408973237	KQXCOTCFUDNARD-NSKAYECMSA-N	449.492	3.783	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)ccc1OC	409312913	OGXAFANZHYUQHH-AFPJDJCSSA-N	441.267	3.628	50	40	IHGB	
O=C(CSc1ncnc2sc3c(c12)CCCC3)NNC(=O)c1ccc(Cl)cc1	888509	UBLLQAXRCYOVSS-UHFFFAOYSA-N	432.958	3.777	50	40	IHGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1	6194988	LPWXPHITUAWWJQ-AEFFLSMTSA-N	441.413	3.587	50	40	IHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	8558976	RXKWQIHRFIFVKV-UYRXBGFRSA-N	434.521	3.596	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408878483	BEJZQMYWWMBXFJ-VGOFMYFVSA-N	446.257	3.727	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	408941069	PKKSYNPPHMAXBZ-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1	409152752	GGUFTFUOQNXWMW-MZJWZYIUSA-N	447.491	3.700	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC(=O)O	409237036	VBZNJDZZUGYZNH-WQRHYEAKSA-N	442.899	3.858	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c(OC)c1	716732	MINGKVRQULVKQX-AWQFTUOYSA-N	427.682	3.649	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@H](c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)C(C#N)=C(N)O2	1107275	GRAAQCIPBXYPCX-KRWDZBQOSA-N	425.784	3.988	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccccc3F)nc12	2224381	STCAWAPCMPATJI-DTQAZKPQSA-N	432.455	3.900	50	40	IHGB	
Cc1ccc(-c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3)c3ccccc3n2)cc1	11397519	PEOYEELXAIXNCJ-UHFFFAOYSA-N	439.471	3.828	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)S(C)(=O)=O	20212626	HHUFXPDLOXNZKF-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408807880	IFKGNOZAHRNLLC-VCHYOVAHSA-N	440.297	3.569	50	40	IHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2)cc1	408907152	LNVYARRISHNLRK-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1cccc(Br)c1	409235797	BQWHMAJXILZNQH-UCQKPKSFSA-N	446.345	3.977	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc([N+](=O)[O-])c1	9846046	MXKDZYKXBXNZKM-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3c4c(cc(F)cc41)[C@@H](C)CC31CCCC1)C(C#N)=C(N)O2	14162341	AQYRMVCWAXNQDI-UOXLDJKESA-N	447.466	3.626	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cccc2ccccc12	19955237	CAOWLFJOAYMCKK-PCLIKHOPSA-N	431.517	3.909	50	40	IHGB	
O=C(N/N=C\c1ccc(Oc2ncnc3ccccc23)cc1)c1ccc2c(c1)OCCO2	33352410	BXUWUMUPEILZMB-VYYCAZPPSA-N	426.432	3.957	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O	408786816	OCYHKOLKCJVRNP-YDZHTSKRSA-N	429.929	3.718	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	1263100	RUBFVGIEGXYXSM-ACJLOTCBSA-N	432.307	3.861	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1Br	1434211	OPBQZFLNCDJVCJ-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2228885	LDTOZQVRZGYTFX-SJKOYZFVSA-N	432.307	3.861	50	40	IHGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	8780767	WAZBOVALSXYZSR-LPYMAVHISA-N	445.317	3.720	50	40	IHGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	12754606	VVBZFXFCPKYJDA-UHFFFAOYSA-N	431.495	3.563	50	40	IHGB	
COC(=O)COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	409372115	CPWNWCGWHUMHBX-NTUHNPAUSA-N	442.269	3.950	50	40	IHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O	19955469	LUSABYVRCZJDIX-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(Br)cc1	59418946	HXKKINQTNGHOSR-IUXPMGMMSA-N	427.052	3.884	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1ccccc1Cl	408722912	HUCKUOQBNMGWHL-ZVHZXABRSA-N	432.904	3.921	50	40	IHGB	
CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc(F)c2)=C1C#N	8972816	UGLDUQIDAZELSB-KRWDZBQOSA-N	425.485	3.935	50	40	IHGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)CCSCc3cn4ccccc4n3)cc2C1	12519873	LDPHWUCBPPZDCE-AWEZNQCLSA-N	428.583	3.605	50	40	IHGB	
CCCc1c(OC)c2c(c(OC)c1[C@@H]1C(C#N)=C(N)OC3=C1C(=O)CC(C)(C)C3)OCO2	15084747	IHCGGYYQBUIXLW-INIZCTEOSA-N	440.496	3.836	50	40	IHGB	
Cc1ccc(NC(=O)c2nc(NNC(=O)COc3ccccc3)ncc2Cl)c(C)c1	27987582	YEEVWALWYQVPFS-UHFFFAOYSA-N	425.876	3.521	50	40	IHGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	59437044	ZNTUIIUUHWSHDO-FYJGNVAPSA-N	433.942	3.747	50	40	IHGB	
COC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	96508168	KKHWIPWDABGESB-ZSOIEALJSA-N	434.370	3.811	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	108137612	ZYXRBIOWPZJDCL-BBMHEYIBSA-N	431.920	3.900	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2ccc(F)cc2)cc1	408786396	JGUOECHRSFPAJG-AFUMVMLFSA-N	443.475	3.619	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	2251951	LEQWXOPMINGMSN-GOSISDBHSA-N	438.281	3.779	50	40	IHGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc4[nH]nnc4c3)cc2)ccc1Cl	16495011	NRBYWVYCWPURCF-UHFFFAOYSA-N	435.871	3.574	50	40	IHGB	
CC1(C)CC(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)CC(C)(C)N1	59488444	NWHUKSFXOMNSJW-JVWAILMASA-N	430.552	3.869	50	40	IHGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1	409007176	UPWAMBGVRHBDSL-PCLIKHOPSA-N	425.916	3.907	50	40	IHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1C	409267875	PLRSFVAEHABKKF-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1OC(=O)c1ccco1	4067453	QZUFQPSBRWGSAA-ZVHZXABRSA-N	430.420	3.661	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(N/C(C)=C(/C#N)C(N)=O)n3)c2C)cc1	9254612	RZIRQPFDGHPECV-AQTBWJFISA-N	435.509	3.699	50	40	IHGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(Cl)c(Cl)c1	19367243	UBXXMIUAJQBQHE-WYMPLXKRSA-N	439.774	3.915	50	40	IHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)N2CCCC2)NC2=C1C(=O)CCC2	25355066	LAVDDKHNOCIKQR-JOCHJYFZSA-N	437.565	3.870	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OC	408962350	HQIKHGIOLZIZJK-AWQFTUOYSA-N	448.229	3.885	50	40	IHGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1	408965015	FPMHCDMPFVDSDO-YSMPRRRNSA-N	448.475	3.674	50	40	IHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OCC	409148030	XTOPPQIIIAGWKK-QFIPXVFZSA-N	439.556	3.867	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)c1ccccc1	9411039	WDUSVMNKVMRGTC-RVROXKIYSA-N	439.519	3.747	50	40	IHGB	
CC/C(C)=N/NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	14921471	MHMQVDRXZUYJNS-CKMDTHJYSA-N	428.514	3.529	50	40	IHGB	
C=CCNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	103163067	MKRSUBRVCDTKCJ-AQUOVQTQSA-N	444.005	3.974	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC(=O)O	408676117	FOGVGWKRBIGNFC-ZMOGYAJESA-N	445.903	3.566	50	40	IHGB	
Cc1nnc(NC(=O)CCCC(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)s1	408690772	WPXLEIMRLHALJI-CQSZACIVSA-N	427.885	3.518	50	40	IHGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(CC(=O)O)cc1	408692457	MXTKOQXDSDLXLJ-LGJNPRDNSA-N	438.915	3.937	50	40	IHGB	
Cc1c(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc2n1C	409087148	ATYLTLIMJXEEPQ-SSDVNMTOSA-N	446.292	3.654	50	40	IHGB	
O=[N+]([O-])c1ccc(OCP(=O)(c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)cc1	1829644	PMOREMGEOXFMAW-UHFFFAOYSA-N	443.308	3.762	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1	9190539	NLOQERRZLYIZKX-LPYMAVHISA-N	429.933	3.777	50	40	IHGB	
CCOc1ccc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OC	12741487	HTOCGDKTKBJSJX-UHFFFAOYSA-N	440.525	3.668	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	45331188	WWJQEUQELSKDGH-WYMPLXKRSA-N	449.419	3.675	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	408808144	FFCTVYVLORQFSI-RCCKNPSSSA-N	441.487	3.936	50	40	IHGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)cc1	408962637	ISCKUAPGEOCUKF-ZDLGFXPLSA-N	425.226	3.551	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	1187662	KSYNZOCPDRGNQW-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N3C2)c(OC)c1	2219536	CPMXWUOOAAJMOS-KRWDZBQOSA-N	437.521	3.932	50	40	IHGB	
O=C(N/N=C/c1ccc(I)cc1)C(=O)Nc1ccc2ccccc2c1	3083919	OOBBWHSEOBVYJN-CIAFOILYSA-N	443.244	3.533	50	40	IHGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	32576964	RDTMEHXUAZBSQU-QQXSKIMKSA-N	426.992	3.905	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC	59513193	ZVWWFYYWCSGHBA-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	408818846	YODKEOTUQVEGJA-XMHGGMMESA-N	445.475	3.919	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)cc2)cc1OC	409360376	FBCVKXCAUHTIHF-YUMHPJSZSA-N	429.476	3.847	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1O	9289342	WAIWSBKACOUTPL-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
CCCn1nc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c2ccccc2c1=O	12782877	DRCHJAHWSVWHII-NGQKZBSHSA-N	439.313	3.958	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1	59254886	DFYOIVZYAFYRQP-RIYZIHGNSA-N	445.269	3.937	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccco2)cc1)Nc1ccc(Br)cc1	408753021	KTNWELFRWFWHCJ-WSDLNYQXSA-N	442.269	3.824	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1	408799542	ZUBXKQWUAFBNAZ-XNTDXEJSSA-N	440.253	3.684	50	40	IHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408925143	NAIZJIQZNXBSAT-BDFKGGEMSA-N	431.558	3.514	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc2ccccc2c1	59679422	QTMLQIOFMVEKNU-LPYMAVHISA-N	428.286	3.796	50	40	IHGB	
Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1	408707085	GTDCPIXIEGBWQQ-FSJBWODESA-N	431.334	3.723	50	40	IHGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	408843893	BAGHRBPILMMQKS-AQTBWJFISA-N	442.475	3.697	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@@H]1COc2ccccc2O1	2349233	ANBGYYPCJGIJJP-QKXOWGBTSA-N	427.254	3.999	50	40	IHGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	3299014	JWKUEPGPDHMCBN-UHFFFAOYSA-N	437.477	3.517	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(CCc2ccccc2)c2ccccc21	4178508	VEQYLBHFXQKHPQ-MHZLTWQESA-N	439.515	3.881	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCOCC3)nc12	13658769	SHXRCORROKHAFZ-DTQAZKPQSA-N	429.505	3.513	50	40	IHGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21	18194825	SWDBIGGSPHJOSA-UHFFFAOYSA-N	443.084	3.607	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccnc1	20929460	ZGKJFWGNIFNWGQ-MZJWZYIUSA-N	441.443	3.932	50	40	IHGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	27500027	XRGYYDDLNZCLQL-WSDLNYQXSA-N	438.900	3.818	50	40	IHGB	
C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100394167	UNNNFTAAKHFUGN-IEYNBKADSA-N	427.136	3.526	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2O)c(C(=O)OCC)c1C	408547123	RJQYPTJCBJUTMK-XNTDXEJSSA-N	427.478	3.834	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408775723	KJTYILAZFQWSHS-LFVJCYFKSA-N	444.601	3.573	50	40	IHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(Br)cc2)CC1	409006884	RQEAXZUMQVVMLZ-OEAKJJBVSA-N	428.330	3.760	50	40	IHGB	
CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	1073869	WATOUHJMGJOHBB-WMZOPIPTSA-N	441.413	3.587	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2	2247890	UWFAUOLFWILNPE-IBGZPJMESA-N	449.308	3.581	50	40	IHGB	
Cc1occc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2	8825156	DAHDTVFNGOJXBL-AFUMVMLFSA-N	428.448	3.976	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1OC	9138176	ZNJSEIWLWCKJOK-FSJBWODESA-N	428.876	3.624	50	40	IHGB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1	9381772	ORAZXGLDVQJGFL-ZDUSSCGKSA-N	448.545	3.613	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1	28214439	XMBOSISZPMWHAG-RGXRWQALSA-N	447.491	3.551	50	40	IHGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	33679822	FCOTVSBOAQUOKF-UEXGIBASSA-N	427.430	3.941	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O	36154314	YALDTOIQTNGTJP-GCYXGZDWSA-N	428.228	3.533	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)Cc2ccccc2)cc1	59435397	WVFICBNHMLKRKL-UHFFFAOYSA-N	443.569	3.713	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	101052530	OCYLPVMLIUPUFH-LQSBQDLSSA-N	427.136	3.586	50	40	IHGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1	408543576	OXMKGKUSIRXNRE-UYRXBGFRSA-N	441.443	3.948	50	40	IHGB	
CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408752311	DFRBPSVXARCNQT-GDNBJRDFSA-N	429.270	3.937	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1C	408965469	HUAQVYGKZQCDPF-MOSHPQCFSA-N	448.548	3.904	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)cc1OC	1465619	OVYVHYVOONRDKF-YZSQISJMSA-N	447.539	3.952	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1	8427653	QRUDAZXIICQKFD-QEJMNLJLSA-N	427.136	3.586	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC	33724950	RJZHUGHJJYKYKU-SRZZPIQSSA-N	434.290	3.579	50	40	IHGB	
O=C(N/N=C/c1ccc(Sc2nc[nH]n2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409192561	DZOUAILBJSWMAN-IFRROFPPSA-N	437.268	3.935	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)cc1	795201	IBIMXWNDBFTGBQ-IBGZPJMESA-N	437.521	3.804	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1	2078396	KPSPXFIBEHBVPM-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
C[C@]1(C(=O)N/N=C/c2ccc(Br)s2)CC1(Br)Br	2751670	MLBHRZYAXGOYCU-KUQJRHMUSA-N	444.974	3.857	50	40	IHGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)COc3ccccc3C)c3ccccc32)c1	40137475	WDZNKEGEZZDTEP-FVDSYPCUSA-N	443.503	3.628	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1cccc(C(=O)O)c1	408860135	YFAYXYMTDZNHQY-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408993312	WDIBQAASZDPZAI-BXPUGBIQSA-N	447.539	3.695	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	409251758	BKQRCTGLMRFRLO-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc([N+](=O)[O-])cc1	716011	YLEMRCJEBOZSRP-JOCHJYFZSA-N	447.447	3.997	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(Cc2ccc(Br)cc2)CC1	8780803	RJMPQAGIQSBNDY-LPYMAVHISA-N	445.317	3.720	50	40	IHGB	
CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OC/C1=N\NC(=O)Cc1ccccc1	17198012	UDFZTVFJSZLZLD-KOEQRZSOSA-N	448.306	3.925	50	40	IHGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)NC(C)=C2C(=O)Nc2ccccc2)cc1	20172040	GCEJENBADSYUHG-JOCHJYFZSA-N	448.548	3.638	50	40	IHGB	
N#C/C(=C\c1ccccc1OCC(=O)O)c1nc(O)c2cc(Br)ccc2n1	43782751	SSXIYLABUKMSIR-KPKJPENVSA-N	426.226	3.625	50	40	IHGB	
C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O	226393788	UNNNFTAAKHFUGN-GNDKFOCNSA-N	427.136	3.526	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Cl)c1	408775234	GCEZROLQTIUTCV-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409162182	SPYXZRGGHOQQHA-JKJLQIMHSA-N	449.463	3.756	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)cc1	409223767	HKBAGOFQPBNMMH-KKUMRTDFSA-N	435.392	3.579	50	40	IHGB	
COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC	3085377	GNORYECLPHNQMR-FSJBWODESA-N	433.892	3.543	50	40	IHGB	
COc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	19951772	IHBMREFLDIRJOY-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	33892964	MESPTKHVLWQFIW-ATDNGYSZSA-N	437.283	3.806	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3OC)c2C)cc1	34799409	SOXBWRUZJZCFPY-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC	34896060	UMYUOTWINOWTOY-WSDLNYQXSA-N	446.301	3.745	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	96662780	VCRKMQZVHYDNAS-ZSOIEALJSA-N	433.386	3.514	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccccc2)cc1	1478278	DEEVCHCKEMTLIO-BUVRLJJBSA-N	446.536	3.524	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	9289393	OHILTZISTWENTA-LPYMAVHISA-N	427.254	3.954	50	40	IHGB	
CC1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)CC1	9381770	HBDYSXPLFWDCBY-UHFFFAOYSA-N	448.545	3.613	50	40	IHGB	
C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1	17095407	OMJRLMPHBSJUEN-VEILYXNESA-N	427.504	3.811	50	40	IHGB	
COc1cc(OC)c([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20029494	MKMLLHSHFRPSAM-HNNXBMFYSA-N	441.509	3.520	50	40	IHGB	
C[C@@H](C(=O)N/N=C\c1cccc(Cl)c1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31783199	CUIZBTDJYLHPFR-JIBSWZEXSA-N	428.945	3.948	50	40	IHGB	
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@]2(O)C2CC2)cc1	34909979	ZDYZSORIDLCNKZ-ZVDOUQERSA-O	443.390	3.737	50	40	IHGB	
Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(OCCC(C)C)cc3)C2=O)cc1Cl	102922042	OZYZUFHJLOIBFW-HXUWFJFHSA-N	443.931	3.640	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408567544	FPLHIOAROSGXPB-RGVLZGJSSA-N	433.511	3.611	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	408979118	LKULSSDHRSYYPJ-QADUPLGGSA-N	435.549	3.863	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)O)cc1	409205637	IYOWKTXMXKXFAC-RGVLZGJSSA-N	443.459	3.744	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)NCc1ccco1	28214830	NCCIJPDKABLMBR-MZJWZYIUSA-N	443.459	3.598	50	40	IHGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2cccc(Br)c2)c1	408589667	MOXXDYSVPIUCDH-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1	408864090	SQZCBUSYDKEJEN-BUVRLJJBSA-N	425.554	3.629	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	408940920	OSHCWQAPTXSKTE-CVKSISIWSA-N	446.507	3.668	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCC[C@@H](C)C3)nc12	9344778	ROZVQWKWMADYSP-HDAKKWKLSA-N	448.548	3.578	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(I)cc1	10118440	IXXIYWAYBVOZDS-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	20240407	JPDQZSUPLQVOSW-VFCFBJKWSA-N	441.579	3.839	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1	57675504	CMXYEFGDMCAJLJ-BUVRLJJBSA-N	438.505	3.844	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1	59535998	QERHYUIWQDKDIR-OEAKJJBVSA-N	444.896	3.880	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408813359	QFJLYABTQRSUKH-GZTJUZNOSA-N	445.313	3.706	50	40	IHGB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)CC1	409006586	JMWGECPBCUAKLS-FOWTUZBSSA-N	425.876	3.546	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)O	409178447	JREVVBUHXZLGSB-QPSGOUHRSA-N	431.659	3.883	50	40	IHGB	
CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)OC)N1C(=O)CCl	1083103681	UAJMZFHMCALKEU-PGRDOPGGSA-N	426.900	3.821	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3OC(C)=O)cc2)cc1	1421524	RGINCNOVWCBTLG-MFKUBSTISA-N	432.432	3.604	50	40	IHGB	
O=C(COc1ccc(I)cc1)N/N=C/c1c(F)cccc1Cl	1436446	UQIPZIBGEIXIEG-UFWORHAWSA-N	432.620	3.613	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1	13074673	WLDRRRITWLSTAT-UVHMKAGCSA-N	439.418	3.755	50	40	IHGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1ccccc1Br	13381852	IRSYZSMQRXNSOV-WYMPLXKRSA-N	432.362	3.886	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccco1	20034802	LWOOODNNKAWLKJ-OAQYLSRUSA-N	441.553	3.887	50	40	IHGB	
Cc1cccc(OCC(=O)NNC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c1	25182485	VGTVFJIBTXOBTI-UHFFFAOYSA-N	426.542	3.754	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	1306184	PHIPIZLFSWPZGD-REWPJTCUSA-N	431.540	3.618	50	40	IHGB	
C[C@@]1(C(=O)N/N=C/c2ccc(Br)s2)CC1(Br)Br	2751668	MLBHRZYAXGOYCU-LPQZUGQSSA-N	444.974	3.857	50	40	IHGB	
O=C(CCC(=O)c1cccs1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	9883027	SVYFTKXACUPXCU-UHFFFAOYSA-N	430.489	3.782	50	40	IHGB	
COc1cc(OC)c([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1OC	20029495	MKMLLHSHFRPSAM-OAHLLOKOSA-N	441.509	3.520	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	36235046	VBAFJUZLMHRSLY-XUMPPCAXSA-N	447.878	3.990	50	40	IHGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc4ccccc34)CC2)c1	59953150	RTAGBTNBYLEMTN-WPWMEQJKSA-N	445.519	3.860	50	40	IHGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408815032	SYAZIRXYOSCNGV-UUYOSTAYSA-N	427.254	3.980	50	40	IHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	408852852	NRNJDUAAKSAIJO-HMMYKYKNSA-N	442.519	3.608	50	40	IHGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cccc(Br)c1	3100160	GDIYYWSUKBAUCC-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1Cl	36635934	BIULXYKHCOOWFH-CQHJRZBDSA-N	427.913	3.521	50	40	IHGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccco2)cc1	58926123	KGAUTCKUWXOVIU-LPYMAVHISA-N	431.901	3.663	50	40	IHGB	
Cc1cc(C)c(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)c(Br)c1	216839126	NBDJQDNAMCMBFF-UHFFFAOYSA-N	430.302	3.652	50	40	IHGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	408842993	LAWIVJPSWZMLMG-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OC(C)C	409009391	FEDYPYLPUGIYMR-RGVLZGJSSA-N	438.265	3.851	50	40	IHGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(C)cc3)cccc2[N+](=O)[O-])c1	409226133	SYOSMNDNDAHOLC-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
C=CCOc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I	409237381	IJWMDXYBSQMGOK-MTJSOVHGSA-N	438.240	3.688	50	40	IHGB	
Cc1ccc(C[C@H](Cl)CNC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	825921	ASWTUBFJPBASEZ-SFHVURJKSA-N	428.989	3.929	50	40	IHGB	
C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cc(Br)ccc1O	3663722	IVWIQUCBKWJDBT-XTTRTJGBSA-N	442.107	3.835	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1	17397203	VTUUVIAPDMAYJD-UHFFFAOYSA-N	443.912	3.524	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1)C1CCCCC1	107712697	YOIPVMJLYNCRBR-KQWNVCNZSA-N	429.542	3.523	50	40	IHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OC	408541981	INYUSHJSYMPGTH-MLPAPPSSSA-N	431.242	3.710	50	40	IHGB	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(=O)CCl)CC2	1558174	WRQYTVSIGKEZEJ-OAHLLOKOSA-N	449.956	3.804	50	40	IHGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	19643179	WBODAWWRYIBGNG-VULFUBBASA-N	445.431	3.550	50	40	IHGB	
Cc1nnc(NC(=O)CCC(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)s1	138761872	ZVZHDQDTQADVPT-ZDUSSCGKSA-N	430.313	3.642	50	40	IHGB	
CCCCCCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	1956836	ZTHZKGXCEGGKDT-UHFFFAOYSA-N	431.128	3.954	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1	58884425	HSITTZFIHCYIFK-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1	408783129	LCTYMCRDMFZCGL-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004529	DKKLDMVYTSVWOW-WYMPLXKRSA-N	448.306	3.694	50	40	IHGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Br)cc1	409138392	BAYPQLBAGGRXMJ-PTNGSMBKSA-N	430.277	3.970	50	40	IHGB	
O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NNC(=O)c1ccccc1	2629507	RQRJNBFJGOCYJF-UHFFFAOYSA-N	431.473	3.581	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccncc1	9046828	DAXLLZMCAUGGIZ-LKUDQCMESA-N	449.308	3.568	50	40	IHGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1	13130310	GJLVRAMHDWGJHE-CQSZACIVSA-N	443.297	3.596	50	40	IHGB	
CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)c3ccccc3C2=O)cc1	38182592	JYDUAHFCSRBGFH-CJLVFECKSA-N	427.460	3.548	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	39986454	HJNSVHTWPPZHDI-ULJHMMPZSA-N	443.569	3.559	50	40	IHGB	
O=C(N/N=C1/C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21)c1ccccc1O	103041225	KFEYWNAEGAIZEP-NJNXFGOHSA-N	435.867	3.605	50	40	IHGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1	408708651	SBFDWYHSXPIPOS-LHSRNITLSA-N	449.338	3.791	50	40	IHGB	
O=C(O)COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl	408846276	JEPMEMBCADNREP-MXAYSNPKSA-N	438.867	4.000	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(C#N)cc1	409198609	INKSTUDDVYNYCE-UHSICZIDSA-N	431.492	3.738	50	40	IHGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OCc2ccccc2)cc1	642490	JQADFBCXWKQGIS-FQEVSTJZSA-N	432.505	3.823	50	40	IHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	731959	XHLNWJRWCSUYFL-SILNSSARSA-N	429.524	3.876	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccnc1	9283604	WABDPSLCJMHEOF-OEAKJJBVSA-N	428.901	3.690	50	40	IHGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)ccc1O	12275728	CFGXOIAOQLKDKZ-YCRPNKLZSA-N	428.897	3.697	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2cccc(C)c2)cc1	33540415	XXSXAAAVNWJPJM-WGOQTCKBSA-N	449.576	3.953	50	40	IHGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1	59473345	VJFMBVVEOJDGFX-SRZZPIQSSA-N	436.375	3.907	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(F)cc2)c1Nc1ccccc1C	408707139	HDMCCYSHVWYAQN-JFLMPSFJSA-N	434.471	3.653	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408970871	LMFBYNOJVWXTFU-XDEFOSFOSA-N	439.556	3.844	50	40	IHGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OC	409320000	OKXQCEPJUWUVGT-NHDPSOOVSA-N	435.274	3.501	50	40	IHGB	
COc1ccc(C(=O)NNC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1	1377390	HXESEFJVGIZIRH-UHFFFAOYSA-N	442.566	3.747	50	40	IHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	2198490	BNMIJRWEZUDQKH-NRFANRHFSA-N	428.448	3.526	50	40	IHGB	biogenic
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1	9450137	YHSSXBRJDFNBMO-DQRAZIAOSA-N	428.492	3.569	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1	28215669	UTVQDBIBQNBYNI-CVLFLDGLSA-N	431.492	3.715	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	33679820	FCOTVSBOAQUOKF-LQWHRVPQSA-N	427.430	3.941	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409036171	AEUXOXMOJUDEPY-NTCAYCPXSA-N	445.431	3.597	50	40	IHGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	409043345	QCFFTLJVJLUSCA-YQVQXVJZSA-N	446.139	3.899	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C	28617642	WCAMPMVYBJUOAV-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4cccc(Cl)c4)c(=O)c23)C1	31783203	CUIZBTDJYLHPFR-NGDRAAPSSA-N	428.945	3.948	50	40	IHGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)o1	408569018	YCCLFOBORNYKOI-SSDVNMTOSA-N	443.253	3.965	50	40	IHGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408793425	FKFRJEUXJRSAQA-NTEUORMPSA-N	427.254	3.721	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408906293	FTMIRGCTKPEEGW-KEBDBYFISA-N	446.381	3.632	50	40	IHGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	1444209	VQWBPLOKQJTOLS-BXKMTCNYSA-N	444.535	3.674	50	40	IHGB	
O=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	8826163	LMPZIFUTJNAKPN-DHRITJCHSA-N	448.426	3.665	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C	30838850	RGILLZIBFOHSAK-QFEZKATASA-N	447.447	3.960	50	40	IHGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NC4CCCCC4)cc3)c(C)nc2c1	58872748	YTJDSQXOEFEVKV-CVKSISIWSA-N	447.539	3.543	50	40	IHGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(Br)cc1	59435410	CIFAIAMHQCZMFX-UFWORHAWSA-N	436.107	3.932	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	107648255	VJVMFNFWRRNCDC-OYKKKHCWSA-N	433.420	3.565	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	409185321	XBJOPASFMRJVKB-RGVLZGJSSA-N	434.246	3.695	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)/C=C/c2ccccc2)cc1	409227756	WHVUBFSMDRLBGX-QDXGEHQNSA-N	445.431	3.986	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	1051750	SCIOFGFZORBJFB-ZVHZXABRSA-N	433.420	3.652	50	40	IHGB	
COC(=O)/C(C#N)=C/c1c(N2CCC(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O	2204895	XNUQQNXTDWROQF-LTGZKZEYSA-N	442.519	3.542	50	40	IHGB	
C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O	9914807	MKLYFSJWFIPSDP-XXADUYMVSA-N	442.338	3.969	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)nn(Cc3ccc(F)cc3)c2Cl)n1	13127404	APJTXRVQVFUDCL-NUGSKGIGSA-N	446.939	3.682	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408707677	LRMCRIDRQZDTFD-VTGBELTLSA-N	435.297	3.697	50	40	IHGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408756029	XGABUYLTZXRITH-GHRIWEEISA-N	449.444	3.908	50	40	IHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409132635	JOUOVMHSFVLBJQ-GOSISDBHSA-N	444.329	3.752	50	40	IHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCCC2)c2ccccc12	409152475	JCORSTSXUXNVFZ-NBVRZTHBSA-N	428.492	3.818	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)ccc1Cl	3033748	YQUCHEIQZYFSEQ-IFRROFPPSA-N	425.666	3.669	50	40	IHGB	
CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	6147768	BQWWRGDIBBOESE-FQEVSTJZSA-N	425.510	3.575	50	40	IHGB	
C/C(=N/NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccc(C)o1	8427588	UMMNBVOSXVNLRE-PMJFYEQOSA-N	432.436	3.808	50	40	IHGB	
CCOC(=O)c1csc(N(NC(=O)c2ccc(C)cc2)C(=O)NC2CCCCC2)n1	8754184	MTKYCJQRFDHULF-UHFFFAOYSA-N	430.530	3.822	50	40	IHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812084	UIKHZRGLXRNJHR-KEBDBYFISA-N	442.228	3.602	50	40	IHGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1	12932385	JXPFRQUXMJVCDD-UHFFFAOYSA-N	447.557	3.799	50	40	IHGB	
Cc1cc[n+]([C@@H]2[C@@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)cc1	19805083	ZDYZSORIDLCNKZ-QKNQBKEWSA-O	443.390	3.737	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCc3ccccc32)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1	25422097	WHDBKMFHIPZWKY-QHCPKHFHSA-N	442.544	3.833	50	40	IHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1	408589339	LKRKOAKUNIVGPE-RPPGKUMJSA-N	443.463	3.732	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(OC)cc2)cc1	409227679	ZQHXXAZSSXHDKE-OYKKKHCWSA-N	449.419	3.595	50	40	IHGB	
COc1cc(OC)c([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC	2338971	RZIAEFGZOOVYAC-INIZCTEOSA-N	437.521	3.932	50	40	IHGB	
CC(C)CCOC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	8965083	OXEYJANPEZRLMM-IRLDBZIGSA-N	443.613	3.677	50	40	IHGB	
CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)no2)=C(C#N)[C@H]1c1cccs1	20528939	QVEQOOHUXRZOIG-SFHVURJKSA-N	444.538	3.676	50	40	IHGB	
O=C(CCCN1C(=O)c2ccccc2C1=O)NN(Cc1ccccc1)Cc1ccccc1	40160993	BEKLEHKXFTWTGG-UHFFFAOYSA-N	427.504	3.796	50	40	IHGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	245380211	UINOFCFQLOYKAQ-GRRRKWKPSA-N	433.527	3.622	50	40	IHGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cc1ccccc1	3152677	BWBZDSDWVLZGAI-VXLYETTFSA-N	426.108	3.913	50	40	IHGB	
COc1cc(C(=O)NNC(=O)c2ccc(C(=O)c3ccccc3)cc2)ccc1OC(C)C	12769726	FCYDNAAEAJZXJM-UHFFFAOYSA-N	432.476	3.788	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc([N+](=O)[O-])cc1Br	408531876	OXGSHCKUYJLLRC-GZIVZEMBSA-N	445.195	3.938	50	40	IHGB	
COc1ccc(C(=O)Oc2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)ccc2OC)cc1	408887238	NDINDFVZVVRFKO-ZVHZXABRSA-N	449.419	3.595	50	40	IHGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccc(C)cc2)cc1OC	409361039	GKNXDWNYYLNERE-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
COC(=O)COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	8451652	RXCCHGHOZARGIK-FBHDLOMBSA-N	431.242	3.511	50	40	IHGB	
C/C(=N/NC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C)c1ccccc1	8997050	UQJSRJTXBSGZLB-HMAPJEAMSA-N	428.539	3.715	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC	9261916	YGUYDNGOCFITFS-UFFVCSGVSA-N	433.258	3.985	50	40	IHGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)COc1ccc2ccccc2c1Br	9833790	VGRIGYZWWABUCO-KPKJPENVSA-N	443.272	3.981	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	9933817	ULYAAPILHCBDIF-AQTBWJFISA-N	427.298	3.751	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)c(OCC)c1	10118463	OPEIJLWUXOPFQM-UDWIEESQSA-N	438.265	3.853	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc([N+](=O)[O-])cs2)[C@@H]2CN(Cc3ccccc3)CC=C12	13756013	ZQLQRCNREWCEPL-CTNGQTDRSA-N	442.504	3.582	50	40	IHGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1	34913983	QYNWTYSMGYDMPD-ZHZULCJRSA-N	439.471	3.933	50	40	IHGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	101149796	OQDHXAOSTXIWEK-PXLXIMEGSA-N	438.487	3.778	50	40	IHGB	
O=C(N/N=C1\[C@H]2[C@H]3C[C@@H]4[C@@H]2/C(=N\NC(=O)Nc2ccccc2)[C@H]2[C@H]1[C@@H]3[C@@H]42)Nc1ccccc1	104202351	TYRFZTBYWFHEKN-CJKYZQHNSA-N	440.507	3.730	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCCc1ccccc1	408797598	SNLKJWVDZRYJGN-OQKWZONESA-N	425.488	3.970	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c(C)c(C#N)c2=O)cc1	409055621	COIFHPQFEQIAAX-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1	864000	SPKWNQGAXDWMCV-SRZZPIQSSA-N	444.904	3.769	50	40	IHGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1	1097686	ZORMWYNJTQFJLZ-FQEVSTJZSA-N	431.404	3.629	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1	9934801	KESPTSKFJPVZOJ-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)ccc1Cl	10038247	STWMCANABJEGML-AUEPDCJTSA-N	426.812	3.879	50	40	IHGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccnc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc12	20558245	DWIKVWILRISKCN-OAQYLSRUSA-N	442.500	3.608	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nccn1-c1cccc(C)c1C	21609439	NQPILOCUUQZEBC-UHFFFAOYSA-N	444.944	3.704	50	40	IHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1	25323563	ATDXSPYNCBDWQI-IBGZPJMESA-N	441.528	3.552	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	408764518	JBZTVXPZYPJSBR-NMWDDECMSA-N	429.586	3.962	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21	409355597	CQMROQPOJRZSEM-SSDVNMTOSA-N	428.286	3.731	50	40	IHGB	
COc1cc(Cl)c(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OC	409364000	KPWHCMDQDLCKNQ-ZVBGSRNCSA-N	426.698	3.682	50	40	IHGB	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccccc2)cc1	1478232	ZKMHNAAOIBIORI-MFKUBSTISA-N	444.520	3.580	50	40	IHGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(I)o2)cc1	10058847	HSOJIRZJYCDNFC-FGHSJCFPSA-N	426.254	3.927	50	40	IHGB	
Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)ccc1Cl	32581113	MOTKWZLDBJHIIS-FBCYGCLPSA-N	442.653	3.554	50	40	IHGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	35074343	YXDHFKYVKOLHSW-JAIQZWGSSA-N	436.262	3.919	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1)C(=O)NC1CC1	408708338	PGDZLYXBGTXQTB-UFFVCSGVSA-N	435.709	3.575	50	40	IHGB	
CCC1=C[C@](C)(CC)N2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32	9427269	BAULIXJSKKJMDG-UIOOFZCWSA-N	443.503	3.951	50	40	IHGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cc(C)cc(C)c3)C3=C2C(=O)CCC3)c2ccccc21	13567755	OXMVWAXKMYGGBB-MUUNZHRXSA-N	448.526	3.742	50	40	IHGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2)cc1	19956581	PRRCTEORGZOWLG-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1	226334406	UXVXHXGHVYCYBO-XBXARRHUSA-N	426.108	3.794	50	40	IHGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc(F)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1	639194	YIKDONVKZLTBFM-OALUTQOASA-N	426.469	3.505	50	40	IHGB	
Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OCCC(C)C)cc3)C2=O)cc1Cl	2656270	OZYZUFHJLOIBFW-FQEVSTJZSA-N	443.931	3.640	50	40	IHGB	
Cc1c(/C=N/NC(=O)c2cccc(COc3ccc(Br)cc3)c2)cnn1C	2754329	RENDXFNPJXEXGT-SSDVNMTOSA-N	427.302	3.834	50	40	IHGB	
Cc1noc(CSc2ccccc2C(=O)NNC(=O)c2ccc(Br)cc2)n1	12982736	RJEQWSQLOJOGLR-UHFFFAOYSA-N	447.314	3.508	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1	16162391	QSWKRGJSTSJSDR-PCLIKHOPSA-N	439.512	3.734	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](CCI)CC(=O)OCc1ccccc1	224682551	LIKUDQMPCDIZIS-AWEZNQCLSA-N	433.286	3.838	50	40	IHGB	
C#CCOc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)cc1OC	408818144	NCYZZNIEKMRWOH-LDADJPATSA-N	439.309	3.736	50	40	IHGB	
C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br	8856256	YWRJLPHBOXBCQE-WTJYETQFSA-N	446.345	3.896	50	40	IHGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	59383010	CLQIETCJIKLOCK-FYJGNVAPSA-N	433.942	3.747	50	40	IHGB	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1	68774636	FLJJSGXAFYKXIX-UHFFFAOYSA-N	427.448	3.637	50	40	IHGB	
COCc1cc(C)n(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(=O)c1C#N	98087310	UCTUXQCPTDHHIG-CCVNUDIWSA-N	438.487	3.632	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408708814	TYFZYQMERMZPHC-LVCXCXRVSA-N	431.334	3.866	50	40	IHGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1O	408851044	UZCAWPLZISNHQB-UWVJOHFNSA-N	434.202	3.582	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccccc1C(=O)O	408880716	KNWGZEJHRVLYME-GHRIWEEISA-N	448.456	3.698	50	40	IHGB	
O=C(N/N=C/c1cccnc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408972940	HYTKTQWHBYDDMN-RGXRWQALSA-N	430.533	3.662	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1)c1ccccc1	408976647	BMMHUTLAMXURSK-IERINAHZSA-N	427.501	3.810	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409076520	BEDAVHBQPZDKFN-PGGKNCGUSA-N	441.827	3.589	50	40	IHGB	
Cc1cc(O)nc(Sc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2[N+](=O)[O-])n1	409093890	BMKMDTRCGGJEJV-XNTDXEJSSA-N	439.497	3.906	50	40	IHGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1cccc(Br)c1	409142622	LCGSVNOFPKUULG-GDNBJRDFSA-N	430.277	3.970	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CCC)cc2)c(OC)c1	8717179	MCIGAYQUVAHCJC-XSFVSMFZSA-N	434.492	3.841	50	40	IHGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC	96477453	CKOSQJJHAOBYPW-MXAYSNPKSA-N	425.872	3.991	50	40	IHGB	
Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1C	408708120	OFWSFTMWVVIZAJ-SSDVNMTOSA-N	429.318	3.538	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1C	409020141	MEOJPZNFUOVSMF-VULFUBBASA-N	435.455	3.924	50	40	IHGB	
CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)[C@H](Br)C(=O)c1ccccc1	1597649	YHUVJTGGAOGAAZ-LJQANCHMSA-N	447.325	3.988	50	40	IHGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccc(Cl)cc4)c(=O)c23)C1	9970886	YJOBVACBSWDLKJ-RNLJWTIUSA-N	428.945	3.948	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1C	15225897	XOTPGPQOAUNLDT-ZHZULCJRSA-N	442.519	3.663	50	40	IHGB	
COc1ccc(CCNC(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1OC	102726192	QKVJGTNRBPVIQY-ZLGUVYLKSA-N	438.362	3.521	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccccc1C#N	408968775	ZAKAEAGCXYSTOA-CCVNUDIWSA-N	428.423	3.921	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@H]1c1cccc(Br)c1	409306245	ZEXSSRIGJXMYRP-INIZCTEOSA-N	448.386	3.924	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1	409322582	JXHRAOKWVAASFW-SFHVURJKSA-N	449.532	3.801	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2F)c2ccccc2C)cc1	16309484	VYSYFBNGLIJPPY-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)c12	32870423	ZQTPWOYAKJLKGP-CQSZACIVSA-N	434.427	3.566	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	33793064	CLWYBYVWTSUVFO-NBVRZTHBSA-N	443.459	3.964	50	40	IHGB	
COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccc(S(C)(=O)=O)cc3s2)ccc1O	41120812	AZVHXTVRJVAWJK-KPKJPENVSA-N	429.479	3.609	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408677653	UDHRTVGOYTVLCO-LPYMAVHISA-N	432.318	3.830	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C)cc1	408923684	ZXESKMGZXPOSBT-FYJGNVAPSA-N	428.341	3.608	50	40	IHGB	
CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1Br	409201579	WKTZSBXFPQZCSL-LRQZKABGSA-N	436.350	3.506	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)ccc1OC	409310002	OZZGGOXNPOTLOC-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1	409324576	TYLJRMVESOWDQH-SFHVURJKSA-N	449.532	3.801	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1C	1101270	DRKIOSMPGBYOEH-UVHMKAGCSA-N	432.455	3.964	50	40	IHGB	
Cn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccccc43)c(-c3ccccc3)nc12	9015447	JJQUCKVQRUIAKO-UHFFFAOYSA-N	434.459	3.579	50	40	IHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN(C)c3ccccc3)cc2)cc1	15133421	VTKOZLUPGGFHKK-UHFFFAOYSA-N	425.510	3.667	50	40	IHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCCc3ccccc3)c2C)c(C)c1	58914106	ROUZGUVVOUODSO-QRQIAZFYSA-N	430.552	3.910	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OC)c(I)c2)cc1	408822787	MCVODMSIOQLBCL-DHDCSXOGSA-N	448.260	3.532	50	40	IHGB	
O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)c1	15945159	GAMJDNOZNSAGBN-FBHDLOMBSA-N	429.226	3.877	50	40	IHGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)[C@@H](Br)C2=O	16041437	AVBXBGUDQFSJRL-XZJROXQQSA-N	430.140	3.942	50	40	IHGB	biogenic
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC)cc3OCC)[C@H]2C1	19851587	GIBZLEFMKPPHRD-JTHBVZDNSA-N	431.540	3.619	50	40	IHGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1	408973831	VNWAXXLJHVAZEA-CVKSISIWSA-N	447.491	3.680	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409011135	MJDAOVNYPADXNP-WGARJPEWSA-N	435.455	3.924	50	40	IHGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	409107486	WCKQDBPINRXBSG-YDZHTSKRSA-N	438.440	3.722	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1Cl	409337229	XIODXUMRWMZLBD-MRXNPFEDSA-N	441.940	3.737	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1C	9464334	UUQMSEZFQCSXED-XDHOZWIPSA-N	445.527	3.985	50	40	IHGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1	30742855	YGEHNFHFYVWIQM-QRVIBDJDSA-N	439.541	3.533	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc2ccccc12	408852335	SMUIPSDPWMJVAW-LPYMAVHISA-N	428.286	3.796	50	40	IHGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cccc(I)c2)cc1OC	408896456	YPEYHURPPOWCBK-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(N)=O	409211897	KQGKVGFDELONPY-ZMFRSBBQSA-N	431.448	3.613	50	40	IHGB	
Cn1cnnc1SCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	9191494	DPSMYULNYSRWOE-ZMOGYAJESA-N	431.521	3.790	50	40	IHGB	
Cc1cccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(N)=O)c1	11690298	FTUNTUKIIAQLCQ-PBEQFFAXSA-N	442.338	3.669	50	40	IHGB	
Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	13615311	PYYMDDVHCVVEMF-JTQLQIEISA-N	444.702	3.509	50	40	IHGB	
CCOc1cc(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1O	409015560	CAOPGIPKRUCHHK-KSEXSDGBSA-N	444.285	3.631	50	40	IHGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	409197071	VGDMVCNHDVQCJG-YLBMQYERSA-N	448.567	3.633	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	3206757	JVDUXWHDOMDRMN-XFTPPKQVSA-N	445.431	3.986	50	40	IHGB	
CN(Cc1ccccc1NCC(=O)NNC(=O)c1ccc(Cl)cc1)C1CCCCC1	6831907	UFYSBNUYKFZYHM-UHFFFAOYSA-N	428.964	3.978	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)c1	8811069	ZCJSXTFTIXTFFY-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)c2C)cc1	8811071	JGBLFQYKMPYVMU-AFUMVMLFSA-N	435.480	3.662	50	40	IHGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cc[n+]([O-])cc1	9670451	ZPGYPUAEDJJMFC-VULFUBBASA-N	443.381	3.563	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl	12857194	UVZMVZFWXGCYPH-MRXNPFEDSA-N	437.279	3.738	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CN(Cc3ccccc3)CC=C12	14920685	UYJATSFXZGLALP-PKTZIBPZSA-N	436.475	3.520	50	40	IHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408638543	RQAUZZCDYCLAJV-KDOFPFPSSA-N	448.834	3.510	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O	408768642	IGMJKGMOSAJIJN-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OC)c1	1055698	PAPHVKDQYFJZOA-CVKSISIWSA-N	448.475	3.761	50	40	IHGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1OCCOc1ccccc1	3343992	GDDJGZFFQKOHKD-NHFJDJAPSA-N	445.519	3.745	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1	9381878	WCUVVKRZVKGFAL-UHFFFAOYSA-N	432.571	3.701	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC)cc3OCC)[C@@H]2C1	16034481	GIBZLEFMKPPHRD-FYYLOGMGSA-N	431.540	3.619	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1Cl	408773647	WEGAFLZHURQVTB-YDZHTSKRSA-N	429.929	3.718	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(Cl)cc1	408781683	FCVAMDAXXHHRTE-HZHRSRAPSA-N	429.929	3.800	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OC	408813027	CWNAZAYUZOILFO-UKWGHVSLSA-N	448.229	3.885	50	40	IHGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	409043160	QCFFTLJVJLUSCA-CHKFWDNQSA-N	446.139	3.899	50	40	IHGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	779963	OJVNNCYXTIAJKK-UFFVCSGVSA-N	429.230	3.963	50	40	IHGB	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)c1nn(-c2ccccc2)c(N)c1C#N	20027172	XCNWXEAELBCSNI-HMMYKYKNSA-N	447.502	3.775	50	40	IHGB	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C[C@@H]4CCCO4)C(=O)C(C#N)=C3C)o2)cc1	101337210	QFSILWILFSVOCZ-JLDPKJTDSA-N	430.460	3.920	50	40	IHGB	
CCCOc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C	408963632	HZHLMVXCWCKXBU-AUEUWSLNSA-N	439.556	3.844	50	40	IHGB	
C[C@@H](C(=O)N/N=C/c1cccs1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	409028077	JQIDEAUGDPLMIQ-PZBNQXIHSA-N	443.550	3.845	50	40	IHGB	
COc1cccc(CC(=O)N/N=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)c1	409186668	GHJMLFMVBPZXFH-YSMPRRRNSA-N	448.475	3.674	50	40	IHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)c([N+](=O)[O-])c1	409359844	CEAPDWTXVBWOLD-YDZHTSKRSA-N	439.424	3.573	50	40	IHGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(SCC(=O)NC(C)C)N1	4082996	AMXMHJFVIXPUOU-JOCHJYFZSA-N	447.564	3.674	50	40	IHGB	
N#CC1=C(SCC(=O)Nc2nc3ccccc3s2)NC(=O)[C@@H](C#N)C12CCCCC2	8740773	QTSFDKRPYBHZTI-CYBMUJFWSA-N	437.550	3.923	50	40	IHGB	
O=C(COc1ccc2nccnc2c1)N/N=C(/c1ccc(O)cc1)c1ccc(Cl)cc1	9553972	PDNMGORFTLSWRB-WEMUOSSPSA-N	432.867	3.936	50	40	IHGB	
COc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1OCCC(C)C	23159541	JNIJCDIGEAQVNA-UHFFFAOYSA-N	435.864	3.757	50	40	IHGB	
Cc1cc(C)c2nc(NC(=O)COC(=O)/C(C#N)=C\c3ccc4c(c3)OCO4)sc2c1	33654250	OQBGQHWUCBAHEX-CHHVJCJISA-N	435.461	3.731	50	40	IHGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1	408608447	HLJPVGDKODVHPQ-NUGSKGIGSA-N	440.714	3.955	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)OC	408820566	YQWSEYHTSILRPG-ZSOIEALJSA-N	432.835	3.975	50	40	IHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409157070	PUTXPCFOTAZKLJ-IYAOEYEUSA-N	431.467	3.908	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409319027	ZEKXWNJRRACSJL-LJQANCHMSA-N	437.952	3.997	50	40	IHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O	1477805	NNDIPOLQLRYWEW-MFKUBSTISA-N	428.517	3.937	50	40	IHGB	
O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NNC(=O)c1cccs1	9157859	HHHFFDMLIRLWOF-UHFFFAOYSA-N	435.534	3.988	50	40	IHGB	
CCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	9210009	AIOKZCQQQSCRMZ-QHCPKHFHSA-N	431.883	3.545	50	40	IHGB	
C#CCN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21	13894322	QDOUYAYBKVZPBZ-XTCLZLMSSA-N	446.304	3.645	50	40	IHGB	
COc1cc2c(cc1OC)[C@@H](CNC(=O)OCc1ccccc1)N(C(=O)[C@@H](C)Cl)CC2	13997998	KRHJSZBJDFMOGU-DNVCBOLYSA-N	446.931	3.683	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(OC)cc3)c2C)cc1	408786764	NHRPUQHHKAEOHK-YSMPRRRNSA-N	449.507	3.809	50	40	IHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1)C(=O)Nc1ccccc1	408823509	FPXNYJSNIYVYMO-PTNGSMBKSA-N	448.866	3.734	50	40	IHGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccc(C)cc2)cc1	408921911	LHVRRJUJYJKUST-HAVVHWLPSA-N	431.558	3.737	50	40	IHGB	
CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1Br	409201576	WKTZSBXFPQZCSL-HTRKUNOGSA-N	436.350	3.506	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1O[C@@H](C)C(=O)N(C)C	6881503	SCJDGUOATUXSQP-WAVPEIAESA-N	427.545	3.543	50	40	IHGB	
Cc1nnc(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)n1Cc1ccccc1	22987191	AMUFFZJZLWIRJN-UHFFFAOYSA-N	430.537	3.617	50	40	IHGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	33705063	BWKAWEYYYXUQFE-JAIQZWGSSA-N	436.262	3.919	50	40	IHGB	
O=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccc(Cl)c(Cl)c1	109229282	JXYCLPIXBWOMTO-UHFFFAOYSA-N	437.335	3.527	50	40	IHGB	
C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	255990747	NSZFIOJKHRFXHS-HNAYVOBHSA-N	430.457	3.999	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408746342	YNBPYOMYFFLDDM-DHDCSXOGSA-N	429.270	3.855	50	40	IHGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)cc1	9303157	BVGQYXGICJIQTB-GHRIWEEISA-N	426.432	3.612	50	40	IHGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc2cccnc12	408764158	QHIIZTWAUILTTJ-FSJBWODESA-N	428.286	3.925	50	40	IHGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)cc1	409007203	VGKGXWZQQHITDP-WGOQTCKBSA-N	431.492	3.557	50	40	IHGB	
O=C(CCCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12	2256489	IBLVMMCXHDAIRI-DPCVLPDWSA-N	428.496	3.810	50	40	IHGB	
Cc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(C)C)cc1	10042620	BWTQSFNZWJQCBG-RVWJGDDESA-N	447.491	3.858	50	40	IHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C(\C)c2ccccc2O)cc1OC	13597259	SHXADTJYKPNLDS-CVKSISIWSA-N	433.464	3.816	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccc(F)cc3)nc12	13769870	IFFYWZJDOPRWKQ-DTQAZKPQSA-N	432.455	3.900	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2CC=C)c(OC)c1	27563907	FBEWFDPZTRCGKV-XSFVSMFZSA-N	432.476	3.617	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21	46084958	XYFIYCGENLLJCH-FVDSYPCUSA-N	425.488	3.861	50	40	IHGB	
C=CCNC(=O)[C@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	98046358	MKRSUBRVCDTKCJ-WQHBLYJGSA-N	444.005	3.974	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br	408817062	VEKWJASEPFSGCM-MYHJQVBBSA-N	449.345	3.993	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)cc1	408823777	OVXNTXJCUBVSBO-NVNXTCNLSA-N	431.286	3.698	50	40	IHGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408965171	UGXVSPSTVADGPS-GZIVZEMBSA-N	445.191	3.695	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(OC)cc3)c2C)c1	408968236	UWXCGFNETKHJQQ-YSMPRRRNSA-N	449.507	3.809	50	40	IHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1	409193019	AGENHYLBZSGYCA-XHOYQDIRSA-N	429.476	3.910	50	40	IHGB	
CCOC(=O)c1ccccc1OCc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC	1307799	RICZBXOIZLHGBA-CVKSISIWSA-N	433.464	3.610	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	1445366	PQWZXWASYIOOEQ-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1O	30774144	GWFRJCYMWKFDLX-OYKKKHCWSA-N	435.436	3.895	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408964120	ORVWEBSXHHQEEG-XDEFOSFOSA-N	437.540	3.620	50	40	IHGB	
CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/NC(=O)c3ccncc3)ccc12	978308	RUIFMKATGRPVSI-AUEPDCJTSA-N	444.900	3.849	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1089086	IPNCIPONZLOQGH-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
Cc1ccc([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	20094993	HHGCBYHATNQVIL-DNQXCXABSA-N	443.528	3.729	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(F)cc1	20232493	JMVFZPJYJZOLOC-KOEQRZSOSA-N	439.512	3.946	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1	59248717	WJTLGXLHDNBVOX-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)Cc2ccccc2)cc1	107726413	WJIHENXZORSINY-PCLIKHOPSA-N	435.549	3.645	50	40	IHGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(I)c1	226334370	FCJJXPWCQBQKMU-QHHAFSJGSA-N	446.647	3.666	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	409182689	NLZKCPJWLFFKOT-GZIVZEMBSA-N	445.686	3.971	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)cc1OC	9360640	JLPHNZOVTFHBIP-FQEVSTJZSA-N	445.479	3.661	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1	9379963	ZOUWBEHQKNJNRH-HAHDFKILSA-N	439.541	3.615	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1	9381866	YXKXRWNNJLDNQA-UHFFFAOYSA-N	432.571	3.701	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1OC	28217852	NDMQTBQLIZTMBD-WSDLNYQXSA-N	449.301	3.804	50	40	IHGB	
COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21	46085018	DQWABTFQYUIVCN-VYIQYICTSA-N	449.894	3.795	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	59146768	QTHMXRDTTKRZQW-AFUMVMLFSA-N	434.448	3.745	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408609072	JHTDBVHTVBZKBQ-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1C	408981727	WMDCYSTYNPXUTK-LEEXQRRLSA-N	441.528	3.564	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	1476208	WHIRVRUBGDETFA-OAQYLSRUSA-N	447.878	3.805	50	40	IHGB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)c2ccccc2)cc1	17094842	ZVKBHGQEWRJVJR-XLNRJJMWSA-N	426.476	3.655	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	18256338	JLNQICVXYLBYEA-PYHGIMPFSA-N	444.167	3.595	50	40	IHGB	
CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1	19828927	JGSAWQLEWQVDMG-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1	19948955	JIMFOJMURLHCBS-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	23109473	HGJYITUXUQFTKW-UHFFFAOYSA-N	449.816	3.644	50	40	IHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(Cl)c1	39986463	CDIFRHCLBOXDHK-HAHDFKILSA-N	433.961	3.814	50	40	IHGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1C	40144583	UYXGJNQVVZSUTQ-QGZVFWFLSA-N	427.570	3.549	50	40	IHGB	
NNC(=O)c1cc(Br)c(-c2cc3ccccc3oc2=O)c(Br)c1	226357450	KRYRCABEZNGEQG-UHFFFAOYSA-N	438.075	3.589	50	40	IHGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	408797222	QLXIFSSIFGZTKI-NTEUORMPSA-N	427.254	3.721	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409189157	JBWPXRLEUJHEQP-LSHDLFTRSA-N	425.268	3.708	50	40	IHGB	
CCOc1ccc(N2C(=O)CS/C2=N/NC(=O)COc2ccc3ccccc3c2)cc1	6601233	CGCVYHYEAGBORB-WJTDDFOZSA-N	435.505	3.785	50	40	IHGB	
O=C(Cn1cc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21)Nc1ccc(F)cc1	9311059	GYXQAYCROAWTRW-LGJNPRDNSA-N	430.439	3.889	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc(OC)c1O	9662266	NYZZGPBIOOCNRS-VULFUBBASA-N	428.448	3.784	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1	19948344	YUZVWIBUQZIVHO-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	20499740	WHOJBHGQPVVLHW-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(OC)c1	33929305	PSQWJFTWKVSPNR-UKTHLTGXSA-N	434.233	3.854	50	40	IHGB	
CC(C)CCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	100084235	MAIWVGFYOWBXDN-RELWKKBWSA-N	430.302	3.682	50	40	IHGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCC(=O)O	150037537	XMIIUBPCAOPRNP-VGOFMYFVSA-N	435.217	3.827	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408999928	UONPRMHOYSFLNG-OINMWHHXSA-N	429.476	3.623	50	40	IHGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1	8386140	QKEOTWYXMKYSRG-OEAKJJBVSA-N	432.318	3.911	50	40	IHGB	
CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	9886231	FGWLZBTXFWJHDH-JXHYGPBUSA-N	448.523	3.856	50	40	IHGB	
O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCCCCC2	13010307	CYXHDTNPPKUQFI-UHFFFAOYSA-N	448.488	3.929	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1	19861391	IZKBEJOBGRNTSN-WGOQTCKBSA-N	426.992	3.905	50	40	IHGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1	27528009	DMFJTHDVDMHAML-PXLXIMEGSA-N	432.567	3.604	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1C#N	108282041	LPZRXQZJBZMUDI-JFLMPSFJSA-N	442.475	3.868	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]2[C@H]4CBr)cc1	257353257	QEFDBEIHKLONII-LSGIKSAJSA-N	430.320	3.746	50	40	IHGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(Br)c1	408603927	HTHBTZAOYULQRQ-HNNXBMFYSA-N	433.331	3.706	50	40	IHGB	
O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])ccc1O	408866075	DHYFFXDNLJLNAS-UUYOSTAYSA-N	436.380	3.552	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	2426317	XGIHPKJISZVKOW-XMHGGMMESA-N	447.447	3.964	50	40	IHGB	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2cc(Br)ccc2o1	9259520	ALDUIOTZJMFDIX-GXHLCREISA-N	432.186	3.596	50	40	IHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br	16157524	OHRAMIYECULDDG-SSDVNMTOSA-N	427.254	3.830	50	40	IHGB	
COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br	408819641	YHAXCNRBLDTWRA-LICLKQGHSA-N	445.313	3.706	50	40	IHGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1	408995160	AGJBYUGAVFNLJL-MFKUBSTISA-N	430.464	3.670	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2c(C)cccc2C)c(C)c1	409019057	VOHWDJQHIHBDTP-RVWJGDDESA-N	439.556	3.680	50	40	IHGB	
Cc1cc(NCC(=O)N/N=C/c2ccc(Cl)cc2)ccc1I	1081934	PNRUOMRDDHQSBR-AWQFTUOYSA-N	427.673	3.815	50	40	IHGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc(OC)c1OC	3146154	FKOJIBFYRGHCER-WGOQTCKBSA-N	448.475	3.624	50	40	IHGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(Cl)cc2)c1	6250952	JDBRMZQGVSUIEM-OEAKJJBVSA-N	443.912	3.913	50	40	IHGB	
N#CC(C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1	9057272	OUVCGYJJKRCJGJ-JOCHJYFZSA-N	434.455	3.736	50	40	IHGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1	13562693	BZSJVAFKWWXWQA-UVHMKAGCSA-N	434.418	3.727	50	40	IHGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1	21969028	BHOZPAYDSYLHIX-UHFFFAOYSA-N	428.467	3.741	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(Br)c1O	35316342	RPXQSUIBFDBVFC-OAHLLOKOSA-N	439.269	3.772	50	40	IHGB	
CC(C)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)CC1	96269425	WXFDHSDCJHWVAW-UHFFFAOYSA-N	448.976	3.731	50	40	IHGB	
CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc(Br)cc1	254612366	QUYKTYWESGNQKK-UHFFFAOYSA-N	444.358	3.877	50	40	IHGB	
O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccc(Cl)cc1	408724361	CWCANZDOWFTQAP-UHFFFAOYSA-N	430.944	3.654	50	40	IHGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	408756584	WJNMCCFWLWMRJP-DJKKODMXSA-N	440.091	3.901	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)C(C)C)cc1	408759542	GTESBQYYSDNIOX-ZDXRRBIGSA-N	449.576	3.700	50	40	IHGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1I	408853151	MKJYZKGNWMCXKH-MTJSOVHGSA-N	444.228	3.813	50	40	IHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1OC	408912763	RIFOGUKJHHDWAP-GGVNPZCGSA-N	441.528	3.682	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C	409251166	OQPHSZHSCHUHFX-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	12651406	AJJNFFISOWVGKU-WSDLNYQXSA-N	444.904	3.823	50	40	IHGB	
Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	12788994	CPZXKLOFRAKIEE-UHFFFAOYSA-N	443.388	3.711	50	40	IHGB	
O=C1N=C(NNC(=O)c2ccncc2)S/C1=C\c1cccc(OCc2ccccc2)c1	23873440	BZVXTDPFCPQPHU-ZHZULCJRSA-N	430.489	3.566	50	40	IHGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	28215470	HONLRBCTKANNGS-STPJHCLOSA-N	446.463	3.615	50	40	IHGB	
COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1O	408691940	ZFZRHCASHCIBBB-MLPAPPSSSA-N	431.233	3.962	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2cccc(Br)c2)cc1OC	408891747	URBFOVKJVPDIBZ-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)cc1C	409111425	CGJAYODVRDREFP-ROTLSHHCSA-N	436.497	3.715	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1	1437557	FLJYEDUUIGBVAI-SSDVNMTOSA-N	429.270	3.846	50	40	IHGB	
Cc1ccccc1N1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=C(\C#N)C(N)=O	2377454	VUFSXISOAVVUSS-FABDANFUSA-N	442.338	3.669	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1	9283608	JLMPPQMGSGLSQU-CIAFOILYSA-N	426.325	3.542	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Br	10060114	HGZJXWABDFLOGP-CAOOACKPSA-N	427.052	3.884	50	40	IHGB	
CCn1ncc2c(C(=O)NNC(=O)c3ccc(Cl)cc3)cc(-c3cccs3)nc21	14223674	JZZXQTHKIJBKDJ-UHFFFAOYSA-N	425.901	3.908	50	40	IHGB	
CN(C)C(=O)[C@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	100834769	TVONSFUYJGNUKO-MKCWBWRRSA-N	431.994	3.760	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	408969071	GUAWCMXPFCFDFU-DNTJNYDQSA-N	445.100	3.853	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1O[C@H](C)C(=O)O	409010727	DHFRNFPDYZRPNX-OJLMPMFISA-N	445.269	3.855	50	40	IHGB	
O=C(CNC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)Nc1ccc(F)c(Cl)c1	1754277	WSNTZKFVNFEHHF-UHFFFAOYSA-N	448.669	3.760	50	40	IHGB	
O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1	2022614	WUHIFOXZYIQZFP-OAQYLSRUSA-N	436.420	3.744	50	40	IHGB	
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CCl)N2CCN(c3ccccc3)CC2)cc1	22665483	VXQNZCPFLNRVGG-HSZRJFAPSA-N	443.035	3.997	50	40	IHGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Cc1cc(C)cc(C)c1	408867238	KMBORXKCQYHUMZ-FRKPEAEDSA-N	446.288	3.900	50	40	IHGB	
CC(C)c1ccc(-c2csc(NC(=S)N[C@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1	575425731	HVSQAXQBPKMBLX-HIFRSBDPSA-N	430.020	3.624	50	40	IHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccccc1C	4207647	IODMSELJZWIOGH-WSDLNYQXSA-N	436.306	3.616	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC#N	6600543	VMTNCXSYUWFFOW-QFIPXVFZSA-N	427.464	3.700	50	40	IHGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	8861127	NINIGBVQALEYOC-NTEUORMPSA-N	432.217	3.623	50	40	IHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O	9553695	KYANCPHBZBILIT-OEAKJJBVSA-N	449.960	3.519	50	40	IHGB	
CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)C1	16039425	LAZSOEDTQBWZFT-CZSSEVHHSA-N	444.579	3.954	50	40	IHGB	
O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1	17596219	CBFCKSKMLKSNJJ-UHFFFAOYSA-N	430.444	3.818	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(I)cc2)cc1OCC	30774227	RREIKABHPLKKKF-NDENLUEZSA-N	438.265	3.853	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1I	408533482	SKWKCETUKXNTJF-LSFURLLWSA-N	447.198	3.872	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1Nc1ccccc1C	408708402	PUYQNWVUKTUAIB-DHRITJCHSA-N	446.463	3.565	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	408790011	PZAUKSJGYACJFK-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1	408813088	DYVZRKGJWDYVTL-NSIKDUERSA-N	435.263	3.689	50	40	IHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408851188	JJJFABKFKMFCNL-PTNGSMBKSA-N	430.302	3.987	50	40	IHGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)ccc1OCc1ccccc1	409304184	QHVYOJUMUNRVHE-YSMPRRRNSA-N	448.475	3.892	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)[C@@H]1COc2ccccc2O1	2358456	WTQWFKCPCZHMSR-IBUCALKDSA-N	427.800	3.798	50	40	IHGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCC(=O)O	34719662	OJZMAHPFZUOBDY-NSIKDUERSA-N	432.226	3.683	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1O	408543348	QJRDNTLHZHAXEX-MLPAPPSSSA-N	431.242	3.797	50	40	IHGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)OCCO2	408720186	VPAQPYHTDOOVBY-FYJGNVAPSA-N	435.343	3.994	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Br)c1O	408815811	VBVBRFNZDDDRPB-NVNXTCNLSA-N	431.286	3.785	50	40	IHGB	
O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Br)c1	1421643	KNNCZQPUYTYSGR-LSHDLFTRSA-N	428.208	3.947	50	40	IHGB	
C[C@@H](Br)c1nc2ccccc2c(=O)n1CCCN1C(=O)c2ccccc2C1=O	4110036	BTDBWDAYKPFCEL-CYBMUJFWSA-N	440.297	3.539	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	107907151	ANUZALOYEVBWMN-NBVRZTHBSA-N	443.459	3.964	50	40	IHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408612982	YBTNODAAIQVBJZ-MZJWZYIUSA-N	439.874	3.825	50	40	IHGB	
O=C(N/N=C/c1ccccc1F)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br	1089098	CODDRCIGSPQERI-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1ccc(Cl)cc1Cl	3113486	PLXYCVKHKQPWRG-ODCIPOBUSA-N	429.101	3.636	50	40	IHGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)CO/N=C/c2ccccc2O)cc1	9090315	YGYCGQAMLWVKPA-UQDLVMFPSA-N	430.464	3.535	50	40	IHGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1c(C)cc(C)cc1C	13898267	MHLPCHAFAQPKQP-KPKJPENVSA-N	444.347	3.917	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1	16292540	CEARCPNHAHIZBH-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851615	VIJVHFYQMCGOQJ-NFBKMPQASA-N	431.540	3.618	50	40	IHGB	
COc1cccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)c1OC	59459326	YZFYZIMNDKXRBS-FSJBWODESA-N	447.329	3.874	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1OCC	59516298	MTCUJCJEZQVHMX-YDZHTSKRSA-N	433.892	3.625	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nnc1-c1ccc(Cl)cc1	96363687	ZNQCPSCFXYLCNH-LPYMAVHISA-N	429.933	3.957	50	40	IHGB	
N#CC1=C(SC[C@H](Br)CBr)NC(=O)[C@@H](C#N)C12CCCCC2	102413750	WBACGTZMEVDTEY-GHMZBOCLSA-N	447.196	3.833	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408803104	LGPAKVDVQJDYTI-XMHGGMMESA-N	432.480	3.966	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3OC)c2C)c(C)c1	408933054	HBHSBZZCHSGCSX-WGARJPEWSA-N	449.507	3.727	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OC	409336806	UVGXOCDLPLBQGP-QFEZKATASA-N	434.448	3.745	50	40	IHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccccn1	1478420	LYSZAYHNJJUXIO-DHRITJCHSA-N	449.923	3.677	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)c(Cl)c1	15231446	FJZCDUGKQOLQHY-YSURURNPSA-N	433.295	3.760	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1	33653330	ANKVNMBYZQCXMB-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1Br	35494395	KVYZJXUZDCPGSM-JAIQZWGSSA-N	439.151	3.970	50	40	IHGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914618	FXFZKZMABXFJIM-JJFYIABZSA-N	426.816	3.905	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1	408603392	GKUZHFYUMUVQEK-FQEVSTJZSA-N	432.505	3.780	50	40	IHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1	408851406	YUVQSCSMACGEQB-QINSGFPZSA-N	441.896	3.957	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])o1	987205	TYGPQYCWMDXASU-ZDUSSCGKSA-N	428.202	3.559	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccnc1	1306837	BSCIOTODHQWYER-WPWMEQJKSA-N	443.532	3.722	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1	1326520	RVYLAHYEGFRGPB-XJKSGUPXSA-N	433.390	3.520	50	40	IHGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1ccncc1	1478410	PMJIKQAFUAYTTF-DHRITJCHSA-N	449.923	3.677	50	40	IHGB	
CN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2cc(Br)ccc21	2329637	SIRMMWINTUIEGU-QQTULTPQSA-N	437.297	3.511	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12	9381726	CCVSLVRAPFHQHR-CQSZACIVSA-N	444.582	3.782	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	13567619	ZOLZYGSUZPYDRE-RUZDIDTESA-N	428.467	3.873	50	40	IHGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	14166205	IUMKGWYKJZVQQB-FOKLQQMPSA-N	433.961	3.627	50	40	IHGB	
CCCc1c(/C=N/NC(=O)c2cc3cc(F)ccc3[nH]2)c(OC)c2c(c1OC)OCO2	15086066	JUKHKGUDSKYEQV-YSURURNPSA-N	427.432	3.769	50	40	IHGB	
Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Br	15133415	LWFLIBOPRYZXIU-UHFFFAOYSA-N	437.091	3.606	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1	409006485	OEJOSQVJEDVJFZ-PCLIKHOPSA-N	425.916	3.907	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2CN(C(=O)OCc3ccccc3)CC=C12	6446601	SREXAAQNQAVRHK-PZJWPPBQSA-N	441.516	3.810	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl	408542767	NTYRRLBXXDSISX-ACAGNQJTSA-N	449.246	3.789	50	40	IHGB	
O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccnc1	408861700	FVTLQUUJTFHHBV-ODCIPOBUSA-N	438.296	3.593	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1C#N	409136893	VKQAWCVTKSTPAY-XMMPIXPASA-N	440.503	3.876	50	40	IHGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1NC(=O)c1ccccc1	409211884	KOEIKNQGNICUMQ-JFLMPSFJSA-N	441.491	3.566	50	40	IHGB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccc(N(CCCl)CCCl)cc1	4773950	ZCVIUVMLBJLDOY-NRFANRHFSA-N	439.383	3.940	50	40	IHGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)cc1	32855729	YVJHBDAFTNUCQI-RVDMUPIBSA-N	449.902	3.567	50	40	IHGB	
CCOC(=O)N1CC=C2[C@@H](C1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N	1073868	WATOUHJMGJOHBB-AEFFLSMTSA-N	441.413	3.587	50	40	IHGB	
CCCc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(C)cc3)c3ccccc31)C(C#N)=C(N)O2	9209450	OCXCAMSCNHQMHM-VWLOTQADSA-N	425.492	3.590	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1	408963754	APZSQLZZDLVWAU-LGJNPRDNSA-N	448.410	3.957	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1	408980457	RBKKMSVRYNXSIF-PXMCARDJSA-N	449.463	3.972	50	40	IHGB	
CCOc1ccc(/C=N\NC(=O)Nc2ccccc2OC)cc1I	408905186	UWCRQKFZOXBYJG-ODLFYWEKSA-N	439.253	3.854	50	40	IHGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1OC	409125656	AITJOPWLRYVUKC-JOCHJYFZSA-N	437.540	3.643	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccncc1	1245018	DBPIUXQDSNNZHJ-WPWMEQJKSA-N	443.532	3.722	50	40	IHGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1nc2ccc(OC)cc2[nH]1	9263603	HRHNRISFVFEEIW-NTUHNPAUSA-N	442.269	3.950	50	40	IHGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)c(Br)c1	30802444	JIEVTUIAMNFJNY-YXSASFKJSA-N	439.693	3.977	50	40	IHGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc3c(c2)OCO3)sc2c1CC[C@H](C)C2	943719	XRNBGDXGKJFEAQ-PGCIDKTFSA-N	429.498	3.934	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c([N+](=O)[O-])c1	3090690	BFZXZPGMERLPMH-ZMOGYAJESA-N	448.435	3.634	50	40	IHGB	
COc1cc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3ccco3)c2)cc(OC)c1OC	17101287	SMPFMSKBGAOHJV-AFUMVMLFSA-N	437.452	3.712	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	33705296	VZBOFGLEKOBINS-SRZZPIQSSA-N	427.438	3.515	50	40	IHGB	
O=C(COc1ccccc1I)N/N=C\c1cccn1-c1ccccc1	36477506	OEWMMLFGRHVXGM-BKUYFWCQSA-N	445.260	3.611	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1ccccc1	408791113	UEVSQJXTGQIEMN-OQKWZONESA-N	425.488	3.970	50	40	IHGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965895	JPGNRIFAWCOEBV-FMCGGJTJSA-N	445.932	3.551	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC	409320334	PZFXETURZHQXEJ-OYKKKHCWSA-N	435.436	3.955	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc(OC)c1OC	1433751	DKQIRQGUHXLXJZ-LSHDLFTRSA-N	432.274	3.720	50	40	IHGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc(O)cc1	3252972	DGLWZZJRNOWKAG-CVKSISIWSA-N	440.459	3.780	50	40	IHGB	
Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NN)cc1	6142590	GNXSJPZMPRCDSV-KQWNVCNZSA-N	437.503	3.609	50	40	IHGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1C	223154205	VAUWFTVSVQYHTO-WGARJPEWSA-N	446.507	3.586	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC(=O)OC	408788354	CITLWTDLEAKWFW-OQLLNIDSSA-N	444.871	3.845	50	40	IHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I	408789609	QFSFBLZQDJGIRS-GXDHUFHOSA-N	444.228	3.554	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	2056122	VJCGSCQQAOKKQF-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1OC	2280238	OAMAKHGKPOMLPF-OEAKJJBVSA-N	439.541	3.615	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1Br	20248407	LUPDNYRYUIGMQK-DJKKODMXSA-N	438.303	3.749	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C	408591829	VKVHCLPFQUHIGP-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C	408708761	SKHBEDCQVQQBEX-FSJBWODESA-N	429.318	3.562	50	40	IHGB	
COc1cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)ccc1I	408747392	NFCMYNBHLABHMZ-NHDPSOOVSA-N	446.244	3.923	50	40	IHGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)C(C)C)cc1	408759541	GTESBQYYSDNIOX-AQPAOHHBSA-N	449.576	3.700	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)cc1Cl	408972639	UACWANQHIMPRAG-ZVHZXABRSA-N	430.936	3.609	50	40	IHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	409099786	UEUOIJOCQIHGSI-FBHDLOMBSA-N	444.241	3.745	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1OC	2204796	IGFGOFDPQQXHAY-JOCHJYFZSA-N	447.466	3.580	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	3031777	MFFCKYGXUVFZEB-BUVRLJJBSA-N	439.309	3.844	50	40	IHGB	
Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	3375639	SPHXWVGFJGFVSM-UHFFFAOYSA-N	447.882	3.892	50	40	IHGB	
O=C(CCCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39762365	NOGRODMGDCMDCD-UHFFFAOYSA-N	431.861	3.933	50	40	IHGB	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1	40159896	UXQMLHHSEXIORB-UHFFFAOYSA-N	444.491	3.573	50	40	IHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C	104779330	HJKOBYZNYDERCP-GLMVTYHNSA-N	447.322	3.737	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1C	409014964	QQCXAQXHGYVFQA-YSMPRRRNSA-N	447.491	3.881	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1	409015848	BYSHURXKDQNQEJ-WGOQTCKBSA-N	446.507	3.543	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)n1	409229097	JRXJGUJTBRVKPJ-UFFVCSGVSA-N	425.470	3.812	50	40	IHGB	
CCOC(=O)c1csc(N(NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)n1	1415205	IOVABGLMLZEKMK-UHFFFAOYSA-N	440.481	3.712	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccc2ccccc12	15231315	BYZJDVBGTJPQKH-DHRITJCHSA-N	449.454	3.775	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	34761754	ILCDWKMUXTXHFG-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(Cl)c2C)cc1	408779364	DHRAXCDVXGHHIP-YDZHTSKRSA-N	445.928	3.895	50	40	IHGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O	408951613	MAXMCOLZGFMUBP-NVNXTCNLSA-N	440.297	3.910	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc(OC(F)(F)C(F)F)c2)c(OC)c1OC	655000	MOQILLQGQKEZJH-YSURURNPSA-N	430.354	3.713	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	3277098	OZQXVZJEXAOKMD-LJQANCHMSA-N	437.521	3.804	50	40	IHGB	
COc1ccc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1Cl	32929283	XGJKPZXLUQNCAA-DICXZTSXSA-N	435.911	3.747	50	40	IHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1	38683388	OFSMNFIRHXCMEE-FQEVSTJZSA-N	432.457	3.972	50	40	IHGB	
O=C(OC(=O)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)C(F)(F)OC(F)(F)F	103544115	LVZMACBMANBCFR-UHFFFAOYSA-N	442.055	3.585	50	40	IHGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@]31C(=O)N(C)c2ccccc21	104766241	WZBHMNVAUPIXNU-VWLOTQADSA-N	427.460	3.574	50	40	IHGB	
C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CBr	118914084	JLZAWPXFXHUIRQ-CFAYZTRMSA-N	441.406	3.654	50	40	IHGB	
Cc1ccccc1CNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408708821	UAOKVGHVJVJGGC-JFLMPSFJSA-N	444.491	3.512	50	40	IHGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1O[C@H](C)C(=O)O	409017300	FQOMYHPCMIPDDJ-LNIIIOKPSA-N	448.475	3.743	50	40	IHGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC	818626	FYWZQLMWTDMGRI-INIZCTEOSA-N	433.302	3.917	50	40	IHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OCC	2249908	GGJGRDILXCEYPJ-QFIPXVFZSA-N	447.491	3.814	50	40	IHGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)cc1	10059755	BNTDHDUYWLUSDL-LPYMAVHISA-N	431.583	3.917	50	40	IHGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3cccs3)cc2)CC1	408834395	YVWWURYILWPZLQ-KOEQRZSOSA-N	434.565	3.843	50	40	IHGB	
N#CC1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1	8855077	ZJTCOUCHLSFHJV-FQEVSTJZSA-N	431.408	3.808	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(O)cc1	13896498	PCDMFMHIHVQGAR-WGOQTCKBSA-N	444.516	3.724	50	40	IHGB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	14361284	HHPVXNLLUSSHHC-OLVIXNNRSA-N	438.484	3.527	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OC	15223091	SKNJPXYEEKLIAO-JYRVWZFOSA-N	434.233	3.854	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cncc(Br)c2)o1	44950376	HBIJVULNCJZOQB-UFFVCSGVSA-N	445.229	3.785	50	40	IHGB	
COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CCl)cc3s2)cc1	96191256	FFCPJNKTHJMFFG-UHFFFAOYSA-N	449.941	3.991	50	40	IHGB	
Cc1ccc(C(O)(C(=O)NN(C(=O)CCN(C)C)c2ccccc2)c2ccc(C)cc2)cc1	8854882	MEVNXQQYALKVQJ-UHFFFAOYSA-N	445.563	3.555	50	40	IHGB	
Cc1nc(COc2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)cs1	12815151	XUWXNCWTMVKOQH-UHFFFAOYSA-N	446.326	3.868	50	40	IHGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	20214510	RAUITFOXLIJSTQ-UHFFFAOYSA-N	444.513	3.617	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)cc3)nc3ccccc3c2=O)cc1	31892787	QGCICNAEDHSSCD-QFEZKATASA-N	444.516	3.642	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(OC)c1OCC(=O)O	408850887	FOSSUMDOASTRFI-CVKSISIWSA-N	432.476	3.733	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409359819	BZJBYQFVDDUIPJ-FSJBWODESA-N	441.827	3.972	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409362224	IMMVKSRSWGBHJJ-FSJBWODESA-N	441.827	3.972	50	40	IHGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	2163690	JYEORTUPOMISHI-QGZVFWFLSA-N	431.286	3.837	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1	16292553	HEYGUWPBIBBARF-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)Nc1nnc(C2CCCCC2)s1	69351614	ZASIMYXKNFCEGE-UHFFFAOYSA-N	431.490	3.731	50	40	IHGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408566895	BIQXJZSRCUIUJP-WSDLNYQXSA-N	448.566	3.720	50	40	IHGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408789932	SRKFCCUMJZWAOA-OQLLNIDSSA-N	444.871	3.932	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)OC	408790435	WDMNPCNUZDUZTN-RIYZIHGNSA-N	430.844	3.542	50	40	IHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2	408849937	BDXJOGZTMYXNEA-NVNXTCNLSA-N	429.270	3.752	50	40	IHGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)c1	409228018	SRPVLYZDVWLSII-FOKLQQMPSA-N	438.509	3.691	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@@H]3C)=C2C#N)cc1Cl	409323848	PRTJUWQBUHAKDR-ZFWWWQNUSA-N	433.961	3.821	50	40	IHGB	
CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n12	877165	RQPBHNBLXZOOFB-UHFFFAOYSA-N	433.537	3.615	50	40	IHGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	3036394	MOIBWHAQNZHDAS-LSHDLFTRSA-N	448.266	3.925	50	40	IHGB	
CN(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	3170908	AMAHXVATQHLCAR-CVEARBPZSA-N	447.771	3.752	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC	59427833	WCXJKPUFPALDTF-CVKSISIWSA-N	429.476	3.712	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1	408586403	BRAAODRJTHDDCH-CAOOACKPSA-N	427.052	3.884	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1c(Cl)cccc1Cl	408610310	NMMHYBLRYHFSDD-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NC(N)=O	409245507	UVHZSMXCERVUFC-YVMONPNESA-N	426.679	3.949	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(OC)c1OC	871076	ALCFFISRGNWTLW-FSJBWODESA-N	425.510	3.811	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2250257	BFRSCYHNUAQBBO-HXUWFJFHSA-N	426.948	3.760	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	16790921	KMSCAPYOIJLTNC-AQTBWJFISA-N	431.452	3.507	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1	20209215	GHZFHVKYYJJYDT-SSDVNMTOSA-N	425.913	3.519	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNc3ccc(C)c(Cl)c3)C2)s1	30555363	WBQQGFRWBHZGHS-CQSZACIVSA-N	427.979	3.562	50	40	IHGB	
COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1O[C@@H](C)C(=O)O	409017302	FQOMYHPCMIPDDJ-QVMKDISWSA-N	448.475	3.743	50	40	IHGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1	409314539	LCMKTEAVBZFXCY-SFHVURJKSA-N	449.532	3.801	50	40	IHGB	
CCOC(=O)CCC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1	4577484	OGUJPWJEUFBEPG-UHFFFAOYSA-N	434.577	3.998	50	40	IHGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)c2C)c(C#N)c1C	9489288	NDXZOHJENPSBHT-LGJNPRDNSA-N	432.480	3.640	50	40	IHGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)CCC(=O)Nc3ccccc3)sc2c1	12040227	NXRHUCGUDMEWDA-UHFFFAOYSA-N	431.901	3.743	50	40	IHGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br	23382591	JMBCIVZNCXRQEW-TWWDRGBLSA-N	435.318	3.603	50	40	IHGB	
O=C(NNC(=O)c1ccccc1OCc1cn2ccccc2n1)c1ccc2ccccc2n1	32904158	KGVCNSXVHDATNR-UHFFFAOYSA-N	437.459	3.536	50	40	IHGB	
O=C(CN1CCOCC1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	59246952	HNDSUZOXWTUZEK-BRJLIKDPSA-N	445.350	3.779	50	40	IHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408802939	JJIUOSUMZSFSBY-JVVDXDAESA-N	449.086	3.581	50	40	IHGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1	409235987	DTFCPZZOUSECJK-HYARGMPZSA-N	428.514	3.836	50	40	IHGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1Br	408723561	WLPQBNGASMDCEM-AWQFTUOYSA-N	439.107	3.935	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OCC	408747001	XUAJPYTZAVKXPX-PDGQHHTCSA-N	438.480	3.972	50	40	IHGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccc([N+](=O)[O-])cc1	409227394	ZVUKBAMOEXFMQB-FMCGGJTJSA-N	439.811	3.937	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1C	16311993	QAWROTYFMSHSAU-HYARGMPZSA-N	427.551	3.711	50	40	IHGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1ccc(I)cc1	16322107	QXHPQSXMZNYYOE-ZGXHQARYSA-N	425.295	3.707	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)o1	408844810	UZLPTVRQPYVOLX-AUEPDCJTSA-N	437.447	4.257	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1Cl	408964024	LXWQVXAVCNRAKD-VULFUBBASA-N	438.915	3.523	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2)ccc1C	409011101	DPODBKYCVWAVRM-ORBAKXMTSA-N	445.947	3.717	50	40	IHGB	
Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)C(C)C)c1	409165045	RQHPXGQRRDNPCV-RMWBRQFISA-N	447.491	3.858	50	40	IHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1	864875	IZWOXWQLZGQIOZ-UHFFFAOYSA-N	430.302	3.598	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1Br	1416778	DBMLODGTHRYWFE-UFFVCSGVSA-N	433.258	3.985	50	40	IHGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(I)cc1	10118593	UMACVXFXABPKAC-RGVLZGJSSA-N	438.652	3.721	50	40	IHGB	
O=C(/C=C\c1ccco1)NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	13382208	RZSBGJLBMWVZGD-SEYXRHQNSA-N	442.500	3.844	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Oc1nc(Cl)ncc1F	15225321	MLKSXCLGLOJQDN-NUGSKGIGSA-N	445.794	3.742	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	33679824	FCOTVSBOAQUOKF-OPYAIIAOSA-N	427.430	3.941	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C	409013872	NYPISNHNQYCPMR-VULFUBBASA-N	435.455	3.924	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)n1	409243649	ZIUFJYOQNQYAAS-ZMOGYAJESA-N	436.585	3.809	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C)cc1	409368733	KDNUPQIKTVPXHV-XSFVSMFZSA-N	433.508	3.941	50	40	IHGB	
CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc(F)c2)=C1C#N	8970705	UGLDUQIDAZELSB-QGZVFWFLSA-N	425.485	3.935	50	40	IHGB	
C/C(CC(=O)Nc1cccc(C)c1)=N/NC(=O)COc1ccc(C)cc1Br	12462809	YGKCEQSRKAGHAW-HAHDFKILSA-N	432.318	3.966	50	40	IHGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)c(C)cc2nc1Cl	12701092	GYFQMRMDMLTMLZ-LJQANCHMSA-N	427.888	3.776	50	40	IHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(O)c(I)c1	408963700	OOOWMOIPYDDJNU-NKVSQWTQSA-N	448.182	3.708	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1OC	9244222	UTRTWTFYHHLURF-SFHVURJKSA-N	433.424	3.610	50	40	IHGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1	13647253	ZPIHAACPUCTXDL-JAIQZWGSSA-N	428.246	3.901	50	40	IHGB	
COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1	408604899	JBPSTGSVCDNJOF-GOSISDBHSA-N	449.482	3.910	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)o1	408974278	YGYSGWXQHKRJSM-KTZMUZOWSA-N	436.453	3.822	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1OC	409006290	IPMNYYREQIMVMI-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)cc1	409016624	VCWPQISADWAKSJ-BUVRLJJBSA-N	426.469	3.595	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1	409109380	CNUGGSLTQVGOKB-KSEXSDGBSA-N	443.872	3.719	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	1073941	KHFSFUSVTBPYKZ-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	3343012	AHECSFUYTWMVLB-UHFFFAOYSA-N	428.847	3.898	50	40	IHGB	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2CN2CCN(CC)CC2)c1C	48310133	SELJXEIPHUXSTF-ONUIUJJFSA-N	447.627	3.876	50	40	IHGB	
O=C(CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NCc1cccnc1	58914889	CDQQNKYVFVTIET-BRJLIKDPSA-N	431.279	3.805	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)cc(OC)c1OC	95532811	XBJRTORKESBLMK-VLNKIQQBSA-N	448.475	3.744	50	40	IHGB	
CCOC(=O)C(=O)CC(=O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1	102946979	QBIOHOVAXBAEJE-CHWSQXEVSA-N	440.515	3.631	50	40	IHGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1	226333736	MUMNHFLVOWWOSM-XBXARRHUSA-N	428.657	3.527	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408610927	PANWPGJPTLPIOS-NUGSKGIGSA-N	428.703	3.812	50	40	IHGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	3058936	RYNQLONSAJUIMT-YDZHTSKRSA-N	448.391	3.795	50	40	IHGB	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc(OC)c1OC	3371903	CFMHLKYHJXQOID-MFKUBSTISA-N	440.496	3.962	50	40	IHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)c1C	4494327	LKEZYIWAJMUGNH-QTCOBDOFSA-N	427.545	3.597	50	40	IHGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C1	6014852	AFBTWOXPZJLSNI-APWZRJJASA-N	437.450	3.625	50	40	IHGB	
Cc1ccc(NC(=O)C[C@@H](C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl	9849394	IQXCXHFIKORYPT-GFCCVEGCSA-N	446.891	3.681	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(I)c1O	13942527	NPMZXZOEYQSSNX-MDWZMJQESA-N	440.281	3.751	50	40	IHGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c1	58913650	ZBKBIKKYGYDNDG-VULFUBBASA-N	448.523	3.817	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408774075	OFKCXGJUEZXHEM-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	409259857	GRQMWLHXSUNDQV-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	2438693	IUTQMFQUGUWGFQ-YVEFUNNKSA-N	432.307	3.861	50	40	IHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CN2CCN(c3ccccc3)CC2)cc1	14166092	CKPMGNPMTZEQJI-NLRVBDNBSA-N	443.507	3.681	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OC	59484546	REHWKVAIJFXCLT-OVCLIPMQSA-N	448.260	3.532	50	40	IHGB	
NC(=S)NNC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl	62715879	WEURRETZZXCUGO-VMPITWQZSA-N	440.750	3.559	50	40	IHGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1-n1cccc1	408755341	UEVJZBDIWBRRHV-LPYMAVHISA-N	426.270	3.929	50	40	IHGB	
COc1cc(C=C(C#N)C#N)cc(I)c1OC(=O)c1ccccc1	2772906	BSWKZMWBVBSGHU-UHFFFAOYSA-N	430.201	3.950	50	40	IHGB	
Cc1ccc(SCc2n[nH]c3c2[C@@]2(C(=O)Nc4ccc(Cl)cc42)C(C#N)=C(N)O3)cc1	8442121	WSEJFFQSIVNZRP-QFIPXVFZSA-N	449.923	3.988	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(Br)cc1	34856126	BCKDWKPPODBKLZ-BKUYFWCQSA-N	427.258	3.841	50	40	IHGB	
Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C\c2ccco2)cc1)CCCC3	408732416	RENAZNJVKZPYIF-CFRMEGHHSA-N	432.505	3.991	50	40	IHGB	
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)CCl)N2CCN(c3ccccc3)CC2)cc1	22665487	VXQNZCPFLNRVGG-QHCPKHFHSA-N	443.035	3.997	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1C	100838338	JLNQICVXYLBYEA-LXTVHRRPSA-N	444.167	3.595	50	40	IHGB	
COc1cccc2cc(C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)oc12	409105646	JBMIGBWJIPNLQF-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	409261754	DGYOUMGJCFCBEC-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1c(O)cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1Br	1081802	CEMPDXDHLRGRIP-FOKLQQMPSA-N	428.286	3.879	50	40	IHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	1095487	RXKWQIHRFIFVKV-CPNJWEJPSA-N	434.521	3.596	50	40	IHGB	
Cc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)C[C@H](C)CC3	1326226	AHTQYVZLFVWRBD-GFCCVEGCSA-N	432.615	3.944	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc(OC)c1O	3251924	ICLWSKMDDJJPGR-FSJBWODESA-N	436.493	3.882	50	40	IHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)NC(=O)[C@@H]1C#N	9015107	UBBAFFRJHAQSEP-GCJKJVERSA-N	447.516	3.650	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)C2CCCCC2)c(C)c1	33707602	CVHZJLGRCNQHDM-UCQKPKSFSA-N	431.558	3.679	50	40	IHGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1cccc(Cl)c1	100097008	UDHJYJQVMUIEKN-FQEVSTJZSA-N	435.867	3.699	50	40	IHGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(Cl)cc1	408858536	PYEDIURAPYOARF-GRSHGNNSSA-N	427.686	3.688	50	40	IHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)cc1	2202005	HBBILPQTYCBEDH-HMMYKYKNSA-N	448.548	3.640	50	40	IHGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(N(C)C)cc1	20033402	AKOSBCPYYZYJBZ-VXYCCBPDSA-N	449.555	3.678	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Br)c1OC	59513170	IDGQFFPLOLEBRB-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1I	408798742	WXXUCUZNNWZZNV-UKTHLTGXSA-N	434.233	3.941	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1	2136040	IWNRCCCDAIGPCV-UHFFFAOYSA-N	433.533	3.685	50	40	IHGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	2663211	IPGXCCOUKXJJBH-CVKSISIWSA-N	440.459	3.767	50	40	IHGB	
COc1ccccc1CN(Cc1cccs1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	9584673	MQNQDOHJIHUQCM-UHFFFAOYSA-N	439.493	3.542	50	40	IHGB	
CCOc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1OCC	10039743	YDRAIEVEYQJQOW-UHFFFAOYSA-N	447.491	3.811	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc2)cc1	16309405	GBINBYXGSWBWHS-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
C[C@H](/C=N/NC(=O)[C@@]1(C)CC1(Br)Br)Cc1ccc2c(c1)OCO2	19644183	DKMMHMKJHIOTIM-CCEOFTILSA-N	446.139	3.592	50	40	IHGB	
CCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)P(=O)(c1ccccc1)c1ccccc1	100896183	WGGIMKUHFLISDI-DARPEHSRSA-N	437.392	3.897	50	40	IHGB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c(OC)c1	408608476	WOFIVKSIVGKBIM-FQEVSTJZSA-N	447.520	3.727	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(Cl)ccc1C	408708799	SXFHHTUZKAKXPK-LSHDLFTRSA-N	437.725	3.741	50	40	IHGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	9204939	WSJVNEYUONZZEE-FSJBWODESA-N	442.313	3.578	50	40	IHGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N/NC(=O)COc1ccc(C)cc1Br	15134684	OSDBVARFQCCGDE-HAHDFKILSA-N	432.318	3.966	50	40	IHGB	
O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)Cc1c[nH]c2ccccc12	15514158	PBLFURRRCDJVTP-UHFFFAOYSA-N	426.687	3.897	50	40	IHGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)NCCCn1ccnc1	26966421	HDYIQYDUJFLWGL-HMMYKYKNSA-N	440.482	3.988	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	408854467	GHBVPHCRYWPJGF-BRJLIKDPSA-N	449.463	3.571	50	40	IHGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1	409005023	CBWIVVWTAZJUAA-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C	1093238	QMYCDNUKTUYFGM-CVKSISIWSA-N	432.480	3.570	50	40	IHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OCCC(C)C)c2)cc1	14644605	BKEGTSHNHGUDDZ-UHFFFAOYSA-N	441.528	3.690	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	16790821	YMSDRYPUHZIFGK-YHSGTQGLSA-N	428.492	3.750	50	40	IHGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)CC2=O)cc1	96835913	WRNRUCXKGCDAAR-ZPPBPVQNSA-N	443.503	3.777	50	40	IHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408789350	PCPAJZPJBRUZID-NTEUORMPSA-N	426.226	3.915	50	40	IHGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(F)c1	408965526	IDFCZPXTARSTOJ-IFRROFPPSA-N	441.054	3.692	50	40	IHGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1	6606915	KLCDTKFUIOEGBK-ZVHZXABRSA-N	429.586	3.680	50	40	IHGB	
COc1ccc(C/C(C)=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	9097142	XQZBNIYQTWNXPH-PXLXIMEGSA-N	443.550	3.906	50	40	IHGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccc(C#N)cc3)c2)cc1	9580772	MJIGOUSFUKMWFN-PCLIKHOPSA-N	448.504	3.522	50	40	IHGB	
COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O	9715963	WCKCJGHCLSFMOZ-QFIPXVFZSA-N	442.475	3.566	50	40	IHGB	
COc1cc2c(cc1OC)[C@H](CNC(=O)OCc1ccccc1)N(C(=O)[C@@H](C)Cl)CC2	13997992	KRHJSZBJDFMOGU-BEFAXECRSA-N	446.931	3.683	50	40	IHGB	
O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cc2c(s1)CCCCC2	21970914	VWPSRGXRDMKLHS-UHFFFAOYSA-N	433.961	3.642	50	40	IHGB	
Cc1cc(C)c(Cc2c(C)cc(C)c(/C=C(\C#N)C(N)=O)c2C)c(C)c1/C=C(/C#N)C(N)=O	22014474	GIXUONMLBYSULL-QWHWCFICSA-N	440.547	3.912	50	40	IHGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O	36247460	ZVHXTFMWZVTNBF-ZVHZXABRSA-N	435.436	3.895	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(I)cc1	100062966	GZTJYXYIYPFGOB-ZDLGFXPLSA-N	443.082	3.747	50	40	IHGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1	408708650	SAWVFNYNQOHDRS-AFUMVMLFSA-N	430.936	3.773	50	40	IHGB	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)c1C	585079606	LBLZBCXYEICDNM-YCRUDBJHSA-N	435.528	3.982	50	40	IHGB	
CC(/C=C/c1ccco1)=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	16102327	VRYNXKFLGBZODG-OURLVSHHSA-N	443.459	3.985	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c(F)cccc1Cl	58918087	DNLXSUUNWWBTSG-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1C	408592503	YSQNXCBNGQVJQN-WYMPLXKRSA-N	434.452	3.732	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408706920	FDTXZLYGPAMUJM-YDZHTSKRSA-N	431.334	3.868	50	40	IHGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCC2)cc1	408707343	JEVMJZKYXIMMAS-ZVHZXABRSA-N	428.920	3.991	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCC#N	408794422	IILUYWHYAUEKFN-MHWRWJLKSA-N	439.855	3.973	50	40	IHGB	
O=C(COc1ccc2cc(Br)ccc2c1)NNC(=S)Nc1ccccc1	2561846	WBELTWBRZUOGLG-UHFFFAOYSA-N	430.327	3.999	50	40	IHGB	
COc1cccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1	22637361	RKLMZUNTMQFFCA-HZVRNWRTSA-N	442.519	3.682	50	40	IHGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)cc1	58918832	VCNOXIIHXBVPFV-FSJBWODESA-N	438.509	3.773	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1	408775156	FNFZTJABCXTXOE-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1OC	409361382	HCDWMRYOUUFRLN-ZMFRSBBQSA-N	434.496	3.886	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	840427	ASVGEUYDYBRZDV-QMMMGPOBSA-N	432.647	3.784	50	40	IHGB	
O=C(N/N=C/c1cccnc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	9562092	ONSQWVQRMLQOHP-CVKSISIWSA-N	442.500	3.708	50	40	IHGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1	38683384	OFSMNFIRHXCMEE-HXUWFJFHSA-N	432.457	3.972	50	40	IHGB	
Cc1ccc([C@H]2[C@@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	97949414	LARDTZQEAYSVKI-FSSWDIPSSA-N	443.499	3.818	50	40	IHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1	409193017	AGENHYLBZSGYCA-RHOWTMNOSA-N	429.476	3.910	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2)cc1	2312195	MXLWDOSNYCQROU-SFHVURJKSA-N	425.485	3.935	50	40	IHGB	
O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NNC(=O)c1cccs1	8719810	SOXPIONEZFRVBU-UHFFFAOYSA-N	433.518	3.651	50	40	IHGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cccc(I)c1	14921029	YAKNRJOLXSDZSL-FYJGNVAPSA-N	435.265	3.734	50	40	IHGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c1C	33668751	YXXZJRYZKWKGEL-QFEZKATASA-N	448.479	3.790	50	40	IHGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	408776334	YSQNLIBWEBHQIT-NKFKGCMQSA-N	441.531	3.691	50	40	IHGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1Cl	408974553	ZPTJCUOXPQSEON-ZMOGYAJESA-N	430.936	3.655	50	40	IHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(I)o2)cc1	880450	PPVZBNCLVCAKGT-VXLYETTFSA-N	426.254	3.711	50	40	IHGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccc(-c4ccccc4)cc3)CC2)cc1	19861326	FDQFUVZFFKXMLX-TURZUDJPSA-N	426.564	3.930	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccco1	20034806	LWOOODNNKAWLKJ-NRFANRHFSA-N	441.553	3.887	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1OC	65608401	PWVHJSHHMKJWGO-SDQBBNPISA-N	433.258	3.726	50	40	IHGB	
O=C(c1ccc(F)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	408665027	ZHACQUVBXHXYON-KDOFPFPSSA-N	448.834	3.510	50	40	IHGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c1	408968362	VZLYWEWSEBCCLR-UVHMKAGCSA-N	432.455	3.964	50	40	IHGB	
COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	408979006	KUEGRCZCIPPWPG-UVPCLOGWSA-N	446.463	3.615	50	40	IHGB	
COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c1C#N	409008076	SVDJPZFNNGAACD-RPPGKUMJSA-N	445.504	3.782	50	40	IHGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC	409149024	WAPCBTATKDHSFP-KRWDZBQOSA-N	432.318	3.586	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1	409313161	NCJRPBLCTNGUAY-FQEVSTJZSA-N	435.549	3.782	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	1091938	MOKHIRPXJMFTDX-UFFVCSGVSA-N	442.273	3.674	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	9015597	SVOVFJJCHVEMLK-LJQANCHMSA-N	449.308	3.581	50	40	IHGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(OC)c(OC)c4)CSC3=C2C#N)c1	9408629	AJENMWFFOGXMLD-SFHVURJKSA-N	437.521	3.932	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2Br)cc1OC	13381841	CUSPEVSOJLBZGB-WSDLNYQXSA-N	434.290	3.601	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408727918	YYSIFPFVKBLYOX-OEAKJJBVSA-N	434.408	3.775	50	40	IHGB	
CC(=O)Oc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2I)c1	408755109	PRRSHLXTALQXJX-ZROIWOOFSA-N	432.217	3.762	50	40	IHGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408945652	XIAMBKOKKGJCRE-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1	409017346	FVXRNPOPXFZFDE-CVKSISIWSA-N	447.491	3.794	50	40	IHGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cc2ccc(OC)cc2nc1Cl	872621	KUFCLJZSJHPWDQ-INIZCTEOSA-N	434.279	3.760	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2	9884964	LWZKWXFSLINTKA-GFCCVEGCSA-N	438.534	3.626	50	40	IHGB	
O=C(C[C@H]1C=CCC1)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	12691115	AIFXVMWQJZNMEF-INIZCTEOSA-N	438.915	3.772	50	40	IHGB	
CCOc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)Cc2ccccc2)cc1OCC	12766509	SLICFNPSSWABST-UHFFFAOYSA-N	446.503	3.719	50	40	IHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)O	113832226	DEIYCUTYEWOYHR-WUXMJOGZSA-N	428.242	3.862	50	40	IHGB	
Cc1ccc(Cl)cc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1	408708625	RRGQDZLNEUSIHD-LSHDLFTRSA-N	449.736	3.883	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1	408759054	XBZXZOFGECXJST-UVTDQMKNSA-N	432.217	3.762	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2	2433446	AJAATHSPQJVRQK-GOSISDBHSA-N	438.281	3.779	50	40	IHGB	
Cc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2c1C(=O)c1ccncc1	3173004	VKXFHUAKZANTMX-AFUMVMLFSA-N	427.420	3.546	50	40	IHGB	
CCOc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC	9186047	QLDDBBQIYLXFID-XDJHFCHBSA-N	431.496	3.575	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCC#N	16688321	ZILNZVWWPQLBTH-YVLHZVERSA-N	425.872	3.873	50	40	IHGB	
O=C(CN1CCN2CCC[C@@H]2C1)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12	20608281	CMZCZTVVMWUSFZ-QESWDSMOSA-N	449.986	3.573	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O	31783476	RMFXZMLPRINXMA-MXAYSNPKSA-N	432.505	3.674	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21	101216545	PENHUDIMOPTSAU-WNAAXNPUSA-N	427.460	3.638	50	40	IHGB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c(OC)c1	408608477	WOFIVKSIVGKBIM-HXUWFJFHSA-N	447.520	3.727	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C	408966640	MQJNARYMSRUWGR-BRJLIKDPSA-N	435.415	3.786	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(=O)O)cc1	409021413	GGYJUWABLAFSAV-VYYCAZPPSA-N	442.475	3.870	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1C	409264572	LBFVLJAFSNLSFO-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2cc(Br)ccc21	2280485	PGTCXBYIDCFBNG-QQTULTPQSA-N	443.345	3.837	50	40	IHGB	
O=C(CN1CCCCC1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1	2450448	ZDCLBUFCHATZSX-UHFFFAOYSA-N	440.345	3.988	50	40	IHGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	3044733	OUTVSILUPHCQCB-FCMREFMGSA-N	445.431	3.986	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1OC	9437077	PFXIEFNPQJJIRJ-LJQANCHMSA-N	448.479	3.719	50	40	IHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc(I)c1	9539603	IQXWSUNSZGLJDN-UHFFFAOYSA-N	438.309	3.659	50	40	IHGB	
O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1nc2ccccc2c(=O)[nH]1	9597213	RDJNZEPIEVKREV-JFLMPSFJSA-N	449.470	3.814	50	40	IHGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21	40138196	FPCGYRXOWFFYAL-FVDSYPCUSA-N	427.504	3.874	50	40	IHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	40852970	FCGOPYPAHWIBLD-SRZZPIQSSA-N	428.242	3.909	50	40	IHGB	
C/C(=C(\C#N)P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1	96839290	NOBOCGBYVPYOAN-XDOYNYLZSA-N	429.505	3.865	50	40	IHGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408709011	WILCZYVYQPRKQA-VTGBELTLSA-N	435.297	3.697	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	408757300	YGRHDSOSGHHMBJ-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)cc1	408771358	FWKKCACBWIUFJT-UHFFFAOYSA-N	429.542	3.554	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)c([N+](=O)[O-])c1	408900534	VVJVAQGSMYZTPV-KPKJPENVSA-N	432.230	3.920	50	40	IHGB	
CC1(CC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)OCCO1	409055877	JXSLRCBJQDOCHY-LPYMAVHISA-N	433.302	3.631	50	40	IHGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)C(=O)c1c[nH]c2ccccc12	1692422	HQSZFBZWHLZCCR-DHRITJCHSA-N	431.323	3.785	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	2176211	SWQHZROMAITEAB-WYMPLXKRSA-N	441.475	3.745	50	40	IHGB	
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12	9381560	WQDCRNOEHQJZSX-SECBINFHSA-N	440.308	3.843	50	40	IHGB	
COc1ccc([C@@H](Br)[C@]2(Br)SC(=S)N(C)C2=O)cc1	13547347	YIUGBUUADOVCKP-SKDRFNHKSA-N	425.167	3.713	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC#N	408855137	CJNFLRPTKMRBSD-JJFYIABZSA-N	428.242	3.870	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2)c2ccccc21	6191011	MJGFAZSWFVENMM-AREMUKBSSA-N	425.488	3.838	50	40	IHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccccc2)cc1OC	8657254	HHEOEFALCDKLRP-WGOQTCKBSA-N	428.492	3.795	50	40	IHGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OCc2ccccc2)NC(=O)[C@H]1C#N	9015105	UBBAFFRJHAQSEP-AVRDEDQJSA-N	447.516	3.650	50	40	IHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1	19953729	AYYKGFDJIPISDS-FLVDCRJSSA-N	445.585	3.688	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1	408817249	VJASWJSESMUXBV-GDNBJRDFSA-N	448.391	3.995	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC	409186470	CJQVWOVDRQRTGF-CFRMEGHHSA-N	440.452	3.546	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409203946	ZRAZCJJVOQOQIX-SSDVNMTOSA-N	436.917	3.533	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccccc4Cl)c(=O)c23)C1	6166345	LEMYMIWZJSBEAX-LKUCAWNLSA-N	428.945	3.948	50	40	IHGB	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccc(I)c2)c1C	8385840	VLANPTHCOFDOON-CIAFOILYSA-N	449.292	3.777	50	40	IHGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC	10001000	AKVKETJBSLNTOY-OQLLNIDSSA-N	432.476	3.610	50	40	IHGB	
Cc1ccccc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCC(C)C	408707514	JYTKIGVXRIVVFR-FSJBWODESA-N	431.334	3.723	50	40	IHGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408842458	PIJQNSORQZNOOJ-ZVHZXABRSA-N	435.436	3.712	50	40	IHGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3)cc2)cc(OC)c1OC	408846187	RBUKUWQDBSIMGJ-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O	408950804	UGOCFQMLUZBHLB-UKWGHVSLSA-N	448.229	3.972	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)c(Br)c1)c1ccccc1	408978324	IDTNJSBHYZAENR-NEIHUHTASA-N	448.317	3.785	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccncc2)cc1	1454743	QYYYTNOWQOQVOW-AFUMVMLFSA-N	444.520	3.586	50	40	IHGB	
CCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1	17099148	HHYORLYPTCEUCM-UHFFFAOYSA-N	434.569	3.694	50	40	IHGB	
CCOc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)OC	18066518	HETOGPHMGSFKQB-LZYBPNLTSA-N	430.464	3.646	50	40	IHGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)C)cc3)CC2)c1	59953119	MXVMAFMDYGSAMD-WGOQTCKBSA-N	437.540	3.830	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN1C(=O)c2cccc3cccc1c23	105973386	UOMZATZVNLTFDG-FOKLQQMPSA-N	438.281	3.721	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1Cl	408613326	ZASITAOYUTZWPI-AUEPDCJTSA-N	438.311	3.556	50	40	IHGB	
Cc1cc(C)cc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1	408707038	GLFDSINJQBJIEI-SSDVNMTOSA-N	429.318	3.538	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(C)=O	408758215	HPBFNOVNKRJBJE-SRZZPIQSSA-N	435.274	3.546	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1O[C@H](C)C(=O)O	409232683	OTXIXLVSOUQITC-OJLMPMFISA-N	445.269	3.855	50	40	IHGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1O	987169	IODWZGSTTUMJDX-CYBMUJFWSA-N	445.298	3.833	50	40	IHGB	
Cc1cc2c(cc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCO2	409002117	MFLBRPTZOGWHBI-YYHBXHNPSA-N	429.476	3.735	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)n1	409250543	XGYUBORWHDANLN-LSFURLLWSA-N	444.900	3.947	50	40	IHGB	
O=C(CCCC(=O)N/N=C/c1cccc2cccnc12)N/N=C/c1cccc2cccnc12	2739872	SLQXNKRPIFCNQT-LPHFKDDMSA-N	438.491	3.554	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)NCc1ccco1	13759665	QTFWXOQWHWAZOF-NTCAYCPXSA-N	446.850	3.957	50	40	IHGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C1\C(=O)N(C(C)C)c2ccccc21	15930418	WUMZDSVPJCECFO-CLCOLTQESA-N	444.329	3.720	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1Cn1nc(C)cc1C	17096850	JTPBTRFLXVDIQI-NVMNQCDNSA-N	430.464	3.831	50	40	IHGB	
CC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1)C(Cl)(Cl)Cl	19912290	IJYKHCBDHIYGJN-ZTBJCTOSSA-N	428.703	3.662	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1	19948839	NBGGKJOYEZSONX-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
Cc1ccccc1C(=O)NNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C	46863742	OQSRHNQYMJRKHZ-UHFFFAOYSA-N	431.418	3.793	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408706536	AZHNNNZIQDXTDE-FSJBWODESA-N	441.285	3.552	50	40	IHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408966735	NTZDHCZAGOQFMV-ZHZULCJRSA-N	448.548	3.850	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973661	NVEFTKOMKNSODL-IPACTHBOSA-N	445.544	3.973	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccccc1	409272705	RRFUXHPZULOBEQ-WTFDWONZSA-N	443.503	3.777	50	40	IHGB	
C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1F	673300	OCHJPWFEFQNNSY-HUSFYUSLSA-N	439.516	3.813	50	40	IHGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccccc2OC)c(OC)c1	1903385	LSTDMIIIZZKPAG-GHRIWEEISA-N	425.437	3.548	50	40	IHGB	
Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)S/C2=C(/C#N)C(N)=O)cc1	2888254	YSQNYSICXMNQAO-XUMLYMLNSA-N	442.338	3.669	50	40	IHGB	
CCc1cccc(C)c1NC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccco1	6198375	XIDQLGJECSBWJM-HXUWFJFHSA-N	436.537	3.704	50	40	IHGB	
COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1	408604353	IJOCXWPPKBRXRC-FQEVSTJZSA-N	447.520	3.727	50	40	IHGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409365514	XQSUENNOPKBYPY-FOKLQQMPSA-N	442.269	3.970	50	40	IHGB	
N#C/C(C(=O)COC(=O)COc1ccc(Br)cc1)=C1\Nc2ccccc2S1	3260331	QRPPAZSKBVKZIF-RGEXLXHISA-N	445.294	3.893	50	40	IHGB	
C/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	8398605	SIANPOBLSVYJNA-ROTLSHHCSA-N	439.855	3.863	50	40	IHGB	
C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)COc1ccc(Br)c(C)c1	16282239	TYTAAQFAUZAEJK-ZVHZXABRSA-N	443.301	3.529	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1	20100803	WVOYOQSTWQFDBA-WGOQTCKBSA-N	448.475	3.842	50	40	IHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	28214407	YQWUGCWFZSBLDQ-OJLHXUGZSA-N	435.455	3.681	50	40	IHGB	
O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(I)c1	30765772	LNHPVPRHNDMGDK-IUXPMGMMSA-N	429.601	3.617	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC#N)c(OC)c2)c(C#N)c1C	408547360	VQEFDJRWOQXABU-CXUHLZMHSA-N	449.488	3.735	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1	408872660	NPRLQNQTHBPMMX-WOJGMQOQSA-N	432.432	3.885	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC3(C2)OCCO3)c(C)n1-c1cccc(C(F)(F)F)c1	584906785	OGQRLEHXZSHEFS-WOJGMQOQSA-N	445.441	3.995	50	40	IHGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1	1434355	LUITXUMQLRRARG-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
COc1cccc(/C=N\NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1	31783350	MDRUQBXQTNDEHV-ROTLSHHCSA-N	432.505	3.592	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OCC	104052536	YZUOBVPRUMYVNQ-CVKSISIWSA-N	429.476	3.914	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)c(Cl)c2)cc1	408792201	JLONOZFJUHYSBG-MHWRWJLKSA-N	442.855	3.614	50	40	IHGB	
C/C(=N\NC(=O)CCCC(=O)Nc1ccc(I)cc1)c1ccccc1	8856235	HWNNIJAGHNJLBD-HYARGMPZSA-N	449.292	3.940	50	40	IHGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1OC	9015533	LQWJTQZTTWNYPL-MRXNPFEDSA-N	441.484	3.553	50	40	IHGB	
CCN(CC)C(=O)COc1ccc(/C(C)=N/NC(=O)c2ccccc2-n2cccc2)cc1	12522009	LEKPOBZOBULBNI-LGUFXXKBSA-N	432.524	3.879	50	40	IHGB	
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)on1	12630017	MCEGTEZLLYIUEF-UHFFFAOYSA-N	433.493	3.740	50	40	IHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(C)(=O)=O	20210528	KPZWLXLHZZKUII-HKOYGPOVSA-N	445.585	3.711	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccco1	20348562	YQVRGZZRAQKLNS-QFIPXVFZSA-N	449.532	3.754	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20760306	LDIWMXPTWUXJPF-SSDVNMTOSA-N	428.286	3.731	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br	408766902	WQAOVNRLVLRXPL-FSJBWODESA-N	428.286	3.925	50	40	IHGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)N2CCCC2)NC2=C1C(=O)CCC2	25355071	LAVDDKHNOCIKQR-QFIPXVFZSA-N	437.565	3.870	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NC(=O)c2ccco2)cc1	58985732	VFZUDGRFHMOKJX-SRZZPIQSSA-N	428.242	3.764	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1	408908206	VJQPISNOJVRFCI-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1	3248469	PLTOIZVITGKATQ-SFHVURJKSA-N	425.485	3.935	50	40	IHGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	5834021	NFTHZAJVSJYYNV-ITVNCIMDSA-N	425.573	3.585	50	40	IHGB	
Cc1cc(C(=O)NNC(=O)c2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCCO2	40060235	DMDCJJIBPIKSFD-UHFFFAOYSA-N	425.872	3.594	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(C)n1-c1cccc(Br)c1	58911596	WNLOXYIHMQIWCZ-YDZHTSKRSA-N	445.361	3.756	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1	100040337	QRUDAZXIICQKFD-BCJJWKDGSA-N	427.136	3.586	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccccc1-n1cccc1	408904398	IXOKSIYZIQVRHU-UDWIEESQSA-N	431.233	3.551	50	40	IHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNc1ccc(I)cc1	409273276	WUWWGKXIOQQMRB-UFFVCSGVSA-N	432.265	3.643	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409322395	JWAODYSRXHVOOL-LJQANCHMSA-N	437.521	3.804	50	40	IHGB	
Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O	2753990	CXJMOBVRVGEPFV-QFIPXVFZSA-N	444.447	3.937	50	40	IHGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1	12528939	VYQZVKGMACNHAG-OEAKJJBVSA-N	428.901	3.690	50	40	IHGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	40138186	DTPCOPYXWXWANA-RWEWTDSWSA-N	429.476	3.650	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(C)n1-c1cccc(Br)c1	58912574	KLSICNXSYKUWAJ-OEAKJJBVSA-N	445.361	3.709	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	102640022	UMCYFTQPHQBNGS-SLQSZJTJSA-N	427.136	3.586	50	40	IHGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223162627	QVXUKBSLVHEZMN-WGARJPEWSA-N	446.507	3.586	50	40	IHGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)c(OC)c1	408867417	JYGAJAVBTXFEOR-OVCLIPMQSA-N	431.286	3.698	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1	1502058	UEELSMMZKPVRKL-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	28215437	MPQZPEFARGDXTJ-SCELWYEFSA-N	446.463	3.615	50	40	IHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-]	28215713	HOPLCVOTIIZJJJ-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)CCCCC(=O)N/N=C/c1ccccc1OCC	31629051	ZOUDWCBUSQVXGE-WTHRLWDASA-N	438.528	3.645	50	40	IHGB	
N#C/C(C(=O)COC(=O)c1n[nH]c2ccccc12)=C(\c1ccc(F)cc1)N1CCCCC1	35127509	PSEFPUQJFBUXBQ-NMWGTECJSA-N	432.455	3.849	50	40	IHGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Br)cc2)N2C(=N1)SC(C#N)=C2N	408607744	UPHUSQGKFFDGCC-OAHLLOKOSA-N	433.331	3.786	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1OC	408746912	HQJMODVFIMTASW-NVNXTCNLSA-N	448.260	3.532	50	40	IHGB	
O=C(N/N=C/c1ccccc1I)c1cc(Br)ccc1O	409139421	DJJIQYZFVSKRQP-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(C)c2)c1	409220184	VIUUWPOCYQWZDI-UHFFFAOYSA-N	437.883	3.984	50	40	IHGB	
O=C(NNC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409227063	XGTAONODHZNZRF-UHFFFAOYSA-N	438.827	3.575	50	40	IHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1	1086757	YRIRVSGMVJOOQL-LPYMAVHISA-N	426.318	3.524	50	40	IHGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	16479148	YLRNLBSAWICVBA-UHFFFAOYSA-N	427.570	3.746	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1	20059683	VYQYCFSFFGIEFF-BUVRLJJBSA-N	441.484	3.534	50	40	IHGB	
COc1ccc([C@H](CC(=O)Oc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1	98008895	OBNJXUNTUWKIET-NRFANRHFSA-N	446.415	3.936	50	40	IHGB	
COc1ccc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1	408736770	HIKQFQUSUDFODI-XFBJJFJZSA-N	436.512	3.620	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	408784252	PUNRNSKTZRUUPR-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(Br)cc2)c1	3174505	IZVPEHINOHXPQU-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
CCOC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	3319501	WJUBKYFBYDXDDN-BHGWPJFGSA-N	439.390	3.812	50	40	IHGB	
CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	12285127	XMKIUXIOFCKNBW-BHWOMJMDSA-N	437.606	3.948	50	40	IHGB	
N#C/C(C(=O)CCN1C(=O)c2ccccc2C1=O)=C1/NC(c2ccc(Cl)cc2)=CS1	12574156	INBCLHQAIITFBP-LVZFUZTISA-N	435.892	3.965	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	19953239	XGPBMUXMNULEMZ-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	58911866	OTWNGEPXDQKWGR-VULFUBBASA-N	438.915	3.523	50	40	IHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	108168902	YWXHATCTUCCWAA-REZTVBANSA-N	429.068	3.527	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OC)c1OC	408568612	KQFBIZLUHVJKRX-WSDLNYQXSA-N	448.566	3.720	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409230092	BISCKATZYMJDCZ-KDVQLTRESA-N	428.872	3.685	50	40	IHGB	
O=C(O)COc1cccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c1	2178176	KHTUFZBZMWZRJY-SSDVNMTOSA-N	425.268	3.766	50	40	IHGB	
Cc1cc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c2cnn(Cc3cccs3)c2n1	12739994	CPNRBBIYHPEXSV-UHFFFAOYSA-N	449.536	3.712	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1cccc(OC)c1	13757711	ZETZJPPOYBJFKY-TVJQZGFISA-N	427.913	3.521	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2)cc1	16309457	GLGXFSZLTIIIOS-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc(CSc2ncn[nH]2)cc1	22278894	LLBVQKVXOUPCBW-UHFFFAOYSA-N	427.555	3.502	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)s1	36235392	BUOADUXHPKFSFW-MTDFZZOTSA-N	433.489	3.706	50	40	IHGB	
COc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)cc(OC)c3o1)OCO2	409102787	UBDRRRLRZASREN-WNFQYIGGSA-N	447.241	3.705	50	40	IHGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCOCC2)c(F)c1	409130505	IFITZNKFGHZENN-PKAZHMFMSA-N	433.483	3.858	50	40	IHGB	
Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(N)=O)cc1	934863	NALHBJXKKMZTCS-IMGOXIFKSA-N	442.338	3.669	50	40	IHGB	
COc1ccc(/C(C)=N/NC(=O)c2c(C)nc3ccccn23)cc1CSc1ncccn1	9630831	ZAXCRKLIJPAOIA-JFLMPSFJSA-N	446.536	3.888	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	12752013	SZRUUYLEQPEDLP-UHFFFAOYSA-N	441.456	3.761	50	40	IHGB	
COc1ccc(C(=O)NCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1OC	14920380	UMMCPBDBAAPEKY-MBTHVWNTSA-N	441.487	3.890	50	40	IHGB	
CCn1c(SCC(=O)N/N=C\c2ccc(OC)cc2OC)nnc1-c1ccc(C)cc1	16712191	CPULSRHLIFNCIL-QRVIBDJDSA-N	439.541	3.533	50	40	IHGB	
C/C(=N/NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccncc1	97549938	KANRNGLSWAKSRW-IADYIPOJSA-N	441.579	3.719	50	40	IHGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)NCc1ccccc1	408747286	LPQVMWQFSDLXTI-NSIKDUERSA-N	449.688	3.789	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1	408973140	ZFRDQXXYWIXJPG-LPYMAVHISA-N	440.352	3.544	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1	409365437	QTOLXUSLLZCNSC-QQXSKIMKSA-N	432.476	3.738	50	40	IHGB	
O=C(NCCSCc1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1	32802069	NYTVYEPLVURIPE-UHFFFAOYSA-N	431.539	3.798	50	40	IHGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1	408906948	FGBRQSHPUHEUJA-FLVDCRJSSA-N	439.537	3.543	50	40	IHGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	9635261	HTXWTUBJAUFWGS-ZVHZXABRSA-N	426.505	3.941	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1OC	10002728	XMVGISMQGLAGPK-MFKUBSTISA-N	434.448	3.783	50	40	IHGB	
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1	13388019	OKAWQYGXUCDCEV-NTUHNPAUSA-N	430.214	3.828	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1OC	58886603	VCOVEZQKMYPHNX-KOWBDXASSA-N	435.318	3.820	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)c(OC)c1	59459334	TZFHNHBGQNDPGE-FSJBWODESA-N	447.329	3.874	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OC	408676452	IXLNDTNHVMKDFX-LPYMAVHISA-N	432.318	3.830	50	40	IHGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	880383	JSTBBLDUEFOWTR-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1C[C@@H]1CCCO1	9463692	VZBPKQBTUQRVOK-IMEWXKHHSA-N	435.524	3.683	50	40	IHGB	
COc1cc(Br)c(Br)c(/C=N/NC(=O)Cc2ccccc2)c1O	9846800	POTDNMMFRNISFY-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1COc2ccccc2O1	13563589	GPPTXVXBBLKQIE-RCECTWRXSA-N	427.800	3.798	50	40	IHGB	
O=C(NNC(=O)c1cc(I)ccc1Cl)c1ccc(Cl)cc1	34966353	SBPSAFHUXJJACB-UHFFFAOYSA-N	435.048	3.673	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408613345	ZEIXQMXCEPSXJC-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409190032	UYWLNDIDTWUBFY-IFRROFPPSA-N	446.084	3.983	50	40	IHGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)nnc1-c1cccc(Cl)c1	409195520	QIVZXXRFHHPKOU-UFFVCSGVSA-N	445.892	3.680	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1OC	409314365	SKWJMUMHIQNVQR-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)cc(OC)c2)c(OCC)c1	957993	RPVHJOURZGFIIY-RQZCQDPDSA-N	425.437	3.792	50	40	IHGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1cncc(Br)c1	1435391	UGHZGGALSZHCKU-YSURURNPSA-N	442.244	3.966	50	40	IHGB	
COc1ccc(NC(=S)N(CCO)/N=C(\CBr)c2ccc(C)cc2)cc1	4289075	BCKMOJQDDZGXFM-RELWKKBWSA-N	436.375	3.794	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1OC	33653930	ZUVWQZARRAEHHS-SRZZPIQSSA-N	437.290	3.638	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	58918077	BRONHTFRDKPICI-JJIBRWJFSA-N	425.485	3.561	50	40	IHGB	
CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1	408852934	XIYKGNFPIIXTFU-JJFYIABZSA-N	445.269	3.901	50	40	IHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC(=O)O)c1ccccc1	409245856	ZYGLNEIXVDJLBL-WPBJZHHJSA-N	429.270	3.697	50	40	IHGB	
Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2c1C(=O)c1ccncc1	3172874	UYRCSRLAKUXNKO-AFUMVMLFSA-N	427.420	3.546	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1O	3661547	XCHOWWIHPASQFL-PCLIKHOPSA-N	427.464	3.803	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1	19948843	WPBOVMNAZKHJHX-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
CC(C)(C)c1ccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1	23136134	ZSJDEEQIUDDWMM-UHFFFAOYSA-N	436.487	3.800	50	40	IHGB	
Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	23180552	VJFMIGYEIAOMNO-UHFFFAOYSA-N	449.492	3.709	50	40	IHGB	
CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC	27345798	WLWBRUCJWJUHAS-BUJDNCMTSA-N	437.448	3.801	50	40	IHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Cl)c2)c1	59249280	QLKGIZOQQGGTBI-WYMPLXKRSA-N	425.872	3.975	50	40	IHGB	
Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-]	409163849	YQFSCNGIIFEQNM-REMUQMNCSA-N	438.415	3.571	50	40	IHGB	
O=C(N/N=C/c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1ccco1	409188503	CIAMUXMTRDWGAK-CIAFOILYSA-N	434.437	3.888	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409245897	AOKPMCQDKLHBCN-UNOMPAQXSA-N	432.455	3.914	50	40	IHGB	
O=C(Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccco1	1083319	XDQKXSLAFTTXLT-OVVQPSECSA-N	440.455	3.885	50	40	IHGB	
O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)Nc2ccc(Br)cc21	3088754	IDUKBSCMERHBMB-UHFFFAOYSA-N	438.734	3.808	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1	9323682	PVHMDGLPWOWPND-AFUMVMLFSA-N	434.448	3.502	50	40	IHGB	
CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	13096329	ZHIKANBHTBDTKD-ZDUSSCGKSA-N	432.933	3.722	50	40	IHGB	
O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(Cl)cc1	34966850	OAOMILGBIDJWRE-XBXARRHUSA-N	428.728	3.996	50	40	IHGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)c1	96499150	WFYWYRJXWDGKBY-YSMPRRRNSA-N	448.475	3.674	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@H]3C[C@H]4C[C@@H](C[C@H]2C4)[C@H]3CBr)cc1	100478406	QEFDBEIHKLONII-OTKJSXPQSA-N	430.320	3.746	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C	408586049	BAGCURRAWKHTAV-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408606135	OPBXHUMXFPMBQQ-LJQANCHMSA-N	442.541	3.820	50	40	IHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)CC(=O)N2)cc1	409314789	SMJUAUXSJIFWSK-IBGZPJMESA-N	449.532	3.746	50	40	IHGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	12137096	GWOXYOHEWSMSPR-UHFFFAOYSA-N	433.533	3.553	50	40	IHGB	
COc1ccc2c(C)c(CCC(=O)NNC(=O)Cc3cccc4ccccc34)c(=O)oc2c1	12728888	BUEOTGDNDCLZLV-UHFFFAOYSA-N	444.487	3.586	50	40	IHGB	
CCOc1c(Cl)cc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC	12971272	LMKKVMBGCXNYOC-UHFFFAOYSA-N	447.702	3.894	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	20000627	PHIPIZLFSWPZGD-NFBKMPQASA-N	431.540	3.618	50	40	IHGB	
CCOc1ccccc1-c1nc(CC(=O)NNC(=O)COc2ccc(CC)cc2)cs1	24968212	BJPIPERLZVLKJS-UHFFFAOYSA-N	439.537	3.540	50	40	IHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	28215220	NFEWGLNGNWHQQZ-DHRITJCHSA-N	437.521	3.526	50	40	IHGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c(C)c1	408909501	UQZMBSPWMXJIOK-WSDLNYQXSA-N	435.318	3.953	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1cccc(Br)c1	2320433	TWGWWVNMJDNLPW-UFFVCSGVSA-N	448.321	3.626	50	40	IHGB	
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NNC(=O)c1cccc(Cl)c1	9642502	ZXIHUHBNRZMSAB-NSHDSACASA-N	447.973	3.937	50	40	IHGB	
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	32578444	XTXLBUUYYUXXNS-UFFVCSGVSA-N	425.710	3.903	50	40	IHGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1	408765614	YZFWUVHOSGYCLK-RCCKNPSSSA-N	432.501	3.986	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1O	408967947	YFPRCEBSKYTXJA-UFWORHAWSA-N	434.202	3.582	50	40	IHGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\NC(=O)c3cccc(C)c3)cc2)cc1	409217852	XPESJHKLHZUKFH-YSMPRRRNSA-N	429.476	3.863	50	40	IHGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC	409235344	ZTTNDIKRWCRVEQ-QRVIBDJDSA-N	433.277	3.692	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1O	409366709	XPBSACFDBPGFKE-ZVBGSRNCSA-N	426.698	3.769	50	40	IHGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccncc2)cc1	1479408	ZQFAKHORJUGGLC-YDZHTSKRSA-N	434.550	3.942	50	40	IHGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC	3085403	AUNRMCCXFDKEOS-JVWAILMASA-N	447.535	3.865	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl	12857116	HLCKCIOESAPTQF-MRXNPFEDSA-N	437.279	3.738	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	13595664	VIAYPDVXRPYOOQ-FSJBWODESA-N	442.313	3.660	50	40	IHGB	
O=C(NNC(=O)c1cnn2cccnc12)c1cc(-c2ccccc2Cl)nc2ccccc12	25050441	HGQXQQOOZXAWHG-UHFFFAOYSA-N	442.866	3.673	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC)c([N+](=O)[O-])c2)c(C#N)c1C	408547560	YZQBDSWQZIOCLI-VGOFMYFVSA-N	439.449	3.740	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408780489	ZSNNSPWAULCPKU-HKOYGPOVSA-N	429.586	3.907	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1	409025053	KXGZHMROEIEUBV-PCLIKHOPSA-N	439.512	3.734	50	40	IHGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409256054	NQIIHSMPBMKFPJ-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409365009	PQJLGBTYWSENJJ-FSJBWODESA-N	441.827	3.972	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2cccs2)c(Br)c(Br)c1O	30738446	XQMZARFIPNGMJT-IDUWFGFVSA-N	448.136	3.680	50	40	IHGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)N1CCOCC1	408762255	NVORQVWAZUKMLM-LFIBNONCSA-N	431.275	3.978	50	40	IHGB	
CCCOc1c(I)cc(/C=N\NC(=O)c2ccccc2)cc1OC	409005064	CHKFMLNNEFOKOX-NDENLUEZSA-N	438.265	3.853	50	40	IHGB	
COc1ccc(SCC(=O)N/N=C\c2cc(OC)c(N3CCCC3)cc2OC)cc1	409106426	NEAPHIJPWBVMEE-UCQKPKSFSA-N	429.542	3.555	50	40	IHGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Br	409326123	HATIHHJCOCMYSK-XKZIYDEJSA-N	431.286	3.632	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C	1293460	BPJBKNJPTFHKNR-SRZZPIQSSA-N	444.358	3.795	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc(OC)c1OC	59416281	YSUNEKMOERIVFY-YDZHTSKRSA-N	439.493	3.790	50	40	IHGB	
COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC(C#N)=C(N)N32)c1	408604356	IJOCXWPPKBRXRC-HXUWFJFHSA-N	447.520	3.727	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1Nc1ccccc1C	408709347	ZYZDILUCGIXPPU-WPWMEQJKSA-N	430.508	3.556	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(I)c1OC	408884907	WAFVXQKLCLHOOD-BHUQIAQOSA-N	442.297	3.585	50	40	IHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1	408950096	DJRVNTGAEGKMEJ-YDZHTSKRSA-N	434.408	3.913	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1C#N	409065760	TZNZICPYGYWSMT-UVHMKAGCSA-N	445.523	3.653	50	40	IHGB	
Cc1ccc(Nc2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)s2)cc1	2636723	IYDUABKCQVFCLT-KEBDBYFISA-N	427.511	3.531	50	40	IHGB	
CCc1c(C(=O)NNC(=S)Nc2sc(C)c(CC)c2C(=O)OC)csc1C	17094578	DMSGXHREUGLACL-UHFFFAOYSA-N	425.601	3.969	50	40	IHGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)cc1	408769155	OZBMPBVDYRBJHZ-UHFFFAOYSA-N	449.960	3.899	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(I)c1OC	409217747	AZXMKWZPCXSZCT-RGVLZGJSSA-N	438.265	3.771	50	40	IHGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O	409256985	QXMUZQBYGBTGEB-VGOFMYFVSA-N	446.257	3.684	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1	409267983	XNQXXIJUXLYZPD-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)Nc1ccccc1F	890515	QPHMWURIIOQTEB-WPNIOXTASA-N	446.482	3.621	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCC[C@H](C)C3)nc12	9344776	ROZVQWKWMADYSP-TYSUYXETSA-N	448.548	3.578	50	40	IHGB	
N#C/C(=C\c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1)C(N)=O	59416960	PTLYZRFCYHSRCP-XVNBXDOJSA-N	441.035	3.772	50	40	IHGB	
COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	1477763	OAJBKTFMWVMMDT-MFKUBSTISA-N	444.516	3.637	50	40	IHGB	
N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	3075241	PXADFEKUGQTVRW-DHIUTWEWSA-O	441.467	3.585	50	40	IHGB	
CC[C@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	8619778	KGJKDPGICCIVAN-URTGMZOISA-N	446.326	3.952	50	40	IHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	15225286	XETNAZMPNWUNLC-FBTHGLLTSA-N	447.988	3.941	50	40	IHGB	
N#CC1=C(N)NC(c2ccc(Cl)cc2)=C(C(=O)O)[C@H]1c1cccc(Br)c1	20792474	AJVCCRIINYUHEB-HNNXBMFYSA-N	430.689	3.979	50	40	IHGB	
Cc1ccc(NCN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1C	102066177	JLNQICVXYLBYEA-KBXIAJHMSA-N	444.167	3.595	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCCCC3)o2)c1	108149755	JDHZYQZBNSTHJY-CIAFOILYSA-N	433.306	3.755	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)cc1	408757420	ZTGNPJSKKITABC-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
O=C(COC(=O)CSC(c1ccccc1)c1ccccc1)NNC(=O)c1cccs1	8825351	ZAFKLZHJDNNZRO-UHFFFAOYSA-N	440.546	3.575	50	40	IHGB	
O=C(O)CC1(CC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)CCCC1	9634283	UWMBGTKWFFRIMC-UHFFFAOYSA-N	431.316	3.725	50	40	IHGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(O)c2)c(C(=O)OCC)c1C	107774635	NRPUJDMRVJBQFR-OQLLNIDSSA-N	427.478	3.834	50	40	IHGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1	225759422	OYHVHCQGPXPQEH-MRXNPFEDSA-N	433.599	3.567	50	40	IHGB	
CCCC(CCC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	408974248	DOOICVUKSHPMGW-UHFFFAOYSA-N	445.585	3.959	50	40	IHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)n1	408977767	JWWHBARQZQWGKU-NYYWCZLTSA-N	425.080	3.978	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408999927	UONPRMHOYSFLNG-NWJFTTBMSA-N	429.476	3.623	50	40	IHGB	
CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1	2135982	YIZVTVBQBKSFNE-UHFFFAOYSA-N	427.570	3.822	50	40	IHGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)sc(N)c1C#N	15018640	FAGBUFARBHJUFV-LIMNOBDPSA-N	428.857	3.886	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3c(C#N)c(Nc4ccccc4)sc23)[C@@H]1c1cccnc1	15082948	TXESHWPLFVYQLZ-MRXNPFEDSA-N	438.472	3.818	50	40	IHGB	
CC(C)[C@H](NC(=O)c1cccs1)C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	36689379	JYFYDIYCEXUFRX-AWEZNQCLSA-N	430.408	3.573	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1	408707174	HRHGFUWQTZKLIU-YDZHTSKRSA-N	447.333	3.568	50	40	IHGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OCC	409310611	BKEPVNVRGQPMCR-FMCGGJTJSA-N	434.876	3.755	50	40	IHGB	
COc1ccc(CC(=O)N/N=C(\CBr)c2ccc(Br)cc2)cc1	1434226	VKIREONPKRLZCZ-CAPFRKAQSA-N	440.135	3.916	50	40	IHGB	
O=C(N/N=C/c1ccc(O)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	9562770	SDQFWZRKTWNLSQ-LPYMAVHISA-N	429.885	3.610	50	40	IHGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1	15423099	AZJSADZDMPNHNV-QGZVFWFLSA-N	441.366	3.898	50	40	IHGB	
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	102643528	AVOGMGRQNJYIIC-DLFAJOPRSA-N	438.627	3.868	50	40	IHGB	
O=C(N/N=C/c1ccccc1I)c1cc2cc([N+](=O)[O-])ccc2o1	107984681	XBTZCZUKYBCYIO-GIJQJNRQSA-N	435.177	3.710	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(O)ccc2ccccc12	408970021	YSPIOALUZSTJMQ-QYJQOTDOSA-N	447.535	3.914	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1C	1095479	XOTPGPQOAUNLDT-XSFVSMFZSA-N	442.519	3.663	50	40	IHGB	
CC(=O)NNC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1	1415697	HDGKQXJGMAMDFB-UHFFFAOYSA-N	445.426	3.949	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1OC	9361365	PFXIEFNPQJJIRJ-IBGZPJMESA-N	448.479	3.719	50	40	IHGB	
COC(=O)C1=C(C)NC(SCc2cccnc2)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	20623787	HTSOHOWYTNAQPP-OAQYLSRUSA-N	437.521	3.901	50	40	IHGB	
Cc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2=O)cc1	23136197	GDAFXWYMZITLEM-UHFFFAOYSA-N	445.306	3.978	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1OC	33591012	WILJLDSUYJELKJ-MYYYXRDXSA-N	448.479	3.877	50	40	IHGB	
O=C(CCCl)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	39742452	NCZHXTZBETVLCC-UHFFFAOYSA-N	431.861	3.933	50	40	IHGB	
CC(C)=C(OP(C)(I)(N(C)C)N(C)C)C(C)(C)C(=O)N(C)C	104122714	FNZMZYCJGCXQAB-UHFFFAOYSA-N	445.326	3.813	50	40	IHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl	408906904	KHGVIWOFFFKLMK-UHFFFAOYSA-N	439.887	3.951	50	40	IHGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCC2)cc1	2399654	PVUYCKSFMKVKAP-SAPNQHFASA-N	444.491	3.770	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1OC	9356687	VLRLYVFVBSJWFC-GOSISDBHSA-N	433.424	3.610	50	40	IHGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	12273749	OBLIRTDUTKKVTJ-XUMLYMLNSA-N	442.338	3.621	50	40	IHGB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)cc1	16713653	IPTGICYIKVWDIH-CAPFRKAQSA-N	430.508	3.998	50	40	IHGB	
N#CCOc1ccccc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	409002250	MQOZGSFHMNMWOP-RHOWTMNOSA-N	426.476	3.600	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C	409007078	MUDDXIZIEFKZLX-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)cc1C	409056493	GTMKHISEADHIBN-MBTHVWNTSA-N	433.471	3.547	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1OCc1ccc(Br)cc1	409240280	GERQPMWIXLEZST-DHDCSXOGSA-N	444.285	3.529	50	40	IHGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	9164646	OBLIRTDUTKKVTJ-PBEQFFAXSA-N	442.338	3.621	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	28215473	WNACRKCWHDMVPW-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(OC)cc1	33772278	LFIDYDGKHOZCIN-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CCCl	35999856	JLMVEIXYSNRTOI-LJQANCHMSA-N	439.737	3.869	50	40	IHGB	
CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1	100795846	VKINLTZDEYXSSC-UWONZBIMSA-N	441.281	3.682	50	40	IHGB	
CCOC(=O)CSC1=NC(N)=C(C#N)C2(CCCCC2)[C@H]1C(=O)Nc1ccccc1	102413898	HEVFJRABRPZPHW-SFHVURJKSA-N	426.542	3.594	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c(Br)cc1O	408791336	WDXGAAQITHUWBY-RIYZIHGNSA-N	445.269	3.886	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1O	408811062	NIKKFMCISMPTLW-AZZDOICSSA-N	448.260	3.790	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)n1	409243876	VSEOUXANURIUAQ-LSFURLLWSA-N	444.900	3.947	50	40	IHGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CCC3)cc1	8809762	BMFSFLDWQOQSTQ-QFIPXVFZSA-N	429.480	3.966	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c2ccccc21	13567761	XQCYAMUGPJVVSC-XMMPIXPASA-N	448.885	3.914	50	40	IHGB	
CN1c2ccccc2C2=C([C@@H](c3ccc(C(F)(F)F)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558331	WYICNDUMTWEFDF-INIZCTEOSA-N	433.411	3.661	50	40	IHGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	58918099	QTYSNDCYHRZWCT-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
Cc1nc(O)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCC#N)n1	95749430	DBCUPTWVMIUOOE-UHFFFAOYSA-O	442.504	3.726	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408756965	YPJZDTSITOCBIX-DJKKODMXSA-N	440.091	3.901	50	40	IHGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1	408855896	GMLUDYMKXBWECS-PTNGSMBKSA-N	441.896	3.957	50	40	IHGB	
COc1cc(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)c1OC	409024950	ZXKVGQBBWUDGSN-KSEXSDGBSA-N	444.285	3.544	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12	409184789	NOTUXWHHISYRCO-DHRITJCHSA-N	449.454	3.775	50	40	IHGB	
CCOC(=O)c1c(NC(C)=O)sc2c(OC(=O)CCl)c(Br)ccc12	823392	PCMFCVDLOKBUDW-UHFFFAOYSA-N	434.695	3.943	50	40	IHGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1OC	2439801	NPNMUMKIGWXFEF-JOCHJYFZSA-N	447.466	3.580	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc(Br)c1OC	3232254	FRQCPSYEDFSSSV-RIYZIHGNSA-N	444.285	3.970	50	40	IHGB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C\C=C\c2ccco2)cc1	13476626	XCCMUWIEGOCMKJ-ILTAISPZSA-N	428.492	3.932	50	40	IHGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)COc1ccc(Br)cc1	14922753	FNFJGIDQKLYOTH-OEAKJJBVSA-N	448.317	3.666	50	40	IHGB	
COc1cccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1OC	59505991	WMCAWHQONZTXNZ-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1	408777419	YTWRLXZFLHOXHF-WYMPLXKRSA-N	441.475	3.745	50	40	IHGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(C)c1)S(=O)(=O)c1ccccc1	408787151	SLNPAWGZTPPRTI-KOEQRZSOSA-N	435.549	3.903	50	40	IHGB	
O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408874112	YUBIPKIVQQNPGA-SGSZHJQISA-N	441.940	3.797	50	40	IHGB	
O=C(N/N=C/c1ccccn1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973279	LBUCCWGXJSFOQT-NHVVDLMHSA-N	430.533	3.662	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409150500	CAGCWWNSFSKWOP-FVUPAENESA-N	432.343	3.674	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1	409218728	KBTVOYYXKKDFMK-UHFFFAOYSA-N	437.883	3.984	50	40	IHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1O[C@H](C)C(=O)O	409229103	JURPBTMMQNTXBH-XTCQQWIJSA-N	445.269	3.855	50	40	IHGB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1	9381771	ORAZXGLDVQJGFL-CYBMUJFWSA-N	448.545	3.613	50	40	IHGB	
Cc1cccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(N)=O)c1	11690299	FTUNTUKIIAQLCQ-BJMRFWQKSA-N	442.338	3.669	50	40	IHGB	
N#CC1=C(N)NC(c2ccc(Cl)cc2)=C(C(=O)O)[C@@H]1c1cccc(Br)c1	20792470	AJVCCRIINYUHEB-OAHLLOKOSA-N	430.689	3.979	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@H]3C[C@@H]4C[C@@H](C3)[C@@H](CBr)[C@@H]2C4)cc1	100478409	QEFDBEIHKLONII-LBGAXORKSA-N	430.320	3.746	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccccc1	408726598	ORONNLVERYHVMQ-MZJWZYIUSA-N	447.491	3.955	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1F	409025691	YTBVQFZWJHWHLO-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)c2C)c1	409123779	IOVBRIWPWIJROI-BUVRLJJBSA-N	438.553	3.562	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCC	409237559	VJNFXDNLFWKTMM-YDZHTSKRSA-N	428.558	3.862	50	40	IHGB	
CCc1ccc([C@H]2C(C#N)=C(N)OC(CSc3nc(C)ccc3C#N)=C2C(=O)OC)cc1	663658	NUGHXOFAMQCYGQ-FQEVSTJZSA-N	446.532	3.851	50	40	IHGB	
COc1cc(/C=C/C(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12	226364643	RCQYQCBIBUFNDG-MDZDMXLPSA-N	441.281	3.833	50	40	IHGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OC	408884679	VITUPVMPPHOQDX-LZYBPNLTSA-N	430.888	3.988	50	40	IHGB	
O=C1/C(=C/Nc2cccnc2Cl)C(=O)N(C2CCCCC2)C(=O)N1CCCCl	2178901	NIYWMWBAIRZCEJ-OWBHPGMISA-N	425.316	3.783	50	40	IHGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1	12733697	OHGYRKWXJUYUIP-UHFFFAOYSA-N	426.929	3.956	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	58884422	KXYVEEPHZAUTJR-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)c(Cl)c1	408706957	FRLCXIPEIYWTOQ-FOKLQQMPSA-N	449.736	3.907	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(I)c1O	409052588	KYYWFSHPHFEBQI-UFWORHAWSA-N	444.656	3.731	50	40	IHGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Cl)Nc1ccccc1F	409378350	OMDQTHNWJVXFJS-ROTLSHHCSA-N	441.846	3.966	50	40	IHGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1Cl	2342667	ZZFBUBBDHMICGT-FQEVSTJZSA-N	435.867	3.699	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1OCC	3067324	BDAAIIZZAVGGKS-LPYMAVHISA-N	446.301	3.501	50	40	IHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(N/N=C/c2ccccc2[N+](=O)[O-])c1	9630705	RYFNGDVZPIKOSW-MSKUYSOUSA-N	432.396	3.713	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)cc1OC	12275290	QGWOBLKOAHJNTA-SBUREZEXSA-N	440.496	3.876	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1O[C@@H](C)C(=O)N(C)C	13032119	SCJDGUOATUXSQP-VMXMVTOYSA-N	427.545	3.543	50	40	IHGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	13425257	CSJQSECHLNNINB-SFQUDFHCSA-N	436.423	3.794	50	40	IHGB	
Cc1ccc(C(C)C)c2oc(=O)c3c(c12)OC(N)=C(C#N)[C@@]31C(=O)N(C)c2ccccc21	104766237	WZBHMNVAUPIXNU-RUZDIDTESA-N	427.460	3.574	50	40	IHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(I)ccc1O	1054878	AMWODYJFWWSLJI-SSDVNMTOSA-N	445.260	3.712	50	40	IHGB	
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1[N+](=O)[O-]	12993013	VFUZTOUKSHSICH-UHFFFAOYSA-N	443.934	3.510	50	40	IHGB	
COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc2c1CCCC2	20220666	NRGSSPHGSHTSJE-UHFFFAOYSA-N	449.623	3.985	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408611020	PMQNBSZFXHHTCG-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1	10387048	ATYXLYBUTVNPDF-UHFFFAOYSA-N	429.267	3.888	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc(F)c1	15135346	FSUBRJIYTNCSDU-MZJWZYIUSA-N	435.455	3.924	50	40	IHGB	
CNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1	33370665	GOPVISBUKWOZPI-STZFKDTASA-N	433.508	3.553	50	40	IHGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58916055	MYPSAJTXWUPDKY-HYARGMPZSA-N	448.932	3.717	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1)C(=O)NC1CCCC1	408707642	LIRNXURJXRCWAI-FSJBWODESA-N	447.308	3.841	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1	408760207	UOBVRPFEWUMSEJ-UVTDQMKNSA-N	432.217	3.762	50	40	IHGB	
Cc1ccccc1NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	3116340	SUBBBMDOGMLVLM-AFUMVMLFSA-N	432.436	3.685	50	40	IHGB	
O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1	9846804	AXLJGIZJKUNXDG-PPISWXGVSA-N	440.253	3.820	50	40	IHGB	
Cc1cc(C)n2nc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)cc3)nc2n1	33334704	GYZMEFVRAHTCQZ-MSXFZWOLSA-N	434.887	3.737	50	40	IHGB	
Nc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1	57410064	JCPPSGJWUJRNCN-RWPZCVJISA-N	449.470	3.992	50	40	IHGB	
CCOC(=O)c1ccc(NC(=O)c2cc(N(C)C)ccc2[P@H](=O)c2ccccc2)cc1	3263926	HADYHYSCRVMQCN-UHFFFAOYSA-N	436.448	3.692	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c([N+](=O)[O-])c1	9355317	APHAVNAZVOINNW-SSDVNMTOSA-N	438.396	3.909	50	40	IHGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1	16693804	LEHPXHGJKJMOAV-NDENLUEZSA-N	443.488	3.674	50	40	IHGB	
N#C/C(=C\c1ccc(OCCN2CCOCC2)cc1)C(=O)Nc1ccccc1C(F)(F)F	19643205	QKSHOANSYZVBIK-OBGWFSINSA-N	445.441	3.962	50	40	IHGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408568919	LLZKYLIULAVCRD-YBEGLDIGSA-N	435.484	3.821	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(C(F)(F)F)c1	408962664	JCBNEXNXZZNXDR-IFRROFPPSA-N	432.152	3.846	50	40	IHGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409392538	QFTHOONUJSCKFJ-MZJWZYIUSA-N	428.492	3.920	50	40	IHGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc12	9381727	ZLSPJECZWUSXDN-HNNXBMFYSA-N	444.582	3.925	50	40	IHGB	
CN(NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1	12790582	UNLAISZUHGHCQG-UHFFFAOYSA-N	429.929	3.600	50	40	IHGB	
CCOc1ccc(NC(=O)C/C(C)=N\NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	14923652	ITVNLUZUEKQURS-MXAYSNPKSA-N	430.892	3.507	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(Br)c1OC	30774242	ODCSVXWWVQMDNX-OCKHKDLRSA-N	442.107	3.993	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(C)=O	408756702	WRWVJCMAULEUHW-AWQFTUOYSA-N	425.666	3.800	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)Cc2ccc(F)cc2)cc1	409056502	HBAYJQUPKOEDAC-YDZHTSKRSA-N	445.541	3.537	50	40	IHGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3O)c2C)c1	409390003	BLYNRGCSKBYTGA-AFUMVMLFSA-N	435.480	3.749	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2O)NC(=O)c2ccccc2)cc1	3144837	CNRVYWQSNUVFQT-NMVQVFOTSA-N	429.476	3.712	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1cccs1	8826723	JDYWZGHJICNUQB-CJLVFECKSA-N	443.550	3.847	50	40	IHGB	
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	12628539	ZCCSRRYYYSAFJX-LJQANCHMSA-N	445.269	3.803	50	40	IHGB	
COc1cc(C(=O)NNC(=O)c2csc(-c3ccco3)n2)ccc1OCCC(C)C	12779575	QNRGEFNZEAOUSJ-UHFFFAOYSA-N	429.498	3.911	50	40	IHGB	
O=C(N/N=C/c1c(Sc2ccccc2)nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1	19912285	UZISBTABUQRDDK-OEAKJJBVSA-N	445.460	3.518	50	40	IHGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1	100446028	GOBJZGGMQGRSIS-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
C=CCNC(=O)[C@@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	100868595	MKRSUBRVCDTKCJ-BZHVJNSISA-N	444.005	3.974	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1O	1436610	PVIURLSRHTWDPS-UFFVCSGVSA-N	430.258	3.891	50	40	IHGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c(C)[nH]c4ccccc34)s2)cc1	1501741	RHEYOJSFYCSURW-FSJBWODESA-N	432.509	3.581	50	40	IHGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1c(F)c(F)c(F)c(F)c1F	8856051	SBIOGPBPLHCMPV-VIFPVBQESA-N	449.295	3.899	50	40	IHGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C45CC6CC(CC(C6)C4)C5)c32)cc1	8856092	YFRUKMAXWMRBTD-PLOJUQFHSA-N	430.508	3.882	50	40	IHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	59101717	ZFJRVZLECGJZIB-CVKSISIWSA-N	435.455	3.892	50	40	IHGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	408778867	MSLLGZFJVDLXTI-HYARGMPZSA-N	442.368	3.884	50	40	IHGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(O)c(I)c3)oc12	408964448	RRCJLWPLQZUWKN-DJKKODMXSA-N	436.205	3.516	50	40	IHGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21	1777329	NSZNYPCUUDENHT-FOWTUZBSSA-N	436.899	3.603	50	40	IHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	3071442	XHVUMISZIDMXJA-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1	17097457	CWNBYFAGVWUBDH-CVKSISIWSA-N	431.448	3.830	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	20208588	XONUXDKOJFTWFV-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)[C@H]1COc2ccccc2O1	2349237	ANBGYYPCJGIJJP-AZHVYHFMSA-N	427.254	3.999	50	40	IHGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccccc1Br	9323645	CFFQSGDGPUFUBY-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
COc1ccc([C@@H](Br)[C@@]2(Br)SC(=S)N(C)C2=O)cc1	13547343	YIUGBUUADOVCKP-BXKDBHETSA-N	425.167	3.713	50	40	IHGB	
O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H]2[C@@H]3C[C@@H]4C[C@H](C3)C[C@@H]2[C@@H]4CBr)cc1	257353258	QEFDBEIHKLONII-RZNLEFLGSA-N	430.320	3.746	50	40	IHGB	
CC(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	408718155	MUMAZRQWVOQGGD-KEBDBYFISA-N	434.246	3.683	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1Br	408759262	ATDNQYPOMTWRRU-KEBDBYFISA-N	433.331	3.967	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3OC)c2C)cc1	408772091	KYXMZZDQFIACQO-YSMPRRRNSA-N	449.507	3.809	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccccc2Cl)cc1	408783893	OUNKTBFCOOOWFQ-LPYMAVHISA-N	431.901	3.587	50	40	IHGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12	408977992	GOLQLSQYHLRBMO-WMPMWDHYSA-N	436.512	3.728	50	40	IHGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cc(Br)ccc1O	409067434	YCFLQJLXCKAPME-CIAFOILYSA-N	447.289	3.817	50	40	IHGB	
O=C(O[C@@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408638544	RQAUZZCDYCLAJV-KSSFIOAISA-N	448.834	3.510	50	40	IHGB	
Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408690169	ZWWPYVODOUQVLC-RWXDJMAFSA-N	443.135	3.575	50	40	IHGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O	408789091	JDXMKMMQTSFYJH-YDZHTSKRSA-N	429.929	3.718	50	40	IHGB	
Cc1cc2c(c(=O)n1Cc1cccc(Cl)c1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	2359843	XSOFOBMNFQYDAK-OAQYLSRUSA-N	447.878	3.805	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC(=O)O	9311308	YUAGVXHAKGVQFR-VGOFMYFVSA-N	445.269	3.775	50	40	IHGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	20214190	CQRPOSSUPXONHN-UHFFFAOYSA-N	444.513	3.617	50	40	IHGB	
Cc1ccc(CN(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1	35145173	GTVPJEUNDACNDU-PCLIKHOPSA-N	435.549	3.645	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)c(Br)c1OC	408748838	IGNZVGKUVGHAQE-DJKKODMXSA-N	442.107	3.993	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Br)c1O	408759978	PJHHHMPOFHTQEE-FOKLQQMPSA-N	444.285	3.631	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1	409016693	VLCCJLMGJQMJNK-CVKSISIWSA-N	432.480	3.570	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)cc1	409027872	UQPNUARHCGYEFR-PXLXIMEGSA-N	427.551	3.656	50	40	IHGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccccc1	409224440	KCTOUMJPWPERRP-UHFFFAOYSA-N	438.281	3.776	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)cc1	9289332	QUAQKUXXQCAOEW-VXLYETTFSA-N	426.108	3.913	50	40	IHGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)Nc1ccccc1	9441941	XXOGFSANMKPVMG-UHFFFAOYSA-N	444.900	3.607	50	40	IHGB	
Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NNC(=O)c3cccs3)o2)n1	13635495	HHCQFXSVLUUNDW-UHFFFAOYSA-N	442.444	3.825	50	40	IHGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC)cc3OC)cc2)cc1	14920555	IROXJUMMUBTGCO-MFKUBSTISA-N	433.464	3.729	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	28215146	CIDOYPCHJKQKAY-AFUMVMLFSA-N	443.931	3.697	50	40	IHGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	28215439	MPQZPEFARGDXTJ-STPJHCLOSA-N	446.463	3.615	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31858966	HVPAQDOCJJZPHO-ROPUDGLVSA-N	438.553	3.693	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c2C)cc1	33548006	VBKQOFJYEUYBOW-CVKSISIWSA-N	446.507	3.993	50	40	IHGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC	58900649	CRDATGXESCKYMR-ZVHZXABRSA-N	448.435	3.628	50	40	IHGB	
CCCCCCCCCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr	100119400	PTXBWGLKLYEBIP-KRWDZBQOSA-N	447.414	3.563	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C	408966858	NVGYBJOXLAVBKX-BRJLIKDPSA-N	435.415	3.786	50	40	IHGB	
Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	2750461	IQKPIPPSUPFEHY-LSHDLFTRSA-N	431.265	3.665	50	40	IHGB	
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-n2cccn2)cc1	15602817	YHVZXGSIQRLVJV-UHFFFAOYSA-N	448.486	3.800	50	40	IHGB	
COc1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1[N+](=O)[O-]	30802449	JSBKCWMEDXAKSX-UKWGHVSLSA-N	436.262	3.512	50	40	IHGB	
O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	101052579	HWOLTBXNTJDQBE-BIEDPOGDSA-N	442.309	3.775	50	40	IHGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	408975014	HKAIOOQDDGWIKV-YSURURNPSA-N	442.813	3.682	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc([N+](=O)[O-])ccc1O	409047425	OOPZKNFDKMVPKS-ZVBGSRNCSA-N	429.772	3.676	50	40	IHGB	
CCOc1cc(Br)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409131953	PYAQXMSIRQWTQV-SFHVURJKSA-N	432.318	3.586	50	40	IHGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1	9632499	GIUPCTUAWWCGMV-ZICLHRSZSA-N	431.279	3.778	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1	59427410	LQBBQXPKEOBVBP-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
CCOc1ccc([C@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408606920	RSNCGWHOFKCXNV-SFHVURJKSA-N	445.976	3.992	50	40	IHGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc2c(c1)OCO2	408841525	JNNIYGDLUYUNGI-PGGKNCGUSA-N	448.426	4.327	50	40	IHGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1	3576531	MYXHJDHLZALFSX-DHRITJCHSA-N	432.432	3.545	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1	16292542	YGLHNNRFSBMZQW-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
COc1cc(/C=N\NC(=O)CSc2nc3ccccc3o2)cc(Br)c1O	33334618	WUNZQJVYFNPMEY-UWVJOHFNSA-N	436.287	3.547	50	40	IHGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408720152	UPRSROCYCXKNPC-DJKKODMXSA-N	438.303	3.749	50	40	IHGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=S)NCc3ccccc3)cc2)n1	3242189	FLSUDHHSGVYGND-UHFFFAOYSA-N	437.594	3.695	50	40	IHGB	
CCOc1ccccc1/C=N\NC(=O)CCCCC(=O)N/N=C\c1ccccc1OCC	4706439	ZOUDWCBUSQVXGE-MFYXSQMNSA-N	438.528	3.645	50	40	IHGB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)CCCCl)scc12	9381657	IYAQGQKJIWJAPA-UHFFFAOYSA-N	449.916	3.590	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1	13582104	PZPBOPBANIQTSD-PXLXIMEGSA-N	438.513	3.814	50	40	IHGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1	15423101	AZJSADZDMPNHNV-KRWDZBQOSA-N	441.366	3.898	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	20232905	LHLVKHCETBDZNB-XIEYBQDHSA-N	449.532	3.840	50	40	IHGB	
Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	101052532	UMCYFTQPHQBNGS-LRWRMMADSA-N	427.136	3.586	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1OCc1ccc(F)cc1	408610621	OOSUYCODLMYOLB-VSWHYLHOSA-N	449.482	3.741	50	40	IHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c([N+](=O)[O-])c1	408889031	AYASXAGXVWMUPA-NYYWCZLTSA-N	446.213	3.640	50	40	IHGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(Br)c2)cc1	408952776	MSOPRBDNUFPPKJ-UCQKPKSFSA-N	441.329	3.835	50	40	IHGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1	690866	PYIXEEMIEPILLW-DVECYGJZSA-N	444.510	3.567	50	40	IHGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	4283816	AAYBONXFXJNZJR-OAQYLSRUSA-N	440.540	3.767	50	40	IHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3F)cc2)cc1	6146191	RRXUXSMCXYVAIU-BUVRLJJBSA-N	441.484	3.789	50	40	IHGB	
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NNC(=O)c2ccoc2C)cc1	12738549	MVWKENXTBKEAAN-UHFFFAOYSA-N	430.464	3.583	50	40	IHGB	
C=CCNC(=S)NNC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C	13018850	ONKLSBUCCNSZGZ-CMDGGOBGSA-N	438.384	3.550	50	40	IHGB	
COc1cc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc(OC)c1	19639516	QDIQMCXWURWTCA-UHFFFAOYSA-N	443.953	3.747	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	408965036	FXSACRJIYGPDDG-UYRXBGFRSA-N	434.521	3.596	50	40	IHGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	409323999	QQKXPXFKLAZLNN-NRFANRHFSA-N	447.560	3.742	50	40	IHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)c1	2066950	GESOMCZIWVBYFJ-GFMRDNFCSA-N	444.329	3.757	50	40	IHGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	16157805	CXKZRMHFYJCCEJ-NTEUORMPSA-N	432.217	3.762	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC	59333047	HMXYKLOUPBXALH-RGEXLXHISA-N	435.911	3.616	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1	408586148	BKDVHFZVTLILBX-ZVHZXABRSA-N	436.468	3.712	50	40	IHGB	
Cc1c(Br)ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1C	408679934	FPMNAZYNBOFLCX-BMTCLBQJSA-N	443.135	3.575	50	40	IHGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c(C)n1C	408771169	DQZMFCKILFGBNF-UWVJOHFNSA-N	443.139	3.696	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1C	408774918	DPBFYQVOGRQDRJ-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409033197	NPZRAOOCBGDSQW-NTCAYCPXSA-N	445.431	3.597	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)c(C)c1	409255225	HKWZQVRKHQKRIE-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	28640890	UJGLINDXUJHLBI-WGARJPEWSA-N	447.491	3.799	50	40	IHGB	
CCOC(=O)COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408855452	NDAWCPRBVSJZGG-JJFYIABZSA-N	445.269	3.901	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409147257	VQMXXUYMVFZHSH-LSHDLFTRSA-N	427.800	3.930	50	40	IHGB	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1	705874	RTKWILSYKYJSQX-FQEVSTJZSA-N	446.532	3.987	50	40	IHGB	aggregator
CCCCN1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21	2646656	MZOCRVMGMIWIFA-USHMODERSA-N	443.429	3.722	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	33547962	PJGGJLJAERVDCV-MXAYSNPKSA-N	431.448	3.682	50	40	IHGB	
CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253408028	XBLCAVXFSJRLJJ-NRFANRHFSA-N	426.480	3.570	50	40	IHGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(OC)c(OC)c4)cc3C2)cc1	408720503	RVGUDZHHCMNRGH-WGARJPEWSA-N	431.492	3.997	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1Cl	409337226	XIODXUMRWMZLBD-INIZCTEOSA-N	441.940	3.737	50	40	IHGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1	681263	XFZQTTBKIACCCE-UFFVCSGVSA-N	433.258	3.985	50	40	IHGB	
C[C@H]1CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3cccc1c32	2218074	UHGPYYNTLUFVAN-RMKBEBRYSA-N	434.503	3.932	50	40	IHGB	
COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1	8780736	XIXUBNPHBLEHNB-OEAKJJBVSA-N	430.346	3.820	50	40	IHGB	
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	9886230	FGWLZBTXFWJHDH-ZGCZVDSBSA-N	448.523	3.856	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1	20059653	QKRGKQRXBHPTJC-LFVJCYFKSA-N	437.521	3.704	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)cc1	409131964	ZITAOLSNUGTPSH-BUVRLJJBSA-N	425.485	3.723	50	40	IHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1C	409266373	WGOQOTLTGABIIL-QFEZKATASA-N	446.463	3.993	50	40	IHGB	
O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	2327491	WUIHTXKLSWTTLT-VYIQYICTSA-N	433.895	3.829	50	40	IHGB	
COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)cc1OC	3355256	XCDRIMKAMHLLHJ-UHFFFAOYSA-N	435.465	3.688	50	40	IHGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccccc2Br)c1O	10060103	SQCPEYOJEZWOGQ-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2)c(=O)c1C#N	409062601	XLIDQMBGCITJLY-MRUKODCESA-N	444.253	3.622	50	40	IHGB	
C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2	409142330	YCYVLSIVPMNOFQ-OAQYLSRUSA-N	439.943	3.735	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OC	409318123	XHEGHTCRQOYPGO-QFEZKATASA-N	434.448	3.745	50	40	IHGB	
O=C(N/N=C/c1ccccc1O)c1nn(Cc2ccc(Cl)cc2)cc1Br	1091877	KMNDYJNSVSPCCL-ZVBGSRNCSA-N	433.693	3.817	50	40	IHGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1OC	9043679	DCWQDKZCNJSKEB-NYHFZMIOSA-N	447.447	3.820	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1	17649543	AVTOZELVYYFXFR-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
Cc1cc[n+]([C@@H]2[C@H](c3ccc(Br)cc3)C(C#N)=C(S)N[C@@]2(O)C2CC2)cc1	19805088	ZDYZSORIDLCNKZ-SFHLNBCPSA-O	443.390	3.737	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	38534814	GGCJKTCZDJVHDD-NUGSKGIGSA-N	442.815	3.799	50	40	IHGB	
O=C(NNC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cc2c(s1)CCC2	49622832	JURCVMVQZJJSGP-UHFFFAOYSA-N	447.560	3.703	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(C(=O)O)o1	107704017	LDLUUMCEEMVDME-FOKLQQMPSA-N	428.828	3.983	50	40	IHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O	408771361	HOHJEVZIRAXCPR-JJIBRWJFSA-N	445.585	3.689	50	40	IHGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1	9381846	WJQARZLGTRPUNX-UHFFFAOYSA-N	432.571	3.701	50	40	IHGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10475998	UKTHFPDJPZDMPI-OEAKJJBVSA-N	445.313	3.561	50	40	IHGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	16362832	WTLVXOMBGDVTOD-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccccc2I)c1	34868417	QKLSDDMALRKEHL-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21	46084977	RGZDUTACNKUNTC-RWEWTDSWSA-N	427.460	3.638	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	408598844	KJYMPHDHRZABPW-WYMPLXKRSA-N	432.904	3.962	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccc(F)cc2)cc1	408772729	QUODFSPGCRVQCV-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
COc1ccccc1OCC(=O)N/N=C\c1cccn1-c1ccc(Br)cc1	408854637	JNPBJQGBUAEWCD-XKZIYDEJSA-N	428.286	3.778	50	40	IHGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409052779	AKRGJLOAORXIDS-SSDVNMTOSA-N	427.800	3.899	50	40	IHGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	9376523	QKHCEUNUMKGRIK-LJQANCHMSA-N	437.521	3.751	50	40	IHGB	
CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)cc1	12413345	LCBIPMGNSVXRJF-VWLOTQADSA-N	428.467	3.799	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	33295052	NMCKJLLNQMECIS-OYKKKHCWSA-N	433.420	3.652	50	40	IHGB	
Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	102066134	OCYLPVMLIUPUFH-KJKVDNPUSA-N	427.136	3.586	50	40	IHGB	
Cc1cc(Br)ccc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1	408706753	DDPRYHLOFUIJEK-LSHDLFTRSA-N	449.736	3.883	50	40	IHGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409240264	SCUORJCIQZRSRV-XESZTULISA-N	448.548	3.526	50	40	IHGB	
CCC1=C[C@@](C)(CC)N2C(=O)[C@]3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32	9427268	BAULIXJSKKJMDG-FTJBHMTQSA-N	443.503	3.951	50	40	IHGB	
CCCC(CCC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1	16636890	VMLOQQZTFYIRTN-UHFFFAOYSA-N	429.586	3.992	50	40	IHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	17094706	PTGLNKATSDVNPA-SBZQOHANSA-N	426.212	3.548	50	40	IHGB	
Cc1ccc([C@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccccc2)cc1	36101826	HHGCBYHATNQVIL-ZEQRLZLVSA-N	443.528	3.729	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1	59101909	ISZLBWLFLIAEOG-LQKURTRISA-N	449.482	3.570	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCC	408729462	ZYVFXRWKLYFKMG-LPYMAVHISA-N	435.318	3.948	50	40	IHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408821205	DQGIKLLBANCXAK-OQLLNIDSSA-N	426.856	3.923	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1	409008627	YXYRZDOOWXEPQX-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2CCCC=C12	1057659	LLZKFVXCOHAUEZ-KDYSTLNUSA-N	431.499	3.981	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1	408956819	ZRHRNGUBTFNLBC-YSMPRRRNSA-N	448.475	3.674	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	408980691	SIDXTUGPYWFLHJ-XBIXJXDHSA-N	431.492	3.715	50	40	IHGB	
Cc1cc(C)c(Cc2c(C)cc(C)c(/C=C(\C#N)C(N)=O)c2C)c(C)c1/C=C(\C#N)C(N)=O	771799	GIXUONMLBYSULL-VDEHPEQNSA-N	440.547	3.912	50	40	IHGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(C)cc1	1888462	WFVDUAFFUWYSRB-UQNFDQQLSA-N	437.477	3.893	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1OC	12275127	RFSWCKBQHVQKAG-GAJHUEQPSA-N	440.496	3.876	50	40	IHGB	
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	13096328	ZHIKANBHTBDTKD-CYBMUJFWSA-N	432.933	3.722	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1ccccc1	20347834	JNXYOESAMGURON-HXUWFJFHSA-N	425.554	3.760	50	40	IHGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccccc1	20493168	VHPUMVPDDGSHIL-HAVVHWLPSA-N	431.558	3.819	50	40	IHGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	16310367	FMUXMZQYQIWBRS-WRDGEJPTSA-N	449.532	3.851	50	40	IHGB	
O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cc2cc(Br)ccc2o1	33304970	OTFMFVNWLDWWOH-XKZIYDEJSA-N	428.286	3.796	50	40	IHGB	
COc1ccc(/C(=N\NC(N)=O)[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1	104291279	FCULCYWBAAIFKT-MYYIXICXSA-N	445.475	3.563	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1	107676141	AKVHKSBOVWANAN-RCCKNPSSSA-N	441.487	3.936	50	40	IHGB	
COc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(Br)cc2)cc1	408955637	XYEAZDJIPKLKRB-LPYMAVHISA-N	428.286	3.778	50	40	IHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409372739	IHKVVQGNZDYYGV-UFFVCSGVSA-N	444.241	3.989	50	40	IHGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	409377523	HWKCSMSCUZJBQS-XNTDXEJSSA-N	432.835	3.593	50	40	IHGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O	1531384959	PLXYCJXXRUWTNA-ZVHZXABRSA-N	428.404	3.779	50	40	IHGB	
N#C/C(=C/[C@@H]1C[C@H](Br)C[C@H](Br)[C@@H]1O)C1CCC([N+](=O)[O-])CC1	5328198	OFJDVPKRJARGTD-WWEKSLTDSA-N	436.144	3.570	50	40	IHGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)CC(=O)N2)c(C)c1	9374680	GCBVNILXHUQTTF-KRWDZBQOSA-N	436.493	3.922	50	40	IHGB	
CN1C(=O)/C(=N\NC(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n23)c2ccccc21	9464670	YYLBLVOYSGYZMP-SLMZUGIISA-N	448.486	3.604	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1	19949407	YEWBRPPMKKRXIW-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)Cn2cnc3ccccc32)cc1	24036325	MIBWDSACTOQLPF-MZJWZYIUSA-N	442.475	3.552	50	40	IHGB	
COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl	28630568	FERGJZGJVWKOOP-YVNNLAQVSA-N	443.799	3.764	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	33346358	GPCMXERRHPKADD-OQLLNIDSSA-N	441.827	3.685	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1OC	409010673	CYRHAJLGCOAYRZ-QQXSKIMKSA-N	447.491	3.875	50	40	IHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1OC	13551798	QGCINVQZNLPENA-UVTDQMKNSA-N	426.494	3.976	50	40	IHGB	
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Br)c1OCC(=O)N(C)C	20670551	BHJSAYXCGPKXFU-WLRTZDKTSA-N	436.331	3.754	50	40	IHGB	
Cc1noc2nc(-c3ccccc3)cc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)c12	32870425	ZQTPWOYAKJLKGP-AWEZNQCLSA-N	434.427	3.566	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)o1	35419860	DVKCQNKDVFETDY-FOKLQQMPSA-N	428.828	3.983	50	40	IHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cc(Br)ccc1O	408592357	XWCXQOICDCKBQR-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	408613493	ZZJMKGYHKGENHS-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	3146752	HEKRQEUDRPUHDK-VMBKIOOXSA-N	425.488	3.896	50	40	IHGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1cccc(C)c1	3671381	HUOMRNCMYYFVFW-WSDLNYQXSA-N	436.306	3.616	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1	19937033	ODOFRLQROZMTKB-XIEYBQDHSA-N	449.532	3.840	50	40	IHGB	
C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)N(CCOC)C2=C1C(=O)CC(C)(C)C2	409142328	YCYVLSIVPMNOFQ-NRFANRHFSA-N	439.943	3.735	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1	8843051	WLWNEKHXAPAIEM-BUVRLJJBSA-N	438.505	3.844	50	40	IHGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2cccc(C)c2)c2cc(Br)ccc21	9273059	HGEVRMSERCWOLR-QQTULTPQSA-N	443.345	3.837	50	40	IHGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1	12039977	ISKAGVRTEHYNOL-XNTDXEJSSA-N	431.492	3.818	50	40	IHGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1I	13595570	AYVXOLSGBPJYDB-ZDLGFXPLSA-N	443.082	3.747	50	40	IHGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2	16268697	CJYSDJIDYNQEFK-RCCKNPSSSA-N	438.487	3.547	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(I)c1O	59483955	OZDRCNXLBODCRX-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	96610735	JAFLAIHMUWCIBA-AYCSXLNKSA-N	443.297	3.785	50	40	IHGB	
CCOc1cc(C(=O)NN)cc(I)c1OCc1ccc(Cl)cc1	216837654	MJSMSTICWPKNSG-UHFFFAOYSA-N	446.672	3.526	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1OC	408590505	PFBCHNCIDZLYGW-DJKKODMXSA-N	444.656	3.726	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)ccc1OCc1cccc(Cl)c1	408873203	OKAVFCQHYIIQFQ-ZVHZXABRSA-N	432.904	3.921	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OC	408963078	MGYPYAYMZJWCEW-UKWGHVSLSA-N	448.229	3.885	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)cc1C	19949300	ALVARNMMCJJCEB-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
NC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1	57582798	XMEUEJIUPVFFSK-UFWORHAWSA-N	427.096	3.793	50	40	IHGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@H]3CCC1	63225001	SEOHQMLECXEJLG-PWYGXMRTSA-N	431.496	3.701	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl	409025064	QFAMYPGFURDASM-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
CCCCCCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(=O)c2ccccc21	2290985	ANZCGGQTYWXUMA-MFKUBSTISA-N	437.496	3.766	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)cc1	1223226	PCRZDBNPYCOFEA-UHFFFAOYSA-N	433.537	3.669	50	40	IHGB	
CC1=C(C#N)C(=O)N(CCc2c[nH]c3ccccc23)C(=O)/C1=C\Nc1ccc(N(C)C)cc1	9423189	HNPVJMBTCGETQZ-KQWNVCNZSA-N	439.519	3.981	50	40	IHGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1C	12138179	VZQIAMSFKMFJNL-UHFFFAOYSA-N	434.492	3.601	50	40	IHGB	
C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1	12362339	ZBAPQUQNCNHRCP-VXLYETTFSA-N	426.654	3.930	50	40	IHGB	
O=C(N/N=C1\C(=O)N(CCOc2ccccc2Cl)c2ccccc21)c1ccc(O)cc1	46084824	ZRIPUSXCDJCMES-DAFNUICNSA-N	435.867	3.605	50	40	IHGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCC1	59435639	MPAJPCNQZGIIBJ-UHFFFAOYSA-N	433.961	3.967	50	40	IHGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)ccc1OC	408607685	UICAMLBYUFXIGS-QGZVFWFLSA-N	431.949	3.602	50	40	IHGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408610250	MYZJBAOHQSPAAE-OPEKNORGSA-N	446.290	3.932	50	40	IHGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(Br)c1	408784002	RHOIPHRWEKPUMU-WZUFQYTHSA-N	427.096	3.546	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1Cl	408934895	DGNFUDVPCATAJK-BRJLIKDPSA-N	442.878	3.984	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)cc1	409011374	HMVQVLFCPOVVOS-YSMPRRRNSA-N	447.491	3.881	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(Br)cc1	2392351	FCMUXZCLYDFGSO-UFFVCSGVSA-N	448.321	3.626	50	40	IHGB	
CCCOc1ccc(C(=O)CCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	3282066	IKBRDVFFZSZDET-UHFFFAOYSA-N	433.464	3.823	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)c(F)c2)[C@H]2CN(Cc3ccccc3)CC=C12	8442467	GFGMDGPZMISLEI-NZQKXSOJSA-N	427.458	3.890	50	40	IHGB	
Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3Cl)c3ccccc3C2=O)n1	8687715	LRKWJEMDTUKYFL-AQTBWJFISA-N	432.867	3.506	50	40	IHGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(I)cc1	102636256	KSAOLFQCJBROJF-LPYMAVHISA-N	449.292	3.988	50	40	IHGB	
Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc(C)c1Br	102644854	PINVYHJFBDEFNH-RQVRSSQJSA-N	443.135	3.575	50	40	IHGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCC[C@@H](C)C3)nc12	9347705	QZHNGBQAHZCMLU-GMYFBSLISA-N	433.556	3.595	50	40	IHGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1	10315728	VPFZKZKJAQRVRN-WGOQTCKBSA-N	433.508	3.972	50	40	IHGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3c(C#N)c(Nc4ccccc4)sc23)[C@H]1c1cccnc1	15082950	TXESHWPLFVYQLZ-INIZCTEOSA-N	438.472	3.818	50	40	IHGB	
CCCC/C(C)=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	59443999	ATBXAJYFGJPATE-LYBHJNIJSA-N	445.585	3.611	50	40	IHGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	59447272	IMMPKVPVIXETGJ-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
Cc1nnc(NC(=O)CCC(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)s1	138761983	ZVZHDQDTQADVPT-CYBMUJFWSA-N	430.313	3.642	50	40	IHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408743916	IDPIMENVYMSMHW-GHXNOFRVSA-N	432.230	3.920	50	40	IHGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1	408814389	VNNIEMPNPNOESW-AWNIVKPZSA-N	448.704	3.821	50	40	IHGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1	409261912	FHYXPPVEFQPRPB-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1OC	3169130	SHVANIDNUQUWJW-LPYMAVHISA-N	448.317	3.725	50	40	IHGB	
Cc1ccc(SCCC(=O)NN[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1	3330691	BJESEZHIQVTOOY-NRFANRHFSA-N	433.533	3.583	50	40	IHGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	4283814	AAYBONXFXJNZJR-NRFANRHFSA-N	440.540	3.767	50	40	IHGB	
CCOc1cc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C)=C2C#N)ccc1O	9110423	NYTSJXUGVBFZCV-INIZCTEOSA-N	437.521	3.810	50	40	IHGB	
O=C(COc1ccc(Nc2ccccc2)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1	9884221	HMGRJJTWGJZPNR-UHFFFAOYSA-N	445.454	3.595	50	40	IHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)/C(=N/Nc1ncnc2ccccc12)c1cccs1	11859689	MIETXLDQZDLOJR-RGJNQBSDSA-N	445.464	3.566	50	40	IHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	58913756	IJNJDZTVMWOFEM-MFKUBSTISA-N	434.496	3.590	50	40	IHGB	
CN(C)c1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(N(C)C)n1	98006107	ZKOPBWUMTCFSFW-UHFFFAOYSA-N	442.507	3.813	50	40	IHGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)N[C@H]1CCCC[C@H]1C	408708785	SRZQJVSWGNEVFN-QDHOTKECSA-N	436.512	3.582	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc([N+](=O)[O-])cc1	408819468	XESRMCHCUXLQRQ-CPNJWEJPSA-N	439.468	3.632	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1	409007418	OPOCLPRGHDKJND-WGARJPEWSA-N	432.480	3.570	50	40	IHGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409121262	XQXXNJWKBPCHDM-LSFURLLWSA-N	441.336	3.929	50	40	IHGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3-c3ccc(C(=O)O)cc3)oc12	409241964	ZNZZGXLWXYVFHH-FSJBWODESA-N	448.391	3.602	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409259536	AIFSFRSKTLQXEV-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)c([N+](=O)[O-])c1	409261676	AFBPPCPNTMCYOI-SRZZPIQSSA-N	440.368	3.544	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@@H]1c1cccc(Br)c1	409306248	ZEXSSRIGJXMYRP-MRXNPFEDSA-N	448.386	3.924	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1	409309060	AQMBUALHTDPPCC-XKZIYDEJSA-N	431.286	3.632	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC[C@H]3C)=C2C#N)cc1Cl	409323843	PRTJUWQBUHAKDR-HIFRSBDPSA-N	433.961	3.821	50	40	IHGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(O)c(I)c1	1440622	IECUBWWXGAFXSZ-CIAFOILYSA-N	430.245	3.843	50	40	IHGB	
CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1	15986322	FNEKBVNVCLINGT-UHFFFAOYSA-N	436.339	3.872	50	40	IHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O	20209704	IFNDKACTJXPVOT-XQNSMLJCSA-N	435.977	3.966	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1	33347778	XAXBPJMDNOMWPK-UCQKPKSFSA-N	444.896	3.880	50	40	IHGB	
NNC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1	57058871	SILVWUCDLGEBMW-NRFANRHFSA-N	443.334	3.915	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl	408794649	JXGCIYZFCRMISO-MHWRWJLKSA-N	442.855	3.614	50	40	IHGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408905586	ZNYVHKBGDHGTDC-OYKKKHCWSA-N	433.420	3.854	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1I	1087098	BRZINIUYYYMYFL-RQZCQDPDSA-N	429.055	3.818	50	40	IHGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cc(C(F)(F)F)ccc1Cl	408907790	RYPSESVVOXXOTF-UHFFFAOYSA-N	425.860	3.561	50	40	IHGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	408945118	WSDNVVCHTALWAM-AFUMVMLFSA-N	434.496	3.509	50	40	IHGB	
CCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409255010	KEEFZDLDPHJIIW-OHHQFBAHSA-N	444.329	3.741	50	40	IHGB	
CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OCCOC)cc2c1	6631220	BXYVDYOOSJZNRQ-IBGZPJMESA-N	443.887	3.558	50	40	IHGB	
CCCNC(=O)N(NC(=O)Nc1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1	16956817	RSZYCLGOYRKCPF-UHFFFAOYSA-N	425.898	3.636	50	40	IHGB	
O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc(COc2ccccc2)o1	21970089	ITAFFYFCVHGJLW-UHFFFAOYSA-N	434.477	3.782	50	40	IHGB	
CCCCCCCCOc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1	98044611	ALJBHTKKSICQQF-UHFFFAOYSA-N	447.557	3.733	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1O	408795582	CKNUHFBAYJVRDG-GKLIYAQQSA-N	440.281	3.607	50	40	IHGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408964224	CDMKXRLDEPCHQF-WYMPLXKRSA-N	444.260	3.634	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)nnc1-c1ccc(C)cc1	1474317	DCMWNSAENUTLJQ-HZHRSRAPSA-N	439.541	3.620	50	40	IHGB	
CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1	6147766	BQWWRGDIBBOESE-HXUWFJFHSA-N	425.510	3.575	50	40	IHGB	
COc1ccc(/C(C)=N\NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)c(OC)c1	8739749	RSQSLCSVRRMAJJ-YUMHPJSZSA-N	429.480	3.656	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3Cl)C3=C2C(=O)CCC3)c2ccccc21	13567638	AMUAXFRJIRNHPX-DEOSSOPVSA-N	430.895	3.775	50	40	IHGB	
CCOc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1	19956491	WKRWBLJSMOBAKI-UHFFFAOYSA-N	435.571	3.515	50	40	IHGB	
Cc1noc(N)c1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	32778472	ZFQYEQNIIZSVBW-KBKYJPHKSA-N	446.385	3.808	50	40	IHGB	
C[C@]1(C(=O)NNC(=O)CSc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2)C1	78877931	LATRDSWQIQDIAC-QFIPXVFZSA-N	445.972	3.522	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br	408817076	VEKWJASEPFSGCM-SDKQKANHSA-N	449.345	3.993	50	40	IHGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1	408850018	CVUYYGIWXWCNRT-UCQKPKSFSA-N	441.329	3.835	50	40	IHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)N1CCc2ccccc21	3452455	FZZMEBNEWQRPLA-XSFVSMFZSA-N	426.476	3.529	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	60117975	DMJYHRXNLTXBQB-JFLMPSFJSA-N	446.507	3.879	50	40	IHGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1	408603393	GKUZHFYUMUVQEK-HXUWFJFHSA-N	432.505	3.780	50	40	IHGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OCc1ccc(F)cc1	408612720	YLBMMMCPXVOGKD-SFHVURJKSA-N	449.482	3.910	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1	408869162	RCGSZZJIPLOWCQ-MTDXEUNCSA-N	440.503	3.998	50	40	IHGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c(C)c(C#N)c1=O	409057954	XBUMRMILHYCZNE-GATIEOLUSA-N	440.290	3.792	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C	1445364	NAAJIUJQDYWSGT-AFUMVMLFSA-N	447.447	3.960	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2CN(C(=O)OCc3ccccc3)CC=C12	6446592	SREXAAQNQAVRHK-TZIWHRDSSA-N	441.516	3.810	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1cccc2ccccc12	9355221	CJWRERDDQIWJGT-AFUMVMLFSA-N	428.448	3.863	50	40	IHGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(COc2ccccc2)o1	14245495	VAIKIQZYQSWNQJ-UHFFFAOYSA-N	441.292	3.789	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	16790923	VXFWDYHWWZKHTH-JXAWBTAJSA-N	431.452	3.507	50	40	IHGB	
Cc1ccc(-n2ccnc2)c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	72284084	DASNHSKRKRMDAE-UHFFFAOYSA-N	426.476	3.688	50	40	IHGB	
Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	408818820	QRWXNANBGNMTHS-MSXFZWOLSA-N	434.452	3.955	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1	409029317	YXYFGAFBDRCZOJ-KOEQRZSOSA-N	435.549	3.903	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409054462	GIBGYOGWICDABL-AUEPDCJTSA-N	426.812	3.720	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1cccc(Br)c1	691161	HAVILHLUXMFIDL-INIZCTEOSA-N	439.317	3.508	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1	19951679	DLSQYNZSJSFRAH-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1	27563541	UIPJOCAUXSZISG-NTEUORMPSA-N	441.827	3.685	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1	28215451	ICMKJOVZVUJVID-ZMOGYAJESA-N	436.399	3.515	50	40	IHGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1	58962527	YJQXNPWGYNGNSY-VCHYOVAHSA-N	433.899	3.934	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(OCC)c1O	59302131	OXMUITQUJHRXMY-WSDLNYQXSA-N	433.302	3.811	50	40	IHGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1OC	10272032	LADQVLXYDXYWJY-FQEVSTJZSA-N	435.505	3.502	50	40	IHGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@@H]2C(C(F)(F)F)=NN3c2ccccc2)cc1	16186457	FCOTVSBOAQUOKF-LVCYWYKZSA-N	427.430	3.941	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1	19949209	LWUCOLLFAIDNGE-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C\c2ccccc2)cc1OC	36093504	HHEOEFALCDKLRP-QQXSKIMKSA-N	428.492	3.795	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1C#N	59334326	QYOCFXWARVWSPU-IUXPMGMMSA-N	440.297	3.904	50	40	IHGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1	100279068	CZVJWRKLKFECLC-JJFYIABZSA-N	443.253	3.965	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1	408767872	ABGKJWGQOGCRRQ-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc([N+](=O)[O-])c1O	408857361	ULDVJVBBQXRORV-UWVJOHFNSA-N	434.202	3.582	50	40	IHGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)c1	13895934	WSNHFOHXQDAUIV-WSVATBPTSA-N	430.096	3.951	50	40	IHGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	13923465	NQDXMGGPXYNIPQ-CVKSISIWSA-N	435.455	3.892	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(C)c2)c2ccccc2C)cc1	16309449	WFNZNAWWVZMZIR-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	16682837	YRKIERWRSXYNJR-GDNBJRDFSA-N	429.270	3.937	50	40	IHGB	
CC1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1C=O	95627618	FGFQARDYMPPYCR-IBGZPJMESA-N	436.549	3.509	50	40	IHGB	
O=C(Nc1ccc(Br)cc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408683888	MKGZWWSQERGWQU-AJCKKNKHSA-N	449.526	3.612	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1	408782278	GPSYJVCHBYEIDU-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966916	OZEISLXTBFWSSW-FMCGGJTJSA-N	445.932	3.551	50	40	IHGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c1C	584907197	QDTRDVZAFVEZDG-JOCWXRPESA-N	430.552	3.695	50	40	IHGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)cc1	1790782	MDEZWRHDVTWKBW-XUMLYMLNSA-N	442.338	3.669	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCc1ccccc1	3254329	WRDBBCFJDXKKSV-OVCLIPMQSA-N	448.260	3.661	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl	20212992	DJHPKUAYHNZRIW-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1	23043128	LYQPNNSALMBEAO-SFQUDFHCSA-N	435.505	3.607	50	40	IHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	27840337	QSPCPMWMCMQHQE-LSHDLFTRSA-N	443.257	3.778	50	40	IHGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc3c(c2)OCO3)cc1	108166337	XVABFVXSEDMKRX-MSXFZWOLSA-N	447.403	3.615	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I	108222628	BRDFNFYSUKJDJZ-QPEQYQDCSA-N	448.216	3.544	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCc1ccccc1	408611886	XJMSBNMEBCOXCM-WGOQTCKBSA-N	447.491	3.762	50	40	IHGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)NCc1ccco1	408734541	HQQPNXVMSMDXAC-WMZJFQQLSA-N	426.064	3.734	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cc(Cl)ccc1Cl	409027992	XDLWUMXMVUJYSK-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	409262021	BXOAYMZKDCOJEE-IYAOEYEUSA-N	431.467	3.908	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1OC	409313859	RBWLCZJJODXPMH-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
O=C(c1ccc(O)cc1)[C@H](Br)[C@@H](Br)C(=O)c1ccc(O)cc1	1671974	IEIFUWWNNMXHCI-ZIAGYGMSSA-N	428.076	3.690	50	40	IHGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2)c1C	2085085	XQUGBIGFTXTFFM-MFKUBSTISA-N	439.512	3.788	50	40	IHGB	
O=C(NN=C1C=CC(=NOC(=O)c2ccccc2Br)C=C1)c1ccccc1O	3106681	DSYAZHSZWJUYIA-UHFFFAOYSA-N	440.253	3.580	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(OC)cc3)=C2C#N)cc1	3248490	IBIMXWNDBFTGBQ-LJQANCHMSA-N	437.521	3.804	50	40	IHGB	
C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	9805546	FKLMUJNGBONOBJ-CIAFOILYSA-N	433.262	3.800	50	40	IHGB	
COc1cc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc(OC)c1OC	20029491	QBGJVQHGWZHQEL-MRXNPFEDSA-N	441.509	3.520	50	40	IHGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4cccc(Cl)c4)c(=O)c23)C1	31783211	CUIZBTDJYLHPFR-LKUCAWNLSA-N	428.945	3.948	50	40	IHGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1	32905376	LGLADKGXVKKLCA-UHFFFAOYSA-N	438.867	3.663	50	40	IHGB	
COc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1	59382993	NVQNZJQVKFREPF-UHFFFAOYSA-N	429.542	3.717	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(C)=O	408756751	TVIHPMQBHZQEAH-SRZZPIQSSA-N	429.523	3.863	50	40	IHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1	408837582	JHNCYIKYMIZLSA-PTNGSMBKSA-N	448.866	3.734	50	40	IHGB	
COc1ccccc1OCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC	409205368	HRDSFIJQCFWDDN-LFVJCYFKSA-N	440.521	3.916	50	40	IHGB	
Cc1cc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)c(C)n1CCC(C)C	3436002	BQAVBUYKGCLFBD-XSFVSMFZSA-N	433.508	3.897	50	40	IHGB	
CC[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O	8017350	KGJKDPGICCIVAN-JQSQVVPISA-N	446.326	3.952	50	40	IHGB	
CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	20209025	SZFPFPKLDAXSEQ-ZVHZXABRSA-N	445.585	3.761	50	40	IHGB	
Cc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1	23109417	SUWYIQSGKLCXSE-UHFFFAOYSA-N	430.291	3.587	50	40	IHGB	
Cc1ccc[n+]([C@@H]2[C@@H](c3cccs3)C(C#N)=C(C(=C=N)C#N)N[C@]2(O)c2ccccc2)c1	33890362	VTGUYKQASLNQOV-GPXOXTDOSA-N	438.536	3.594	50	40	IHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	110253385	XKAHLPMVSAGFBZ-UFFVCSGVSA-N	444.241	3.989	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)c1C	408590289	OOFQHOAJDLKUCX-WGOQTCKBSA-N	433.508	3.972	50	40	IHGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1	408829239	OTMHHHPLKPAIPL-QINSGFPZSA-N	448.866	3.734	50	40	IHGB	
O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1ccc(Cl)cc1	409223677	HNVINCWQLXNJPP-FMCGGJTJSA-N	439.811	3.937	50	40	IHGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cccs1	695596	LJZMGJJHSDIPKM-WSDLNYQXSA-N	426.571	3.689	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)cc1[N+](=O)[O-]	982365	JSBKCWMEDXAKSX-AWQFTUOYSA-N	436.262	3.512	50	40	IHGB	
Cc1cc2cc(C)c3nnc(SCC(=O)NNC(=O)C4CCCCC4)n3c2cc1C	1223241	AMLZVOPHXRMLQU-UHFFFAOYSA-N	425.558	3.628	50	40	IHGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Br)c1OC	2502487	YBBYJIGBVYGRKG-SFHVURJKSA-N	445.269	3.803	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c2ccccc21	13567625	IHUOCKNABGMELX-AREMUKBSSA-N	440.478	3.817	50	40	IHGB	
COc1cc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc(OC)c1OC	20029489	QBGJVQHGWZHQEL-INIZCTEOSA-N	441.509	3.520	50	40	IHGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	20507173	VMESWQXRGYWECL-JVWAILMASA-N	427.504	3.795	50	40	IHGB	biogenic,in-vitro
COC(=O)N/N=C(\C)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O	31841609	CNNVOWBKVGCQGM-QYTZYVLMSA-N	437.496	3.540	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1OC	13940614	BHRMKSQUQQAVFX-CVKSISIWSA-N	436.439	3.755	50	40	IHGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)c1	16386327	GAMJDNOZNSAGBN-UFFVCSGVSA-N	429.226	3.877	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1O	408750225	YGVOHOQTOKVFGV-SRZZPIQSSA-N	446.244	3.923	50	40	IHGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O	36154310	YALDTOIQTNGTJP-BERGCFNWSA-N	428.228	3.533	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc([N+](=O)[O-])c1O	109600146	UXNSVTKLQDTUNH-DJKKODMXSA-N	430.398	3.586	50	40	IHGB	
Cc1cc(Br)cc(C)c1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	139145718	ZWWPYVODOUQVLC-LREAXHOUSA-N	443.135	3.575	50	40	IHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1	34861949	BLPBOKIMUFQNKR-AFUMVMLFSA-N	431.448	3.686	50	40	IHGB	
COc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1	408921399	HCZLHOURILFLTD-HAVVHWLPSA-N	431.558	3.737	50	40	IHGB	
N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	13567759	KXTINQUBMHCONJ-HSZRJFAPSA-N	434.858	3.890	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1cccc(C(=O)O)c1	59437437	PCCSAILQKNLEIH-BRJLIKDPSA-N	439.855	3.785	50	40	IHGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)[C@H](OC)c2ccccc2)c(OC)cc1Cl	100522725	DVVYWWMOKICYEZ-FINLKQIMSA-N	433.892	3.566	50	40	IHGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1C	408967048	PMJWHZITRRUOKP-CFRMEGHHSA-N	439.541	3.514	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)o1	409245569	VZCPJBYFCHIBLC-UFFVCSGVSA-N	441.469	3.513	50	40	IHGB	
COc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	4357739	BTBQKWNZYDFUJV-BUVRLJJBSA-N	425.489	3.546	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OC(C)C	10118621	OIVICEAHJIKVKS-RGVLZGJSSA-N	438.265	3.851	50	40	IHGB	
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O	19637722	FUTSZSWJVJTHDF-IJEWVQPXSA-N	443.327	3.745	50	40	IHGB	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	21334154	SEYGWFYKQCGTBW-UKTHLTGXSA-N	444.925	3.657	50	40	IHGB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N\NC(=O)c1cc(Br)ccc1O	35325158	QTTOKDHAUDGQEE-JJFYIABZSA-N	427.302	3.780	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	408784492	TVALLOCBTQHOIV-PCLIKHOPSA-N	435.549	3.957	50	40	IHGB	
N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408820787	YREHVLKSFMDSIM-LCYFTJDESA-N	447.207	3.878	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc([N+](=O)[O-])ccc1O	409046791	MDNAIDPVGBMWPR-AWQFTUOYSA-N	430.760	3.886	50	40	IHGB	
COc1ccc(C(=O)N/N=C(\c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)cc1OC	409051825	FEVWBENAVRBLKO-XIEYBQDHSA-N	448.401	3.600	50	40	IHGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	409108040	UPSHEYRURGUXMW-FBHDLOMBSA-N	444.241	3.745	50	40	IHGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409249899	JLAKZTNRNKFAGZ-DXRSZSRVSA-N	442.313	3.517	50	40	IHGB	
CN(CCC#N)c1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	9583478	OBESCRDFFDJHOG-DYTRJAOYSA-N	439.523	3.518	50	40	IHGB	
O=C(NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)Nc1cccc2ccccc12	11007500	WWWNGVMMTXSDFH-UHFFFAOYSA-N	449.488	3.873	50	40	IHGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	13477206	SCVVAMINXWFADL-UFFVCSGVSA-N	444.787	3.946	50	40	IHGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc2c(cc1Br)OCO2	408533991	UKVKSLXTDDIPLA-HCGXMYGOSA-N	444.207	3.759	50	40	IHGB	
CCOC(=O)/C(C#N)=C1/C(=O)N2c3c(cc(F)cc31)C(CN1CCC(C)CC1)=CC2(C)C	1554503224	PZXCURSHEAKJGD-QZQOTICOSA-N	437.515	3.920	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1OC	15476499	PLOHXANCBMPUCQ-UHFFFAOYSA-N	438.427	3.559	50	40	IHGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	17096291	YRKIERWRSXYNJR-XNTDXEJSSA-N	429.270	3.937	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1	20208199	DPCKXXNMQSDFOQ-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1	36250258	FYNDRKFZLLNUNM-OCKHKDLRSA-N	442.107	3.619	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C2/C(=O)N(CCCOc3ccccc3)c3ccccc32)c1	103041246	IMRXHTVPLUAUMI-AZPGRJICSA-N	443.503	3.710	50	40	IHGB	
CCOC(=O)COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1	107746743	CGCZKNOYJSQUBE-AFUMVMLFSA-N	436.464	3.563	50	40	IHGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCCO2)ccc1OCc1ccc(Cl)cc1	408719086	INTDATHJDZOOAZ-ZVHZXABRSA-N	432.904	3.921	50	40	IHGB	
COc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(F)cc3)CC2=O)cc1	818387	ODUQNCRILHAWPU-KXBFYZLASA-N	433.863	3.611	50	40	IHGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccn2)cc1OC	3224248	SJBZRPNAQKABHE-CVKSISIWSA-N	427.464	3.715	50	40	IHGB	
CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	96663427	QXYBYPBHUGYXFF-PDGQHHTCSA-N	438.480	3.755	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC(=O)O	408965987	YJOPINYJWJAGRK-PGGKNCGUSA-N	444.793	3.985	50	40	IHGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1O	409044473	CQYNWCIYTHPVOL-ZVBGSRNCSA-N	429.772	3.676	50	40	IHGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc(C)[nH]c3C)cc2)cc1	9468153	ZIGUWLQLHLJOKS-OEAKJJBVSA-N	440.525	3.595	50	40	IHGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNc3cccc(C)c3)cc2OC)c1	14920662	STRXSJVVTFJDDN-JFLMPSFJSA-N	447.491	3.794	50	40	IHGB	
Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)sc2ncnc(N)c12	33737047	MHDPSOVNMDWZPH-YCPBAFNGSA-N	449.496	3.662	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(F)c1	408897830	UHGSQBXQPUGCIT-ZMOGYAJESA-N	437.383	3.726	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)Cc2cccc(Cl)c2)cc1	409062587	XDXZYQHWHTXVLW-YDZHTSKRSA-N	445.928	3.583	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409200612	IXLZPSRHABHIAT-CFRMEGHHSA-N	436.424	3.953	50	40	IHGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	2098614	PXIKZFVERXCJPZ-ZVBGSRNCSA-N	440.239	3.940	50	40	IHGB	
CC[C@H](Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc(F)cc1	2750761	MTHZJRJVOFAJMW-YODDIOPGSA-N	425.245	3.771	50	40	IHGB	
O=C(COc1ccc(I)cc1)N/N=C/c1c(O)ccc2ccccc12	3096669	NWPRBMLUQPAYPV-SRZZPIQSSA-N	446.244	3.679	50	40	IHGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(CC)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567720	GWWXZFLAVNLUHN-NDEPHWFRSA-N	448.526	3.688	50	40	IHGB	
COc1ccc(N(C(=O)CC(=O)N/N=C(\C)c2ccccc2)C(=O)c2ccc(F)cc2)cc1	16136841	CYDLYJKRPOSAIU-WPWMEQJKSA-N	447.466	3.938	50	40	IHGB	
CCCn1c(O)c(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccccc21	17161498	HHLMSRMWPWRSJZ-WSDLNYQXSA-N	428.286	3.644	50	40	IHGB	
CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)no2)=C(C#N)[C@@H]1c1cccs1	20528937	QVEQOOHUXRZOIG-GOSISDBHSA-N	444.538	3.676	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C#N)c2C)cc1	40161330	PROYCUPYFJZWOU-JFLMPSFJSA-N	444.491	3.672	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1ccccc1Cl	409224503	KOFVRYLSNVYEJZ-KPKJPENVSA-N	434.677	3.512	50	40	IHGB	
COc1ccc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)cc1Br	865334	NRWZZVIVKXNPAT-AWQFTUOYSA-N	436.262	3.512	50	40	IHGB	
Cc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1	19950205	IVNCKJSPKWLFLD-BUVRLJJBSA-N	441.940	3.994	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(I)c1OC	30725560	CRUYEULICOKUBJ-OCKHKDLRSA-N	444.656	3.726	50	40	IHGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1	30806480	NTBRTUAAIWCUFU-UHFFFAOYSA-N	442.475	3.860	50	40	IHGB	
CO[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431172	VSTJWUMERKEGGP-VJANTYMQSA-N	449.297	3.594	50	40	IHGB	
C[C@@H](CC(=O)NNC(=O)CC1CCCCC1)CC(=O)Nc1cccc(Br)c1	9850328	CTYKICNKDVMNDE-CQSZACIVSA-N	438.366	3.922	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC	58882624	QPCJGCJRBZLQDG-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408609665	KZHUHCOQONZDCR-BHGWPJFGSA-N	438.311	3.557	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408707921	MOIRPPLTQSLPJI-YDZHTSKRSA-N	431.334	3.868	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1	408884108	VZKHIFAAKAXXFG-OEAKJJBVSA-N	444.896	3.637	50	40	IHGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408998635	RQGJEQUMYHHCJK-YDZHTSKRSA-N	447.407	3.828	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1	409063207	IPODARTYJQUWTP-WGOQTCKBSA-N	449.576	3.953	50	40	IHGB	
CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cc(OC)ccc1OC(C)=O	705658	FEGGPYQCESYHGX-YPKZHZFPSA-N	449.301	3.691	50	40	IHGB	
COc1ccc(OC)c(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(O)c3)C3=C2CCCC3=O)c1	1064711	ZCCNAWLBIWNSLD-QHCPKHFHSA-N	447.491	3.723	50	40	IHGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(I)cc1	10476071	GLIRIHUEEVPHGO-CAOOACKPSA-N	445.054	3.523	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc2ccccc12	19955297	HCAWQKBNXOHBHC-MFKUBSTISA-N	447.516	3.615	50	40	IHGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	408759925	OFXMNIIEMVCTQM-RCCKNPSSSA-N	432.501	3.986	50	40	IHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	409087185	GUAIITSPUUJHRF-WNFQYIGGSA-N	446.179	3.775	50	40	IHGB	
O=C(NNC(=O)c1cnn2cccnc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	12553523	MFJAUTKJPWQLDV-UHFFFAOYSA-N	442.866	3.673	50	40	IHGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	28215441	QFNFVGJMRPXZRX-ZVHZXABRSA-N	432.436	3.685	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1	408599164	PMUHBMDDTXVBPP-ZVHZXABRSA-N	434.452	3.943	50	40	IHGB	
O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408689003	XKMPKJDRBUFAOQ-AJCKKNKHSA-N	449.526	3.612	50	40	IHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408776055	LMPVXEQWOZZMCA-BJRSOBTISA-N	445.519	3.780	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(Br)c1O	1009464	ZLAQIBZPSZHBPM-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)CC(=O)N2)cc1	2309961	ACTDAZOMNPXIRI-QGZVFWFLSA-N	435.505	3.688	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1OC	8721545	DOZROMCNRANGHE-VOOSTVSPSA-N	434.448	3.608	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1C#N	108893115	FINZQGHSNDDYLC-JFLMPSFJSA-N	442.475	3.868	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c[nH]c2ccccc12	409014055	LWAZCGZDXYWBMJ-VATWTLTGSA-N	434.540	3.845	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(I)c1OC	409191815	NZBKDYROZJTQGT-JYRVWZFOSA-N	440.281	3.664	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(I)c1O	408591575	UYMAUDYCPRPPCX-DJKKODMXSA-N	444.656	3.813	50	40	IHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408638545	RQAUZZCDYCLAJV-RDTXWAMCSA-N	448.834	3.510	50	40	IHGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OCC(=O)Nc1ccccc1	409239253	MGJUYJZSLTUVQG-YSMPRRRNSA-N	435.455	3.545	50	40	IHGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1C#N	843139	BJIWYCQLYDPSFL-OPEKNORGSA-N	438.871	3.851	50	40	IHGB	
N#C/C(=C/[C@H]1C[C@H](Br)C[C@H](Br)[C@@H]1O)C1CCC([N+](=O)[O-])CC1	5328199	OFJDVPKRJARGTD-STMSDVMYSA-N	436.144	3.570	50	40	IHGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	8989810	OBMOCQIAYPLDAW-UFFVCSGVSA-N	444.787	3.946	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1Oc1nc(Cl)ncc1F	13136358	SVNKYZJUZXETJS-YSURURNPSA-N	430.823	3.930	50	40	IHGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccn1)c1cccc(I)c1	16322115	CUCVGUBDKOCNAO-ZGXHQARYSA-N	425.295	3.707	50	40	IHGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408889278	BZEHFEBCJZXSRO-SFQUDFHCSA-N	449.444	3.908	50	40	IHGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1OC	408912769	RIFOGUKJHHDWAP-SVVBGHPLSA-N	441.528	3.682	50	40	IHGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCc4ccccc4C3)=C2C#N)cc1	409324001	QQKXPXFKLAZLNN-OAQYLSRUSA-N	447.560	3.742	50	40	IHGB	
Cc1cc(Br)cc(/C=N/NC(=O)CNc2cccc(Br)c2)c1O	2744513	CJAPGYCYQMPOOY-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
C/C(=N\NC(=O)CCCC(=O)O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O	9168713	CFLPDLZFUOOSIG-DHRITJCHSA-N	425.872	3.944	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	9281509	DMRMVEVYZQGJKI-XDJHFCHBSA-N	429.457	3.825	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC(=O)O	19869045	XNFCXKRQCGODPW-RIYZIHGNSA-N	445.269	3.857	50	40	IHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408813903	FVPBXYUHPWADPC-UKWGHVSLSA-N	448.229	3.885	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc([N+](=O)[O-])cs2)[C@@H]2CN(Cc3ccccc3)CC=C12	8951324	ZQLQRCNREWCEPL-TZIWHRDSSA-N	442.504	3.582	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nnc1-c1ccc(Cl)cc1	9019642	QROFMSSOSZLMHD-LPYMAVHISA-N	429.933	3.957	50	40	IHGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	12784033	MJZYPOCLZNHPRO-UHFFFAOYSA-N	445.928	3.931	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1O	36032842	GWFRJCYMWKFDLX-ZVHZXABRSA-N	435.436	3.895	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OS(=O)(=O)c1ccccc1	59194665	IRNXZXYMKFRRAE-LFVJCYFKSA-N	438.505	3.925	50	40	IHGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2)cc1	408753020	KTKMSEDXIFELEO-WGOQTCKBSA-N	447.491	3.875	50	40	IHGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	409024363	XJPLENARPGYTIV-UUYOSTAYSA-N	428.832	3.595	50	40	IHGB	
C#CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	409135387	UWBIXAHXXIEJRL-LJQANCHMSA-N	441.281	3.784	50	40	IHGB	
COc1ccc(CCC(=O)NNC(=S)Nc2ccccc2)cc1CN1CCCCC1	4994890	CIWVVSLRORZYLN-UHFFFAOYSA-N	426.586	3.632	50	40	IHGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CC2(C)OCCO2)c1C	8385832	NYYJDOKKDGKJDI-WSDLNYQXSA-N	434.334	3.768	50	40	IHGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C	408589351	LLMXEGUQEOFLID-FOKLQQMPSA-N	436.424	3.504	50	40	IHGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C	408590908	RJJAZSDYNAIZLI-MFKUBSTISA-N	448.479	3.872	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408706743	CYIRUQTUXNGXAD-YDZHTSKRSA-N	431.334	3.868	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1O	408795557	VRKFCJJWNSBBGJ-RIYZIHGNSA-N	445.269	3.886	50	40	IHGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1C	1093769	WCAMPMVYBJUOAV-AFUMVMLFSA-N	446.463	3.993	50	40	IHGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)CCC)cc1	15423096	DWYTVZBIYKFQCD-INIZCTEOSA-N	427.339	3.652	50	40	IHGB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1	16790927	HBOONJONKCDOTD-SILNSSARSA-N	430.508	3.998	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408900172	TWPDITMCWKGLIS-VZUCSPMQSA-N	436.207	3.911	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1	9665646	FUNMSKBZAQTUSS-CIAFOILYSA-N	426.325	3.542	50	40	IHGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1	17360097	LYNFMYGIDRNADJ-UHFFFAOYSA-N	427.526	3.765	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2cccc(C)c2)cc1	409221859	BDHISCCUTIRJSI-OYKKKHCWSA-N	433.420	3.895	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1Cl	3335134	AHLTZOWYKANEJH-BRJLIKDPSA-N	438.871	3.525	50	40	IHGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	8683196	KPURNVUPLBEYBB-UVHMKAGCSA-N	426.476	3.981	50	40	IHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	9305993	NRYAWOFDQFRLAX-CVKSISIWSA-N	431.492	3.850	50	40	IHGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)ccc1O	12275730	CFGXOIAOQLKDKZ-QVKFZJNVSA-N	428.897	3.697	50	40	IHGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	104368319	GZWZHTNTFUEAFR-ATVHPVEESA-N	435.263	3.646	50	40	IHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)ccc1O	408765361	LFNFHVPHFHHSJF-LCYFTJDESA-N	434.233	3.941	50	40	IHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	409236933	GZUGTTWLIZCRRS-YZSQISJMSA-N	432.524	3.703	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)c(Br)c1O	1099774	WUQZNVBOOGVHAH-DJKKODMXSA-N	442.107	3.619	50	40	IHGB	
COc1cc(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)cc(OC)c1O	3349981	VTEUBFHXMZJMJH-AFUMVMLFSA-N	436.464	3.518	50	40	IHGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC	8812914	KTDUFMSMIAMYBJ-LPYMAVHISA-N	431.286	3.632	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	14244267	JLJAOZCLSCFGJN-GFCCVEGCSA-N	433.892	3.760	50	40	IHGB	
CCCOc1ccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	27224895	VIJVHFYQMCGOQJ-OFNKIYASSA-N	431.540	3.618	50	40	IHGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccccc1Cl	58914118	BQHMOXNEENLWEN-YUMHPJSZSA-N	436.943	3.947	50	40	IHGB	
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408685621	LWJOPMARZZQWPC-VWQYPGANSA-N	428.282	3.988	50	40	IHGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c1	408775973	LJZSSNLIJHBZHT-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408889998	MIHHZKBOYNCQAH-GXDHUFHOSA-N	432.217	3.623	50	40	IHGB	
O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)NNC(=O)c1ccccc1	9200170	PXYCEGLBWZOPFH-UHFFFAOYSA-N	444.516	3.803	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC	59433870	NQCTUKHLFSWSDL-MFKUBSTISA-N	449.463	3.594	50	40	IHGB	
C[C@H](OC(=O)c1ccccc1/N=N/c1ccc(O)cc1)C(=O)NNC(=O)c1ccccc1	102904854	AZHQUYGVFISBNE-JAFLTTMTSA-N	432.436	3.814	50	40	IHGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408601931	CKRZBMBVLCWQQI-YSURURNPSA-N	440.714	3.978	50	40	IHGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc2ccccc12)OCc1ccccc1	408987184	DYTCTSBZRGQGCZ-RYIRVSIUSA-N	441.491	3.551	50	40	IHGB	
O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NNC(=O)c1ccccc1F	2651351	QMOSUXHACPOBRU-HXUWFJFHSA-N	439.874	3.802	50	40	IHGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	6077076	YYZUVZSBYQHDES-AREMUKBSSA-N	442.494	3.897	50	40	IHGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Br)c1O	8837973	WUNZQJVYFNPMEY-UFWORHAWSA-N	436.287	3.547	50	40	IHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)c([N+](=O)[O-])c1	9355264	DEBXEDFQYRQZPZ-NVFPLGJGSA-N	449.419	3.644	50	40	IHGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1Cl	20493215	IDXSYBUIFAZDPL-AWQFTUOYSA-N	434.732	3.563	50	40	IHGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C1c2ccccc2Oc2ccccc21	57476918	RMKUGYOAHRCMSC-JJFYIABZSA-N	434.364	3.597	50	40	IHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	108252992	SPKCDTULJQPWSP-BHGWPJFGSA-N	442.855	3.738	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)C[C@H](NC(=O)OCC)c2ccccc2)cc(OCC)c1O	409003675	UCVLMXYGICDUJP-KXWHUPIZSA-N	439.512	3.847	50	40	IHGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1OCc1cccc(C(=O)O)c1	409224538	IELBMPQCYGUPMP-WGARJPEWSA-N	436.439	3.804	50	40	IHGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	34859529	ZLKGWPDKDIPCBB-QGOAFFKASA-N	443.459	3.964	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1	59101843	LOGCRJIJYWCZBD-CVKSISIWSA-N	435.455	3.892	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2c(F)cccc2Cl)ccc1I	408746955	ILHFXZWJDFXIEP-UFWORHAWSA-N	432.620	3.856	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)ccc1I	408747722	RZNQQKOVODCDEE-KEBDBYFISA-N	433.249	3.853	50	40	IHGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409258048	SWFUIUCVGIVVJA-OYKKKHCWSA-N	432.436	3.685	50	40	IHGB	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccs2)cc1OC	8829319	AMAUHKMGAJHQFM-NQENTZOJSA-N	435.505	3.687	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)o1	9884956	RQAISDJFTYRULO-UHFFFAOYSA-N	438.871	3.631	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br	12284798	NOONDSMCVJJAJR-UHFFFAOYSA-N	432.318	3.817	50	40	IHGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	12934074	LWNPBVUYKUIFKH-UHFFFAOYSA-N	439.516	3.675	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21	13567617	NLESXFNMCZLUPR-AREMUKBSSA-N	440.478	3.817	50	40	IHGB	
Cc1cc(OCc2ccc(C(=O)NNC(=O)c3c(C)nn(C)c3Cl)cc2)ccc1Cl	14305509	FISYEWVBIMIUOA-UHFFFAOYSA-N	447.322	3.998	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)ccc1O	30743149	PLHTXSOYJHPOLM-QRVIBDJDSA-N	439.541	3.620	50	40	IHGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccccc2I)o1	101140092	GUDNQHQIHMCYKM-NTEUORMPSA-N	444.228	3.773	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)c1	107640044	NUHZFZNTLQAFSR-JFLMPSFJSA-N	445.475	3.927	50	40	IHGB	
CCOc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	107868987	VHEKQCOKFZPRQS-KOEQRZSOSA-N	433.464	3.770	50	40	IHGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408612900	XJAALISBSHMKEK-MZJWZYIUSA-N	439.874	3.825	50	40	IHGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409229095	JRPIOHFBUYQYAP-WQRHYEAKSA-N	442.899	3.556	50	40	IHGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	1445332	RHZODUOAOQCKDY-VULFUBBASA-N	433.851	3.960	50	40	IHGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc(Br)cc21	1512130	IXWOORWBSZKMQC-UHFFFAOYSA-N	443.084	3.607	50	40	IHGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(OC(C)C)c(OC)c2)cc1	2709826	BFOLHYXOCKWGDA-FQEVSTJZSA-N	425.510	3.791	50	40	IHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1C	4132003	MPCHLXGWEFPHHZ-DNTJNYDQSA-N	436.262	3.517	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)CO2	4780219	DABNGDSZERQCOS-PWYGXMRTSA-N	448.479	3.973	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	13922684	OCGYUGFXKZKSDR-CVKSISIWSA-N	435.455	3.892	50	40	IHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	33155020	KOAJVHYFZCPHEJ-FOKLQQMPSA-N	426.816	3.965	50	40	IHGB	
O=C(N/N=C1\[C@@H]2[C@H]3/C(=N\NC(=O)Nc4ccccc4)[C@H]4[C@@H]1[C@@H]1[C@@H]2C[C@H]3[C@H]41)Nc1ccccc1	104202349	TYRFZTBYWFHEKN-ZWWUDUNXSA-N	440.507	3.730	50	40	IHGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc4ccccc34)c(C)c(C#N)c2=O)cc1	409247243	CQFJMOXPXTZPIS-NTFVMDSBSA-N	435.487	3.892	50	40	IHGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409327155	QKJPKISTPNBJQQ-CJNGLKHVSA-N	448.386	3.922	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1	1326115	RKVYBYFIPSTESD-ZDUSSCGKSA-N	440.594	3.986	50	40	IHGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2OC)cc1	1433729	ORPXDCIMLHAWLZ-LPYMAVHISA-N	434.334	3.833	50	40	IHGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2)cc1	2312194	MXLWDOSNYCQROU-GOSISDBHSA-N	425.485	3.935	50	40	IHGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(F)cc3)=C2C#N)cc1OC	9015532	LQWJTQZTTWNYPL-INIZCTEOSA-N	441.484	3.553	50	40	IHGB	
Cc1noc(C)c1COc1ccc(CC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1	9379370	WVGPNTAWNATMKD-UHFFFAOYSA-N	444.491	3.665	50	40	IHGB	
O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408689005	XKMPKJDRBUFAOQ-BOKPKCGUSA-N	449.526	3.612	50	40	IHGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1	409250997	SLXBSLXMGWKDLP-YSMPRRRNSA-N	435.455	3.545	50	40	IHGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	6015258	LEIKPUAAXNCYOE-JOCHJYFZSA-N	449.532	3.936	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1	12489967	SSAWLTFWYVCOGX-ZDUSSCGKSA-N	426.567	3.820	50	40	IHGB	
CCOC(=O)c1csc(N(NC(=O)NC2CCCCC2)C(=O)Nc2ccccc2)n1	16956828	HIONJUBNSUVBBB-UHFFFAOYSA-N	431.518	3.905	50	40	IHGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1O	100063782	RCJGIRHKBWKUPF-SGWCAAJKSA-N	442.563	3.864	50	40	IHGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cc(Br)ccc1F	100201237	FTOHIZILUXPTIO-HNNXBMFYSA-N	425.213	3.729	50	40	IHGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	409005165	CVVGJBJYIFAYCX-WGOQTCKBSA-N	431.492	3.714	50	40	IHGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	409196742	WZIHVRCFBYTHOL-DQYQWZCESA-N	445.519	3.931	50	40	IHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1	840386	IIKSHPMIGJYXIB-SECBINFHSA-N	432.101	3.984	50	40	IHGB	
Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c(C)c1	2795532	RIQLXVPBMOEOGO-LBPRGKRZSA-N	438.395	3.533	50	40	IHGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2N)cc1	3311297	SBIJAVIGZTWXBC-UHFFFAOYSA-N	445.552	3.890	50	40	IHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1C	24836447	HZNATTMCYXZKTI-HNNXBMFYSA-N	443.500	3.707	50	40	IHGB	
CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c1	33691983	ZJILLDVRZFAHGA-VBKFSLOCSA-N	449.479	3.864	50	40	IHGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OCC(=O)O	59301972	FPFIQYJDLSFDBT-AUEPDCJTSA-N	437.279	3.958	50	40	IHGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc3c(c2)OCO3)cc1	108166617	OJTMQNCDDRWOJO-MSXFZWOLSA-N	447.403	3.615	50	40	IHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	408749038	KKGNFQXQJJHNSK-UFWORHAWSA-N	442.107	3.998	50	40	IHGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)nnc1-c1ccccc1	863984	UNIHCAMKJIJXEJ-HZHRSRAPSA-N	437.525	3.523	50	40	IHGB	
N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	3075240	PXADFEKUGQTVRW-XZOQPEGZSA-O	441.467	3.585	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc(Br)c1O	3254981	RKPLMRFSUSZNKH-LIMNOBDPSA-N	446.223	3.744	50	40	IHGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	19955356	AOLLOIWKFUMQEF-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(F)c(Br)c1	20086257	ZFYAWIISEUTQSB-MRXNPFEDSA-N	426.245	3.658	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	32624727	NSDHCBUVRBJTFP-GHXXYLLISA-N	429.451	3.800	50	40	IHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	408588101	HVNUHZHXUNUSEF-DHRITJCHSA-N	428.448	3.862	50	40	IHGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	408963436	ZLZGMQIUVRGVDC-ATVHPVEESA-N	448.910	3.699	50	40	IHGB	
N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1)C(=O)NC[C@H]1CCCO1	409198169	YVWSNSXVUQCWTN-OVWUPXBPSA-N	426.900	4.000	50	40	IHGB	
CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc3ccccc23)N1	1241324	PGPXSDUHGKWMSG-QFIPXVFZSA-N	444.516	3.986	50	40	IHGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	12364613	HGOMDOJMVCFEPY-JVWAILMASA-N	427.504	3.934	50	40	IHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1	27563543	AATPPGGBHQNAGQ-MHWRWJLKSA-N	441.281	3.886	50	40	IHGB	
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)CO2	28616225	DABNGDSZERQCOS-QERUCQRHSA-N	448.479	3.973	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1	408612688	WYCYPPBCLBWSPL-VEMGOHLESA-N	445.519	3.992	50	40	IHGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1	408921448	HTHZBPRTSKXYEV-AUEPDCJTSA-N	447.866	3.584	50	40	IHGB	
O=C(N/N=C\c1cc(Br)c(I)o1)Nc1ccccc1	408952789	MUZZVUMDFMNDMM-CHHVJCJISA-N	434.031	3.802	50	40	IHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc3c(c2)OCO3)cc1	829881	TZHCWQRGDPXECV-LGJNPRDNSA-N	431.448	3.505	50	40	IHGB	
N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)NCc1ccccc1	3644025	DWGRZOHFUJQXPD-NBVRZTHBSA-N	440.434	3.849	50	40	IHGB	
COc1cccc(N/C=C2\C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C(C#N)=C2C)c1	9423020	QVTDNBQBEQPPRQ-JCMHNJIXSA-N	426.476	3.924	50	40	IHGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408791008	ZXWBAHRSEXNLHV-NTEUORMPSA-N	445.269	3.642	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)cc1	408795121	LAGWWFSEAMEDPM-XNTDXEJSSA-N	440.253	3.684	50	40	IHGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cc(Br)c1O	1052557	JKIRENLTKBYHGO-DNTJNYDQSA-N	441.123	3.788	50	40	IHGB	
Cc1ccc(C)c(NC(=S)NNC(=O)c2cc(C3CC3)nc3c2c(C2CC2)nn3C)c1	17099146	BHNBOOGDTJDPIB-UHFFFAOYSA-N	434.569	3.971	50	40	IHGB	
Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=C(/C#N)C(N)=O)cc1	23402397	WSPPPUNMKCDTHY-ATVHPVEESA-N	445.313	3.624	50	40	IHGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1	408978983	KRHUVIQYSRBMNQ-PXMCARDJSA-N	449.463	3.972	50	40	IHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1OC	409360221	DJWJHSDMYZCBGN-FSJBWODESA-N	427.388	3.704	50	40	IHGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl	12857199	UVZMVZFWXGCYPH-INIZCTEOSA-N	437.279	3.738	50	40	IHGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	13576213	ZKSFMASQLANRIT-DMGPTTAYSA-N	446.594	3.744	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	19639805	PVQBAKKYVWBWEO-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)C(=O)Nc1cccc(Cl)c1	408855212	AKCGAUGFLGIBNT-WUXMJOGZSA-N	434.677	3.512	50	40	IHGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409084598	MJLBFZVCKSRQLD-LSHDLFTRSA-N	427.800	3.930	50	40	IHGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1	409143242	MBSNANYMROQPEP-RTBURBONSA-N	442.924	3.890	50	40	IHGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OC	409326600	MGTBGJHRMMXXMZ-QFEZKATASA-N	434.448	3.745	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1O	8812604	SHQCAYSFBNQLEI-AWQFTUOYSA-N	427.682	3.979	50	40	IHGB	
CSCc1nc2sc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2c(=O)[nH]1	12800762	RVVCJNSDCQVBDK-UHFFFAOYSA-N	444.582	3.528	50	40	IHGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@H]2CN(Cc3ccccc3)CC=C12	13512748	DBMWCXFMDACMRF-JTHBVZDNSA-N	427.458	3.890	50	40	IHGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N3c4c(cc(F)cc41)[C@H](C)CC31CCCC1)C(C#N)=C(N)O2	14162338	AQYRMVCWAXNQDI-XELLLNAOSA-N	447.466	3.626	50	40	IHGB	
COc1ccc(OC)c(/C=C(\C#N)c2nn(CCO)c(/N=C/c3ccccc3F)c2C#N)c1	16215190	ONZBHVODBKLGDP-ALOHBKLBSA-N	445.454	3.718	50	40	IHGB	
N#CC1=C(SCC(=O)N2CCc3ccccc32)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1	25422092	WHDBKMFHIPZWKY-HSZRJFAPSA-N	442.544	3.833	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OC	33653895	DHHKLYOQHNHSJV-SRZZPIQSSA-N	434.290	3.579	50	40	IHGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1	408708577	QPOARHTYVBCPFJ-SSDVNMTOSA-N	437.725	3.822	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCCc1ccccc1	408798043	UJXFQGFAIWAHIH-JJIBRWJFSA-N	439.515	3.648	50	40	IHGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccc3F)cc2)S(C)(=O)=O)cc1	409026312	LPZXYVJFSHFILU-MFKUBSTISA-N	439.512	3.864	50	40	IHGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1	409320621	QRXBWGBQKZKPTJ-GOSISDBHSA-N	441.940	3.737	50	40	IHGB	
O=C([C@H](Br)[C@H](O)c1ccccc1)[C@H](Br)[C@H](O)c1ccccc1	5014572	PRGWTZPLJPCVJZ-KLHDSHLOSA-N	428.120	3.550	50	40	IHGB	
Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4cccc(Cl)c4)CC3)c2c1C	22401198	HKEPHWUFLGVMSY-UHFFFAOYSA-N	443.960	3.639	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1	59166242	YREYLCYPZRJFRK-ZMOGYAJESA-N	449.419	3.645	50	40	IHGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Cl)c(Cl)c1	59679498	XDKRUULOGXQBTD-AWQFTUOYSA-N	447.116	3.949	50	40	IHGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1ccccc1	100964893	QSNYQXXHDVJRSK-OAQYLSRUSA-N	425.554	3.713	50	40	IHGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1	408793965	GVGARBWOOOWBAW-AWNIVKPZSA-N	449.246	3.789	50	40	IHGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1	409321968	KBWBJTIKLIYRIR-XKZIYDEJSA-N	431.286	3.632	50	40	IHGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)C1CCCCC1	9157860	BORMDGXWMZOYJM-UHFFFAOYSA-N	435.553	3.754	50	40	IHGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	12276893	QCKHDZXRWFOIEB-QGZVFWFLSA-N	436.493	3.868	50	40	IHGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(Cl)c1	16487731	UKUFZIQIRYVMSA-HZHRSRAPSA-N	427.913	3.686	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1C	30843161	MXURUFPTTVEZJB-ZMFRSBBQSA-N	446.459	3.780	50	40	IHGB	
COc1cc(Br)c(/C=N/NC(=O)c2cc(Cl)ccc2OC)cc1OC	34200993	XZPBWIAKQVXOIU-AWQFTUOYSA-N	427.682	3.892	50	40	IHGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc1	409040212	HMWZTGHKYHGMAT-DTQAZKPQSA-N	430.460	3.697	50	40	IHGB	
COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1	655111	IBLBYMOMDRCDFN-UHFFFAOYSA-N	446.503	3.846	50	40	IHGB	
O=C(CCNS(=O)(=O)c1ccccc1Cl)NN(Cc1ccccc1)c1ccccc1	13134464	AEKNOWKTFBDNKD-UHFFFAOYSA-N	443.956	3.746	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1	28216847	WLRJNZFFSXXNCQ-JVWAILMASA-N	434.515	3.829	50	40	IHGB	
CC(C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95682018	HGCLQDSLHJXYPP-UHFFFAOYSA-N	449.335	3.806	50	40	IHGB	
NNC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1	216820354	JEJPDWGDDZCNQL-UHFFFAOYSA-N	437.064	3.781	50	40	IHGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	409184572	HAEKXQNCGQXFRM-ZVBGSRNCSA-N	448.759	3.872	50	40	IHGB	
O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1cc(Br)ccc1O	409216442	LECBKMBTUHEYTG-REZTVBANSA-N	443.051	3.589	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC	1052215	DHIXIAATNZEFIY-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3s2)cc1	6172991	WQTYFCYDPMCFTI-UHFFFAOYSA-N	432.571	3.864	50	40	IHGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1OC	6300272	FUPWFUXZDMYEOS-GOSISDBHSA-N	438.509	3.999	50	40	IHGB	
C/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccccc1	9357458	DYLFXXQDPYSMTA-BKUYFWCQSA-N	444.358	3.877	50	40	IHGB	
N#CC1=C(N)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	13567760	KXTINQUBMHCONJ-QHCPKHFHSA-N	434.858	3.890	50	40	IHGB	
CCc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16161349	ODPYVCYRKKFFRD-KOEQRZSOSA-N	435.549	3.590	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc2c(c1)OCO2	30774253	RPYYVAMIBSZKNI-ROTLSHHCSA-N	436.395	3.546	50	40	IHGB	
Cc1ccc([C@@H]2[C@@H]3C(=O)OC(=O)[C@H]3C3(C(=O)c4ccccc4C3=O)N2C2CCCCC2)cc1	97949413	LARDTZQEAYSVKI-BHIFYINESA-N	443.499	3.818	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1OCC#N	408749318	FRVAGJKLQVXYOB-JVWAILMASA-N	449.894	3.637	50	40	IHGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1	409231705	FTXLEBPLYBEUAH-YZSQISJMSA-N	432.524	3.703	50	40	IHGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(Cl)cc1	778207	VVAOXIGDJYKLRB-SDNWHVSQSA-N	427.869	3.793	50	40	IHGB	
COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)c1OC	795175	DKGLMMHELWBLMB-QGZVFWFLSA-N	437.521	3.723	50	40	IHGB	
O=C([C@@H](Br)[C@@H](O)c1ccccc1)[C@H](Br)[C@H](O)c1ccccc1	5004968	PRGWTZPLJPCVJZ-GEEKYZPCSA-N	428.120	3.550	50	40	IHGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)COc1ccc(Cl)cc1Cl	13562713	DRCYMKUAVJEAKB-ZMOGYAJESA-N	437.327	3.959	50	40	IHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1OC	408546010	CCVADHRHGAZEME-LICLKQGHSA-N	448.500	3.844	50	40	IHGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1	408708652	SBFDWYHSXPIPOS-XMQIJXBMSA-N	449.338	3.791	50	40	IHGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O	408786202	GYFADCOJJCCDBH-YDZHTSKRSA-N	429.929	3.718	50	40	IHGB	
N#CC1=C(O)N(CCc2ccccc2)C(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	3075238	PXADFEKUGQTVRW-GOTSBHOMSA-O	441.467	3.585	50	40	IHGB	
CCOC(=O)C(Cc1ccccc1)(C(=O)OCC)[C@@H](Br)C(=O)c1ccccc1	8652265	YHUVJTGGAOGAAZ-IBGZPJMESA-N	447.325	3.988	50	40	IHGB	
COc1ccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1OCCN1CCOCC1	19638976	GTSBZUNJXTVSBY-HMMYKYKNSA-N	443.588	3.644	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(F)cc1	408860080	RPHXTEOGVANNMN-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O	409405940	PLXYCJXXRUWTNA-UHFFFAOYSA-N	428.404	3.779	50	40	IHGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1	19926351	DJIVGSWPKDZCDZ-UHFFFAOYSA-N	429.542	3.635	50	40	IHGB	
CCCC/C(C)=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	59435424	NEQCWWULFAEDHJ-PTGBLXJZSA-N	431.558	3.568	50	40	IHGB	
COc1cc(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OC	408742257	OAGWOJJTSFQMJA-JYRVWZFOSA-N	434.233	3.854	50	40	IHGB	
N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	409244762	IHXIBBVBRCDOAG-GDNBJRDFSA-N	446.385	3.996	50	40	IHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)c(OC)c1	8860758	PSQWJFTWKVSPNR-LCYFTJDESA-N	434.233	3.854	50	40	IHGB	
COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)ccc1O	15933682	XRRSDEZIDJRGQG-AFUMVMLFSA-N	434.448	3.701	50	40	IHGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	58882582	QXNUZQIFUSQYSW-YSMPRRRNSA-N	447.491	3.794	50	40	IHGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@@H]13	102643537	AVOGMGRQNJYIIC-BMMXIWBESA-N	438.627	3.868	50	40	IHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCC#N	408795304	LZEGRAJGRRLYCR-MDWZMJQESA-N	428.242	3.611	50	40	IHGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408915074	WXTLZNXSFQZLBL-AFUMVMLFSA-N	437.883	3.887	50	40	IHGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(SC#N)c1O	409041953	LLIGZNDBPFWBDR-ACAGNQJTSA-N	443.868	3.602	50	40	IHGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O	409222371	CPDOYXMGJHTKHI-ZLWWARENSA-N	431.404	3.683	50	40	IHGB	
CCOc1c(Br)cc(/C=N/NC(=O)CC2(C)SCCS2)cc1OC	409226972	WSNAWHYHQOPTFZ-VCHYOVAHSA-N	433.393	3.893	50	40	IHGB	
CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1cccc(Br)c1	691163	HAVILHLUXMFIDL-MRXNPFEDSA-N	439.317	3.508	50	40	IHGB	
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NNC(=N)COc1ccccc1	1387900	ZBUVODAEPLRFKG-UHFFFAOYSA-N	445.306	3.854	50	40	IHGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c2ccccc21	13567589	AAFNJTOWFLYFEY-HHHXNRCGSA-N	436.515	3.987	50	40	IHGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1Cl	19950286	BHMWVIFROHFGCR-ZVHZXABRSA-N	445.903	3.825	50	40	IHGB	
Cc1ccc[n+]([C@H]2[C@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)c2ccccc2)c1	100685342	SEORTYATEUXONQ-HVCNVCAESA-N	437.528	3.517	50	40	IHGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	408790859	TZXZFPFYFPWSMX-XIEYBQDHSA-N	439.512	3.870	50	40	IHGB	
CCCc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2	706757	PTPVDTBPUUNSQQ-HXUWFJFHSA-N	430.464	3.808	50	40	IHGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2225092	YJWGDGLILBZLND-OAQYLSRUSA-N	428.448	3.526	50	40	IHGB	biogenic
CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N1	8623940	BHUXBHOEYPKWLF-IBGZPJMESA-N	442.928	3.795	50	40	IHGB	
CC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1)C(Cl)(Cl)Cl	19912287	IJYKHCBDHIYGJN-CBVHTYNASA-N	428.703	3.662	50	40	IHGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(F)cc1	408607477	DFAXXVXDMXUECA-VULFUBBASA-N	435.455	3.811	50	40	IHGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408608588	HTEKWLZVTHQTCN-NUGSKGIGSA-N	428.703	3.812	50	40	IHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408802940	JJIUOSUMZSFSBY-OPWUTIMJSA-N	449.086	3.581	50	40	IHGB	
O=C(N/N=C/c1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408964131	OWPDQFGDCNMAMA-PCLIKHOPSA-N	439.512	3.530	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	409223136	GPOLQORWFXNCOX-UFFVCSGVSA-N	428.332	3.675	50	40	IHGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1	409258446	UDCSWXWFCMAOON-ZVHZXABRSA-N	435.436	3.955	50	40	IHGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1	3201110	MTJBJYGLTJWFRN-UHFFFAOYSA-N	433.533	3.880	50	40	IHGB	
Cc1sc2ncnc(N3CCC(C(=O)NNC(=O)c4ccccc4Cl)CC3)c2c1C	12979034	AVZPRRNOFRHGLR-UHFFFAOYSA-N	443.960	3.639	50	40	IHGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	13388142	OXHMRTTUCXUMPX-MDWZMJQESA-N	430.214	3.690	50	40	IHGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	34782530	VBEACSDZPFCKSB-JJFYIABZSA-N	427.800	3.899	50	40	IHGB	
Cc1ccc(Nc2nc(Cl)c(/C=N/NC(=O)CN3CCCC3=O)s2)cc1Cl	40161952	KFPWMYLFMNHJMD-DNTJNYDQSA-N	426.329	3.574	50	40	IHGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1	108268685	HGTVDQASAYUJAP-FMCGGJTJSA-N	439.424	3.730	50	40	IHGB	
Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	1477787	JJDALNKDHVDMFL-MFKUBSTISA-N	428.517	3.937	50	40	IHGB	
Cc1cccc(C[C@H]2S/C(=C(/C#N)C(N)=O)N(c3ccc(Br)cc3)C2=O)c1	1790777	OMYFZHZRPNVCRQ-XUMLYMLNSA-N	442.338	3.669	50	40	IHGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	9659807	YFWNGLMLXQGVFH-OEAKJJBVSA-N	449.960	3.519	50	40	IHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1O	59484023	NUSXNFZIXKULLN-QPEQYQDCSA-N	434.233	3.860	50	40	IHGB	
Cc1ccc[n+]([C@H]2[C@@H](c3cccs3)C(C#N)=C([C-](C#N)C#N)N[C@]2(O)c2ccccc2)c1	100685347	SEORTYATEUXONQ-VJTSUQJLSA-N	437.528	3.517	50	40	IHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1C	408837740	MPCAFQDNTYBFKF-AQTBWJFISA-N	435.505	3.921	50	40	IHGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409217901	FQIPWSRCSKPOEL-LSHDLFTRSA-N	443.799	3.979	50	40	IHGB	
C[C@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	9062456	KJGVJOBGKWSBCE-JTQLQIEISA-N	431.861	3.931	50	40	IHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1	9311113	DYWQXTFCQSEHSL-WUXMJOGZSA-N	432.230	3.920	50	40	IHGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408883783	UWICCUPUDRBQJH-NBVRZTHBSA-N	448.456	3.698	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)o1	409389482	BHPPEHSMVDIDHZ-WYMPLXKRSA-N	446.419	3.741	50	40	IHGB	
O=C(NNC(=S)NC1CCCCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F	2791821	MFEYQZUVHSXKIY-SJORKVTESA-N	448.543	3.688	50	40	IHGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O)c(Br)c1	8812571	KXTQQFGRRZVJFB-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1	13922952	YFHKWTHFNDPXDA-WGOQTCKBSA-N	447.491	3.762	50	40	IHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1	20215009	PAQOULHYUKXOKJ-BUVRLJJBSA-N	439.537	3.543	50	40	IHGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccc(F)cc1	28215483	IIRPKFTWSBIVAR-ZMOGYAJESA-N	436.399	3.515	50	40	IHGB	
C[C@@H](Cl)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	39767458	JXTGSQCYSSFIMR-SNVBAGLBSA-N	431.861	3.931	50	40	IHGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408818408	OBNUXKZLLRJISU-FBHDLOMBSA-N	431.242	3.511	50	40	IHGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c(C)[nH]c2ccccc12	408970617	JHTOQYYZNCNSFZ-RVWJGDDESA-N	434.540	3.845	50	40	IHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)cc1	409130149	LWOUVNNULIJGFD-MJDKSPQASA-N	427.570	3.777	50	40	IHGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC	409323851	PRVLRGJZRMOGHO-OYKKKHCWSA-N	430.888	3.922	50	40	IHGB	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(O)c2)nc2ccccc2c1=O	1243465	QAFXRSPNOUFQRM-AFUMVMLFSA-N	444.516	3.642	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(Br)c(Br)o2)c1C	9195982	LRMDDTSTDBDXAX-WSVATBPTSA-N	430.096	3.951	50	40	IHGB	
COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	9310842	UFLSPDDDOXFMPA-ZSOIEALJSA-N	445.269	3.555	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2F)cc1	16309517	XZEJZVLYKLAODR-LPYMAVHISA-N	431.514	3.541	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cc(C)cc(C)c2)cc1	408778678	WHRMZNMTBLQNMC-OEAKJJBVSA-N	425.510	3.550	50	40	IHGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2ccc(F)cc2)cc1	408825663	FIFMYMAMHXNFQN-YDZHTSKRSA-N	445.541	3.850	50	40	IHGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1nc(C)cc(COC)c1C#N	409008361	WMUYYNWZUPADDE-VYYCAZPPSA-N	446.507	3.879	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Br)c1OCC	409045616	GRQNFWOQVLQELE-SSDVNMTOSA-N	449.301	3.668	50	40	IHGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409220368	XYIRTQDKWLXPLE-QRVIBDJDSA-N	448.391	3.795	50	40	IHGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc(Br)c2)n1	409242852	WFJWEYIKXXJWSU-SRZZPIQSSA-N	444.358	3.889	50	40	IHGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccccc4Cl)c(=O)c23)C1	6166343	LEMYMIWZJSBEAX-MIHZTRLPSA-N	428.945	3.948	50	40	IHGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1	8934955	TUMRTXWOAJYIMK-LJQANCHMSA-N	448.479	3.719	50	40	IHGB	
CCOc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1O	12275212	PYOYPDBXGIUQPA-OPAMFIHVSA-N	426.469	3.573	50	40	IHGB	
O=C(NN[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(F)cc1Br	89825764	VALPXAJWKPBMDJ-GOSISDBHSA-N	434.309	3.576	50	40	IHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1	105420729	YAERSCVLMWWJML-VPWNMLMMSA-N	433.895	3.806	50	40	IHGB	
CCOc1cc(C(=O)NN)cc(I)c1OCc1ccccc1Cl	216837609	OXPDJEPCCVIIKE-UHFFFAOYSA-N	446.672	3.526	50	40	IHGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC)c1	408747831	UJZMLHWZASVSLI-DIBXZPPDSA-N	431.536	3.928	50	40	IHGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)CC2)cc1	3347421	DFOGRYYAJHIHPM-KOEQRZSOSA-N	441.597	3.844	50	40	IHGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1O[C@H](C)C(=O)N(C)C	6881502	SCJDGUOATUXSQP-GVOCEHQCSA-N	427.545	3.543	50	40	IHGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408968404	YLOCUQLVKIDKHF-CVKSISIWSA-N	446.532	3.659	50	40	IHGB	
CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(I)cc1	409019321	IQWGQENKZJGAFT-RGVLZGJSSA-N	438.265	3.739	50	40	IHGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(Br)c1	1433723	CRINFUVZRNWTTQ-DJKKODMXSA-N	442.107	3.749	50	40	IHGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CC(c1ccccc1)c1ccccc1	9337170	DPOGFQKHHJHWJO-UHFFFAOYSA-N	426.520	3.968	50	40	IHGB	
CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCC[C@@H]3CCSS3)cc2)C1=O	48290740	ZUMVPHQYWGGBJA-QGZVFWFLSA-N	435.615	3.847	50	40	IHGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cc2ccccc2cc1O	59401505	MNRWBEIANPWWTL-WGOQTCKBSA-N	431.492	3.701	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(I)c1O	83292456	USNJKZUOSZDDMN-DJKKODMXSA-N	444.656	3.813	50	40	IHGB	
COc1cccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2Nc2ccccc2C)c1	408706569	BORIOBHNBFYJJA-JVWAILMASA-N	446.507	3.522	50	40	IHGB	
N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)NC1CCCCC1	408803004	KHVJQNNEGMOOLG-OQKWZONESA-N	431.536	3.780	50	40	IHGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1	408837745	MSGOXCOBCJFOKR-PCLIKHOPSA-N	436.537	3.551	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC	408971393	NRBYIKDOIMOSLE-ZMOGYAJESA-N	440.452	3.546	50	40	IHGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NCCCc1ccccc1	409245309	QREVDJVDEIOVFL-DHDCSXOGSA-N	430.258	3.719	50	40	IHGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)o1	409393629	RMURXKFPJHBGOQ-WYMPLXKRSA-N	446.419	3.741	50	40	IHGB	
O=C(N/N=C/c1ccccc1F)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1092038	YMXVAWPNVVGXOM-ZVBGSRNCSA-N	446.236	3.505	50	40	IHGB	
Cc1ccccc1C(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	1957611	UACVMABRQRLWCN-UHFFFAOYSA-N	437.091	3.606	50	40	IHGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1	19952154	NXKPJFOBJXDISV-UHFFFAOYSA-N	449.960	3.980	50	40	IHGB	
C[C@@H]1CC(C)(C)O[Si-]23(Oc4ccccc4C=[N+]2NC(SCc2ccccc2)=[S+]3)O1	263607658	SEXXACLNLIKFJK-MRXNPFEDSA-N	445.662	3.622	50	40	IHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1	408742914	CQYVCHYDDKYZOU-DHDCSXOGSA-N	444.871	3.845	50	40	IHGB	
O=C(N/N=C/c1cccnc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408972937	HYTKTQWHBYDDMN-NHVVDLMHSA-N	430.533	3.662	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1cccnc1	1259051	XJLQDFZFUDPKGR-WPWMEQJKSA-N	443.532	3.722	50	40	IHGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	2256473	PDFQOGWREVYFQC-HXUWFJFHSA-N	426.948	3.760	50	40	IHGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1csc(-c2cccc(OC)c2OC)n1	29506042	PZXUWQJTBMJHCQ-UHFFFAOYSA-N	447.900	3.564	50	40	IHGB	
CCc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1	409025196	NMEKWYDSHUQOML-HKOYGPOVSA-N	429.586	3.875	50	40	IHGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1OC	9009240	AXOHUIWHFJHKKL-FQEVSTJZSA-N	448.479	3.719	50	40	IHGB	
Cc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1	12463034	HPYCFFJNQABBRT-UHFFFAOYSA-N	449.561	3.858	50	40	IHGB	
COc1ccc([C@@H]2C[C@@H](C(=O)NN(C)c3ncc(C(F)(F)F)cc3Cl)ON2C)cc1	12949885	QVAXYZOIXRDYQC-HOTGVXAUSA-N	444.841	3.607	50	40	IHGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(=O)(=O)c1ccccc1	19937031	VUIJHTDIBQXQLR-JJIBRWJFSA-N	435.505	3.537	50	40	IHGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1	20214849	JHHDRQCJJYSRLH-KHCKMINHSA-N	445.585	3.710	50	40	IHGB	
COc1ccc(/C(=N\NC(N)=O)[C@H](c2ccc(OC)cc2)[C@H]2C(=O)Oc3ccccc32)cc1	104291285	FCULCYWBAAIFKT-QNAGCXKLSA-N	445.475	3.563	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC)cc3OCC)[C@@H]2C1	1248452	GIBZLEFMKPPHRD-GGAORHGYSA-N	431.540	3.619	50	40	IHGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2228889	LDTOZQVRZGYTFX-YVEFUNNKSA-N	432.307	3.861	50	40	IHGB	
O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NNC(=O)c1ccccc1	2260317	SBYDHICZEWQSKU-UHFFFAOYSA-N	446.894	3.568	50	40	IHGB	
O=C(NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc2ccccc2n1	12794604	GPJPYSPCBKYYTE-UHFFFAOYSA-N	425.370	3.514	50	40	IHGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	16044578	RRNGPTRATXQWJP-GHRIWEEISA-N	434.521	3.888	50	40	IHGB	
O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cc2ccccc2cc1O	16545717	WVJBKHOJFOUEJO-UHFFFAOYSA-N	449.688	3.801	50	40	IHGB	
O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1F	33746341	PCWLSTZECLLGRA-CFRMEGHHSA-N	436.399	3.515	50	40	IHGB	
O=C(O[C@H](CCCl)C(=O)c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408638542	RQAUZZCDYCLAJV-KBXCAEBGSA-N	448.834	3.510	50	40	IHGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1	408794101	HSAOVFDMVABHNZ-ALDSOSFCSA-N	429.476	3.759	50	40	IHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408986763	DKVYGGLHLRVVIQ-QCQFVGOUSA-N	433.512	3.521	50	40	IHGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	2502640	PARWIKPWCCVERE-GOSISDBHSA-N	429.270	3.946	50	40	IHGB	
COc1ccc(C(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1	9190187	SQBRRGQRYNGZJH-QGMBQPNBSA-N	428.080	3.690	50	40	IHGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1	28213870	AIGQFRSJWZKDDD-MFKUBSTISA-N	449.532	3.955	50	40	IHGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408708851	UPZMKDMNQLKHHP-FSJBWODESA-N	435.297	3.698	50	40	IHGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1	1326117	RKVYBYFIPSTESD-CYBMUJFWSA-N	440.594	3.986	50	40	IHGB	
Cc1ccccc1N1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=C(\C#N)C(N)=O	2377457	VUFSXISOAVVUSS-AWZALFRUSA-N	442.338	3.669	50	40	IHGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(OC(C)C)c(OC)c2)cc1	2709828	BFOLHYXOCKWGDA-HXUWFJFHSA-N	425.510	3.791	50	40	IHGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)c1	12682178	GMXCHNRGFRTAIO-AFUMVMLFSA-N	444.495	3.660	50	40	IHGB	
CCOC(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1	21969196	KCWFSCORBVYNAJ-MRXNPFEDSA-N	435.590	3.529	50	40	IHGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)cc1	28617680	ITDSZXCCTSWDNJ-YSMPRRRNSA-N	432.480	3.570	50	40	IHGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	46084967	WICUQBXTDJYKNR-FVDSYPCUSA-N	441.487	3.698	50	40	IHGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	58911820	RUMQUJXPEPGSMB-VULFUBBASA-N	438.915	3.523	50	40	IHGB	
COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)ccc1OCc1ccccc1	408604901	JBPSTGSVCDNJOF-SFHVURJKSA-N	449.482	3.910	50	40	IHGB	
CN(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl	3170906	AMAHXVATQHLCAR-HZPDHXFCSA-N	447.771	3.752	50	40	IHGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1C	11510711	PSQYDZXKMFGNGZ-HNNXBMFYSA-N	443.450	3.784	50	40	IHGB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Cl)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC	17299255	UPDMGTICYKMZRT-AQWZQNETSA-N	432.856	3.656	50	40	IHGB	biogenic
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/CCc4ccccc43)c2)cc1	34897204	GTDLQRIFPSVMJG-GYHWCHFESA-N	435.505	3.576	50	40	IHGB	
CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)n1	253394153	AMHHASSMTOTIRK-JOCHJYFZSA-N	440.507	3.879	50	40	IHGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408607473	SJMRGMWIGYSREU-HXUWFJFHSA-N	430.537	3.776	50	40	IHGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(=O)O	409049182	VLPDTIJLKRGIBJ-AWNIVKPZSA-N	433.214	3.893	50	40	IHGB	
CSc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	409150501	CAGCWWNSFSKWOP-VPNURPJOSA-N	432.343	3.674	50	40	IHGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(F)cc1	409375636	NIPDHAKYVPWUJY-BOPFTXTBSA-N	445.288	3.890	50	40	IHGB	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	993576	GECKERNQSGSBQO-MFKUBSTISA-N	441.447	3.977	50	40	IHGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(I)c(C)c2)cc1	1081960	PTDONNMMTOQKOU-SRZZPIQSSA-N	437.281	3.561	50	40	IHGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	9311025	RRYDVYDEANIZMN-YVLHZVERSA-N	425.282	3.693	50	40	IHGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C	20208795	OAQSTACLVROAFC-UFFVCSGVSA-N	428.341	3.527	50	40	IHGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)CSc1nc(C)cc(C)n1	32115816	HAYGPYSDSNBSRN-JMIUGGIZSA-N	435.347	3.663	50	40	IHGB	
CCCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21	8756640	HYCQOBGJBRECDC-LTGZKZEYSA-N	436.693	3.699	50	40	IHGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(Br)cc1	13514264	WQPGUHAUWMVZKQ-UFFVCSGVSA-N	448.321	3.626	50	40	IHGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1OC	22443524	WJYQDKYZDOEDNU-FQEVSTJZSA-N	442.512	3.507	50	40	IHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1	109392254	PAMGGZSCSHSKNX-WSDLNYQXSA-N	433.497	3.665	50	40	IHGB	
COc1cccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1O[C@H](C)C(=O)O	409232883	CCWUEXJRQHXTIP-NFXIUMSZSA-N	435.480	3.719	50	40	IHGB	
O=C(CC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	711498	KSYOVBADRZZALS-WSDLNYQXSA-N	426.816	3.987	50	40	IHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c1C	904023	MXURUFPTTVEZJB-LGJNPRDNSA-N	446.459	3.780	50	40	IHGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	1306182	PHIPIZLFSWPZGD-OFNKIYASSA-N	431.540	3.618	50	40	IHGB	
O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F	2345346	UZDNBJOWYRTUAS-LUOAPIJWSA-N	427.373	3.823	50	40	IHGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1	408719097	DJFIOQCOGZDXDL-SITPEIFSSA-N	432.567	3.603	50	40	IHGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1ccccc1	408725869	LMTYVVOFKBJCBL-LGJNPRDNSA-N	433.464	3.565	50	40	IHGB	
COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)ccc1OCc1ccccc1	409326511	LIRPILLRZLCCAT-QFEZKATASA-N	434.448	3.502	50	40	IHGB	
CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)cc1	946507	JVFTZCCACNROFJ-UHFFFAOYSA-N	445.368	3.806	50	40	IHGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21	6077079	YYZUVZSBYQHDES-SANMLTNESA-N	442.494	3.897	50	40	IHGB	
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1cc(Cl)ccc1Cl	58912142	NHNOQLDCOICWPA-YSURURNPSA-N	433.295	3.760	50	40	IHGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cccc(NC(=O)c2ccccc2)c1	59503025	RGYZHGLUNXJLCI-WPWMEQJKSA-N	433.537	3.978	50	40	IHGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC	169880046	QGGYXEYWFKZKNF-RGVLZGJSSA-N	436.262	3.919	50	40	IHGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1	723706	CRFCKHRHRBTNQW-PSJWAGLYSA-N	434.448	3.826	50	40	IHGB	
O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	2663618	PWDWEZFOJZLXTH-UHFFFAOYSA-N	445.438	3.565	50	40	IHGB	
O=C(CC1CCCCC1)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3443567	WFBKXMWLDYUZKZ-UHFFFAOYSA-N	449.960	3.872	50	40	IHGB	
COc1nc(N=[N+]=[N-])nc(N[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1	101457978	ZFCCZJGSSCTUNR-UHFFFAOYSA-N	429.424	3.875	50	40	IHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I	408740627	CQAOQWCDEZAXLJ-PTNGSMBKSA-N	428.229	3.849	50	40	IHGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408963756	OZXIWIXYWWPIOB-BRJLIKDPSA-N	438.402	3.810	50	40	IHGB	
COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)c(C)c1	2671496	QCYDHLIEZOJKAD-HKWRFOASSA-N	430.508	3.916	50	40	IHGB	
COc1cccc(-c2nc(C(=O)NNC(=O)c3ccc(OC(C)C)cc3)cs2)c1OC	24835702	BLVGTBHDXPNAIS-UHFFFAOYSA-N	441.509	3.689	50	40	IHGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1	408592589	ZOBBMWQKYCBUEQ-MFKUBSTISA-N	448.479	3.872	50	40	IHGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC#N	408851623	DNYIWKSOBXIHGF-JJFYIABZSA-N	428.242	3.870	50	40	IHGB	
O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(Cl)cc1Cl	1502371	RMNIWYYWGNZCJC-UFFVCSGVSA-N	434.308	3.790	50	40	IHGB	
CCCc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2	2406098	XGMPVIGDGDJBGX-VWLOTQADSA-N	425.492	3.564	50	40	IHGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC	9425501	MZSIXMNHRHSPFO-KPKJPENVSA-N	431.242	3.710	50	40	IHGB	
O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1	33554601	ZSLFPOZSELPWGD-IWIPYMOSSA-N	441.940	3.681	50	40	IHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3sc4ncnc(N)c4c3C)o2)c([N+](=O)[O-])c1	408974018	UQLHZDYVLBTWLH-KTZMUZOWSA-N	436.453	3.822	50	40	IHGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccc(Br)c2)CC1	409006597	PUQKIZIKSVKFRA-OEAKJJBVSA-N	428.330	3.760	50	40	IHGB	
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NN=C(c1ccccc1)c1ccccc1	3321992	MDCMLGRSNJHKGG-UHFFFAOYSA-N	432.524	3.590	50	40	IHGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1	8385674	AOMZVEPMPSNAED-UHFFFAOYSA-N	432.101	3.904	50	40	IHGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1cc2cc(Br)ccc2o1	409145280	PYQZZQOCPQXOAU-FMCGGJTJSA-N	446.276	3.935	50	40	IHGB