smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1ccc2c(c1)oc(=O)c1ccccc12)C(Cl)Cl	1693101	RZYWKLGZNISKEM-UHFFFAOYSA-N	322.147	3.688	50	40	DHGB	
C[C@H]1C[C@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@H]1CC[C@@H]2C1	4837575	SVRPOTXJQJBPHV-OEELMKKCSA-N	312.413	3.570	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	5431673	VZNXSSZYPFIIRU-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
O=C(/C=C/c1ccccc1)NNc1ccccc1C(F)(F)F	12772530	XSPHCWAVWBQFPO-ZHACJKMWSA-N	306.287	3.862	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(CCC)o2)cc1	20198128	CEKURRWHUKOBNK-CPNJWEJPSA-N	314.385	3.785	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1c2ccccc2c(C)c2ccccc12	408998993	JSALUCXIMQNVQS-KAMYIIQDSA-N	300.361	3.954	50	40	DHGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N	503995527	IYGZSTAPMXRITM-MCFQYUQESA-N	317.473	3.645	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	42645486	XUNDSNQBFNQFGE-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)s1	516772	FKFGTHFVLCUGAT-VCHYOVAHSA-N	316.426	3.709	50	40	DHGB	
CC(=O)N(/C=C1\Sc2ccccc2C1=O)N(C)c1ccccc1	522942	AMJFZMQABYHUBD-ATVHPVEESA-N	324.405	3.716	50	40	DHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)NC2CCCCC2)cc1	3220393	FCXVRNIJLWDZHD-CPNJWEJPSA-N	301.434	3.950	50	40	DHGB	
CC1CCN(c2ccc(Cl)cc2NC(=O)CCl)CC1	8701850	ILEJXZBRJBRPLR-UHFFFAOYSA-N	301.217	3.754	50	40	DHGB	
CC1=C/C(=N\NC(=O)COc2ccc(C)cc2C(C)C)CC1	38203931	FUYSRZOIOTWXHK-CYVLTUHYSA-N	300.402	3.710	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)c(O)c(C)c1	20195484	HQIIAUJAFFGZEA-LTGZKZEYSA-N	324.424	3.709	50	40	DHGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)c1ccc(OC)cc1	408583164	RZGGLJJTXIVFON-LFIBNONCSA-N	323.348	3.856	50	40	DHGB	
CCCc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	5052076	OMLQYLRQFYICGR-MRXNPFEDSA-N	322.412	3.704	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1	5135237	FFDVTELXNOMXFI-QGOAFFKASA-N	316.426	3.620	50	40	DHGB	
N#C/C=C(/SC(=S)N1CCCC1)c1cccc([N+](=O)[O-])c1	7669328	XIHHEVUOVBOJKE-AWNIVKPZSA-N	319.411	3.573	50	40	DHGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCC1	13371765	VYPYYZYYEOAJBI-QINSGFPZSA-N	320.392	3.814	50	40	DHGB	
CC(C)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	409140503	FPWNJLXJCVAYFF-KGENOOAVSA-N	324.424	3.804	50	40	DHGB	
O=C(OCc1ccccc1)OOC(=O)OCc1ccccc1	1613242	IAWYWVVBKGWUEP-UHFFFAOYSA-N	302.282	3.608	50	40	DHGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccn2)cc1	6512448	OPNSRXHAMRLBJC-VBKFSLOCSA-N	319.408	3.602	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	7157354	OBUMGPJNERNXHB-FOWTUZBSSA-N	306.365	3.939	50	40	DHGB	
Cc1cccc(C(=O)N/N=C\c2ccc(Br)cc2)c1	33319304	FGOBCCKEPBYMBP-YVLHZVERSA-N	317.186	3.521	50	40	DHGB	
O=C(CCCl)N1N=C(c2ccco2)C[C@H]1c1ccccc1	89827839	BVTTYBXPSKJAJI-AWEZNQCLSA-N	302.761	3.586	50	40	DHGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(C=C(C#N)C#N)o1	409194547	MXEFCHZIOOVISC-UHFFFAOYSA-N	312.712	3.817	50	40	DHGB	
CCOC(=O)c1ccccc1C(=O)CCCCBr	575361690	GOOHOADLYNUSOG-UHFFFAOYSA-N	313.191	3.611	50	40	DHGB	
COc1ccc(C2=CC(=C(C#N)C#N)c3ccccc3O2)cc1	959680	IQGKNOPLMLYTCY-UHFFFAOYSA-N	300.317	3.929	50	40	DHGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)c2ccccc2)c(OC)c1	35079407	WPLWVOYHHZLZPK-ZROIWOOFSA-N	323.348	3.502	50	40	DHGB	
COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1	54883636	WDHBAMPVFKRIFB-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334450	NCKZRDQFFPCXRR-PDGQHHTCSA-N	321.424	3.652	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C	260612830	BFMJBHVDVLOPBV-ZBFHGGJFSA-N	317.477	3.636	50	40	DHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1sccc1C	408809648	IEIVXMRGDNWMLX-UKTHLTGXSA-N	312.394	3.919	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1O	408811252	ALYUVOYKCITIKC-PTNGSMBKSA-N	322.339	3.805	50	40	DHGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc2ccccc12	58671	MFBQDVIBFBSHLQ-IBGZPJMESA-N	314.344	3.764	50	40	DHGB	
Cc1ccc(C)c(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1	149265	WBTXAOIXXXNDHH-UHFFFAOYSA-N	302.333	3.572	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1	5667263	NKMMQQKVPCQRMW-ZIPUBWIGSA-N	306.409	3.893	50	40	DHGB	
[C-]#[N+][C@@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)cc1	59705741	SYHMCIYCFACHBI-OAHLLOKOSA-N	307.321	3.665	50	40	DHGB	
CC1(C)CC(O)=C/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)C1	100845995	GGEWIIIWWHMEPC-HKWRFOASSA-N	316.445	3.937	50	40	DHGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccccc2Cl)c1	409360698	FNVRWOILVSTWKO-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)c1	349100	MKPAPFHMURNAOT-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
CCOC(=O)c1cccc(-n2c(C)cc(C=C(C#N)C#N)c2C)c1	920250	RTSUALYBXBZRQH-UHFFFAOYSA-N	319.364	3.701	50	40	DHGB	
CCCCc1[nH]c(/C(SCC)=C(/C#N)C(N)=O)cc1CCC	5591156	ZVYBMOLPVPZMTN-DTQAZKPQSA-N	319.474	3.783	50	40	DHGB	
CCN(/C=C(\C#N)C(=O)Nc1ccccc1)c1cccc(C)c1	57414067	GABUJDPNMQRLMS-JQIJEIRASA-N	305.381	3.868	50	40	DHGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)cc1	408757472	XLKIALLPBWAWNH-WJDWOHSUSA-N	304.349	3.743	50	40	DHGB	
COc1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)cc1	409066214	HOWOSXDWXZOGNL-VIWQMLNCSA-N	314.772	3.512	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2sccc2C)cc1	409120732	SJQGXKUBKOVQFL-VGSSETLESA-N	318.467	3.996	50	40	DHGB	
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccsc1	495563	MXACPJKCPLBEQM-INIZCTEOSA-N	320.373	3.825	50	40	DHGB	
CCOC(=O)N(/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)C(=O)OCC	4293652	DZXVJZZRYADWSG-OBJZPPEVSA-N	310.394	3.804	50	40	DHGB	
C=CCOc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1	8043063	NBPCHXUBBCMZKJ-XDHOZWIPSA-N	314.772	3.669	50	40	DHGB	
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccncc1	16490820	CCEYAAAISXFPAP-KGENOOAVSA-N	317.348	3.638	50	40	DHGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccco1	135754701	OMWWBWNUYJGGDJ-MOSHPQCFSA-N	322.364	3.986	50	40	DHGB	
CCCCCCC[C@@H](C)C1C(C#N)=C(N)SC(N)=C1C#N	2700157	XYZJZUNTHMXQHZ-LLVKDONJSA-N	304.463	3.734	50	40	DHGB	
CSC(=NNC(=O)c1ccc(Cl)cc1Cl)SC	5362153	RSCNPIYQJLFORE-UHFFFAOYSA-N	309.243	3.720	50	40	DHGB	
CS[C@H](C(=O)N1CCCCC1)[C@H](Cl)c1ccc(F)cc1	5515290	KOVFDSWKLINJSP-KGLIPLIRSA-N	315.841	3.850	50	40	DHGB	
CCCCC(/C=N/NC(=O)c1ccc[n+](C)c1)=C\c1ccccc1	17044900	SXSNMMYXMMASRO-VUYRMCIOSA-O	322.432	3.501	50	40	DHGB	
CC(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	41078013	MUFATKMEAHGSMH-FYJGNVAPSA-N	318.376	3.889	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CSc2ccccc2)c(C)c1C	58927891	BGOJNCWCZJOBKM-YBFXNURJSA-N	312.438	3.854	50	40	DHGB	
O=C(CCl)Nc1c(C(=O)c2ccccc2)oc2ccccc12	85467	CRVSNFOZVXERGZ-UHFFFAOYSA-N	313.740	3.841	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)c1	566381	LTZSCDXWCMNYPT-UHXCZAMRSA-N	308.337	3.780	50	40	DHGB	
CN1/C(=C\C=N\NC(=O)c2ccccc2)C(C)(C)c2ccccc21	6368003	XCKZWFOEHRCHDR-ZRWDRPBKSA-N	319.408	3.714	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1Cl	17052216	YVGIIIAZUKNKCD-QZZQKYANSA-N	312.800	3.984	50	40	DHGB	
CCOC(=O)c1ccc(C(=O)CCCCBr)s1	575361833	NCUGWWMFYNIQCV-UHFFFAOYSA-N	319.220	3.673	50	40	DHGB	
O=C(N/N=C/c1ccc2ccccc2c1O)c1ccccc1Cl	369574	CTPATXUIFFZZEL-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	522451	HSXYYOQVYNEPCR-NTCAYCPXSA-N	322.364	3.640	50	40	DHGB	
Cc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)n1	40051304	IBRVPHKWRFAFTA-UHFFFAOYSA-N	303.365	3.873	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2C)cc1	59922421	RPIPUSLVEKHGAS-HMMYKYKNSA-N	310.397	3.856	50	40	DHGB	
Cc1cccc(C2=NN(C(=O)CCCl)[C@@H](c3ccco3)C2)c1	89669305	OHUQWZXHJYBIDZ-OAHLLOKOSA-N	316.788	3.895	50	40	DHGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccnc1	408999728	XMHKTFPZTJFFOI-XDHOZWIPSA-N	323.377	3.590	50	40	DHGB	
Cc1ccsc1/C=C/C(=O)NNC(Cl)=C(Cl)Cl	4284837	XPIHVPFCCRFTBI-NSCUHMNNSA-N	311.621	3.534	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	7156704	WCBWWKNHJZTWRP-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
CC[C@@H](Br)C(=O)Nc1nc2c(F)cccc2s1	20132502	FWAQQHYNMZPGGJ-ZCFIWIBFSA-N	317.183	3.547	50	40	DHGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1	408864553	XFJPAOOTTUUDQS-FYJGNVAPSA-N	300.361	3.702	50	40	DHGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1	31059	UPAYRJGXXKDNEC-HBBMIWKISA-N	317.392	3.791	50	40	DHGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	47843	OUDFAJRLRQFLRD-ZDUSSCGKSA-N	314.410	3.507	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(O)cc1)c1cccc2ccccc12	5369713	GNZJKQNLKUDXJK-MOSHPQCFSA-N	304.349	3.699	50	40	DHGB	
Cc1ccc(NC(=O)[C@H](Br)Cc2ccccc2)cc1	36635975	IGYWINRKKRZDQL-OAHLLOKOSA-N	318.214	3.940	50	40	DHGB	
Cc1ccc(SCC(=O)N/N=C/c2cccc(Cl)c2)cc1	40961752	GLZQAFPFOQYURZ-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	408936892	LGAVKAODYIPQHO-ATVHPVEESA-N	316.360	3.553	50	40	DHGB	
Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1Cl	150413	ZXGJJJDALGHADO-UHFFFAOYSA-N	322.751	3.917	50	40	DHGB	
O=C(Cc1cccs1)N/N=C/C=C/c1c[nH]c2ccccc12	1884217	IVAJRYWGJZYHTL-WSJMPXRGSA-N	309.394	3.587	50	40	DHGB	
CC(C)CC(CC(C)C)=NNC(=O)COc1ccc(C#N)cc1	5752887	BNRXXTNGYPUGKC-UHFFFAOYSA-N	315.417	3.501	50	40	DHGB	
N#C/C(=C/c1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1	34870764	MCLZGZWAKVSDTH-FLIBITNWSA-N	317.270	3.646	50	40	DHGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1	57398488	PTJADSTWYHFSBY-XFXZXTDPSA-N	312.756	3.786	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc2ccccc2c1O	4860393	SEIVMEBAHJWAOT-WOJGMQOQSA-N	300.358	3.794	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)cc(Cl)c1OC	6510289	YTYQEEDPAQOTAP-IZZDOVSWSA-N	307.777	3.879	50	40	DHGB	
CCOCc1ccc(/C=C(\C#N)P(=O)(OCC)OCC)o1	16958284	PHCYZJUJJWWEPO-NTEUORMPSA-N	313.290	3.947	50	40	DHGB	
COc1c(COC(=O)c2ccccc2C)cnc(CCl)c1C	44136114	WKDRUDHHHLEYHR-UHFFFAOYSA-N	319.788	3.803	50	40	DHGB	in-vitro
O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@@H]2C[C@@H]1C[C@@H]2C(F)(F)F	100335422	JBSGHVMHMIFLDF-ZNWDJIIASA-N	324.346	3.556	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)NN=C/C=C/c2ccccc2)c1	245241784	OODHICIXKCKGIQ-PLUBLWQUSA-N	308.381	3.578	50	40	DHGB	
O=C(NN=C1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	408865844	DXOFFVNDLANAQJ-UHFFFAOYSA-N	309.753	3.688	50	40	DHGB	
CCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	1702900	WIGCHLTYOKXEHA-XSFVSMFZSA-N	310.397	3.906	50	40	DHGB	
N#C/C(=C/c1cc(Cl)ccc1O)C1CCC([N+](=O)[O-])CC1	17023113	UUKHDEYVXVRSRT-GHXNOFRVSA-N	306.749	3.788	50	40	DHGB	
CCCCCCOc1cccc(NC(=O)CBr)c1	35605096	SPIVRXZBPTUTMD-UHFFFAOYSA-N	314.223	3.979	50	40	DHGB	
O=C(N/N=C/c1cccc(F)c1)c1cccc(C(F)(F)F)c1	408966329	ZXEQZCKYEMNXJM-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1ccccc1	63149	VLPISVVFIORQFA-GOSISDBHSA-N	314.344	3.764	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1	47843973	FQQWGHGXXLNTOG-SECBINFHSA-N	308.790	3.566	50	40	DHGB	in-vitro
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)cc1	216064491	KTVMZGGUHVKKHQ-HMMYKYKNSA-N	310.397	3.938	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc4c(cc3C)OCO4)nc2c1	107881077	REBABABLFDNARI-AUWJEWJLSA-N	317.348	3.973	50	40	DHGB	
O=C(CBr)c1ccc(OC(F)(F)F)cc1Cl	604221793	FQPIHAGCAAQVOC-UHFFFAOYSA-N	317.488	3.816	50	40	DHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(C(C)C)cc1	491581	PADSFMOBFCTZTO-CIAFOILYSA-N	324.424	3.956	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1	573772	GPFACOJOHFLOQS-SAPNQHFASA-N	317.392	3.832	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(C)cc3c2C)cc1	1510907	BYYCIBQGVGARAD-RGVLZGJSSA-N	321.380	3.557	50	40	DHGB	
CCOc1ccc(N[C@@H](C)C(=O)N/N=C2\CCCC[C@@H]2C)cc1	15930931	OTUJSBCXCMHNQY-FCBCFTQRSA-N	317.433	3.568	50	40	DHGB	
O=C(N/N=C1/CCCc2ccccc21)[C@@H]1C[C@H]1c1ccccc1	30734347	MOHCUJHUYZSWOS-QTGHDXTISA-N	304.393	3.647	50	40	DHGB	
O=C(N/N=C\c1ccccc1C(F)(F)F)c1ccc(F)cc1	33297243	ZTYVJNZBQYDHJO-UKWGHVSLSA-N	310.250	3.608	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)CCSc1ccccc1	58916043	WDWCNVNFNQYRDS-LFIBNONCSA-N	304.440	3.689	50	40	DHGB	
C/C(=N\NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc2ccccc2c1O	102061605	KTCMMLGFFMETED-XXXRSFMGSA-N	322.408	3.822	50	40	DHGB	
O=C(COc1ccc(Cl)cc1)NN=C1CCCCCCC1	484356	OYNAMVDBPFHRJM-UHFFFAOYSA-N	308.809	3.935	50	40	DHGB	
FC(F)(Br)C(Cl)(Cl)CCBr	64219868	SDFQJXMBBBQYFI-UHFFFAOYSA-N	320.786	3.933	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1	216069079	QPJCLBZNYARSJM-KGENOOAVSA-N	321.380	3.501	50	40	DHGB	
Cc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1[N+](=O)[O-]	408691760	PBVLRJQIFSAZJZ-NVNXTCNLSA-N	318.336	3.860	50	40	DHGB	
Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)CCCl	4847626	AOJJVWIRFFTTBI-UHFFFAOYSA-N	322.817	3.876	50	40	DHGB	
O=C(NN=C1CCCCCC1)c1ccc(Br)cc1	5714921	KAMHZRCGPPUHLT-UHFFFAOYSA-N	309.207	3.889	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)s1	6788891	HBKGZYVEPZEOQO-YRNVUSSQSA-N	313.338	3.510	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OC)c1C	33559937	ZNFTVNLSGBWRKT-DHDCSXOGSA-N	324.336	3.985	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc(Cl)c1	43981774	QZUFOZXFPHBTED-GRSHGNNSSA-N	311.772	3.894	50	40	DHGB	
CCCCCCCCOc1ccccc1/C=N\NC(=O)CC#N	100044475	LZELBDLITZNAJT-HKWRFOASSA-N	315.417	3.790	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C)c2)cc1	106371053	AJQPUXHUZDFPBI-PTNGSMBKSA-N	322.364	3.558	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(C)cc1	409094498	FIMUCONVUYQCHW-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
O=C/C(=C/Nc1ccc(O)cc1)c1nc2cc(Cl)ccc2o1	5740812	MNMYOZFBHHCUDL-NTMALXAHSA-N	314.728	3.839	50	40	DHGB	
C[P@](=S)(c1ccccc1)[P@](C)(=S)c1ccccc1	16998189	LHNGNWXNQAEZLR-IYBDPMFKSA-N	310.364	3.771	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(C)cc1C	33621793	GOYNKEYMIBYFCX-HQUKJPGRSA-N	322.408	3.888	50	40	DHGB	
Cc1cccc(-c2nc3cc(NC(=O)CCl)ccc3o2)c1	216854820	AQTAOVGZDPGYNQ-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
Clc1cccc(NC2=NC[C@@H](CBr)S2)c1	79901	LAMPEYMXXLMPGL-SECBINFHSA-N	305.628	3.618	50	40	DHGB	
CCO/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	11914350	NZBZVCDJVVFLAJ-FMIVXFBMSA-N	316.382	3.728	50	40	DHGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccccc1	20248633	BYWYIOVNSYWNPK-FHHIAAGZSA-N	312.438	3.849	50	40	DHGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(Cl)cc1	20248854	GXUONBOWDFTMRA-VCHYOVAHSA-N	318.829	3.724	50	40	DHGB	
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	70665035	ZSLQYHSFAKCANK-HLXURNFRSA-N	311.425	3.549	50	40	DHGB	biogenic
ClCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2	95849461	DUHJCIRKAQLXAE-UHFFFAOYSA-N	303.789	3.656	50	40	DHGB	
Cc1csc(/C(C#N)=C\c2ccc(O)c(Br)c2)n1	97996081	BCSKPPHTCPTBBG-WMZJFQQLSA-N	321.199	3.984	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1	198694739	IIDNAUJDNCNPFC-NTMALXAHSA-N	318.785	3.956	50	40	DHGB	
O=C(CCCCCl)c1ccc(I)cc1	43210705	LAHAZNILDJWEJK-UHFFFAOYSA-N	322.573	3.883	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(C)C)cc1	408600809	GHOOZRUWWZYTDR-UDWIEESQSA-N	310.397	3.794	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(Cl)s2)cc1	5475490	RPFWVIHUEZWDRR-CXUHLZMHSA-N	308.790	3.564	50	40	DHGB	
CC/C(=N\NC(=O)C1CCCC1)c1ccc(Br)cc1	15933762	YRUKTDUXCIMMIU-SAPNQHFASA-N	323.234	3.870	50	40	DHGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1	28495833	PFQQWYZQEJOBGU-FOWTUZBSSA-N	312.413	3.830	50	40	DHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1	39127479	ZOXFHIGCKLPLFX-OWBHPGMISA-N	309.369	3.671	50	40	DHGB	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1	54841859	ZMXPHZMEZOGLKP-XFXZXTDPSA-N	308.303	3.671	50	40	DHGB	
FC(F)(F)C[C@H](Br)C(F)(F)Br	71790230	MQOPSKICBXWWDP-REOHCLBHSA-N	305.866	3.690	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	4066930	SAMVIELHZYEKNL-UVTDQMKNSA-N	302.337	3.585	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1ccc(F)cc1	17185934	BHCJDTXVFHJAJD-GOSISDBHSA-N	318.351	3.991	50	40	DHGB	
CN1/C(=C(\C#N)Sc2ccccc2[N+](=O)[O-])Nc2ccccc21	100931569	FHXKFIFHWFDSKU-FOCLMDBBSA-N	324.365	3.941	50	40	DHGB	
COc1ccc(NC(=O)c2ccc(CCl)cc2)c(OC)c1	37342947	MDDFSSREHIKGOT-UHFFFAOYSA-N	305.761	3.695	50	40	DHGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1	45957728	KIHHJOLNBAQCNQ-JTQLQIEISA-N	313.740	3.704	50	40	DHGB	
CCOC(=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12	3334050	NXPLNRBMRWIBKZ-XDHOZWIPSA-N	307.353	3.915	50	40	DHGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1sccc1C	5175691	WYDNGTXUNQOIMV-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)cc1	6502075	LVHGMJOKGYCXOP-GZTJUZNOSA-N	316.360	3.860	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1	6788889	VTIMOYYJOBPSDO-DHZHZOJOSA-N	313.338	3.510	50	40	DHGB	
Br[C@@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Br	100350255	IOYZZQUDGDVQMG-LNFKQOIKSA-N	302.009	3.798	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc(F)c1	100989042	JJDLOQIHVUFKKT-AUWJEWJLSA-N	316.339	3.834	50	40	DHGB	
COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C	4947173	YDEQGKJVKNRYCZ-HIFBLQDRSA-N	324.424	3.853	50	40	DHGB	
O=C(N/N=C(\c1ccccc1)c1cccnc1)C1CCCCC1	5680263	UKTCOQGVNKMFJM-DYTRJAOYSA-N	307.397	3.531	50	40	DHGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(OC)c(Cl)c2)o1	210114995	HZFWDAAAHBRZMH-XFFZJAGNSA-N	317.728	3.689	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)cc1Cl	409053032	WGWNDQVLZVZBRL-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
COc1cc(C(=O)NN=C2CCCCC2)ccc1OC(C)C	8520446	VRCPTQZSSWMABU-UHFFFAOYSA-N	304.390	3.532	50	40	DHGB	
CC(C)c1cccc(NC(=O)[C@H](Br)C(C)C)c1O	161302	NSFQPBFEANXFHY-GFCCVEGCSA-N	314.223	3.874	50	40	DHGB	
CC/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1	6528936	ASTDEMMOMRJDFB-XMHGGMMESA-N	322.195	3.933	50	40	DHGB	
O=C(N/N=C1/CCCc2ccccc21)c1c[nH]c2ccccc12	96593658	LQDPLSSLDPCZAU-UZYVYHOESA-N	303.365	3.638	50	40	DHGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2)cc1	1319242	LNIKXMLEJDPKHS-OOWUWCJESA-N	310.397	3.729	50	40	DHGB	
CCN(CC)C(=O)ON=C1C=CC(=C(C#N)c2ccccc2)C=C1	5452827	ZTCYAFZHDPLYCO-UHFFFAOYSA-N	321.380	3.924	50	40	DHGB	
CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812175	BUOMZKJSEYYWFL-RGVLZGJSSA-N	309.344	3.564	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1	79006489	VOQCHCCJXJMDPZ-AWEZNQCLSA-N	313.788	3.971	50	40	DHGB	
Cc1ccccc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409241733	UIFGDXALTXBIRX-RGEXLXHISA-N	304.393	3.651	50	40	DHGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12	4808342	RNFADDPTCDQVMU-UHFFFAOYSA-N	322.324	3.897	50	40	DHGB	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1	6145844	KILOGCJDVGHXJX-LCYFTJDESA-N	312.756	3.894	50	40	DHGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccc(Cl)cc1	13957039	MEMGSXUBKYDSEI-CPNJWEJPSA-N	300.789	3.813	50	40	DHGB	
CC(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223542094	AUDMLGHHGRCMBI-MDBUFAAASA-N	301.434	3.657	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	255368242	JVIPNJHCBOEYJO-VUFYJBQKSA-N	321.424	3.909	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)c1ccccc1-n1cccc1	1398790	ZQFQZDMKMLSMPC-XSFVSMFZSA-N	303.365	3.550	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccccc1Cl	20086175	FTSKZHVWDIWLQW-OAHLLOKOSA-N	321.771	3.507	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	59922289	WZVGUZMQVRUASW-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
N#C/C(=C/c1ccccc1Cl)C(=O)NCCCc1ccccc1	409233721	HMLVZVUMNQETCG-LGMDPLHJSA-N	324.811	3.996	50	40	DHGB	
CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	184435	GVKMEWYDSODFQM-VCHYOVAHSA-N	304.321	3.944	50	40	DHGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC	3616289	ZHCLNHNTMQAZOV-NTCAYCPXSA-N	322.364	3.640	50	40	DHGB	
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	4102993	NQLGNUDZYAUBPL-NORZTCDRSA-N	320.421	3.588	50	40	DHGB	
O=C(CCCCCBr)c1ccc2c(c1)OCCO2	575356912	MCNUTHXJXPISIK-UHFFFAOYSA-N	313.191	3.596	50	40	DHGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1cccs1	59160816	DLVQAJKVOMQTJK-LZYBPNLTSA-N	324.858	3.785	50	40	DHGB	
CC(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1	5081692	UVXLZFKWFUQQNB-UHFFFAOYSA-N	316.404	3.619	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)cc1	5673360	JCMXXBSNOYCBOU-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccccc1	8969705	KNKSAQZCBJITEX-INIZCTEOSA-N	320.417	3.959	50	40	DHGB	
N#C/C(=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)O	60452691	DIVJTVJPMADLJT-WEVVVXLNSA-N	324.283	3.820	50	40	DHGB	
C[C@@H](OO)[C@@H]1CCCCN1c1cccc(Br)c1	675082277	QIPZCEDQPXMBHL-MFKMUULPSA-N	300.196	3.686	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1	59716	QPRGYBPWAPLURM-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
COc1cccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1	4781615	JPUJHBGRBNRASN-DEDYPNTBSA-N	310.397	3.757	50	40	DHGB	
O=C(Cl)c1cc(Br)cc(OC(F)(F)F)c1	71867327	PRRWHYQCMQADHB-UHFFFAOYSA-N	303.461	3.727	50	40	DHGB	
Br[C@H]1C[C@H]2c3ccccc3[C@H]1[C@H]2Br	103219032	IOYZZQUDGDVQMG-MMWGEVLESA-N	302.009	3.798	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1Cl	188036012	NDNGROIUTRLORC-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1	512472	BMDAXVMEMLHWQF-KGENOOAVSA-N	323.440	3.814	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	2102247	XRWSSMRABPVREZ-DEDYPNTBSA-N	314.360	3.769	50	40	DHGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)NCc1ccco1	6209496	FOBSJGIEMMZFLS-YRNVUSSQSA-N	321.163	3.810	50	40	DHGB	
Cn1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cn1	13003682	PXHRIUBUAZGCOF-ONNFQVAWSA-N	300.774	3.747	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1	13953597	ITPHGCZJGTWSFV-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
FC(F)(F)[C@@H](Br)c1cc(Br)ccn1	91366001	LXNYFFIEILOKAF-LURJTMIESA-N	318.918	3.842	50	40	DHGB	in-vitro
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc2O1	408710833	NXOJMQKPMSAVAN-KWWJGWKXSA-N	304.349	3.556	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Br)s1	4863119	AJYAHNVGYXIERQ-NTUHNPAUSA-N	319.224	3.759	50	40	DHGB	
Cc1cc(C)c(/C=C(\C=N\NC(N)=O)c2ccccc2)c(C)c1	16121533	BGTXGPLTLSRDLP-VGPIXTITSA-N	307.397	3.807	50	40	DHGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1	31061	UPAYRJGXXKDNEC-HFITWMCCSA-N	317.392	3.791	50	40	DHGB	
CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	485127	KCXHNLYKAASGFD-LICLKQGHSA-N	304.802	3.826	50	40	DHGB	
CCc1ccccc1OCC(=O)N/N=C/c1ccc(C(C)C)cc1	3147180	XJPSQDGPCGXXQP-FYJGNVAPSA-N	324.424	3.902	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2	102380882	KJMOKWHQHZDVGZ-KPHHZSPTSA-N	306.793	3.588	50	40	DHGB	
Cc1cc(N2CCOCC2)ccc1/C=C(\C#N)c1ccccc1	409070206	DWLXBLRKCGVKKV-XMHGGMMESA-N	304.393	3.896	50	40	DHGB	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1[C@H]1C=CCCC1	8580645	CSUSGCVWHUAESF-GWCFXTLKSA-N	324.409	3.664	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)[C@H](C)Sc1ccccc1	58915784	NUXAQUMKYIRKDL-SEJMYLSOSA-N	304.440	3.687	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@@H]2CC[C@@H]1C2	102334506	JTXMUFJZYYCMDM-MTSOHWBYSA-N	306.793	3.588	50	40	DHGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OC	107611082	XQHDFSRNXUUASE-JYRVWZFOSA-N	313.328	3.916	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1	207855005	PAHXTYQAZAAMOW-WJDWOHSUSA-N	317.348	3.503	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1cc(Cl)ccc1Cl	5163674	SEUMPWORPVBKNB-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
ClCCOc1ccc(Br)cc1OCCCl	2689959	HSDUKGSHZJVFMM-UHFFFAOYSA-N	314.006	3.684	50	40	DHGB	
O=C(N/N=C/C=C/c1ccco1)c1csc2c1CCCC2	2768035	PEQSNIWQYGRBFN-AHEHSYJASA-N	300.383	3.649	50	40	DHGB	
COc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl	3094635	VOQABBMAQZSQDD-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
C=CCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1C	20194918	VBZNXOPTCOBFBQ-KGENOOAVSA-N	322.408	3.561	50	40	DHGB	
Cc1c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc2n1C	408807709	DWYOCAQULZOWBQ-NTCAYCPXSA-N	321.424	3.843	50	40	DHGB	
Cc1nc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)co1	585125072	FTYBYHCIBKUJME-ZDUSSCGKSA-N	324.497	3.609	50	40	DHGB	
CC(=O)Nc1ccc(C(C)(C)C)cc1NC(=O)C(Cl)Cl	163014	GCEXGPUYQLHHKU-UHFFFAOYSA-N	317.216	3.685	50	40	DHGB	
CCC/C(=N\NC(=O)Cn1ccc2ccccc21)c1ccccc1	14775745	QRQCQXSIAAOKJY-DYTRJAOYSA-N	319.408	3.962	50	40	DHGB	
CCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	260625038	YIQGDUQGVQJDRG-ABAIWWIYSA-N	323.868	3.591	50	40	DHGB	
Cc1cc(C)c2sc(NNC(=O)c3cccc(F)c3)nc2c1	4121458	PIGIJVYUDRMXGF-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccccc1Br	5514680	XTHHMZAQZMDSRN-HPUUJOOBSA-N	307.191	3.521	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1ccccc1Cl	228917582	XMFAUWOKZUNMBA-UHFFFAOYSA-N	302.230	3.857	50	40	DHGB	
CSc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	408849155	VHIOWKDFUPBSIY-WQRHYEAKSA-N	310.378	3.919	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccco3)C2)cc1	3887478	FEAFLXHCENKXOH-AWEZNQCLSA-N	302.761	3.505	50	40	DHGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc2n1C	408868357	MENAGLHKVJWMAX-RUCZPBRESA-N	323.440	3.763	50	40	DHGB	
Cn1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21	4811110	JCQDLVFHDSGBOY-GDNBJRDFSA-N	302.333	3.941	50	40	DHGB	
COc1cccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1	5527425	XQZZKUQXPLWUGQ-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	6812596	QLFUBCDAWGKMPW-YBEGLDIGSA-N	320.348	3.547	50	40	DHGB	
Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1	16737566	RVXKFOYRNJKTKO-UHFFFAOYSA-N	309.394	3.875	50	40	DHGB	aggregator
Cc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cn1	47624674	UMRIWBFSZNEZCD-UHFFFAOYSA-N	317.392	3.802	50	40	DHGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccccn1	408992376	ATPHZUZWBGXWSO-XDHOZWIPSA-N	323.377	3.590	50	40	DHGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1cccc(F)c1	409392867	OFABWXQTQOHPOY-AUWJEWJLSA-N	313.328	3.916	50	40	DHGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc(C#N)cc1	46199	AAZSRORSEMCOET-IBGZPJMESA-N	323.355	3.930	50	40	DHGB	
C[C@]12CC[C@@]3(O)[C@H](CC=C4CC(=O)CC[C@@]43C)[C@H]1CC=C2C#N	4029511	CWVUTLNSLUOPFE-LTFPLMDUSA-N	311.425	3.693	50	40	DHGB	biogenic
CC(C)(CNC(=O)CCl)SCc1ccc(Cl)cc1	4041016	RAPDKCHVBOKAHU-UHFFFAOYSA-N	306.258	3.707	50	40	DHGB	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1	4450386	VBWFHJWQMXTBJL-IBGZPJMESA-N	319.408	3.751	50	40	DHGB	
CC(C)/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccc1	5383970	PGLRRFPFVVXOTI-DYTRJAOYSA-N	305.381	3.958	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1	9910953	GOJYRGTXBLLQHS-CYBMUJFWSA-N	316.788	3.566	50	40	DHGB	
N#C/C(=C\c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552618	KIVPRLIDWAIFGB-KPKJPENVSA-N	323.377	3.637	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N2CCCc3ccccc32)cc1	140297	TZIXBKOVTVLDOZ-GHRIWEEISA-N	318.376	3.582	50	40	DHGB	
C[C@]12CC[C@@]3(O)[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@H]1CC=C2C#N	4029512	CWVUTLNSLUOPFE-UJMXGEILSA-N	311.425	3.693	50	40	DHGB	biogenic
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1ccccc1	6638923	YCISHRCFSOAERE-OQLLNIDSSA-N	323.348	3.502	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc2ccccc2c1O	12362527	OBTILXGLLUXOLJ-DEDYPNTBSA-N	304.349	3.699	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1	28356453	RGENQWDQDNVWHJ-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1c[nH]c2cc(F)ccc12	40549536	SRJWAEPLCZIMMB-AUWJEWJLSA-N	315.307	3.969	50	40	DHGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2)cc1	59333879	LXCLVRAGSDBHDI-PDGQHHTCSA-N	320.392	3.569	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C	223229175	BFMJBHVDVLOPBV-HOCLYGCPSA-N	317.477	3.636	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC)cc1Cl	408778965	NSPQBCNOXNZRHM-LCYFTJDESA-N	306.793	3.514	50	40	DHGB	
O=C(CSc1ccccc1)N/N=C/c1cccc(Cl)c1	50680	FUJIVNHHBHKXPW-LICLKQGHSA-N	304.802	3.582	50	40	DHGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccccc2Br)C1	5159674	PRULJXOCSUULRC-ILJRITOVSA-N	309.207	3.745	50	40	DHGB	
C[C@@]12CC3(CC(=O)O)CC([C@H](Cl)C(=O)O)(C1)C[C@@](C)(C3)C2	100811976	JKZPRSYNGKECDY-UEZOQXKXSA-N	314.809	3.520	50	40	DHGB	
CCn1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21	409189184	FADJQZPRUUXKKY-KAMYIIQDSA-N	307.397	3.627	50	40	DHGB	
CCCC1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1	370613	HCYNQHZXYACQEV-UHFFFAOYSA-N	301.434	3.829	50	40	DHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C)c2C)c1	4663111	BAFHADBLYMUHRR-WOJGMQOQSA-N	321.424	3.706	50	40	DHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C\C=C\c1ccco1	12360507	MGLLFHOUUSYMKC-IZPYVLPQSA-N	319.364	3.660	50	40	DHGB	
O=C(CCl)N1N=C(c2ccsc2)C[C@@H]1c1cccc(F)c1	97165851	ASDIWABPFNDXQX-CQSZACIVSA-N	322.792	3.804	50	40	DHGB	
[C-]#[N+][C@@H](Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	104899841	CXMCCYDSIRLPHS-MRXNPFEDSA-N	319.813	3.910	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1O	108036558	OLZICAIGPUOHKP-ZSOIEALJSA-N	310.309	3.763	50	40	DHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1O	223166346	CNCYNTHSHNLYFA-GDNBJRDFSA-N	322.364	3.563	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2C)C1	182580	RDOIQYFIBIMAPA-HNOLQLOCSA-N	312.413	3.778	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1	343108	LWLQTNAUJXUCLY-LICLKQGHSA-N	304.802	3.582	50	40	DHGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1ccc(Cl)cc1	563895	NNFWYTVWYYTOFF-NTEUORMPSA-N	313.740	3.868	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2OC)cc1	17026459	RIDWPZUXPFCMJT-PTNGSMBKSA-N	322.364	3.558	50	40	DHGB	
O=C(CCCCCCl)NCCc1c(F)cccc1Cl	2576627	GLOCGAHHQWNFMO-UHFFFAOYSA-N	306.208	3.937	50	40	DHGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1cccc(Cl)c1	4539099	RJSDJCKDCLYSEP-KAMYIIQDSA-N	314.772	3.834	50	40	DHGB	
CN(NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1	6638178	NRKUZFXJUKGJKX-UHFFFAOYSA-N	309.291	3.878	50	40	DHGB	
O=C(/C=C/N(CCCl)CCCl)c1ccc(Cl)cc1	2146466	XLDSRWXFVRHRQS-VMPITWQZSA-N	306.620	3.816	50	40	DHGB	
CCCCO[C@H]1NC(Cl)=C(C#N)C(C#N)(C#N)C1(CC)CC	22172476	GFCXCXIKOODCLI-CQSZACIVSA-N	320.824	3.546	50	40	DHGB	
Cc1ccsc1/C=N\NC(=O)COc1cccc2ccccc12	33321456	GCBYFSBSATUBAB-ODLFYWEKSA-N	324.405	3.739	50	40	DHGB	
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCl	216858809	AKFIWSLEZXSFDL-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc(F)cc1	5943616	CMJZAOWSCGISSE-KGENOOAVSA-N	321.355	3.770	50	40	DHGB	
O=C(Cl)[C@H]1CC=C2c3ccccc3CC[C@@H]2[C@H]1C(=O)Cl	104076342	WWHIZRHALFOKFV-MELADBBJSA-N	309.192	3.799	50	40	DHGB	
O=[N+]([O-])c1ccc(Cl)c(OCCCCBr)c1	1750752	RQGRGVSKRHJJON-UHFFFAOYSA-N	308.559	3.802	50	40	DHGB	
COc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cn1	27332074	HVYMKYDBDSFMBZ-GFCCVEGCSA-N	312.460	3.743	50	40	DHGB	biogenic
Cc1ccc(NC(=O)[C@@H](Br)Cc2ccccc2)cc1	36635976	IGYWINRKKRZDQL-HNNXBMFYSA-N	318.214	3.940	50	40	DHGB	
CCCn1cc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc21	409370924	DSSZZJQBLWBOQW-NTCAYCPXSA-N	307.397	3.581	50	40	DHGB	
O=C(CNc1ccccc1)N/N=C/c1c(Cl)cccc1Cl	43231	NZVMDDGPFKIYAN-DJKKODMXSA-N	322.195	3.556	50	40	DHGB	
CCCCOC(=O)c1ccc(NC(=O)CC[C@H](C)Cl)cc1	1672730	UJACCONNTPTRJS-LBPRGKRZSA-N	311.809	3.990	50	40	DHGB	
COc1ccc(NC(=O)c2ccc(CBr)cc2)cc1	4205190	JFAITGRHGWJZLX-UHFFFAOYSA-N	320.186	3.842	50	40	DHGB	
O=C(CCCCCl)c1cccc(I)c1	43210708	FPPGJELLTNUACE-UHFFFAOYSA-N	322.573	3.883	50	40	DHGB	
CN1C(=O)/C(=C(\C#N)c2nc3ccccc3s2)c2ccccc21	49947089	YZHKYBQCQNVUCR-FOWTUZBSSA-N	317.373	3.707	50	40	DHGB	
O=C(Cl)c1cc([N+](=O)[O-])ccc1N1CCc2ccccc21	252489216	JKZMAHAEBIIZFK-UHFFFAOYSA-N	302.717	3.668	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c1	15222573	ZGSDYMJPRRFMDK-GDNBJRDFSA-N	321.336	3.757	50	40	DHGB	
CN(C)c1ccc(N/C=C(\C#N)c2nc3ccccc3o2)cc1	6247483	VDXYXRWHNSRBEG-OUKQBFOZSA-N	304.353	3.870	50	40	DHGB	
CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21	9201167	UJQOCZZKDBXQPG-UDWIEESQSA-N	305.381	3.734	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	26965425	XLVXSDRVBXWIJK-FLIBITNWSA-N	320.270	3.618	50	40	DHGB	
CC1(C)C[C@@H](NC(=O)CCCC[C@H]2CCSS2)CCO1	79192180	VWBZWPFGWMHFHJ-STQMWFEESA-N	317.520	3.774	50	40	DHGB	biogenic
CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C2	104024176	FMNLLNYWLXWVQC-IWHQODAUSA-N	315.373	3.527	50	40	DHGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(N)=O)c1	408874231	AIBPEPOFCMAGRM-RQZCQDPDSA-N	324.811	3.940	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1ccc2ccccc2c1O	5682502	KFHGNIUWNCIWIF-KGENOOAVSA-N	318.376	3.628	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1	135760087	NIXLQZPGFBBDPN-NDENLUEZSA-N	321.380	3.759	50	40	DHGB	
Cc1ccc(S(=O)(=O)N[C@H](CCCl)c2ccccc2)cc1	334958	BFLCGGJYJGGLGQ-MRXNPFEDSA-N	323.845	3.644	50	40	DHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	585232	OWRBFEAAEYJPKO-GIJQJNRQSA-N	323.179	3.523	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(OC(C)=O)cc1	1628707	PGRREVHWRZTBPS-XNTDXEJSSA-N	323.285	3.742	50	40	DHGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cn[nH]c1	48960849	VTSIREINLJFZQX-UHFFFAOYSA-N	320.567	3.519	50	40	DHGB	
COC(=O)c1ccc(C(=O)CCCCBr)c(C)c1	575362288	DYXCKTFFJKGGNJ-UHFFFAOYSA-N	313.191	3.530	50	40	DHGB	
O=C(CCCl)Nc1ncc(Cc2ccccc2Cl)s1	2293608	YGOYYHRZOOZEQS-UHFFFAOYSA-N	315.225	3.955	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(C)c2C)c1C	4722745	SFNAFRVGADYOJN-LICLKQGHSA-N	307.397	3.804	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(F)cc1	13842620	COHQWRATAOXLGN-YBFXNURJSA-N	304.752	3.942	50	40	DHGB	
CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1cc(O)ccc1O	17031078	RTFVOBSGLZMHMZ-SGPNVBEDSA-N	304.390	3.586	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/C=C/c1ccco1	33775873	UYTUTCHKASOWKK-UFMWEGRASA-N	320.348	3.870	50	40	DHGB	
CC(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223542153	AUDMLGHHGRCMBI-OTGIAGGSSA-N	301.434	3.657	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(CC)s1	43798	YWKHNKKBQIQCRY-YVMONPNESA-N	314.204	3.543	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(Cl)c1O	7058688	NTJBJIDRLCVZCB-NTUHNPAUSA-N	313.740	3.844	50	40	DHGB	
CCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	35655277	SEXIYBWEUJRLEG-QGOAFFKASA-N	320.392	3.699	50	40	DHGB	
N#C/C(=C/c1ccco1)c1nc(-c2ccc(O)cc2O)cs1	96794861	ZCVNLJRRPRMGRN-POHAHGRESA-N	310.334	3.878	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)Cn2cnc3ccccc32)c1	408691628	JFALZIJANQUNTO-BOPFTXTBSA-N	313.360	3.655	50	40	DHGB	
FCCOc1ccc(CBr)c(Br)c1	1776010714	CDYKUDJDNWJAKX-UHFFFAOYSA-N	311.976	3.692	50	40	DHGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1	59820	ZDDIGUNHJJTTEZ-VCHYOVAHSA-N	318.829	3.724	50	40	DHGB	
O=C(N/N=C/c1ccco1)C(c1ccccc1)c1ccccc1	3031584	DXIWOMGLGALFCI-XSFVSMFZSA-N	304.349	3.562	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	72042012	AXDURNOZWFCBTJ-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
CCOC(=O)/C(C#N)=C\Nc1cccc(OCc2ccccc2)c1	100264423	JQGMXIITUYMRSW-SSZFMOIBSA-N	322.364	3.648	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccs1	195752253	NOUOPYBFRFLAFF-SXGWCWSVSA-N	308.790	3.564	50	40	DHGB	
Cc1cc(C)c(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C	28032	BZQVABXUJCWXSI-GOSISDBHSA-N	322.408	3.735	50	40	DHGB	
O[C@H](CBr)Cn1c2ccccc2c2ccccc21	158010	AOKYEDZKQRJLJI-LLVKDONJSA-N	304.187	3.550	50	40	DHGB	
O=C(N/N=C/c1ccccc1)c1cc(C2CC2)nc2ccccc12	174551	ZFJIJYDMVDBMMT-FYJGNVAPSA-N	315.376	3.876	50	40	DHGB	
CC(C)(C)CSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1	4730610	AEINWORVBLOTJV-UHFFFAOYSA-N	316.474	3.748	50	40	DHGB	
CCCCO[C@@H]1NC(Cl)=C(C#N)C(C#N)(C#N)C1(CC)CC	22172472	GFCXCXIKOODCLI-AWEZNQCLSA-N	320.824	3.546	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1cccc(CSc2ccccn2)c1	47843839	FFNUPVVYLPSZCS-NSHDSACASA-N	306.818	3.940	50	40	DHGB	in-vitro
Cc1cccc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)c1	216855413	PAMDJZLDTURJJT-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(Cl)s1	408967544	UAGACGHBHFGVBW-SXGWCWSVSA-N	323.805	3.956	50	40	DHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	524069	JJBWCIYJSVINGT-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
Cc1ncc(C(=O)NN(Cc2ccccc2)c2ccccc2)s1	63475674	ZSQFIQLCVHGBFG-UHFFFAOYSA-N	323.421	3.803	50	40	DHGB	
CC(C)(C)OC(=O)[C@@H](Br)c1cc(F)cc(F)c1	199831862	JJPTYJNVOXXHDM-JTQLQIEISA-N	307.134	3.743	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2F)o1	252497427	QHGBYHVVAJIHLP-YFHOEESVSA-N	303.264	3.695	50	40	DHGB	
Cc1cc(C(=O)N/N=C/C=C/c2ccccc2)c2ccccc2n1	2319507	DSUQRHXVZHLWQK-FPQBULDBSA-N	315.376	3.972	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	6043522	DKMSMFFSQPBMJR-HMMYKYKNSA-N	310.397	3.558	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1	13108212	HGTWOLHWCSCZAX-YBFXNURJSA-N	304.752	3.562	50	40	DHGB	
CCCCOc1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1	408603443	QVLKMGJJHOCPGH-ZHZULCJRSA-N	310.397	3.938	50	40	DHGB	
FC1(F)c2cccc(Br)c2C[C@@H]1Br	1857794332	HAEZOLIKPCUDGV-QMMMGPOBSA-N	311.951	3.861	50	40	DHGB	
CC(=O)N(C(C)=O)C1=C(C#N)C2(CCCCC2)Cc2ccccc21	343509	XHFXECUMBGQKMK-UHFFFAOYSA-N	322.408	3.823	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1C	5542232	UPULGZMUAHGMHN-AQOSXKMFSA-N	306.409	3.947	50	40	DHGB	
O=c1c2ccccc2nc(CCl)n1-c1cccc(Cl)c1	5776717	IJSRWGGDJUJTES-UHFFFAOYSA-N	305.164	3.778	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1	15219935	JJKISYNKAOKKIO-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
O=C(OCc1ccccc1)c1ccc(CBr)cc1	95932584	NNYOSNCCRWSYQF-UHFFFAOYSA-N	305.171	3.939	50	40	DHGB	
CCCCCCCCOc1ccc(/C(C)=N/NC(N)=O)cc1	100871650	GPJNIDJFLMXFHU-XMHGGMMESA-N	305.422	3.818	50	40	DHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(F)cc1	31085	GHNILBUVWTXKOS-WSDLNYQXSA-N	321.355	3.541	50	40	DHGB	
O=C(N/N=C/c1ccccc1)C(c1ccccc1)c1ccccc1	585602	UFEGKXKTQTZIMT-CJLVFECKSA-N	314.388	3.969	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1	1086662	DDMPPRFDVPFTJV-GHRIWEEISA-N	319.408	3.861	50	40	DHGB	
CC1(C)Oc2ccccc2C(=O)N1/C(=C/C#N)c1ccccc1	1506429	YGWNNNUWEROMPZ-FOWTUZBSSA-N	304.349	3.822	50	40	DHGB	
CCOC(=O)CC(C)(OOC(C)(C)CC)OOC(C)(C)CC	2387342	NICWAKGKDIAMOD-UHFFFAOYSA-N	320.426	3.929	50	40	DHGB	in-vitro
Cc1cccc(OCCOc2ccccc2C=C(C#N)C#N)c1	4599550	HLTQBLGTOSKQQZ-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	408740088	DEVIRBOSZFANCE-GXDHUFHOSA-N	310.328	3.770	50	40	DHGB	
CCOc1ccccc1N/C=C(\C#N)c1nc2ccccc2[nH]1	13004635	CSWLOEJGOLSACV-OUKQBFOZSA-N	304.353	3.938	50	40	DHGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC(C)C	40889279	LKEVWSUHGSFLPI-PTNGSMBKSA-N	308.381	3.670	50	40	DHGB	
COC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	2208717	NBTQHDYJQRXSFZ-OVCLIPMQSA-N	310.762	3.774	50	40	DHGB	
O=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1	3269684	HZYXVMMMXAIHQN-UHFFFAOYSA-N	308.746	3.840	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(OC)c1	107702518	SDQQWOPUJCSDEQ-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1	408569233	ZQSBJCUDBKEBQA-KGENOOAVSA-N	308.425	3.985	50	40	DHGB	
C[C@H](OO)[C@@H]1CCCCN1c1cccc(Br)c1	675082274	QIPZCEDQPXMBHL-GWCFXTLKSA-N	300.196	3.686	50	40	DHGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC1CCCC1	258453	VYPYYZYYEOAJBI-NTCAYCPXSA-N	320.392	3.814	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)c1cccc2ccccc12	349546	VIXXDANDVJOMHL-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
Cc1cc(Cl)ccc1OCC(=O)Oc1ccc([N+](=O)[O-])cc1	358118	LNZPMAXBJUZASG-UHFFFAOYSA-N	321.716	3.541	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	3491349	XXPGTQHXTLNMRV-MRVPVSSYSA-N	315.225	3.953	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1	408812276	MNSGWLPWBVDDGB-PSZAOFEKSA-N	312.413	3.606	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/C=C/c2ccccc2)cc1	2581818	RNAXYUYWYNEOJE-HYZSBJHASA-N	309.390	3.890	50	40	DHGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(C(=O)O)cc3)[nH]c2c1	33936096	ADLHYMHSYTUSQU-ZROIWOOFSA-N	303.321	3.634	50	40	DHGB	
CSc1cccc(N/C=C(\C#N)C(=O)Nc2ccccc2)c1	57413938	CJDJSHHFRQVRRK-OUKQBFOZSA-N	309.394	3.867	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O	76536805	BXOLTPCREHDCBO-RIYZIHGNSA-N	319.364	3.958	50	40	DHGB	
O=C(Cl)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	218725870	MCGQVOFZKFUXRK-RMKNXTFCSA-N	317.728	3.952	50	40	DHGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)c1ccccc1	409049168	VFWYREVNNZXQDX-RIYZIHGNSA-N	313.740	3.868	50	40	DHGB	
O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1cccs1	521017	OBXJAFXYJIYLRC-SNVBAGLBSA-N	310.831	3.726	50	40	DHGB	
O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1	1840959	JGFXVLJITZQQDW-XDJHFCHBSA-N	323.179	3.744	50	40	DHGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)[N+](=O)[O-]	3037790	OCAFGLRISFPHFZ-MHWRWJLKSA-N	303.321	3.831	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1O[C@H](C)C(=O)O	409019109	YCXLBNXNSDGYET-BVTUPMQUSA-N	323.348	3.611	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc(F)c1	7993707	KZNMDNSAXHDBKX-GIJQJNRQSA-N	322.792	3.722	50	40	DHGB	
CC(C)c1ccc(/C=N\NC(=O)[C@@H]2OCCc3ccccc32)cc1	32655539	IJZNNFZNJVESPB-UOIFGXKSSA-N	322.408	3.574	50	40	DHGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cccc(C)c2)cc1	39976776	OWGNBVMMUAMUQL-ZHZULCJRSA-N	309.413	3.605	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C	409090765	QBAJPZVNHVLIAG-BOPFTXTBSA-N	307.397	3.979	50	40	DHGB	
COc1ccccc1C(=O)N/N=C\c1cccc2ccccc12	5329123	PDEYSGRGORJWTH-MOSHPQCFSA-N	304.349	3.612	50	40	DHGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1ccc(C(F)(F)F)cn1	24362317	ITDWEHQYDULFIN-KPKJPENVSA-N	318.254	3.863	50	40	DHGB	
CC[C@H]1[C@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	35330270	PJOLEJUYCOOOJH-INWMFGNUSA-N	308.429	3.795	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c(C)c1	59333753	DJVUYQJJSSYVCL-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	583104	HKEJWSPALKVKJU-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
COc1ccc(/C(=C/C=C(C#N)C#N)N2CCCCCC2)cc1	6381745	BOZFTWLJJKVSKL-ODLFYWEKSA-N	307.397	3.886	50	40	DHGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	8846166	GKTUCVTYONXOFC-SFHVURJKSA-N	319.408	3.784	50	40	DHGB	
Cc1ccc(CSCC(=O)N/N=C/c2cccc(C)c2)cc1	408775869	VXIDJJOBMMZLDA-YBFXNURJSA-N	312.438	3.687	50	40	DHGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	408964605	CXGFWISFWMNHGC-SRZZPIQSSA-N	309.344	3.585	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(Cl)s2)cc1	2755372	YYBHPDYGUQZQOG-LICLKQGHSA-N	322.817	3.954	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1	5475345	ONMXFIJUMLPEHN-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
N#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1	5531232	WZVOLQHFEHBFJA-SDNWHVSQSA-N	300.321	3.529	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C\[C@H](C)c2ccccc2)c1C	13945600	ZGCNIKJQVLNNOB-DKNZLLBESA-N	310.397	3.588	50	40	DHGB	
CCCCCCCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1	100034213	GYCGTFBMHFYBRK-GHRIWEEISA-N	305.378	3.796	50	40	DHGB	
O=C(CCCCCCl)NC(=O)Nc1ccc(Cl)cc1	2557788	POAZSUUQBAZFSM-UHFFFAOYSA-N	303.189	3.787	50	40	DHGB	
Cc1cc(C)c(-c2nnc(NC(=O)CCCl)s2)c(C)c1	4079136	DOWJFOVMAJFSGT-UHFFFAOYSA-N	309.822	3.698	50	40	DHGB	
CCOP(=O)(OCC)C1=CSC(=C(C#N)C#N)S1	18193645	SOPCUIZOXRGLHG-UHFFFAOYSA-N	302.317	3.790	50	40	DHGB	
COc1cc(SSc2ccc(N)c(OC)c2)ccc1N	1722611	FZOHAJVWFPMQRW-UHFFFAOYSA-N	308.428	3.668	50	40	DHGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1O	209076651	KTPPSIJLONZQNR-JAIQZWGSSA-N	324.311	3.555	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)C2c3ccccc3-c3ccccc32)o1	1030241	BXKYGHHEPCAAGP-CIAFOILYSA-N	316.360	3.851	50	40	DHGB	
COc1ccc(Br)cc1/C=C(\C#N)c1ccccn1	5068206	XESMGAVIWGOCMK-XYOKQWHBSA-N	315.170	3.917	50	40	DHGB	
CCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C	223220637	MVMBQHPSCPHEKM-HNNXBMFYSA-N	321.852	3.501	50	40	DHGB	
C/C(=N\NC(=O)CCSc1ccccc1)c1cccs1	4502841	ATFLUHMYMYADQY-FOWTUZBSSA-N	304.440	3.771	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	6430923	LFSFFDAXZBFXOB-WOJGMQOQSA-N	311.406	3.950	50	40	DHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1	20248027	LIBIUQJYYXEFBJ-HWQJWEFDSA-N	318.829	3.971	50	40	DHGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccc(O)c1	408814707	WAYPUVRECQJYNB-MDWZMJQESA-N	312.756	3.900	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2cccc(Br)c2)c1	244869	QQJNUBVVQBLPOD-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
Cc1ccc(CSCC(=O)N/N=C/c2sccc2C)cc1	382273	HZEUBQRRTOFTQI-RQZCQDPDSA-N	318.467	3.748	50	40	DHGB	
CCOC(=O)c1ccccc1OP(=O)(CCl)CCl	2237818	GRKYGSRZGWKBHK-UHFFFAOYSA-N	311.101	3.913	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2)c(OC)c1	7210722	IGLPHKAHRMSWFB-MHWRWJLKSA-N	307.349	3.802	50	40	DHGB	
COc1ccccc1/C=N\NC(=O)c1cccc2ccccc12	13152231	VIXXDANDVJOMHL-MOSHPQCFSA-N	304.349	3.612	50	40	DHGB	
CCOc1ccc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc1	409052166	BZBMDJXLBJSZEC-IKVNRTJKSA-N	308.381	3.557	50	40	DHGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(N2CCCC2)cc1	34761911	QYGXDFXGPKKLQE-ZHZULCJRSA-N	322.412	3.751	50	40	DHGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1F	369534	SBLTZAHZDSJONZ-QGMBQPNBSA-N	311.143	3.896	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2c(F)cccc2Cl)CC(=O)N1	1392209	YLMKNKBLLIBTEB-VIFPVBQESA-N	306.768	3.906	50	40	DHGB	
CCC/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)s1	5792043	UYQSGONMSMYEIG-GZTJUZNOSA-N	307.806	3.731	50	40	DHGB	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCC#N	6170117	QBCJFZQSJBWNFA-GDNBJRDFSA-N	308.312	3.801	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1	108278073	FZNHBKKTJVRJLX-YBEGLDIGSA-N	306.365	3.863	50	40	DHGB	
Cc1cc(C)c(NC(C#N)=C2C(=O)c3ccccc3C2=O)c(C)c1	148231	IBWHSCMIZKSXFC-UHFFFAOYSA-N	316.360	3.881	50	40	DHGB	
O=C(NNc1nc(-c2ccccc2)cs1)Nc1ccccc1	1415020	GUZBMRIUKWZKTN-UHFFFAOYSA-N	310.382	3.959	50	40	DHGB	
O=C(NCCBr)Nc1ccc(Cl)cc1Cl	2568776	NFSBEQNZQDUGDW-UHFFFAOYSA-N	311.994	3.510	50	40	DHGB	
CC(/C=N\NC(=O)COc1ccc(C)cc1)=C\c1ccccc1	33930674	PZMYCQOXVDGTTF-UVBZOIGOSA-N	308.381	3.579	50	40	DHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccc(C(F)(F)F)c1	205598046	NLJBFJNFOOPFCP-FBHDLOMBSA-N	324.277	3.537	50	40	DHGB	
COC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1Cl	408997564	NELNNMFHNWRVJL-UHFFFAOYSA-N	312.712	3.817	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	6632483	OJCNDZQPPNZOOD-ATVHPVEESA-N	319.408	3.915	50	40	DHGB	
CCCCCC1=CCC/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1	96681330	BFEPCEAPJHXERR-VLGSPTGOSA-N	315.373	3.981	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1	59306	COENUGVTFNJFEH-YBFXNURJSA-N	312.438	3.687	50	40	DHGB	
Cc1cccc(N[C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1	370603	NWYNSTNLTSEZCL-MDBUFAAASA-N	315.804	3.599	50	40	DHGB	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1c[nH]c2cc(F)ccc12	40549529	XPTYFEXVAZVSKI-VGOFMYFVSA-N	315.307	3.969	50	40	DHGB	
O=C(CBr)c1c(F)cc(C(F)(F)F)cc1F	97439008	ZJAHIGOYUQVIFF-UHFFFAOYSA-N	303.024	3.561	50	40	DHGB	
Cc1ccc(O)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1	409255443	KMJJEEUWRDQYKS-FYJGNVAPSA-N	324.424	3.691	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	244858	INSPQPNEXCSEDU-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
Cc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1	13609049	FDQPABPEEYTRSE-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OC(C)C)c2)c(C)c1	20195063	GUNNQJLCESGMJV-FYJGNVAPSA-N	324.424	3.783	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CCl	79415053	YVONUKQVFGVOMZ-IRXDYDNUSA-N	322.880	3.563	50	40	DHGB	
N#C/C(=C/c1ccncc1)C(=O)Nc1cccc(C(F)(F)F)c1	223169668	MIQXWDAGKZQNQX-WQLSENKSSA-N	317.270	3.646	50	40	DHGB	
O=C(O)[C@@H](Br)Cc1ccc(Oc2ccccc2)cc1	225012629	LNUYFAMNHHNFOS-AWEZNQCLSA-N	321.170	3.870	50	40	DHGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	408776829	ZSPVCSNPIMVEMO-GDNBJRDFSA-N	322.364	3.725	50	40	DHGB	
O=S(=O)(C[C@@H](Cl)c1ccccc1)c1ccc(F)cc1F	153176	SEUDEEOHCCEZDT-GFCCVEGCSA-N	316.756	3.719	50	40	DHGB	
O=C(N/N=C/c1cccnc1)c1ccc(-c2ccccc2)cc1	502774	UBFRIQHMFXVEFC-KGENOOAVSA-N	301.349	3.513	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C/c1c(F)cccc1F)c1ccccc1	7157176	HQQVMNUGVJMHEC-LQELWAHVSA-N	312.319	3.749	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)CSCc2ccccc2C)c1	408770947	CPRCZOHTWYXEGV-YBFXNURJSA-N	312.438	3.687	50	40	DHGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C(C#N)C#N)c1C	408915517	WVBMJWCHCGFLRO-UHFFFAOYSA-N	305.337	3.531	50	40	DHGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(C)cc3)oc12	408970613	JHHNLYMYTNZJMA-YBFXNURJSA-N	308.337	3.514	50	40	DHGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(C#N)cc1	46200	AAZSRORSEMCOET-LJQANCHMSA-N	323.355	3.930	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1F	7993706	SQKUKVGZNYOEQK-GIJQJNRQSA-N	322.792	3.722	50	40	DHGB	
COc1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1[N+](=O)[O-]	16227717	OMCJICAWSOVPLU-QPJJXVBHSA-N	307.689	3.642	50	40	DHGB	
Cc1cc(NC(=O)NN(c2ccccc2)c2ccccc2)n(C)n1	43435765	CRISIBWIFYZONV-UHFFFAOYSA-N	321.384	3.603	50	40	DHGB	
CC(C)CO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1734248	ZLVMDWQCFMCCCO-IINYFYTJSA-N	315.207	3.912	50	40	DHGB	in-vitro
C/C(=N/NC(=O)c1cccs1)c1cccc(Br)c1	5033232	CMVTYTVKPQSBEH-DHDCSXOGSA-N	323.215	3.665	50	40	DHGB	
N#C/C(=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	33686799	ZCTACYQMXRBWKD-GDNBJRDFSA-N	303.770	3.678	50	40	DHGB	
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C#N)[C@@]3(C)CC[C@H]12	70665033	ZSLQYHSFAKCANK-MILMJNAHSA-N	311.425	3.549	50	40	DHGB	biogenic
N#CC(C#N)=C(N)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	101462754	VXAKKDNRAPADFA-DHDCSXOGSA-N	312.332	3.646	50	40	DHGB	
N#CC1=C(C#N)Sc2nc3cc(Cl)ccc3nc2S1	1560500	NVGPSMBEVLIVMI-UHFFFAOYSA-N	302.771	3.740	50	40	DHGB	
C=CCOc1ccc(C(=O)N/N=C/c2c(C)cc(C)cc2C)cc1	3664037	AAYQYGHNNMKKLR-FYJGNVAPSA-N	322.408	3.941	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	4834385	DSHHVCFUOICRBB-GDNBJRDFSA-N	312.344	3.703	50	40	DHGB	
N#Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	5630757	CUWIOMVIKVUISN-DJKKODMXSA-N	318.163	3.629	50	40	DHGB	
Cc1c(Cl)cc(C(=O)Cl)cc1I	26508438	FFFSMLBABFJYEJ-UHFFFAOYSA-N	314.937	3.632	50	40	DHGB	
Cn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21	40570804	RFGYTRRCILLSHM-VXLYETTFSA-N	311.772	3.596	50	40	DHGB	
CCOC(=O)c1cccc(C(=O)CCCCBr)c1	575362147	ICIOJBICIWDSDN-UHFFFAOYSA-N	313.191	3.611	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)s2)cc1C	531244	GRSZEHIEDJYNFN-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1ccccc1F	3264147	AVKPBWCRRAYQCG-CSKARUKUSA-N	302.255	3.650	50	40	DHGB	
NC(=O)N/N=C(/c1ccccc1)[C@H]1CCCCc2ccccc21	16932412	SBMOCHRKKYVNKP-FQMKLWGBSA-N	307.397	3.569	50	40	DHGB	
C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1	20195032	ZMKQUPRUEMYIRZ-KGENOOAVSA-N	322.408	3.561	50	40	DHGB	
O=C(Nc1ccc(F)cc1)[C@H](Br)c1ccccc1	162870	XIBJOWVETFFJRN-CYBMUJFWSA-N	308.150	3.900	50	40	DHGB	
Cn1c(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21	3899793	BKBGUZSHKAMZQV-JLHYYAGUSA-N	304.309	3.546	50	40	DHGB	
COc1ccc(C/C(C)=N/NC(=O)c2ccc(C)cc2C)cc1	4863709	YIRQBGZBBIZNEN-HMMYKYKNSA-N	310.397	3.660	50	40	DHGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccc(Br)cc1	5159105	UDRNKRJURYVQIM-CDSOTZFASA-N	309.207	3.745	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccccc1	66148616	RDTVIFVLMGZCHL-IBGZPJMESA-N	308.317	3.692	50	40	DHGB	
N#CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104094205	XKCPOSDKTUSVLG-UHFFFAOYSA-N	317.372	3.626	50	40	DHGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	59445271	MOHVQGBZXGKDLD-XDHOZWIPSA-N	314.772	3.669	50	40	DHGB	
Br[C@@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br	68571784	IOYZZQUDGDVQMG-GWOFURMSSA-N	302.009	3.798	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1cnc2ccccc2c1	199767007	DHDWILCHWJIUFO-UHFFFAOYSA-N	318.833	3.751	50	40	DHGB	
Cc1ccccc1/C=N\NC(=O)c1ccccc1C(F)(F)F	408784460	SUKFUTYJEURAKR-JMIUGGIZSA-N	306.287	3.778	50	40	DHGB	
O=C(COc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1	384151	QIMBXAJDGISEIJ-UHFFFAOYSA-N	323.304	3.732	50	40	DHGB	
CCCCCC(=O)NNC(=O)/C=C/c1ccc(C(C)C)cc1	2729490	BJQJAXFEMGMFKX-JLHYYAGUSA-N	302.418	3.551	50	40	DHGB	
N#CSc1c(Cl)cc(C(=O)N2CCCC2)cc1Cl	59842970	CAWFRTLNDHEPSF-UHFFFAOYSA-N	301.198	3.803	50	40	DHGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	100634275	VKVWBWFCTPBSQE-KPKJPENVSA-N	320.739	3.767	50	40	DHGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1	255712026	FPNSCDFFHIMSHJ-PTNGSMBKSA-N	322.339	3.936	50	40	DHGB	
O=C(CCl)NCCSCc1c(Cl)cccc1Cl	409024336	JVZXHTSXRQJHAP-UHFFFAOYSA-N	312.649	3.582	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)c1C	77358238	DRTAUJPWVKKEFU-YBEGLDIGSA-N	323.396	3.679	50	40	DHGB	
N#C[C@H](I)C12CC3CC(CC(C3)C1)C2	86079	NEIBESZGZBHCSZ-CRCJWISWSA-N	301.171	3.530	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(C)c2ccccc12	9201175	DPUXKMKSQADSQW-UDWIEESQSA-N	305.381	3.559	50	40	DHGB	
CSC(SC)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1	94760	FJYSUGVEOXARQE-UHFFFAOYSA-N	319.860	3.532	50	40	DHGB	
N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1ccc(Cl)cc1	1624667	XZNNURDJIPWSJG-UHFFFAOYSA-N	310.571	3.975	50	40	DHGB	
CN(C)/C=N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	3220779	INJRIBJCIVHYOK-YQJUVEHZSA-N	316.817	3.918	50	40	DHGB	
N#CC(C#N)=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1	5775324	SYWKAXBLPWVRCA-INIZCTEOSA-N	306.756	3.703	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1cccc(Cl)c1	20086157	UHAIKAMECOKRIS-HNNXBMFYSA-N	321.771	3.507	50	40	DHGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@]2(Br)CBr	100366297	WQNULSXJEQQGSF-GGVZMXCHSA-N	324.056	3.540	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2Cl)cc1C	408566471	GSAYZQKPCPXOEB-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
C[C@H]1C[C@H](c2cccnc2)N(C(=O)C2CCC(Cl)CC2)C1	1528101658	ZJNHHJIESZDZOT-ADNDVJRGSA-N	306.837	3.789	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC)cc1	3616073	FUAYYYGMYVQDRM-FOWTUZBSSA-N	306.365	3.803	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1	5131102	BLSCFHZITZCGCV-RVDMUPIBSA-N	321.336	3.703	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C	9200585	MLHVKVBNDBDIDT-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1	15219834	OFAJCVDCKCSJAP-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(C(C)C)cc1	408750034	WNGSOXCAQFYTJW-UDWIEESQSA-N	310.397	3.891	50	40	DHGB	
N#C/C(=C/Nc1cccc(C#N)c1)C(=O)Nc1cccc(Cl)c1	57414133	CDOHWRXHCWTWAQ-QBFSEMIESA-N	322.755	3.670	50	40	DHGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N	503995528	IYGZSTAPMXRITM-MNHVPCHLSA-N	317.473	3.645	50	40	DHGB	
O=C(c1ccc(N2CCOCC2)cc1)[C@@H](Cl)c1ccccc1	575358620	IYEOQPPORFGLQO-KRWDZBQOSA-N	315.800	3.686	50	40	DHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1F	60453	MKJHFFFYIYKEGR-WSDLNYQXSA-N	321.355	3.541	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	31051	LCTRMNPDPCWEQK-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
N#CCC(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	4502586	NCCXGRDHZULVPY-LSCVHKIXSA-N	322.151	3.617	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C(/S)Nc1ccccc1	12274250	DDUYGXJZMJYWRN-OUKQBFOZSA-N	312.331	3.987	50	40	DHGB	
C/C(=N/NC(=O)COc1ccc2ccccc2c1)c1ccccc1	27825436	XKUNBXOSVVRDKN-QNGOZBTKSA-N	318.376	3.759	50	40	DHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	20247936	CLZXGSAHUOMJGB-MBNTZHJCSA-N	318.829	3.971	50	40	DHGB	
COc1cc(F)ccc1C(=O)CCCCCBr	575357544	LGVAIKVZCGFLLE-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(F)cc1	6181344	LMRSEYWUNLKNIF-UHFFFAOYSA-N	308.312	3.844	50	40	DHGB	
N#CCOc1ccccc1/C=C(/C#N)Cn1cnc2ccccc21	408691513	BJBIHEZIQYOKER-PTNGSMBKSA-N	314.348	3.546	50	40	DHGB	
N#CC(C#N)=CNc1ccc(-n2cnc(Cl)c2Cl)cc1	2549978	AYMRHFLALLYUEW-UHFFFAOYSA-N	304.140	3.522	50	40	DHGB	
N#C/C(=C\Nc1cccc(C(=O)O)c1)c1nc2ccccc2o1	3021321	DOUMMZKOOWJAOU-ZRDIBKRKSA-N	305.293	3.503	50	40	DHGB	
Cc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c(C)c1	44842194	RAMZWJVQVZZLRL-FOWTUZBSSA-N	312.394	3.554	50	40	DHGB	
NNC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	226244449	WKIGGMXQJDXDFJ-UHFFFAOYSA-N	305.548	3.510	50	40	DHGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1	31816	AZVMULWBHIGBEF-LJQANCHMSA-N	318.376	3.590	50	40	DHGB	
N#CCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	567426	HMJCHWNEXPTTDQ-QGMBQPNBSA-N	322.151	3.617	50	40	DHGB	
COc1cc(NC(=O)c2ccc(CCl)cc2)cc(OC)c1	37343040	DEDIUWIFTPVXGC-UHFFFAOYSA-N	305.761	3.695	50	40	DHGB	
COc1ccc(C)cc1N/C=C(/C#N)c1nc2ccccc2n1C	100622424	DGGLCSCLFXJWOG-OWBHPGMISA-N	318.380	3.867	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1	102945950	JYRKPAXCMRWZRC-YBEGLDIGSA-N	317.797	3.987	50	40	DHGB	
Cc1ccc(C(=O)N/N=C2\Nc3cccc4cccc2c34)cc1	1296669	MDQJNEGESAJFAC-UHFFFAOYSA-N	301.349	3.665	50	40	DHGB	
O=c1sc(SCCCl)c(SCCCl)s1	3121483	ZRPZTICAFOPFAF-UHFFFAOYSA-N	307.314	3.832	50	40	DHGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12	5528615	WCISRAYKVLSOCG-HVHMTYQGSA-N	322.408	3.822	50	40	DHGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(C)cc2s1	20132225	UKZCKRVCXRUMEH-QMMMGPOBSA-N	313.220	3.717	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(C(C)C)cc2)c1C	30843266	SMMZGEUDBGDBHY-MTJSOVHGSA-N	324.424	3.956	50	40	DHGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	580158	HEMOBCANTOTPAZ-UDWIEESQSA-N	323.396	3.532	50	40	DHGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccs1	16789630	ZDLZNWJEDGDGSH-PDGQHHTCSA-N	324.409	3.601	50	40	DHGB	
N#CSc1c(-c2ccccc2)nn(Cc2ccccc2)c1N	27831594	UFYKGSXZCPBOSY-UHFFFAOYSA-N	306.394	3.754	50	40	DHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1	59333669	BGAGWWBXRPMOKU-XFXZXTDPSA-N	300.745	3.595	50	40	DHGB	
CSc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	3313825	QXXCSVVUGOVWQK-GHRIWEEISA-N	322.433	3.674	50	40	DHGB	
O=C(CCCCl)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	5258955	IGNGBXVACXRYAV-UHFFFAOYSA-N	310.659	3.571	50	40	DHGB	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccccc1	12797818	AONHTLFAVMYKBC-UHFFFAOYSA-N	311.263	3.734	50	40	DHGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc([N+](=O)[O-])c1O	107871242	VUPMMQQLSWHICF-WDZFZDKYSA-N	314.272	3.512	50	40	DHGB	
O=C(O)c1c[nH]c2ccc(S(F)(F)(F)(F)F)cc2c1=O	110749768	XARSROSBIOGWDN-UHFFFAOYSA-N	315.219	3.884	50	40	DHGB	
O=C(CCl)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1	216858148	FYBNKVVMSQBVMW-UHFFFAOYSA-N	322.151	3.721	50	40	DHGB	
C/C(=N/NC(=O)c1ccccc1N)C12CC3CC(CC(C3)C1)C2	4314253	JDJXJOSJTCVGQH-MTJSOVHGSA-N	311.429	3.591	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(Cl)c1Cl	524483	YVKHUQPKEPKMPC-VCHYOVAHSA-N	307.180	3.686	50	40	DHGB	
Cc1cc(NC(=O)N/N=C/c2ccco2)ccc1Br	4681007	ZBRQLSDDBZRCJC-OVCLIPMQSA-N	322.162	3.506	50	40	DHGB	
CC(C)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	13371747	LQBPKTPPFWJBCT-WJDWOHSUSA-N	312.413	3.687	50	40	DHGB	
CC(C)/C(=N/P(=O)(c1ccccc1)c1ccccc1)N(C)C	104065748	GTKLKZWJQKTVHL-HNENSFHCSA-N	314.369	3.532	50	40	DHGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1	408775663	JSUFXLNQHUXSGO-JMIUGGIZSA-N	306.287	3.778	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)CNc1ccccc1C	4180506	NTQXAFHZDAIPKI-JOOIDHKUSA-N	307.397	3.612	50	40	DHGB	
Cc1cc(OC(=O)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-]	7037603	UJOLQFVYNOOOOC-UHFFFAOYSA-N	323.251	3.724	50	40	DHGB	
Cc1cc(C)nc(NNC(=O)c2sccc2-c2ccccc2)n1	22233227	JQUSSEPXADTJRN-UHFFFAOYSA-N	324.409	3.579	50	40	DHGB	
CC(C)N(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CCl	79393742	YUIFXULHSNAQOO-QGZVFWFLSA-N	322.880	3.517	50	40	DHGB	
O=[P@@](Cl)(c1ccccc1)N(CCCl)CCCl	104384407	AWBLLTUSFJZPPX-MRXNPFEDSA-N	300.553	3.523	50	40	DHGB	
C/C(=N\NC(=O)COc1ccccc1C)c1ccc(Cl)cc1	135156	MTOOOMKANGVMDG-CPNJWEJPSA-N	316.788	3.568	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(C)=O)c2)o1	4815219	UQCIXOVIBPMSIL-XNTDXEJSSA-N	309.321	3.619	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccccc1Cl	20086177	FTSKZHVWDIWLQW-HNNXBMFYSA-N	321.771	3.507	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20132155	FFYDKSDXCXQFFU-SNVBAGLBSA-N	323.849	3.852	50	40	DHGB	
Cc1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)c(C)o1	72576	YNBUUAMUQIZARO-XYZJYNETSA-N	302.761	3.892	50	40	DHGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)O	265442	NHYUFYMBMLDYOH-YFHOEESVSA-N	307.227	3.957	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1ccccc1	422530	XJCLJTWZBOPFRO-GOSISDBHSA-N	300.361	3.852	50	40	DHGB	
Cc1cccc(C)c1NC(=O)[C@@H](Cl)C(=O)c1ccccc1	3267328	FPMBWSWPBUTVSU-AWEZNQCLSA-N	301.773	3.732	50	40	DHGB	
BrCc1cc(-c2ccccc2Br)no1	35323276	XVDUTFZBEOTWSR-UHFFFAOYSA-N	316.980	3.999	50	40	DHGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccccc1	59250381	ULJNJGPFOBZMQR-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
Cc1cc(Br)cc(C)c1OCCBr	72227035	VWOOQEVTHOLYDK-UHFFFAOYSA-N	308.013	3.840	50	40	DHGB	
CC(/C=C(/C#N)C(=O)NCc1ccccc1)=C\c1ccccc1	206060072	ZGDBXZSMDDKJEA-UBSBAQTRSA-N	302.377	3.856	50	40	DHGB	
C/C(CCc1ccccc1)=N\NC(=O)CSc1ccccc1	408778941	ZWQNOPBSDXOIKO-XDJHFCHBSA-N	312.438	3.904	50	40	DHGB	
Cc1sc(NC(=O)CCl)c(C(=O)c2cccs2)c1C	416182	VWYRXPVNDHUCAD-UHFFFAOYSA-N	313.831	3.835	50	40	DHGB	
CC(C)NC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21	20729369	KSXNUJPNUONMGS-UHFFFAOYSA-N	309.413	3.745	50	40	DHGB	
CC(C)COc1ccccc1/C=N/NC(=O)Nc1ccccc1	169885129	KALMQAQJJLRLJI-XDHOZWIPSA-N	311.385	3.877	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C	223229536	PRLWFVHHHDQMEW-GOEBONIOSA-N	317.477	3.636	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C	408768313	FDEQJRBRVYEDTM-QGMBQPNBSA-N	324.211	3.713	50	40	DHGB	
O=C(CCl)Nc1ccc(Br)cc1C(F)(F)F	152646	TUXNWIBGQYIZRA-UHFFFAOYSA-N	316.504	3.645	50	40	DHGB	
C/C(=N\NC(=O)CSCCc1ccccc1)c1ccccc1	408724733	AFRNIUVCGQSADJ-XDJHFCHBSA-N	312.438	3.503	50	40	DHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	409056823	OFOBAQODMJKCPJ-HNTIPGDBSA-N	322.408	3.982	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	6959700	ATMOGTQRMKVLHZ-XNTDXEJSSA-N	322.364	3.509	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\C=C\c2ccco2)cc1	48345207	FCYNLNFNESWYRX-BDTQIVJQSA-N	308.337	3.780	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C	260621921	PRLWFVHHHDQMEW-ZBFHGGJFSA-N	317.477	3.636	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC)c1	408741403	LQWNOFZIFDYCPN-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cc(Cl)cc(Cl)c2O)cc1	4705068	CBNWDUCRBXXSED-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
CCCc1ccc(OCC(=O)N/N=C(/C)c2ccccc2)cc1	5247064	MWMQRJXVUGGLQC-HKWRFOASSA-N	310.397	3.558	50	40	DHGB	
CC/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)cc1Cl	5385033	CGHDZGSYBRPEER-XMHGGMMESA-N	322.195	3.933	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccccc1OC(F)F	7947507	DNXORSNAQUQVCY-RQZCQDPDSA-N	300.305	3.537	50	40	DHGB	
CCCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC	97965654	MGVXIIGCYVWAFH-XMHGGMMESA-N	320.433	3.905	50	40	DHGB	
COc1ccc(C(=O)CCCCCBr)cc1F	144902402	SPUIDTOMXJVRNF-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)c(C)c2)cc1	408591849	VQGZVVAENXCPIS-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1O	408745250	QPMSVZDOKCZYBA-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1C	222343	UETOSDSBUOKXOA-SFQUDFHCSA-N	319.408	3.915	50	40	DHGB	
Cc1ccc2sc(NNC(=O)c3ccc(F)cc3)nc2c1C	429768	DPUPXZODLFEGQF-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
O=C(CCCCl)Nc1nc2ccc(N3CCCC3)cc2s1	20133647	ZZKIRZATVPAFEB-UHFFFAOYSA-N	323.849	3.854	50	40	DHGB	
CC(C)(C)c1ccc(O)c(CN(CCCl)CCCl)c1	1724252	DDYWNNKEXZISMU-UHFFFAOYSA-N	304.261	3.969	50	40	DHGB	
Cc1n[nH]c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=CO2	6694215	OJVUFHXXWYGQEP-ZDUSSCGKSA-N	305.259	3.669	50	40	DHGB	
CCCC(CCC)=NNC(=O)c1c(C)nc2ccc(Cl)cn12	409021144	YHKRQXSADMFPLJ-UHFFFAOYSA-N	320.824	3.982	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2cccc(F)c2)c(OC)c1OC	409391664	JHISVZOSEUNYAD-ZROIWOOFSA-N	313.328	3.916	50	40	DHGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc([N+](=O)[O-])c1O	409393108	OZMZJPSUJRGTPK-XGICHPGQSA-N	314.272	3.512	50	40	DHGB	
CCc1cccc2c(C3CCN(C(=O)CCl)CC3)c[nH]c12	95453851	JIYGADCEWVWSRG-UHFFFAOYSA-N	304.821	3.675	50	40	DHGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C2	103610552	PBZQZWBGJHLGKB-IPQLSUMPSA-N	315.373	3.527	50	40	DHGB	
O=C(COc1ccc2ccccc2c1)Oc1ccc([N+](=O)[O-])cc1	510932	AZBXPWVVFBRRBH-UHFFFAOYSA-N	323.304	3.732	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cccnc1	5033679	VLNOSONECVKPQP-FYJGNVAPSA-N	301.349	3.513	50	40	DHGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2ccccc2s1	19472576	NFILFJITBVFCGW-SNVBAGLBSA-N	313.220	3.654	50	40	DHGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc1	408711784	KGIZJHKTNMJBHP-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccs1	54594	YCXYPBBZJZMXDU-LZYBPNLTSA-N	324.858	3.785	50	40	DHGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1ccccc1Cl	3281913	LVQFLXDTNBWCLE-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
CCc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	3945069	SXFVLDFAIVIOKR-RVDMUPIBSA-N	301.349	3.962	50	40	DHGB	
O=C(Cl)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1	4277279	HJMWBRLVJZGMKS-HNNXBMFYSA-N	315.756	3.520	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1Br	4595227	FHVGJKHYXYNWHN-XTVDJYLGSA-N	321.218	3.601	50	40	DHGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1ccccn1	12542790	ORNCNAJLJBUEQB-YRNVUSSQSA-N	301.143	3.614	50	40	DHGB	
CCCCC(=O)N/N=C1/CCCc2[nH]c3ccc(F)cc3c21	89950111	OYDAUNMMWWQXTM-HKWRFOASSA-N	301.365	3.654	50	40	DHGB	
O=C(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1	95347886	JPCRYVUYKHLUBW-UHFFFAOYSA-N	313.784	3.701	50	40	DHGB	in-vitro
Cc1cc(C)cc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1	148181	XQERKQNNWZORMY-UHFFFAOYSA-N	302.333	3.572	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	559607	ZVWWMZOQVQLGJA-FYJGNVAPSA-N	322.339	3.779	50	40	DHGB	
O=[P@@](O)(c1ccccc1)c1ccccc1Oc1ccccc1	1870345	HMHWWRAVAYQKAP-UHFFFAOYSA-N	310.289	3.700	50	40	DHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2Cl)cc1	409057632	KJUISEVREKLVKL-GGNBMFIYSA-N	314.772	3.512	50	40	DHGB	
COC(=O)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	509222	DXOCXLQDKQTJNK-FRKPEAEDSA-N	313.140	3.943	50	40	DHGB	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	5379685	OISLJDCWHCPCPL-UHFFFAOYSA-N	320.176	3.555	50	40	DHGB	
O=C(N/N=C/C1=C(Cl)CCCCC1)c1ccc([N+](=O)[O-])cc1	5569424	BQOKQFZEVLZYPU-LICLKQGHSA-N	321.764	3.767	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OC(C)C)c(OC)c1	7144143	GJLWMLYRYYVURG-WUXMJOGZSA-N	323.776	3.606	50	40	DHGB	
CCCSC1=C(C#N)[C@@H](c2ccccc2OCC)CC(=O)N1	9374249	DZVYFVJKXSVWNH-CYBMUJFWSA-N	316.426	3.567	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1cc2c(ccc3ccccc32)o1	43971474	JKJJCXMTRHUMBR-RONKMWSCSA-N	322.364	3.605	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1cccc(CSc2ccccn2)c1	47843841	FFNUPVVYLPSZCS-LLVKDONJSA-N	306.818	3.940	50	40	DHGB	in-vitro
CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(C)cc1	408600521	CJTFDKYRDLGOBA-OOWUWCJESA-N	310.397	3.936	50	40	DHGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3ccc(Cl)cc3)ccc21	620596	ZSLLGQIIRYZCIT-NTEUORMPSA-N	323.783	3.595	50	40	DHGB	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1	3372117	YHYGTBHHAXBMIM-UHFFFAOYSA-N	315.735	3.784	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N(C)C)c2C)cc1C	5897082	JNDDTGLXWLVGOT-WOJGMQOQSA-N	321.424	3.706	50	40	DHGB	
COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)s1	15934537	DVAYLAWVDUQNDZ-ODLFYWEKSA-N	324.405	3.982	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	59133202	SYVYNCZNSBJASC-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
Cn1c(/C(C#N)=C/c2ccccc2F)nnc1-c1ccccc1	63412728	RMCJNAUYXDATOJ-RVDMUPIBSA-N	304.328	3.685	50	40	DHGB	
CCN/C(SC)=C(\C#N)c1nc(-c2ccc(Cl)cc2)no1	101953968	MNKPTKCEQCRQRO-KAMYIIQDSA-N	320.805	3.555	50	40	DHGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cccs1	408864156	SQLJPVXDBRCIKD-VLURKWGBSA-N	318.467	3.910	50	40	DHGB	
COc1ccc(/C(C#N)=C2\C=C/C(=N\O)C(C)=C2Cl)cc1	4945965	XABHEHXHSDMSFU-MNOJGGAQSA-N	300.745	3.885	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1	5288774	LENQNKOOBSBIHK-QWSZEGLUSA-N	312.800	3.984	50	40	DHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)c1ccccn1	43078815	UNLSBEIJUOOJRK-VBKFSLOCSA-N	300.365	3.948	50	40	DHGB	
FC(F)(F)Oc1ccc(CI)cc1	84844814	IABFFRYJXRCAGW-UHFFFAOYSA-N	302.033	3.520	50	40	DHGB	in-vitro
CCO[Si](CCCC#C[Si](C)(C)C)(OCC)OCC	575182268	QRHXRSKSDLUACL-UHFFFAOYSA-N	302.563	3.696	50	40	DHGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccn1	381445	PGMCGODIZBNOFO-KGENOOAVSA-N	317.348	3.638	50	40	DHGB	
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)NC1CCCCC1	573834	LNZYCFVQDDCQPU-JQIJEIRASA-N	319.408	3.833	50	40	DHGB	
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	4102995	NQLGNUDZYAUBPL-DETPVDSQSA-N	320.421	3.588	50	40	DHGB	
CCNc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1	17595918	CLQLLVWDGZKNKA-UHFFFAOYSA-N	321.360	3.758	50	40	DHGB	
COc1cc(/C=C(/C#N)C(=O)c2sccc2C)cc(OC)c1	58063624	DCBPZCRPVBFJIH-MLPAPPSSSA-N	313.378	3.864	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1cc2ccccc2n1C	199746435	BSVYVSWYMKDCAY-UHFFFAOYSA-N	320.849	3.695	50	40	DHGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	4544425	ARJRIODXTMVTTN-VSXNHXORSA-N	302.805	3.942	50	40	DHGB	
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCl	5753084	FRSSXWMFKHOZPC-UHFFFAOYSA-N	323.801	3.769	50	40	DHGB	
O=C(CCl)Nc1ccc(C(=O)/C=C/c2cccs2)cc1	13574816	NUEHDGDWXGHFKE-BQYQJAHWSA-N	305.786	3.822	50	40	DHGB	
BrCCc1c[nH]c2cccc(Br)c12	228915628	ABMOTFRPFLIWIT-UHFFFAOYSA-N	302.997	3.868	50	40	DHGB	
Cc1ccccc1NCC(=O)N/N=C/c1cccc2ccccc12	59067	GUMXJCAQTDZTFB-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
CC(=O)c1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1	5260831	GNGBADWBPLSODE-UVTDQMKNSA-N	306.321	3.682	50	40	DHGB	
O=C(Cl)c1cc(OC(F)(F)F)ccc1Br	16125789	BCSDAXGRPFTKRE-UHFFFAOYSA-N	303.461	3.727	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\C=C/c2ccccc2)cc1	29764162	RNAXYUYWYNEOJE-ULMKDNCXSA-N	309.390	3.890	50	40	DHGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	83253254	NRZCFYLKQYXRMG-MOSHPQCFSA-N	320.348	3.762	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1c(O)ccc2ccccc12	493639	XPRCWFKANVJSTM-KGENOOAVSA-N	318.376	3.628	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2	62581417	UJQMAPLKVKLYJF-QPEQYQDCSA-N	311.724	3.859	50	40	DHGB	
O=C(Cl)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1	70462212	NMPISWPLVSYBHZ-UHFFFAOYSA-N	303.145	3.618	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(Br)s1	587883	BBVSUNFUJLZGKJ-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccc(Cl)cc1	4978761	GJXHQWRIVCENNG-MDWZMJQESA-N	316.813	3.933	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1	7157350	ADIUDHZUGATULT-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
Cn1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cn1	14093503	GIDWKRPKJOLSPS-AWNIVKPZSA-N	310.357	3.747	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1C	16282812	QFIIUWTXIAGUNC-UVTDQMKNSA-N	310.328	3.688	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cccc(F)c2)o1	409014980	RBANQTQTNKLHEO-FYJGNVAPSA-N	322.339	3.779	50	40	DHGB	
O=C(Cl)OCCCC(F)(F)C(F)(F)Br	1083809763	GCAMRNNNNJJIHI-UHFFFAOYSA-N	301.461	3.765	50	40	DHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1	6346390	FTOWWSVGCCNHIN-LANLRWRYSA-N	305.381	3.567	50	40	DHGB	
CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1	8729558	OQIIGLKQFUYCNT-CSKARUKUSA-N	304.729	3.902	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C\C=C\c2ccccc2)c1	23397251	OODHICIXKCKGIQ-GIBOTOSGSA-N	308.381	3.578	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c1	36768541	SIGFVFPBSQZDIP-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc3ccccc3c2)cc1	223379	NYNSLCQDVJAQGF-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
O=C(COc1ccc2ccccc2c1)N/N=C/[C@H]1CC=CCC1	4646701	RNHTZJWYNHRSRR-NPRIEWAGSA-N	308.381	3.677	50	40	DHGB	
Cc1ccccc1-c1noc(/C(C#N)=C\c2ccc(C#N)cc2)n1	96814787	GRIOEFJNPLMEJI-YBEGLDIGSA-N	312.332	3.981	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C	223228040	LCFMTANOEUNQAG-MRXNPFEDSA-N	315.461	3.546	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)cc1C	408773350	QQMHUCXGZXUABE-YVLHZVERSA-N	307.397	3.804	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc1	409361309	CGJLTHBXXUDRCQ-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)C(C)C	40139973	JNDNFFZSAJMLJX-IZZDOVSWSA-N	308.175	3.590	50	40	DHGB	
CO[C@@H](C(=O)N/N=C(\C)c1ccc(Cl)cc1)c1ccccc1	408770669	ABUCNOVLUMMSJS-PUMYGXPMSA-N	316.788	3.568	50	40	DHGB	
Cc1c(C)c2cc3c(=O)c(CCl)coc3c(C)c2oc1=O	1629593	KWEJDYVGJIICCR-UHFFFAOYSA-N	304.729	3.563	50	40	DHGB	
C[C@H](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)Cl	1638621	KRYAAKUROZUYRW-HWRGOXINSA-N	320.240	3.796	50	40	DHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1O	15219177	PQONBCHZRVCIEN-DHDCSXOGSA-N	322.364	3.563	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cccc(F)c1	19973737	JJDLOQIHVUFKKT-VGOFMYFVSA-N	316.339	3.834	50	40	DHGB	
COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)o1	408718599	HMAVHERVESIFOG-ODLFYWEKSA-N	308.337	3.514	50	40	DHGB	
Cc1c(/C=N/NC(=O)CCc2ccccc2)c2ccccc2n1C	408947775	BHQVIRFQBKPNSS-KGENOOAVSA-N	319.408	3.570	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	4739478	AAWSVLDBQIXZJQ-CIAFOILYSA-N	309.413	3.681	50	40	DHGB	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1[C@@H]1C=CCCC1	8579888	CSUSGCVWHUAESF-MFKMUULPSA-N	324.409	3.664	50	40	DHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)o1	39127481	NHRVGKFUTCYESH-QINSGFPZSA-N	323.396	3.980	50	40	DHGB	
CC(C)COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1	169885269	TYDOEUIYWDOGAA-XDHOZWIPSA-N	311.385	3.877	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	511982	VFGJZUKHGONSEE-FYJGNVAPSA-N	318.376	3.547	50	40	DHGB	
Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21	5898641	NFEPHDORUJGJOX-RGVLZGJSSA-N	317.348	3.688	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1C1CCCCC1	8011746	XQQACCVMLJARKF-FYJGNVAPSA-N	324.428	3.769	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1C1CCCCC1	8012085	NSHNXJOPKMMATG-FYJGNVAPSA-N	324.428	3.769	50	40	DHGB	
Cn1nc(C(F)(F)F)c(C(=O)Cl)c1Oc1ccccc1	12370777	SNBCZQCICOQZPC-UHFFFAOYSA-N	304.655	3.610	50	40	DHGB	
CC(C)(C)c1ccc2c(c1)C[C@@H](CI)O2	218742681	QGTRRBHNKPCYFA-NSHDSACASA-N	316.182	3.723	50	40	DHGB	
CC/C(=N\NC(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2	4651675	ZEGZDZPYBKTLJP-HEHNFIMWSA-N	311.429	3.794	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1	5288767	LENQNKOOBSBIHK-MHENUPEQSA-N	312.800	3.984	50	40	DHGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccc(Br)cc2)C1	13477447	DVWAQHPHOKFZOS-OIRDJALBSA-N	309.207	3.745	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1C	44028737	RNBDLDGOWHXJFU-LZYBPNLTSA-N	305.333	3.822	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	408808552	JJGNODAILHDFTP-JMRXEAOASA-N	308.381	3.670	50	40	DHGB	
N#C/C(=C/c1ccco1)c1ccc(I)cc1	409372789	NMVMTSVYGWNCAC-FLIBITNWSA-N	321.117	3.948	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@H]2C)o1	4306512	BMFXPTWLNORZHH-RYGRJTBMSA-N	322.364	3.957	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2ccc3ccccc3c2O)c1	5619415	BZXAHTSVMLHASV-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc4c(c3)OCO4)[nH]c2c1	33411426	JVCRAPAAOAUNJA-QPEQYQDCSA-N	303.321	3.664	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	1625114	QODUPRCGIMGYHT-UKTHLTGXSA-N	310.246	3.725	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	3222181	DRHHPGFILNKJHX-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(O)c(OC)c1	4972284	SGYBSOKDKDLGAI-WQLSENKSSA-N	311.274	3.531	50	40	DHGB	
COC(=O)c1cccc(CCCO[Si](C)(C)C(C)(C)C)n1	228937915	OREXJLNZIZREEO-UHFFFAOYSA-N	309.482	3.823	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	15220062	AKNMJQONIPCMLB-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	215857834	YCVKLDJPPFAKJC-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
N#CC1=C(N)Nc2oc(-c3ccccc3)nc2[C@@H]1c1ccccc1	368801	BGLKXSHHIPVEQN-OAHLLOKOSA-N	314.348	3.593	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1	5316757	SZFXLQXNFALWDT-NYJBXQQLSA-N	322.408	3.729	50	40	DHGB	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1	44028757	SWSWBLCSGMAGLV-RIYZIHGNSA-N	323.373	3.927	50	40	DHGB	
Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)CCCl)c1	89669333	JHXPBOSWAKWQNJ-HNNXBMFYSA-N	316.788	3.895	50	40	DHGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(C)cc2C)cc1	408711664	DLGHGCRQESJEEU-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
CCOC(=O)[C@H]1C[C@@H](Cl)c2c(ccc3cc(OC)ccc23)N1	1740411	KRAMWBCCPHPNDF-UKRRQHHQSA-N	319.788	3.876	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1N)c1cccc2ccccc12	6295504	CQUQSVRJEROBLT-FYJGNVAPSA-N	303.365	3.576	50	40	DHGB	
O=C(NNc1ccccc1Br)Nc1ccccc1	14198747	RIIRAFMDSLFAFP-UHFFFAOYSA-N	306.163	3.598	50	40	DHGB	
N#C/C(C(=O)c1cccs1)=C(/O)Nc1ccc(F)cc1F	100935900	LRZGBJSXXDNGCB-ZROIWOOFSA-N	306.293	3.614	50	40	DHGB	
C/C(Cc1ccccc1)=N\NC(=O)[C@H](C)Sc1ccccc1	408719619	ZTRMMBAUESESKH-FHHIAAGZSA-N	312.438	3.902	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1F	409119940	UTLFWYXLCOPQKZ-VXLYETTFSA-N	320.751	3.642	50	40	DHGB	
Cn1cccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	17054842	VVCIQNFNIDIRIS-DHZHZOJOSA-N	319.286	3.590	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	3617324	NXZJUFYZIYUGDX-WOJGMQOQSA-N	311.406	3.950	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1	4702494	ISGFSUATMNWGJF-UDWIEESQSA-N	310.397	3.762	50	40	DHGB	
O=C(N/N=C\c1cc(Cl)ccc1O)c1cc2ccccc2o1	96203381	RMLSACRHVLYLAO-NVMNQCDNSA-N	314.728	3.556	50	40	DHGB	
COc1ccc(/C(C#N)=C/c2ccc(N(C)C)cc2)cc1OC	408580832	RXYFWMQASHUERS-LFIBNONCSA-N	308.381	3.834	50	40	DHGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1	408604174	UCPAXMDEDSIBOQ-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2ccccc2Cl)cc1	3182209	NORAPHIOWMCGAY-UHFFFAOYSA-N	308.724	3.990	50	40	DHGB	
CO[C@@H](C(=O)N/N=C/c1ccc2ccccc2c1)c1ccccc1	3167241	MOXZSBRJSQSTGT-KNGGAZFVSA-N	318.376	3.678	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1cccc(Br)c1	13896586	VJFCERMWELIQHP-OQLLNIDSSA-N	313.195	3.698	50	40	DHGB	
O=C(O)[C@@H](Br)Cc1ccccc1Oc1ccccc1	225012944	BGBITRJNHYMFBD-ZDUSSCGKSA-N	321.170	3.870	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)c(C)c2)cc1	559071	PSBCKUYPDKNMLF-KGENOOAVSA-N	321.424	3.668	50	40	DHGB	
CN(C)c1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	1458053	LZJFZLXODNPZOP-KGENOOAVSA-N	317.392	3.670	50	40	DHGB	
O=c1c2ccccc2nc(CCl)n1-c1ccccc1Cl	3184356	ZFWRTNVOAGHCOM-UHFFFAOYSA-N	305.164	3.778	50	40	DHGB	
CCc1cccc2c(/C=N/NC(=O)c3cc(C)oc3C)c[nH]c12	3609479	ZMXOEYWQJVGIGO-KEBDBYFISA-N	309.369	3.704	50	40	DHGB	
COC(=O)c1ccccc1/N=C/C(Cl)(Cl)[C@H](C)Cl	17159920	HNDRMZUSYBMBML-LBBJYAOWSA-N	308.592	3.977	50	40	DHGB	
O=C(CSc1nc2ccccc2o1)NN=C1CCCCCC1	59417030	BZWMNBYDILOOHH-UHFFFAOYSA-N	317.414	3.746	50	40	DHGB	
Fc1ccc(CI)c(Br)c1	82879998	HBNJWOIAXPDVSS-UHFFFAOYSA-N	314.923	3.523	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OC	409363480	LZJMLIYKZDPNRT-NVNXTCNLSA-N	323.348	3.887	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1c(OCC)n(CC)c2ccccc12	227537	OHGSVGPEOIZQDE-QBFSEMIESA-N	312.369	3.530	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	2248712	CWKGFSPDKZEPTO-LFIBNONCSA-N	324.380	3.573	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)c2ccccc12	20176156	MSLKPZGHALTVDE-PTNGSMBKSA-N	308.381	3.670	50	40	DHGB	
N#CC1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O	38487984	DGZXIVKAPOHGSZ-UHFFFAOYSA-N	316.769	3.630	50	40	DHGB	
O=C(CCCCCl)c1ccc(OCCN2CCCC2)cc1	575359092	QAQQPKSDYDFWRD-UHFFFAOYSA-N	309.837	3.753	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	244862	JCFJLEVZYGCJQT-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1	351026	RIPKDPUVJBSBGH-INIZCTEOSA-N	323.396	3.717	50	40	DHGB	
COc1ccc(C/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1	4694408	IQYODERPOOIHFO-XDHOZWIPSA-N	316.788	3.697	50	40	DHGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C	408769165	PIVQZDQFZRDHMK-AQTBWJFISA-N	321.424	3.870	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccccc2Cl)c1	137670	SBZIRHWJYFTFTB-OTGIAGGSSA-N	316.788	3.566	50	40	DHGB	
N#C/C(=C\Nc1ccc(C(=O)O)cc1)c1nc2ccccc2o1	3021326	DHEQJIRQOOPMPE-ZRDIBKRKSA-N	305.293	3.503	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccn1	5222576	DRBASIWPZASSAF-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
N#CC(C(=O)[C@H](Cl)c1ccccc1)=C1Nc2ccccc2N1	6017287	CTPWUGTUSNWJOV-OAHLLOKOSA-N	309.756	3.808	50	40	DHGB	
COc1ccc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1OC	136649852	ZOSPQRGMELVMDC-RIYZIHGNSA-N	310.309	3.676	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C	408994184	GYXWYDZVDATATA-MHWRWJLKSA-N	323.396	3.576	50	40	DHGB	
Cn1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21	409361397	HDBBINHHFCCINM-ZSOIEALJSA-N	302.333	3.971	50	40	DHGB	
CC(C)(CCl)C(=O)c1ccc(OCCN2CCCC2)cc1	575358862	HBIZVHYJSINWJG-UHFFFAOYSA-N	309.837	3.609	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1cc2ccccc2cc1O	498251	YVTWKYBEVRJJKD-VCHYOVAHSA-N	310.378	3.679	50	40	DHGB	
CCC(C)(C)C1CCC(=NNC(=O)[C@H](O)c2ccccc2)CC1	5791973	PTGYVUQAYYQZDZ-OMOCHNIRSA-N	316.445	3.819	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O	45901	NGQQUJDEAANSKS-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1nccs1	2632655	FYHZZRXNHZGEHR-SOFGYWHQSA-N	324.192	3.996	50	40	DHGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(F)cc1	5215264	VMFLOIRLKSATSC-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/[C@@H](C)c1ccccc1	8497176	HBLAFULEQAZXCK-DDLUMYACSA-N	310.397	3.588	50	40	DHGB	
C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N	70665791	WAYJZBKPYHUYKH-ZDNSCYFHSA-N	311.425	3.693	50	40	DHGB	biogenic
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1	62477	BGZUOYDFOVFXLF-VJNOGQACSA-N	317.392	3.730	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc12	5720368	UOHTYUYKPWBGSF-QINSGFPZSA-N	320.392	3.814	50	40	DHGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc2ncccc12	3529662	UOYRTQXACWYGBF-SDNWHVSQSA-N	317.323	3.920	50	40	DHGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1cccnc1	4332026	XXBOROGIEISETB-UHFFFAOYSA-N	314.348	3.540	50	40	DHGB	
C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1	13136821	ZVLGUDCKNWYLPF-QNGOZBTKSA-N	324.424	3.903	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(C)cc1	33644210	YDXSGKLEXOHQRD-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
Cc1ccccc1NC(=O)N/N=C/c1c(C)n(C)c2ccccc12	59679140	GZDMLIRTGWEHSB-UDWIEESQSA-N	320.396	3.951	50	40	DHGB	
N#C/C(=C\c1ccnc2ccccc12)c1nnc2n1CCCCC2	584908768	QFMSKPUHYRGLDK-NTCAYCPXSA-N	315.380	3.617	50	40	DHGB	
CC(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	568839	CVHANSJJKYSRCY-UHFFFAOYSA-N	316.788	3.538	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	2744147	WORHMGIOXCEICJ-JLHYYAGUSA-N	317.348	3.722	50	40	DHGB	
N#CC(C#N)=C(Nc1ccccc1F)SCc1ccccn1	72408139	FWELTWAZJRXTFC-UHFFFAOYSA-N	310.357	3.825	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)cc1C	408958208	XUODBQOWPHFQFF-YEQJUMHLSA-N	314.429	3.611	50	40	DHGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2cccs2)N=C1O	9015793	DVOZOHPFZNCFDJ-CYBMUJFWSA-N	313.407	3.888	50	40	DHGB	
O=C(CCl)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1	85344994	NNHCUUMAASNDGP-CYBMUJFWSA-N	323.179	3.850	50	40	DHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	111677220	KDKNRIVUQCOTBM-LCYFTJDESA-N	312.756	3.894	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1	584627	LJUNVVFWWNQKMN-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC=C(C#N)C#N	6206648	VULKFTYGGMBJPX-UHFFFAOYSA-N	323.377	3.935	50	40	DHGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)C(C)(C)C)cc1	6563259	RRVROTLJFDCZHJ-UKTHLTGXSA-N	309.369	3.607	50	40	DHGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc[nH]2)cc1	36243698	SADCRQJOKMCNEX-OKLNLNMGSA-N	309.413	3.566	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2C)c1	39486050	NQGWZFIGTGMMOG-YBEGLDIGSA-N	306.365	3.858	50	40	DHGB	
COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	104044989	JLKBXDGMZFCRPY-DEPCRRQNSA-N	311.425	3.806	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c1C	211570111	MAPGDLVJQFFFAC-DHDCSXOGSA-N	321.336	3.757	50	40	DHGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(N)=S	408541788	DUAUPJUTNMVINC-GDNBJRDFSA-N	317.417	3.883	50	40	DHGB	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(N(C)C)cc1	408770793	APBDJSOVOXKKLS-VBKFSLOCSA-N	305.381	3.607	50	40	DHGB	
C/C(=N\NC(=O)CNC1CCCCC1)c1cccc2ccccc12	409375130	FZJBMSZXDQKSKO-PXLXIMEGSA-N	323.440	3.602	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccccc2cc1O	4156362	FHDFNOYOFXNWQI-UHECLXFJSA-N	308.381	3.697	50	40	DHGB	
COCc1ccccc1P(c1ccccc1)c1ccccc1	102055251	QLKNTHXMJDKIQM-UHFFFAOYSA-N	306.345	3.591	50	40	DHGB	
C[C@@H]1CCC2=C(C#N)C(=C(C#N)C#N)NC(c3ccccc3)=C2C1	170622688	CSHPIHPMDYXNBA-CYBMUJFWSA-N	312.376	3.942	50	40	DHGB	
CC(=O)[P@@]1(=O)c2ccccc2Nc2cc3ccccc3cc21	408720704	XFGMBZZWUPRIPJ-JOCHJYFZSA-N	307.289	3.757	50	40	DHGB	
Cc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	70932	WIENPEIVMXUIDJ-AEFFLSMTSA-N	314.392	3.589	50	40	DHGB	
CCN(CC)Cc1ccc(N(CCCl)CCCl)cc1	1763143	SHTZEXBGFIVARG-UHFFFAOYSA-N	303.277	3.812	50	40	DHGB	
CC[C@@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1	2768003	SVMRIYWJESACIK-SSDOTTSWSA-N	317.241	3.877	50	40	DHGB	
C=CCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(C)cc2)cc1	408737090	IDLHSERSJGJSRE-PGMHBOJBSA-N	322.408	3.643	50	40	DHGB	
COC(=O)c1cc(-c2cocc2C=C(C#N)C#N)ccc1Cl	245564	NGNZDXUWKVKIMB-UHFFFAOYSA-N	312.712	3.817	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1	1009037	UOOWJIFFARTSAC-DTQASYIRSA-N	322.817	3.628	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1	6048025	CAMHPKSILFCJEI-CZIZESTLSA-N	310.397	3.875	50	40	DHGB	
CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2cscn2)cc1	40549547	WMJIAGVOXHJSKH-AUWJEWJLSA-N	312.394	3.854	50	40	DHGB	
CC1(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])[C@@]2(C)CC[C@@H]1C2	100082737	DXENNOBCAIEHIF-YBYFVIIMSA-N	315.373	3.527	50	40	DHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1F	408768016	RZDZVERVTZEQIX-VXLYETTFSA-N	316.401	3.518	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1O)c1cccc2ccccc12	4545156	VEUQJLVCLLLDPF-DEDYPNTBSA-N	304.349	3.699	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	5247646	RESWTBQWQCJTSI-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
O=C(COc1ccccc1)N/N=C\c1c(Cl)cccc1Cl	33320082	OUJFKLRSBAOCAP-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(F)cc2)c1C	82068010	UIPLECWVSQAHGV-ZSOIEALJSA-N	310.328	3.763	50	40	DHGB	
CN(C)c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1	408691490	ANFDVECPLZZSHO-WJDWOHSUSA-N	302.381	3.709	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC1CCCCC1	1448347	NGQQYTKDQKRYSZ-SDNWHVSQSA-N	307.397	3.832	50	40	DHGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12	5529948	WCISRAYKVLSOCG-JVIUNVGKSA-N	322.408	3.822	50	40	DHGB	
O=C1Nc2ccccc2/C1=C\C(=O)c1ccc(CCCl)cc1	33295893	RHCSSGCPGXBBGS-RVDMUPIBSA-N	311.768	3.686	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1	33689386	UERNGZWNTLKPIL-YBEGLDIGSA-N	317.797	3.987	50	40	DHGB	
Cc1nc2sccn2c1C(=O)NN=C1CCCCCCC1	59516179	NTGVYQLNBCPXTO-UHFFFAOYSA-N	304.419	3.534	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408568338	SSPFNFYLJSEAEB-GHXNOFRVSA-N	323.327	3.783	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1	3312152	LLLUNVSIIMWQOM-JLHYYAGUSA-N	303.321	3.682	50	40	DHGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1ccco1	4545142	TWASTVIYMDWCRZ-WOJGMQOQSA-N	310.378	3.675	50	40	DHGB	
N#C/C(=C\c1ccc[nH]1)C(=O)Nc1cc(Cl)ccc1Cl	17031263	DQTGAEWXHHMCIP-RMKNXTFCSA-N	306.152	3.867	50	40	DHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(F)s1	252509456	YOERRWKLJQCZQF-VXLYETTFSA-N	320.433	3.944	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccccc2F)o1)c1ccccc1O	2194312	ZPQYFQZEZWYJLA-RGVLZGJSSA-N	324.311	3.555	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O	7931907	MTCXMJZXPCPGLX-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1	57351588	KPFDDYZTZKGOEW-UHFFFAOYSA-N	315.682	3.511	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)Nc1ccccc1	83292347	FMNDCRMMNVZUPC-WQRHYEAKSA-N	317.776	3.894	50	40	DHGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1	278819	YRHOURFJUOSMPW-GFCCVEGCSA-N	318.829	3.988	50	40	DHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1	2790484	OWGNBVMMUAMUQL-XSFVSMFZSA-N	309.413	3.605	50	40	DHGB	
COC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	4525954	FSHNOTNLIPSBFY-VCHYOVAHSA-N	318.760	3.609	50	40	DHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	5568584	RGAFQZKOFJWMNV-DJKKODMXSA-N	322.195	3.556	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(F)cc1	13208194	GDWMWCZTIPYPRM-INIZCTEOSA-N	317.323	3.592	50	40	DHGB	
COC(=O)c1ccccc1/N=C/C(Cl)(Cl)[C@@H](C)Cl	17159917	HNDRMZUSYBMBML-XUNMKLQISA-N	308.592	3.977	50	40	DHGB	
Cc1cc(C)c2cc(/C=C(/C#N)C(=O)C(C)(C)C)c(=O)oc2c1	35618562	DZXXTNVJVRNJGW-ZSOIEALJSA-N	309.365	3.932	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1C	194518464	LYWWKANDVJVOHM-LZNAANCOSA-N	320.392	3.788	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)o2)cc1	216065500	NNNRRVMRSMMIJN-QGOAFFKASA-N	300.358	3.531	50	40	DHGB	
COc1ccc(F)cc1C(=O)CCCCCBr	575357640	PNIDYYSYSKCMEC-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C/C=C/c2ccccc2)cc1C	59720932	JJECOULSCHJFKS-XZHCKZKCSA-N	307.397	3.531	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC	408742873	QFULZBYXNYXOSD-LGMDPLHJSA-N	318.376	3.969	50	40	DHGB	
COC(=O)c1cc(-c2ccc(C=C(C#N)C#N)o2)ccc1Cl	288243	YCJXMLSYFHBGMW-UHFFFAOYSA-N	312.712	3.817	50	40	DHGB	
CCCCCC(=O)N/N=C/c1ccc(Br)s1	5459101	NINNBKMDRIZCGN-MDWZMJQESA-N	303.225	3.541	50	40	DHGB	
Cc1cc(Br)c2nc(NC(=O)CCl)sc2c1	20131757	KCXODEQXDROKHV-UHFFFAOYSA-N	319.611	3.545	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408800166	NIEHKUUTFIHEHB-KNGSKEOJSA-N	300.402	3.543	50	40	DHGB	
CCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1614612	YHVWFMWREZSBEW-RNCFNFMXSA-N	301.180	3.666	50	40	DHGB	
Cc1ccc(O)c(/C=N\NC(=O)c2cccc3ccccc23)c1	103617997	VRGYFZAJIIKRTL-NDENLUEZSA-N	304.349	3.618	50	40	DHGB	
Br[C@H]1CC[C@@H]2S[C@@H]1CC[C@H]2Br	104208037	FEIYJFZEHGKDEN-KVFPUHGPSA-N	300.059	3.571	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)cc1	409362529	HNTJHTPLVGCJQO-XDHOZWIPSA-N	300.789	3.595	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccccc2Cl)c1	137664	SBZIRHWJYFTFTB-MDBUFAAASA-N	316.788	3.566	50	40	DHGB	
COc1ccc(CC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	369398	PNBLCKRTWABXJR-UHFFFAOYSA-N	316.445	3.946	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1	372779	QOZHVZGFNFNPJN-UDWIEESQSA-N	321.380	3.639	50	40	DHGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(O)c1	3579925	FOEIEMFLILUVNV-UHFFFAOYSA-N	314.344	3.555	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	15219368	WZGGQJZYLIHFRU-VBKFSLOCSA-N	305.381	3.607	50	40	DHGB	
COc1ccc(/C=C/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1	33738378	TUKWLSAIGDBEMM-JYINNEJESA-N	320.348	3.503	50	40	DHGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(C)o2)c1	353812	QUZOMXNIEXYKIT-VXLYETTFSA-N	314.385	3.549	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1C[C@H]1c1ccccc1	4188201	BGZUOYDFOVFXLF-UQKXMBGOSA-N	317.392	3.730	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1	7158012	OFKZHCSLWOCAFD-QBDRBRNDSA-N	312.413	3.687	50	40	DHGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc[nH]2)cc1	36243702	SADCRQJOKMCNEX-SJJRUYGKSA-N	309.413	3.566	50	40	DHGB	
C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)C#N	97949708	HTJJHIYXGFLKJV-LNMJFAINSA-N	306.409	3.599	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2cccc(C)c2)c2ccccc12	46157	RPICNTAYXADBSP-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
N#C/C(=C(\Sc1cccc[n+]1[O-])C(F)(F)F)c1ccccc1	165392	UQQLMIABLLWDKN-WYMLVPIESA-N	322.311	3.909	50	40	DHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1	3091190	XVYMFJMRHLJIMU-LIJKSJPWSA-N	313.788	3.567	50	40	DHGB	
COc1ccc(/C=C/C(=O)C(C#N)=C2Nc3ccccc3N2)cc1	5817912	SRRRJUBLDTVRCB-DHZHZOJOSA-N	317.348	3.550	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1	6502164	FCHDSWDXAZZSFA-MHWRWJLKSA-N	322.389	3.815	50	40	DHGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1cccc(Cl)c1Cl	17054474	QPJOGZZISPCLIL-CSKARUKUSA-N	318.163	3.934	50	40	DHGB	
CC(C)(C)OC(=O)n1c(CBr)nc2ccccc21	26422644	QQHSPDNLUDVJEI-UHFFFAOYSA-N	311.179	3.714	50	40	DHGB	
O=C(CBr)c1ccc(Br)cc1Cl	84199216	VTZNOGGPTVZJGE-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	4947179	YDEQGKJVKNRYCZ-VMSRJFQJSA-N	324.424	3.853	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)[C@H](C)SCc1ccccc1	58915939	OCQAIDRDOLAOJP-VZWMTCDZSA-N	318.467	3.829	50	40	DHGB	
FC(F)(F)C[C@@H](Br)C(F)(F)Br	71790231	MQOPSKICBXWWDP-UWTATZPHSA-N	305.866	3.690	50	40	DHGB	
C/C(=C\c1ccco1)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	4475683	LXZNLIFWDLPZFL-BPLPYTOXSA-N	324.380	3.666	50	40	DHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	4544411	XQDJINDYSLAXCR-ZBTQSTBISA-N	318.804	3.647	50	40	DHGB	
CC(C)(C)OC(=O)n1ncc2cc(CBr)ccc21	80443769	LKQALJCINTYLIY-UHFFFAOYSA-N	311.179	3.714	50	40	DHGB	
CSc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	112758	MEBUGXQRVIWUQQ-LICLKQGHSA-N	304.802	3.826	50	40	DHGB	
CSc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1	237630	SMPUOPSPJOHYOK-SDNWHVSQSA-N	300.427	3.764	50	40	DHGB	
Cn1c(C=C(C#N)C#N)ccc1-c1ccc(Br)cc1	538189	GMNOXGNZDZVBHX-UHFFFAOYSA-N	312.170	3.885	50	40	DHGB	
C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccccc1	4704990	WINGOVUZZAEAHK-RCCKNPSSSA-N	318.376	3.759	50	40	DHGB	
Cc1ccc(NC(=O)[C@H](Cl)c2ccccc2)c([N+](=O)[O-])c1	5781672	VHRZOMWZXLEUBT-CQSZACIVSA-N	304.733	3.822	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)c(C)c2)cc1	8254784	UOSYSRWGRBATGU-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
N#CC1=C(NC(=O)NCc2ccccc2)S[C@@H]2CCCC[C@H]12	26803069	IFWFPOOWBOBBGL-UKRRQHHQSA-N	313.426	3.527	50	40	DHGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C2	102250142	FMNLLNYWLXWVQC-BIZJQFJISA-N	315.373	3.527	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)CNc1ccc2ccccc2c1	31083	ZKTUSNQYNZPKAM-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c1	244879	NKMIFXGQZIRIDO-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
N#CC(C(=O)[C@@H](Cl)c1ccccc1)=C1Nc2ccccc2N1	6017284	CTPWUGTUSNWJOV-HNNXBMFYSA-N	309.756	3.808	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1	6230023	CMAYCHRKYRLGPM-ZSOIEALJSA-N	310.309	3.676	50	40	DHGB	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(OC)c1	207823732	GLEKFSAEYYIPRX-PTNGSMBKSA-N	322.364	3.640	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408567035	KJSPBTAJNIARJI-UVTDQMKNSA-N	317.323	3.778	50	40	DHGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cc2ccccc2o1	559433	RMLSACRHVLYLAO-GIJQJNRQSA-N	314.728	3.556	50	40	DHGB	
Cc1cccc2sc(NNC(=O)c3ccc(F)cc3)nc12	4121288	OKKDPWIVGOVERI-UHFFFAOYSA-N	301.346	3.501	50	40	DHGB	
Cc1cccc2sc(NNC(=O)c3cccc(F)c3)nc12	4121289	SXRYHDAYKBYIME-UHFFFAOYSA-N	301.346	3.501	50	40	DHGB	
Cc1ccc(C(=O)NNc2ccc(Br)cc2)cc1	6922795	XHMSENMDHBLDKO-UHFFFAOYSA-N	305.175	3.514	50	40	DHGB	
COc1ccc(/C(C#N)=C2\C=C/C(=N/O)c3ccccc32)cc1	102908909	CYCYSCSRPYPQLM-DHZPKXATSA-N	302.333	3.878	50	40	DHGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1Cl	524152	LKWSGAZFPJIIHS-QGMBQPNBSA-N	311.143	3.896	50	40	DHGB	
CC(C)CCC(O)(CCC(C)C)C(=O)NNc1ccccc1	2272124	YANUSFIWLBUWJQ-UHFFFAOYSA-N	306.450	3.733	50	40	DHGB	aggregator
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1	13325284	LENQNKOOBSBIHK-XWXBZMLMSA-N	312.800	3.984	50	40	DHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	20248092	IWCKHCIPAPVVBH-MBNTZHJCSA-N	318.829	3.971	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)c(OC)c1	44028508	NFXBJSRXKNWHML-MDWZMJQESA-N	313.378	3.864	50	40	DHGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c1	581940	DRNXEKLLBCXLEI-UDWIEESQSA-N	323.396	3.532	50	40	DHGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1	4587105	SCXSRBFVQLHMBV-CIAFOILYSA-N	322.339	3.839	50	40	DHGB	
N#C/C(=C1/C=C/C(=N/O)C(Br)=C1)c1ccccc1	100467750	TYXFBKRRSUTTPT-VPJURZAQSA-N	301.143	3.643	50	40	DHGB	
N#C/C(=C\c1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1	344662	OYLGLDBNEAODAT-UKTHLTGXSA-N	321.361	3.949	50	40	DHGB	
Cc1cc(C)cc(OCC(=O)NN=C2CCCCCCC2)c1	4691383	PJOOFHWRUMRZIS-UHFFFAOYSA-N	302.418	3.899	50	40	DHGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1	38373720	KBRCDVVTNPPJTP-UNOMPAQXSA-N	314.772	3.669	50	40	DHGB	
Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1ccc(Cl)cc1	67299977	KCCJEUXSHKNPBX-DHZHZOJOSA-N	301.802	3.539	50	40	DHGB	
FC(F)(F)[C@H](Br)c1cc(Br)ccn1	91366002	LXNYFFIEILOKAF-ZCFIWIBFSA-N	318.918	3.842	50	40	DHGB	in-vitro
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc2ccccc2[nH]1	98055350	SGRRMIIWQPSEIL-YRNVUSSQSA-N	319.755	3.928	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	59032	UFWRSXLKSMFBEM-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCl	6126247	ZHEQTPDVHRJINZ-UHFFFAOYSA-N	323.801	3.769	50	40	DHGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1	33314034	FVZATUVZNQDTNQ-UNOMPAQXSA-N	313.401	3.507	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1	47843971	FQQWGHGXXLNTOG-VIFPVBQESA-N	308.790	3.566	50	40	DHGB	in-vitro
CCOC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	71328731	JGDIYMNELIXDNX-RQZCQDPDSA-N	306.749	3.988	50	40	DHGB	
O=C(N/N=C\c1ccccc1)C12[C@@H]3CCC[C@@H]1C32c1ccccc1	101027896	HPYLMANWVPBFCV-TWXAUKMPSA-N	316.404	3.505	50	40	DHGB	
Cc1ccc(CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1	409132098	OPZOYDBZYPHWJN-AWEZNQCLSA-N	324.405	3.860	50	40	DHGB	
Cc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	70936	WIENPEIVMXUIDJ-SJLPKXTDSA-N	314.392	3.589	50	40	DHGB	
COc1ccc(NC(=C(C#N)C#N)C(F)(F)C(F)(F)F)cc1	92302	CIQKKVBYLKIOTB-UHFFFAOYSA-N	317.217	3.606	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1	6009024	JCUNMAKZDQTQCV-RAXLEYEMSA-N	317.348	3.722	50	40	DHGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1	6346411	FTOWWSVGCCNHIN-KOMLCTQHSA-N	305.381	3.567	50	40	DHGB	
COC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2C)o1	252494109	NLAKTOFEDKPSKP-FLIBITNWSA-N	301.729	3.988	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)cc1	354574	UAEMIAMYLRWYFF-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	13988997	SFQVGUJVHJKYGB-COYFKBPASA-N	320.392	3.870	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1ccc(N2Cc3ccccc3C2)cc1	208769	CWCNUAZNFVSRCP-WOJGMQOQSA-N	318.376	3.677	50	40	DHGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCSCC1	2388786	YEHCRZFDOKHDGU-SOFYXZRVSA-N	315.829	3.703	50	40	DHGB	
Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(C)o2)c1	17031735	LYTYYVWLGQHYHE-CCAPLTMGSA-N	308.381	3.989	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc1	66408201	GSPMERUBKDTMBI-FOWTUZBSSA-N	316.364	3.555	50	40	DHGB	
CC(/C=N/NC(=O)COc1c(C)cccc1C)=C\c1ccccc1	3023058	HNLGNQKFDWTRRH-XLLHXKPXSA-N	322.408	3.888	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)cc1	4456520	JYWIULOZQVIJHS-RAXLEYEMSA-N	312.756	3.894	50	40	DHGB	
O=C(N/N=C/C1CCCCC1)c1ccc(Br)cc1	5513268	UVTNCBUXJJAFMI-MHWRWJLKSA-N	309.207	3.745	50	40	DHGB	
CN(C)c1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	13004676	SEEPCOFQZBDFOL-OUKQBFOZSA-N	303.369	3.605	50	40	DHGB	
O=C(COc1ccccc1)N/N=C\c1cccc(Cl)c1Cl	33319215	DSEJVAPXVKPPAA-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
O=C(NCc1ccccc1)c1ccc(CBr)cc1	36635996	XKKIOFQQBDIYNE-UHFFFAOYSA-N	304.187	3.512	50	40	DHGB	biogenic
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2)cc1	205596110	HVETZYUPBSBSIX-PTNGSMBKSA-N	322.364	3.640	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C	260612753	ARUUGKHUUSUMFR-RHSMWYFYSA-N	317.477	3.636	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C(\C)c2cc(C)ccc2C)cc1	409365986	WZAPLQYGBOUGCI-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)CCl)c2)n1	109069	GOHLFKROPPDHGN-UHFFFAOYSA-N	315.760	3.540	50	40	DHGB	
C[C@H](CCl)COc1ccc2oc(=O)c3c(c2c1)CCCC3	226792794	JSJXJOMZOSWTBJ-LLVKDONJSA-N	306.789	3.926	50	40	DHGB	
O=C(O)c1sc2c([N+](=O)[O-])cc(CCl)c(O)c2c1Cl	228943210	KWIASVVMKNNEEI-UHFFFAOYSA-N	322.125	3.606	50	40	DHGB	
CC(C)(C)OC(=O)N[C@H]1CC[C@@](F)(CBr)CC1	952958977	QMALNSSJLMNOEA-OTCDBFHCSA-N	310.207	3.557	50	40	DHGB	
Cc1ccc(C(=O)/C=C/N(CCCl)CCCl)c(C)c1	2146451	NQDNNSMAGQXAKA-VMPITWQZSA-N	300.229	3.779	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	5016952	UNWDZCMPRNUSJF-GHRIWEEISA-N	307.378	3.887	50	40	DHGB	
Cc1ccc(C(=O)/C=C/N(CCCl)CCCl)cc1C	2146455	NYWBFXZNBRAYCD-VMPITWQZSA-N	300.229	3.779	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1	5381794	IHSVTFAYWNASOU-DEDYPNTBSA-N	310.397	3.844	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(Cl)c1	5384978	NTBDLIDYLDQYKS-OBGWFSINSA-N	302.761	3.590	50	40	DHGB	
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccc(C)cc1C	8686418	YQXATWOKTUWEGB-HNENSFHCSA-N	324.405	3.958	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c1	40139596	QQXFAIMPCYXKBE-XMDNHAFTSA-N	312.413	3.687	50	40	DHGB	
C/C(=N\NC(=O)c1cnccn1)c1ccc(C2CCCCC2)cc1	60512883	JDNVQGPWMIPLJM-HYARGMPZSA-N	322.412	3.678	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(O)c(Cl)c2)c(Cl)c1	409051953	DXZZLBMCGNYYEG-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc2ccccc12	58672	MFBQDVIBFBSHLQ-LJQANCHMSA-N	314.344	3.764	50	40	DHGB	
Cn1c(/C(C#N)=C\c2ccccc2[N+](=O)[O-])nc2ccccc21	5571516	LDWDALMGKMEKLJ-RAXLEYEMSA-N	304.309	3.546	50	40	DHGB	
Cc1csc([C@@H]2C(=N)NC(S)=C(C#N)C23CCCCC3)n1	6537251	DBDHTFKTCSHEQV-NSHDSACASA-N	318.471	3.731	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1Cl	17052224	YVGIIIAZUKNKCD-BXRKRMDBSA-N	312.800	3.984	50	40	DHGB	
C[C@H]1C[C@@H](C)CN(c2ccc(Cl)cc2NC(=O)CCl)C1	34776902	YHSMVJDYVXZGAD-PHIMTYICSA-N	315.244	4.000	50	40	DHGB	
Cc1cc(C)cc(CSCC(=O)NN=C2CCCCC2)c1	59474271	JRQIBPZISMWMCP-UHFFFAOYSA-N	304.459	3.973	50	40	DHGB	
O=C1OC(=O)C23CC4=C(CC=CC4)CC12CC1=C(CC=CC1)C3	68568729	KJVRSPVRRJGNHY-UHFFFAOYSA-N	308.377	3.923	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12)c1ccccc1	5006482	RIDHATNLKLGIHE-DSQDWWTGSA-N	315.376	3.952	50	40	DHGB	
N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1	100005931	OTNYDYNCOCRMDG-FQEVSTJZSA-N	305.361	3.819	50	40	DHGB	
N#C/C(=C/c1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1	108986454	APXGYZXGCCTMAD-GHXNOFRVSA-N	317.270	3.646	50	40	DHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)n1	408980143	VJQJGWPWIIEZBP-LICLKQGHSA-N	323.396	3.782	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)COc1c(C)ccc(C)c1C	4724152	ZZTLOGNUCGXDMC-GIJQJNRQSA-N	316.426	3.511	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1Cl	409053513	YZGZYAOWUBUFRJ-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
C[C@@H](Br)C(=O)c1ccc(CBr)cc1	215849372	CACLYAKUZZTTHO-SSDOTTSWSA-N	305.997	3.548	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)s1)[C@@H]1C[C@@H]1c1ccccc1	6340815	WOVUUKFCTBBDTC-SSTXIFODSA-N	304.802	3.655	50	40	DHGB	
CN(C)c1ccccc1P(c1ccccc1)c1ccccc1	116694713	LRZUEXVJCUCZCM-UHFFFAOYSA-N	305.361	3.511	50	40	DHGB	
COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1	62685	YGUGAKSXNAOFJK-KGENOOAVSA-N	318.376	3.541	50	40	DHGB	
Cn1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21	13424059	QCVBZEGBLVRBLC-KAMYIIQDSA-N	307.397	3.534	50	40	DHGB	
CC(Cc1ccccc1OC(=O)c1ccccc1)=C(C#N)C#N	26962983	IUKAZKKJYDZSAP-UHFFFAOYSA-N	302.333	3.812	50	40	DHGB	
O=C(Cc1cccs1)N/N=C\c1cccc(Cl)c1Cl	30904744	ZFTLSXNVERKXAA-PXNMLYILSA-N	313.209	3.748	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)c1	63412718	BZDCELIDPHMZCN-LFIBNONCSA-N	316.364	3.555	50	40	DHGB	
CC(C)N(Cc1ccccc1)C[C@H]1CCCCN1C(=O)CCl	79415022	OVXZLQBWVLEJPO-QGZVFWFLSA-N	322.880	3.517	50	40	DHGB	
C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(C)cc1	408767858	QEDMQQAYQUOVTG-XDJHFCHBSA-N	312.438	3.936	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1	5163679	BYQRLEONMURORQ-OBGWFSINSA-N	302.761	3.590	50	40	DHGB	
CCOc1ccc(N[C@@H](C)C(=O)NN=C2CCCC[C@@H]2C)cc1	5797094	OTUJSBCXCMHNQY-KBPBESRZSA-N	317.433	3.568	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(F)cccc2F)cc1	6646354	XJEJKOWIIYYZNC-UKTHLTGXSA-N	319.332	3.612	50	40	DHGB	
O=C(/C=C/c1ccccc1)N[C@@H](Cl)C(Cl)(Cl)Cl	41098057	JKEZTWPLBJRQOJ-VQCYPWCPSA-N	313.011	3.751	50	40	DHGB	
C[C@]12CC3(CC(=O)O)CC([C@H](Cl)C(=O)O)(C1)C[C@](C)(C3)C2	100811981	JKZPRSYNGKECDY-IHJRZHOXSA-N	314.809	3.520	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C	6410485	ILJFDCJFKFJQFA-FOWTUZBSSA-N	306.365	3.939	50	40	DHGB	
CC(C)c1ccc(N(Cc2ccccn2)C(=O)CCl)cc1	199756448	KZYOMARPIHLZFK-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)c1ccccc1Br	4735472	IIENLXWDCWAEEI-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
O=[S@@](c1ccc(Cl)cc1)[S@](=O)c1ccc(Cl)cc1	17289605	LCXVCECTWHFMQM-HDICACEKSA-N	319.234	3.824	50	40	DHGB	
CCOC(=O)[C@@H](Br)c1cccc(C(F)(F)F)c1	39271925	HIGHVWUDDYUWTR-VIFPVBQESA-N	311.097	3.705	50	40	DHGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1	971433	XOPTUDCBUYSDOR-HNNXBMFYSA-N	322.412	3.875	50	40	DHGB	
Cc1sc(NC(=O)CCl)nc1-c1ccc(Cl)cc1	2392001	MQXGWXADRZNWGN-UHFFFAOYSA-N	301.198	3.949	50	40	DHGB	
CCOC(=O)N/N=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1	2744598	UQASZVHCCMQPIR-RQZCQDPDSA-N	322.748	3.689	50	40	DHGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCO[C@H]1C	92304700	KDEVVZJODCJLBX-NHYWBVRUSA-N	318.442	3.748	50	40	DHGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1C	408765277	KZSHJHAEXGPBCS-WJDWOHSUSA-N	304.349	3.743	50	40	DHGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1O	408879581	FISDWVDDQPPFFE-MDWZMJQESA-N	312.756	3.900	50	40	DHGB	
N#C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCl	2319644	HWMKHSIUXUVDCP-QGZVFWFLSA-N	312.800	3.909	50	40	DHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	3147549	NSTYOIUUPSTUAS-FYJGNVAPSA-N	324.424	3.822	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	5096970	AOBCVFYJLMAYKG-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
N#C/C(=N/NC(=O)c1ccccc1Cl)c1ccccc1Cl	5496207	OAZKBYJQYZLKST-RGEXLXHISA-N	318.163	3.651	50	40	DHGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@@H]4C=CC[C@H]34)cc2C1	48261524	SNZHWWZLMIUGKD-MNAPZMDMSA-N	314.454	3.945	50	40	DHGB	
CC1(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])[C@]2(C)CC[C@@H]1C2	100082741	DXENNOBCAIEHIF-LPCJAIRMSA-N	315.373	3.527	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@H]2CC[C@@H]1C2	20158988	JTXMUFJZYYCMDM-JGEDQUEHSA-N	306.793	3.588	50	40	DHGB	
N#CC1=C(N)Oc2c(cc3ccccc3c2O)[C@H]1c1ccccc1	63152	LKSYSGBYOHYHFT-QGZVFWFLSA-N	314.344	3.764	50	40	DHGB	
N#CC(Nc1ccc(Cl)cc1)=C1C(=O)c2ccccc2C1=O	149275	QMKJYEUBBYHCOI-UHFFFAOYSA-N	308.724	3.609	50	40	DHGB	
Cc1nn(-c2ccccc2)c2nc(Cl)c(C=C(C#N)C#N)cc12	3194023	GIZHYEFBHYNCOH-UHFFFAOYSA-N	319.755	3.813	50	40	DHGB	
NNC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1	3251855	NGKBAAMZFKJTRU-UHFFFAOYSA-N	318.376	3.536	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)C12CC3CC(CC(C3)C1)C2	100335136	FPAPEQASBSKZKC-ZQGVVKFXSA-N	300.446	3.741	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1	289224	HPMVZCMBUXEOID-IZZDOVSWSA-N	321.163	3.810	50	40	DHGB	
O=C(N/N=C/Cc1ccccc1)c1ccc(-c2ccccc2)o1	4679861	WCQGEOGGWOIEGF-XSFVSMFZSA-N	304.349	3.905	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	211311045	OPXOPZBWSMZUQH-KAMYIIQDSA-N	310.328	3.770	50	40	DHGB	
CCC[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	223221916	YIQGDUQGVQJDRG-NHYWBVRUSA-N	323.868	3.591	50	40	DHGB	
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccco1	2291518	RUECDYSISYARRQ-AWEZNQCLSA-N	302.761	3.616	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2C)cc1	5593043	SGOXUPRXJVOEMM-HMMYKYKNSA-N	310.397	3.856	50	40	DHGB	
CCOc1ccc(N[C@H](C)C(=O)NN=C2CCCC[C@@H]2C)cc1	5797109	OTUJSBCXCMHNQY-UONOGXRCSA-N	317.433	3.568	50	40	DHGB	
C[C@@H]1CC2(CCCC2)N2C(=O)C(=C(C#N)C#N)c3cc(F)cc1c32	14162256	ZRJLYCFOVYDDEL-LLVKDONJSA-N	321.355	3.793	50	40	DHGB	
COc1ccc(/C(C#N)=C2/C=C/C(=N/O)C(C)=C2Cl)cc1	17381082	XABHEHXHSDMSFU-ISSFDRLWSA-N	300.745	3.885	50	40	DHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1	20248024	LIBIUQJYYXEFBJ-MBNTZHJCSA-N	318.829	3.971	50	40	DHGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccco1	28616358	MAPGJTRWHKGPAZ-MOSHPQCFSA-N	320.348	3.623	50	40	DHGB	
O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1CCCl	36626577	JMFIEWGQRAMQQI-CYBMUJFWSA-N	320.801	3.512	50	40	DHGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	44028428	BREKUWVTEKYNCZ-NTEUORMPSA-N	311.362	3.633	50	40	DHGB	
CC(=O)Oc1ccccc1C(=O)CCCCCBr	575361712	IWJNRKUQBMMHCW-UHFFFAOYSA-N	313.191	3.750	50	40	DHGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1ccccc1	429766	WQAUCZQZZRDBQF-UHFFFAOYSA-N	303.774	3.707	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1C(F)(F)F	5946843	JCICOBZKZVFCKB-CIAFOILYSA-N	320.314	3.788	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	7160152	PFWBSIVWIASDCY-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
CC(C)(C)OC(=O)[C@H](Br)c1cc(F)cc(F)c1	199831835	JJPTYJNVOXXHDM-SNVBAGLBSA-N	307.134	3.743	50	40	DHGB	
CCc1ccc(C(=O)N/N=C/c2ccc3ccccc3c2)nc1	353046	XZBQPMUESUYLBH-FYJGNVAPSA-N	303.365	3.561	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1nccs1	6640521	UKTMUVFNDGSDBE-WEVVVXLNSA-N	324.192	3.996	50	40	DHGB	
CC(C)/C(=N/NC(=O)CC1(C)SCCS1)c1ccccc1	408589539	LSNLFUPPKKJCLJ-SDXDJHTJSA-N	322.499	3.749	50	40	DHGB	
COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1C	408807299	BSBRWJMQTYQNIX-ODLFYWEKSA-N	308.337	3.514	50	40	DHGB	
O=C(NCCCl)NNc1c(Cl)cc(Cl)cc1Cl	3205090	QEYVWEOQYDUBQN-UHFFFAOYSA-N	317.003	3.512	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/C=C\c2ccccc2)cc1	12954889	RNAXYUYWYNEOJE-YSWHLYNJSA-N	309.390	3.890	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1C	408780393	BUCVLQCPLJDRHE-ZROIWOOFSA-N	313.788	3.841	50	40	DHGB	
Cc1ccccc1OCCC(=O)N/N=C/c1ccccc1Cl	353873	FEAHGOAUDXZKPC-XDHOZWIPSA-N	316.788	3.568	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1O[C@@H](C)C(=O)O	409019114	YCXLBNXNSDGYET-RKPNYOAGSA-N	323.348	3.611	50	40	DHGB	
Cc1ccc2sc(NNC(=O)c3cccc(F)c3)nc2c1C	429769	SIWLGXFWEHBKBD-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
COc1ccccc1NC(=O)N/N=C/c1ccc(Cl)s1	4681190	SDFAIKXFSPHJDL-OVCLIPMQSA-N	309.778	3.566	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1cc2cccc(C)c2nc1Cl	4976656	FBWYJAOXZCCRDT-JYRVWZFOSA-N	300.745	3.667	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1	5384975	AYMFGNSBRUWVEC-CZIZESTLSA-N	309.413	3.605	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1	13111496	PNAZGMAQDPMFIA-LTGZKZEYSA-N	321.424	3.831	50	40	DHGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	97990489	DYUAGFDWZGIFHV-POHAHGRESA-N	308.175	3.677	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C(C)C)c(OC)cc1C	408810689	KIMJUCNGHCGFFJ-BRYYZUPOSA-N	314.429	3.949	50	40	DHGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C/C=C/c2ccccc2)cc1	5174335	MGSQKWAXSVOLCT-DDUSFEJRSA-N	308.381	3.578	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CC2)c(C)n1C1CCCCC1	57358790	WCGRCOWMNDFWDN-WJDWOHSUSA-N	311.429	3.796	50	40	DHGB	
Cc1ccc(CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1	409132100	OPZOYDBZYPHWJN-CQSZACIVSA-N	324.405	3.860	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccccc1C)c1ccc(Cl)cc1	220598	HLXKAURAUSZBPT-DEDYPNTBSA-N	315.804	3.601	50	40	DHGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCCC1	357532	XBUIBRFSKXMWCQ-SECBINFHSA-N	315.200	3.807	50	40	DHGB	
CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1	9015514	PAPBFOZDAHVCDY-QMMMGPOBSA-N	313.209	3.695	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccsc2)cc1Cl	96663332	LMQMBUVPFXVFAO-WDZFZDKYSA-N	318.785	3.956	50	40	DHGB	
Cc1ccccc1-c1nc2cc(NC(=O)CCl)ccc2o1	216854707	VDQPBMOZKJKZHN-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
N#C/C(=C/c1cccs1)C(=O)Nc1cccc2ncccc12	6438297	PKDNUHDBNNEWSO-BENRWUELSA-N	305.362	3.842	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1	15219852	DDMPPRFDVPFTJV-LGMDPLHJSA-N	319.408	3.861	50	40	DHGB	
CCN(CC)c1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	19419654	IVKBVUNFZDQCPM-UHFFFAOYSA-N	306.413	3.815	50	40	DHGB	
FC(F)(CCBr)C(F)(F)CCBr	100474334	VYOLKYVDEKIAIC-UHFFFAOYSA-N	315.930	3.827	50	40	DHGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cccc(Cl)c2)c1	409364972	PMEOXTPAQRXCIB-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccs1	569177	XQIGEMKCMJBIPR-GIDUJCDVSA-N	315.181	3.524	50	40	DHGB	
N#C/C=C(/NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	5266947	MUAMJBXKPPIPMQ-LZYBPNLTSA-N	313.744	3.902	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)c1C	6217522	SFNAFRVGADYOJN-YVLHZVERSA-N	307.397	3.804	50	40	DHGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(\C=O)c1nc2ccccc2o1	6613166	BYLAFGKHOJGAKT-FMIVXFBMSA-N	323.308	3.696	50	40	DHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc3ccccc23)n1	408981091	YZZCNZHTEKZVGH-GZTJUZNOSA-N	301.349	3.901	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc1	13966376	ALTQOJMJEDQTGU-HMMYKYKNSA-N	310.397	3.856	50	40	DHGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2ccccn2)cc1	54215973	WXYGBZDMSVBWRO-GXDHUFHOSA-N	302.337	3.544	50	40	DHGB	
N#C/C(=C\c1ccn(-c2ccccc2)n1)c1nc2ccccc2[nH]1	98053271	LUPUQMOGVMGDJR-WYMLVPIESA-N	311.348	3.813	50	40	DHGB	
ClC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	100992153	QYJJCRVDKSSKMQ-UHFFFAOYSA-N	312.780	3.909	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C/C=C/c2ccccc2)c1	1807840	OODHICIXKCKGIQ-DHDBNUNQSA-N	308.381	3.578	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1C	5542226	UPULGZMUAHGMHN-RLPGOOFBSA-N	306.409	3.947	50	40	DHGB	
COC(=O)c1ccccc1/N=C\C(Cl)(Cl)[C@@H](C)Cl	104256107	HNDRMZUSYBMBML-QWFSEIHXSA-N	308.592	3.977	50	40	DHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C	408993094	CJFBGAQHGWANGQ-UDWIEESQSA-N	321.380	3.759	50	40	DHGB	
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1cccc(C)c1	12559942	ZTBUBWXLRCXSOT-ZCXUNETKSA-N	310.378	3.650	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccsc1	19824564	WACVNBUHBQXUSI-LFYBBSHMSA-N	304.378	3.757	50	40	DHGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)N(C)C)c1	59334918	CQRRDNSTAICAJA-PDGQHHTCSA-N	320.392	3.569	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	408807788	LAOXLDLUUGGPBB-QCUKBLKESA-N	321.424	3.916	50	40	DHGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1	408938689	REIUFMDWGOQVBU-PTNGSMBKSA-N	322.339	3.936	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C)o1)c1ccc(Br)cc1	573557	MKIQLAFRVLDZDZ-MHWRWJLKSA-N	321.174	3.505	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1C	408790441	RLCQZJGJRPTTSN-UDWIEESQSA-N	305.381	3.559	50	40	DHGB	
CC/C(C)=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	4520502	KJVUUKRIXROCOT-CQHJRZBDSA-N	306.409	3.895	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1	6950036	GWFFVNJRJJGSEM-BRFSQIRFSA-N	320.392	3.870	50	40	DHGB	
CCOc1ccc(/C=N\NC(=O)CC2CCCCC2)cc1OC	104181507	QFFIRXWDRDBALU-UYRXBGFRSA-N	318.417	3.514	50	40	DHGB	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	6832087	DDCYMYLGJULLIT-NBVRZTHBSA-N	315.376	3.826	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1	408799819	LPIOSSJOAROBLM-GYZOOYGHSA-N	320.392	3.788	50	40	DHGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	802615	REUIKYAEKNTPPK-KPKJPENVSA-N	320.739	3.767	50	40	DHGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1	5370387	NAUGTXVXTIQKBA-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccccc2F)c1	408746829	WHXZEIOOEPJRDU-UVTDQMKNSA-N	310.328	3.770	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)c(C)c1	408786753	MZBIKXPBFOXPMG-YVLHZVERSA-N	307.397	3.804	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1C	409050921	DIJINSJVIHRADZ-VXLYETTFSA-N	316.788	3.729	50	40	DHGB	
COc1ccc(C(=O)N/N=C\c2cccc3ccccc23)cc1	5329224	HBNPAPSNZREVSR-MOSHPQCFSA-N	304.349	3.612	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1	60809967	LIAXJMFVWAZGIH-KGENOOAVSA-N	321.380	3.501	50	40	DHGB	
CC(C)CO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1734247	ZLVMDWQCFMCCCO-YGRLFVJLSA-N	315.207	3.912	50	40	DHGB	in-vitro
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\CCC[C@@H](C)C1	5535412	WWUPLYVQLSIGBW-VVLNONDKSA-N	308.809	3.710	50	40	DHGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(C)c(Cl)c1	5874747	NLUPDXMCURHKGT-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
N#C/C(=C1\C=C/C(=N\O)C(Br)=C1)c1ccccc1	12366721	TYXFBKRRSUTTPT-KMAOEOGZSA-N	301.143	3.643	50	40	DHGB	
O=C(CCl)N1N=C(c2ccsc2)C[C@H]1c1cccc(F)c1	97165850	ASDIWABPFNDXQX-AWEZNQCLSA-N	322.792	3.804	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc2ccccc2cc1O	102126553	FHDFNOYOFXNWQI-HCKPZDKTSA-N	308.381	3.697	50	40	DHGB	
C[C@H]1CCC2=C(c3ccccc3)NC(=C(C#N)C#N)C(C#N)=C2C1	102413680	BOESPVJHXGDSIO-ZDUSSCGKSA-N	312.376	3.942	50	40	DHGB	
COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)Cl)cc2)cc1	218727867	JXWGLFGDXYZAHK-NYYWCZLTSA-N	316.740	3.693	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1O	59059	WSKAPSLPKLTDPK-FYJGNVAPSA-N	318.376	3.547	50	40	DHGB	
CC(C)CO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1734249	ZLVMDWQCFMCCCO-HZMBPMFUSA-N	315.207	3.912	50	40	DHGB	in-vitro
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c(C)c1	6209815	VEHNTKSJLSVLNX-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(OC)c1	13633978	ZGYJQFBYKBGSIX-LCYFTJDESA-N	305.337	3.644	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1	40139597	QQXFAIMPCYXKBE-DSSNTAQOSA-N	312.413	3.687	50	40	DHGB	
COC(=O)c1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1	145265528	HISVZQXYOXLCJU-MHWRWJLKSA-N	323.348	3.555	50	40	DHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)cc1	259602	IPAUMSQKBXLIJN-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
O=C(COc1ccc2ccccc2c1)N/N=C/[C@@H]1CC=CCC1	369458	RNHTZJWYNHRSRR-OOWUWCJESA-N	308.381	3.677	50	40	DHGB	
N#CCCn1cc(C=C(C#N)C#N)c(-c2ccc(Cl)cc2)n1	3188092	VTNMQLYRWGUHCW-UHFFFAOYSA-N	307.744	3.548	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1	5906851	CAPGHIYBZUUOPA-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1O	258402	IHXAAMQWTNXLOE-XNTDXEJSSA-N	322.364	3.645	50	40	DHGB	
Br[C@H]1[C@H]2C[C@H](c3ccccc32)[C@H]1Br	1727390	UGOBXGMGPCCRHH-DTIDVZRVSA-N	302.009	3.798	50	40	DHGB	
CC1CCN(c2ccc(NC(=O)CCl)cc2Cl)CC1	8701866	WAHIZTOPRMGQPE-UHFFFAOYSA-N	301.217	3.754	50	40	DHGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc[nH]2)cc1	36243696	SADCRQJOKMCNEX-HEXNSGTLSA-N	309.413	3.566	50	40	DHGB	
COC(=O)c1ccccc1/N=C\C(Cl)(Cl)[C@H](C)Cl	104256099	HNDRMZUSYBMBML-RBYRDDOMSA-N	308.592	3.977	50	40	DHGB	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc2O1	408710638	BEDAYYLAOUILTL-LFIBNONCSA-N	318.376	3.946	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1O	368470	ZXCYRPKPCNYDOB-OQLLNIDSSA-N	322.364	3.563	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1	587498	DTNGWFIXROFJLW-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
COc1c(C)cc(Pc2cc(C)c(OC)c(C)c2)cc1C	2381435	VNKFDSUAELUAQZ-UHFFFAOYSA-N	302.354	3.567	50	40	DHGB	
NC(=O)N/N=C(\c1ccccc1)[C@H]1CCCCc2ccccc21	4962677	SBMOCHRKKYVNKP-SPGGGKMGSA-N	307.397	3.569	50	40	DHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1	35078841	TWGXDQAGKIRLOW-GFPWBYKUSA-N	304.340	3.567	50	40	DHGB	
Cn1cc(C(=O)N/N=C/c2ccccc2Cl)c2ccccc21	535118	UJMZTDUNPWDDEV-VXLYETTFSA-N	311.772	3.596	50	40	DHGB	
CCCCC1CCC(C(=O)NNC(=O)c2ccc(C)cc2)CC1	4599844	PFLNCFCIVSDKSE-UHFFFAOYSA-N	316.445	3.753	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	5547367	FGKOGWHQKWENHH-ZSOIEALJSA-N	309.281	3.876	50	40	DHGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccccc1	20248631	BYWYIOVNSYWNPK-WBFOAEISSA-N	312.438	3.849	50	40	DHGB	
CCOc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1	52410612	DTNKYMTTWBCNBL-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1C	223166430	HEIBMDHSBJEZOZ-YBEGLDIGSA-N	320.348	3.547	50	40	DHGB	
Nc1cccc(NP(=O)(c2ccccc2)c2ccccc2)c1	520116	AHXNNNMTPJXSPD-UHFFFAOYSA-N	308.321	3.610	50	40	DHGB	biogenic
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccsc2)cc1	3259049	WLVWHQUYMBXJNA-VCHYOVAHSA-N	316.426	3.575	50	40	DHGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccc(Cl)c1	13534340	MXIDQNWKRGBVRG-CQSZACIVSA-N	304.802	3.555	50	40	DHGB	
COc1cc(C(=O)OC(C)(C)C)ccc1CBr	34310111	LVXGMHSHXOJDAJ-UHFFFAOYSA-N	301.180	3.545	50	40	DHGB	
COc1ccc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1OC	40144650	ICRMJSBUTLTLPO-NTEUORMPSA-N	310.309	3.676	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C	223227973	LCFMTANOEUNQAG-INIZCTEOSA-N	315.461	3.546	50	40	DHGB	
CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NC	4739664	YDFSCBVNEMLWCS-QINSGFPZSA-N	308.381	3.672	50	40	DHGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139601	RLXAINFBPFDNKG-DXCDOMANSA-N	304.340	3.567	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1	44028771	XKRSIMUERWTRFJ-DHDCSXOGSA-N	321.332	3.604	50	40	DHGB	
Cn1c(/C(C#N)=C\c2cccc(F)c2)nnc1-c1ccccc1	58344364	JZDSWNNWPFBSCT-GDNBJRDFSA-N	304.328	3.685	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C(C)C)c(OC)cc1C	408810706	KIMJUCNGHCGFFJ-FSEGOYHTSA-N	314.429	3.949	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OC)c(C)c3)[nH]c2c1	409392686	RHLSRJWRNRXEJO-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	252856	TVWJDDCBTGOVNY-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1	1022524	BGZUOYDFOVFXLF-DTLUWHCESA-N	317.392	3.730	50	40	DHGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C2	4314811	PBZQZWBGJHLGKB-RDQOGUCLSA-N	315.373	3.527	50	40	DHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	4544413	XQDJINDYSLAXCR-PCKNOYNLSA-N	318.804	3.647	50	40	DHGB	
C[C@H](/C=N\NC(=O)N/N=C/[C@H](C)c1ccccc1)c1ccccc1	5531292	AWONZIXXDJSYGN-PUHZWVEESA-N	322.412	3.865	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1	5748302	CHELVSJFNKNJJM-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(F)cc1	6735991	DFUYWHFECHXGEY-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
O=C(Cc1cccs1)N/N=C/C(Cl)=C\c1ccccc1	34388332	WQMOWVGZKGIPPZ-KYHBMPLESA-N	304.802	3.673	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)cc1	72120188	DVYIDDBVXXIJMB-VBKFSLOCSA-N	307.349	3.884	50	40	DHGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1	108593221	SKWXZWHYOBVKBP-UNOMPAQXSA-N	314.772	3.669	50	40	DHGB	
Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccccc3)oc12	216855561	BVFCXEXNSQRXHU-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl	254114	AKIHURPMRQCCOG-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
COc1ccc(/C(C)=N/NC(=O)c2oc3ccccc3c2C)cc1	358613	BJNMCRYEHALGMO-DEDYPNTBSA-N	322.364	3.904	50	40	DHGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	485097	QGUIBYPMKHCLLR-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)o1	804875	CFELUWAVVNOUDO-UHFFFAOYSA-N	300.321	3.871	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1	1021093	JSIQPJZHTXDOBM-GIJQJNRQSA-N	323.179	3.523	50	40	DHGB	
CCOc1cc2c(cc1/C=C(\C#N)c1ccccn1)O[C@@H](C)C2	5068378	OHSSOIRRWIMZSG-WFSQQTBHSA-N	306.365	3.868	50	40	DHGB	
O=C(N/N=C\c1ccccc1F)c1ccc(Cl)cc1Cl	35227370	PHKPWDXNUOBZPB-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(=O)O)cc1C	223166714	XQANVAINFCKLAM-GDNBJRDFSA-N	320.348	3.547	50	40	DHGB	
C/C(=N/NC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1	231202	VMWHFEYYQDXBSW-NVMNQCDNSA-N	308.168	3.542	50	40	DHGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1	6545916	BAFHADBLYMUHRR-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	59921094	JAJCKIVTJIMZDY-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]	408540729	BEYOHFXVZRUEHQ-NVNXTCNLSA-N	308.293	3.666	50	40	DHGB	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1cccc(Cl)c1	408598954	LXQNVKGDECQTOT-ZSOIEALJSA-N	313.740	3.868	50	40	DHGB	
CC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409011391	GJNNJMFDODCIDX-GIJQJNRQSA-N	303.793	3.526	50	40	DHGB	
N#CSc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1	4761279	GABIKUSTAORNPA-UHFFFAOYSA-N	318.785	3.931	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	6539503	DQABRAFWARXMCK-FSHMZSNGSA-N	312.413	3.687	50	40	DHGB	
CCC/C(=N\NC(=O)COc1ccc(C)cc1)c1ccccc1	12403985	CQWGNEUKEFLBNX-CZIZESTLSA-N	310.397	3.694	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)NCCCc1ccccc1	409230565	ZLKYBDNYJJFUPF-LGMDPLHJSA-N	324.811	3.996	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	4524079	CTSYQOYNYPOCMD-QGMBQPNBSA-N	312.316	3.839	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C\[C@@H](C)c2ccccc2)c1C	13945601	ZGCNIKJQVLNNOB-GEYIUBJWSA-N	310.397	3.588	50	40	DHGB	
O=C(CSc1ccccc1)N/N=C/c1ccccc1Cl	59148292	UNEKHDSFWVUMLC-LICLKQGHSA-N	304.802	3.582	50	40	DHGB	
C[C@H]1Cc2ccccc2C2=C3CC=CC[C@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]21	104126981	ITRZKBPBLURWNH-QHWNQHOJSA-N	320.388	3.544	50	40	DHGB	
FCCO[C@H]1CC(F)(F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215670025	SADROALXJFTQPE-LYFYHCNISA-N	302.617	3.648	50	40	DHGB	
CO[C@@H](C(=O)N/N=C(\C)c1cc(C)ccc1C)c1ccccc1	408720244	WROOSMQFAABNMU-KETZHDHUSA-N	310.397	3.531	50	40	DHGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1	4502027	PQMRDMHFAUDQDK-NVNXTCNLSA-N	320.348	3.578	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1	20192447	ONXVBRXFDLULLG-VBKFSLOCSA-N	306.365	3.803	50	40	DHGB	
CCCOc1cc(NC(=O)CBr)cc2occc12	72207473	QVVUCYWTIXIJOG-UHFFFAOYSA-N	312.163	3.555	50	40	DHGB	
CCOC(=O)c1sc(SC)c2c1CCC(C=O)=C2Cl	4286283	TXOXAQYQQGMTRG-UHFFFAOYSA-N	316.831	3.742	50	40	DHGB	
O=C(CCCCl)Nc1ccccc1NC(=O)CCCCl	4628683	GJKPVMNTPOTXFT-UHFFFAOYSA-N	317.216	3.602	50	40	DHGB	
O=C(CBr)Nc1ccc(Oc2ccccc2)cc1	35604935	FSZPGUBKBFDUMK-UHFFFAOYSA-N	306.159	3.812	50	40	DHGB	
Cc1c(NC(=O)CCl)cccc1-c1nc2ccccc2o1	216858503	MMMCTZHZKCYYAR-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
C[C@H](/C=N\NC(=O)N/N=C/[C@@H](C)c1ccccc1)c1ccccc1	5531287	AWONZIXXDJSYGN-KRSAFGHESA-N	322.412	3.865	50	40	DHGB	
N#C/C(=C/c1ccoc1)C(=O)Nc1nc(-c2ccccc2)cs1	17055697	ZHXTWCQHMNGNHR-ZSOIEALJSA-N	321.361	3.949	50	40	DHGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1	45957727	KIHHJOLNBAQCNQ-SNVBAGLBSA-N	313.740	3.704	50	40	DHGB	
COc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1	5329222	XAMNPVQLTFPBOY-NVMNQCDNSA-N	323.179	3.766	50	40	DHGB	
CCOc1ccc(N[C@H](C)C(=O)N/N=C2\CCCC[C@@H]2C)cc1	15930933	OTUJSBCXCMHNQY-YKVUNADCSA-N	317.433	3.568	50	40	DHGB	
CC1(C)CC(O)=C/C(=N\NC(=O)C23CC4CC(CC(C4)C2)C3)C1	102956348	GGEWIIIWWHMEPC-HMMYKYKNSA-N	316.445	3.937	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c(C)c1	408795943	NRRPWQUYHOCFGQ-GXDHUFHOSA-N	309.369	3.508	50	40	DHGB	
CCn1cccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	408931789	QHJNHXNOYJRDIG-RQZCQDPDSA-N	310.184	3.579	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(OC)c1	16157367	SYZUDTOCABDAPD-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
COc1ccc(C(=O)CCCCCBr)cc1OC	34420237	FTBWBGSIRBQWHC-UHFFFAOYSA-N	315.207	3.842	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@H]1C[C@H]1c1ccccc1	5901709	UJUBDUJDGZGVGP-BKCJXNBFSA-N	308.425	3.718	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OC)c1	7156942	PNCGEXNAGSHASI-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1OCCCC#N	96188025	KKZZLFOVLCJVBA-FOWTUZBSSA-N	319.364	3.837	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1ccccc1	408781650	DPYAQLOGAXAWBM-XDJHFCHBSA-N	312.438	3.769	50	40	DHGB	
O=C(N/N=C/c1ccc(Br)s1)C1CCCCC1	358520	PRHRNNSUUOEIOJ-RIYZIHGNSA-N	315.236	3.541	50	40	DHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2s1	4357446	VNTHLBVCXHNABG-YRNVUSSQSA-N	323.333	3.974	50	40	DHGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1	5288251	ZVLGUDCKNWYLPF-RCCKNPSSSA-N	324.424	3.903	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1[C@H]2CCCC[C@H]12	103753518	LZEFTSFXJKGUHN-MZPKWHQFSA-N	311.212	3.880	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(F)cc2)cc1	409137051	ZQDMELMNSGKTGQ-XDHOZWIPSA-N	316.401	3.767	50	40	DHGB	
Cc1ccc(O[C@H](C)C(=O)NN=C/C=C/c2ccccc2)cc1	245241659	MGSQKWAXSVOLCT-WDQSCLPFSA-N	308.381	3.578	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)c(C)c1	5684052	VEBHSGXYFKPBGH-RLPGOOFBSA-N	306.409	3.947	50	40	DHGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F	7156565	RYSXNNZIRPJVFU-NTCAYCPXSA-N	322.339	3.936	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1	15219522	LUMQKSYMAHCNEM-DHDCSXOGSA-N	320.348	3.523	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2	102334501	JTXMUFJZYYCMDM-RGXGMPAISA-N	306.793	3.588	50	40	DHGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccco1	409368240	VHXPRSSWDMDIRY-UDWIEESQSA-N	322.364	3.984	50	40	DHGB	
Cn1c(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc2ccccc21	4032209	LDWDALMGKMEKLJ-JLHYYAGUSA-N	304.309	3.546	50	40	DHGB	
CC(C)(C)OC(=O)n1cc(CBr)c2cccnc21	142041052	SVLAMQBYOGQEPB-UHFFFAOYSA-N	311.179	3.714	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1	3167314	LOSOSWIPYUOYFM-GIJQJNRQSA-N	323.179	3.523	50	40	DHGB	
Cc1ccc(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)cc1C	6405009	YJCWMPBHDTULGU-WQRHYEAKSA-N	319.360	3.637	50	40	DHGB	
Cc1ccc(NC(=O)[C@@H](Cl)C(=O)c2ccccc2)cc1C	8550708	VKIKBVQFQHNACZ-HNNXBMFYSA-N	301.773	3.732	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2C)c1	408743116	URXANZKAGSJOSY-LFIBNONCSA-N	306.365	3.939	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	4306520	BMFXPTWLNORZHH-QEETYLAOSA-N	322.364	3.957	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1	5667258	NKMMQQKVPCQRMW-JKMYOGEHSA-N	306.409	3.893	50	40	DHGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC)c1	6209790	SCFNBVSRAJCSMB-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1C(C)(C)C	16323019	ICWNRZMCORIYDE-WOJGMQOQSA-N	306.406	3.851	50	40	DHGB	
CC(C)=NNC(=O)CSCc1c(Cl)cccc1Cl	409119490	SQABUCZWQYXAML-UHFFFAOYSA-N	305.230	3.739	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)cc1	370853	XVGLLPXFACOHRS-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
CCn1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	409065838	NTBILMSLKXMPRR-ODLFYWEKSA-N	309.369	3.635	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)c(C)c1	5684061	VEBHSGXYFKPBGH-SNXZXXCMSA-N	306.409	3.947	50	40	DHGB	
C/C(=N/NC(=O)c1cccs1)c1ccc(Br)cc1	33089280	BXAAJAFTEHABIV-DHDCSXOGSA-N	323.215	3.665	50	40	DHGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	408857374	MFQLFLIFFFMESA-NDENLUEZSA-N	322.364	3.984	50	40	DHGB	
Cn1cccc1C(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	4073089	XUGOLPNNMMFVOP-FMIVXFBMSA-N	304.271	3.834	50	40	DHGB	
Cc1cc(C)c(/C=N/NC(=O)c2ccc3ccccc3n2)c(C)c1	20926506	AQFWKVCSVOXHJL-CIAFOILYSA-N	317.392	3.924	50	40	DHGB	
CC(/C=C/c1ccccc1)=N/NC(=O)COc1cccc(C)c1C	4018518	VAIHGSBZOAQXQM-ZUZQRIQNSA-N	322.408	3.888	50	40	DHGB	
O=C(N/N=C/C#Cc1ccccc1)c1ccc(Cl)cc1Cl	4695790	FCLFGFVRFQZBLV-VXLYETTFSA-N	317.175	3.761	50	40	DHGB	
C[C@H]1Cc2ccccc2C2=C3CC=CC[C@@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]21	104126974	ITRZKBPBLURWNH-RSSPWDEJSA-N	320.388	3.544	50	40	DHGB	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1	210403556	UZMJXTVUWHRXQI-WJDWOHSUSA-N	306.365	3.803	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)o1	408799054	XSIXIKMBYCQXRK-YRNVUSSQSA-N	316.744	3.796	50	40	DHGB	
CC(C)=NNC(=O)CCCOc1ccc(Cl)cc1Cl	6317786	DKBXICIPUUUIPV-UHFFFAOYSA-N	303.189	3.664	50	40	DHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1O	15219927	UKCGAPJAIRVPFI-GDNBJRDFSA-N	322.364	3.645	50	40	DHGB	
C=CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C	34835248	VRFFKRADDCQLIO-PDGQHHTCSA-N	319.408	3.612	50	40	DHGB	
CN(/C=C(\C#N)C(=O)Nc1ccccc1)c1cccc(Cl)c1	57414080	HDGMDJYYNCYBFO-OUKQBFOZSA-N	311.772	3.822	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2)cc1	205577418	BNKRRINDEQJSCW-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(C)cc1	20248552	YYFASHPYKNBDGL-XDJHFCHBSA-N	312.438	3.769	50	40	DHGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@H]4C=CC[C@H]34)cc2C1	48261520	SNZHWWZLMIUGKD-MYTMMKDGSA-N	314.454	3.945	50	40	DHGB	
CCCCCCCCOCCOCCOCCOCCCl	100069933	JPHPWKANTDRCSZ-UHFFFAOYSA-N	324.889	3.652	50	40	DHGB	
C[C@H]1C[C@@H](c2cccnc2)N(C(=O)C2CCC(Cl)CC2)C1	1528101660	ZJNHHJIESZDZOT-QTISTPMNSA-N	306.837	3.789	50	40	DHGB	
Cc1cc(C)c(/C=C/C(=N/NC(N)=O)c2cccs2)c(C)c1	42507	DWIKODXJMDZUME-OMCULKSOSA-N	313.426	3.759	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@H]2CC[C@@H]1C2	5893498	KJMOKWHQHZDVGZ-HDCMOEBQSA-N	306.793	3.588	50	40	DHGB	
C[C@@H](Br)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1	95921730	WCOJGOGSLIIZFN-SECBINFHSA-N	313.191	3.604	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1Br	100505744	FHVGJKHYXYNWHN-ZUBUPENXSA-N	321.218	3.601	50	40	DHGB	
O=C(Cl)Oc1cc(Br)ccc1Br	2362803620	QSBVFVZOQIUJPY-UHFFFAOYSA-N	314.360	3.949	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1	1398745	AYODXGUHXLQXGL-XSFVSMFZSA-N	303.365	3.550	50	40	DHGB	
Cn1cc(C(=O)N/N=C\c2ccc(Cl)cc2)c2ccccc21	33322739	LPROGYNPKMEEAQ-GRSHGNNSSA-N	311.772	3.596	50	40	DHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1nc(Cl)ccc1Cl	103030614	FYSOULUFWLZSSP-UHFFFAOYSA-N	313.096	3.516	50	40	DHGB	
CCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C	223222416	SBLZMHQYUWUVOU-GOEBONIOSA-N	317.477	3.554	50	40	DHGB	
CO[C@H]1CC[C@@H]2CCN3CCC(CCl)=C(CCCl)[C@@]23C1	4533083	SJVALRLGJXCADE-IJEWVQPXSA-N	318.288	3.814	50	40	DHGB	
O=C1OC(=O)c2ccccc2/C1=C\Nc1cccc2c1CCCC2	103271370	FMZDRAUIVMULFW-SFQUDFHCSA-N	319.360	3.715	50	40	DHGB	
Cc1ccc(/C(O)=C/C=N/NC(=O)c2ccc(Cl)cc2)cc1	107553968	WPAGBGWNCMPDQR-WJEOPBEZSA-N	314.772	3.963	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)c1	408746665	VEBHFXWRPZXNFY-YBEGLDIGSA-N	317.348	3.503	50	40	DHGB	
CS[C@H](C(=O)N1CCCCC1)[C@@H](Cl)c1ccc(F)cc1	5515293	KOVFDSWKLINJSP-KBPBESRZSA-N	315.841	3.850	50	40	DHGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2)o1	4903319	QMLWJZIWTZUJJJ-OZBKELIJSA-N	317.348	3.820	50	40	DHGB	
CCOc1cc2c(cc1/C=C(\C#N)c1ccccn1)O[C@H](C)C2	5068370	OHSSOIRRWIMZSG-BPKVKKHESA-N	306.365	3.868	50	40	DHGB	
O=C(CCl)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	4015664	SYXICIVFTSVUPC-UHFFFAOYSA-N	306.705	3.564	50	40	DHGB	
C[C@H]1C/C(=N\NC(=O)COc2cccc(F)c2)CC(C)(C)C1	4979178	AUHRTRFKTCVBHI-PGSLAOOBSA-N	306.381	3.523	50	40	DHGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)c1nc2ccccc2[nH]1	4993378	HTCYIZAAQZORMV-QBFSEMIESA-N	304.353	3.820	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1Cl	13137980	DHBMCQYHEXNGGD-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	15219686	GWPYOHSIRPTCFP-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1	24657200	CJDXQOMNSXHICA-FYWRMAATSA-N	321.380	3.816	50	40	DHGB	
Fc1cccc(P(c2cccc(F)c2)c2cccc(F)c2)c1	59796769	CUTRINLXFPIWQB-UHFFFAOYSA-N	316.262	3.862	50	40	DHGB	
CC(C)(C)OC(=O)N1CCC[C@@H](CCCBr)C1	39086123	UMRCMCAKFKYCQF-LLVKDONJSA-N	306.244	3.809	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1ccc(OCCCC(F)(F)F)cc1	96508976	DGWPEBZKFSLTFN-SECBINFHSA-N	309.715	3.974	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1	100006493	STWVLHHEKSOYEN-DOXHGZAWSA-N	313.357	3.613	50	40	DHGB	
BrCCCc1cc(Br)cc2c1OCC2	132390684	DLISPDUYUSOZMM-UHFFFAOYSA-N	320.024	3.712	50	40	DHGB	
CSc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	213082454	WURMLQMIMUNYRY-WJDWOHSUSA-N	308.406	3.632	50	40	DHGB	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1	409377512	HPYVPLOPDPPTQC-RAXLEYEMSA-N	310.378	3.660	50	40	DHGB	
CCC(CC)[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	181718	JVTISQKIQRWSGI-QGZVFWFLSA-N	322.412	3.787	50	40	DHGB	
CNc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl	5011948	OLJCOSFWIVRCND-OCKHKDLRSA-N	322.195	3.799	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccn1	17053274	QDRPFPRHDCBWEJ-PXLXIMEGSA-N	315.376	3.903	50	40	DHGB	
CCCC/C(=N\NC(=O)Cc1ccc(OC)cc1)c1ccccc1	20581839	RCSCJUGAUMEWOW-XUTLUUPISA-N	324.424	3.948	50	40	DHGB	
O=C(N/N=C\c1ccccc1C(F)(F)F)Nc1ccccc1	33285277	WUKKCOFCZAQPCD-GRSHGNNSSA-N	307.275	3.861	50	40	DHGB	
O=C(CCCC[C@H]1CCSS1)NCCc1nccs1	50773853	IXACZBGHRCWERM-NSHDSACASA-N	316.517	3.516	50	40	DHGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cccs1	59436943	IIZSOMNDFBIOND-PILJQMSFSA-N	304.440	3.769	50	40	DHGB	
CC(C)(C)c1ccc(C(=O)NN/C=C/C(=O)c2ccccc2)cc1	4714742	CYUWGCBQBIDQSR-BUHFOSPRSA-N	322.408	3.615	50	40	DHGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	57787495	VRWSZOVDMFINBM-DJKKODMXSA-N	318.163	3.629	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(C)cc1C	58652594	IHCZVSXVOVGULN-LTGZKZEYSA-N	309.413	3.564	50	40	DHGB	
C/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccccc1	408719622	ZTRMMBAUESESKH-WBFOAEISSA-N	312.438	3.902	50	40	DHGB	
C[C@@H](CCO)CC[C@@H](Br)C(C)(C)Br	1584790	BOMGTQQCFLBAGM-RKDXNWHRSA-N	316.077	3.722	50	40	DHGB	
C[C@H](Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1	3887351	LSRHPQSEFFYWNF-HNNXBMFYSA-N	301.817	3.885	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2ccccc2F)c(OC)c1OC	6145691	NRBJHOIFLCQMGL-RAXLEYEMSA-N	313.328	3.916	50	40	DHGB	
CCCCOC(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	96669589	DZAWVWVOYSXFJP-ZROIWOOFSA-N	316.357	3.968	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1Br	100505743	FHVGJKHYXYNWHN-KMWZGFTASA-N	321.218	3.601	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1C1CCCCC1	8056256	WCGRCOWMNDFWDN-LFIBNONCSA-N	311.429	3.796	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1	511990	JWSSBPRBLOPTKF-KGENOOAVSA-N	302.377	3.841	50	40	DHGB	
O=S(=O)(c1ccccc1)[C@@H](Br)c1ccccc1	6575589	XMXYHWSZLDVJQY-CYBMUJFWSA-N	311.200	3.554	50	40	DHGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)N(C)C)cc1	59334917	NZLWIVAONLBUGY-PDGQHHTCSA-N	320.392	3.569	50	40	DHGB	
C/C(=N\NC(=O)COc1ccc(C(C)C)cc1)c1ccccc1	516699	GEGWMINMUOYAAN-HMMYKYKNSA-N	310.397	3.729	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1	4815559	WFDRQCXVKKZUMD-YBFXNURJSA-N	300.789	3.975	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@H]2C[C@@H]1C[C@@H]2C(F)(F)F	4975578	JBSGHVMHMIFLDF-ITNVNJBWSA-N	324.346	3.556	50	40	DHGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	31672166	SLECXTABJPKQOK-UNOMPAQXSA-N	319.320	3.512	50	40	DHGB	
CCc1cc2c3c(c1)C(=C(C#N)C#N)C(=O)N3C(C)(C)C=C2C	539175	YJRCATQULWHFFF-UHFFFAOYSA-N	303.365	3.592	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)o1	2697305	NQWFTMAFWDXNHC-VCHYOVAHSA-N	320.776	3.549	50	40	DHGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc3ccccc3c2)c1	4746741	RJSOHFJZWOWTOR-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(Cl)c1O	9591364	OSZJYQSDZZGQHJ-XCVCLJGOSA-N	306.774	3.883	50	40	DHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	15219916	VPUJMCXHCOMFRI-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(O)ccc3[N+](=O)[O-])nc2c1	37342112	KXNOXTRQIHXVIM-KPKJPENVSA-N	320.308	3.549	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)s1	44965617	HDZGNIJXMQWOFF-RGVLZGJSSA-N	323.421	3.772	50	40	DHGB	
C[Si](C)(C)OC1=CCN(C(=O)OCc2ccccc2)CC1	169746517	SEQIAIADXKZAFN-UHFFFAOYSA-N	305.450	3.764	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1	409255579	MEZCAVOZFHMNOD-UDWIEESQSA-N	305.381	3.559	50	40	DHGB	
O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1ccc(CCl)cc1	152825	HXGROZSDCMOQGS-UHFFFAOYSA-N	309.680	3.692	50	40	DHGB	
N#C/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1Cl	1581905	OAZKBYJQYZLKST-XMHGGMMESA-N	318.163	3.651	50	40	DHGB	
CC1=C(C#N)C(c2ccccc2Br)C(C#N)=C(C)N1	19594362	ISVYMJFXQFHPCV-UHFFFAOYSA-N	314.186	3.731	50	40	DHGB	
COc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C(=O)Cl	45957622	ZLALFHCENGRNRL-UHFFFAOYSA-N	312.753	3.727	50	40	DHGB	
O=C(CBr)c1ccc(Cl)c(Br)c1	49925608	VWCVEOFSDAFTHO-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	277605	MUOIEZGQIWBYMP-VQHVLOKHSA-N	321.163	3.906	50	40	DHGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	7156238	IXAAOJZRAOXLTQ-NTCAYCPXSA-N	322.339	3.936	50	40	DHGB	
C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H]1CC[C@]2(O)C#N	70665789	WAYJZBKPYHUYKH-LGKHCZOZSA-N	311.425	3.693	50	40	DHGB	biogenic
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)cc1	212099467	SJAWAVVOZMHVBM-KAMYIIQDSA-N	324.405	3.963	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)c2ccccc2Br)c1	5619339	QQWWCYKVLRIRRN-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)o1	5952449	ALLLBGQUSJYMLD-QINSGFPZSA-N	323.396	3.980	50	40	DHGB	
ClCc1cnc(Oc2cccnc2Br)s1	43220370	JJCHLEQLNPARIV-UHFFFAOYSA-N	305.584	3.832	50	40	DHGB	
CC(C)Oc1cc(NC(=O)CBr)cc2occc12	72207474	MZXOHOGODJQLES-UHFFFAOYSA-N	312.163	3.553	50	40	DHGB	
N#C/C(C(=O)c1ccc(C#N)cc1)=C1/Nc2ccccc2S1	100812865	JYKZGQHFJUXASH-GHRIWEEISA-N	303.346	3.694	50	40	DHGB	
CCc1ccccc1NC(C#N)=C1C(=O)c2ccccc2C1=O	148183	XWHUMXHQJAEERV-UHFFFAOYSA-N	302.333	3.518	50	40	DHGB	
CCC/C(=N/NC(=O)C(O)(CCC)CCC)c1ccccc1	4812460	VNNARMNRHLQFIR-MNDPQUGUSA-N	304.434	3.638	50	40	DHGB	
NC(=O)N/N=C(\c1ccccc1)[C@@H]1CCCCc2ccccc21	4962676	SBMOCHRKKYVNKP-STIUTOJCSA-N	307.397	3.569	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	6367736	GQANQAHVQKDKTD-XSFVSMFZSA-N	303.365	3.550	50	40	DHGB	
COc1ccc(C)cc1/C(C)=N/NC(=O)Cc1ccc(C)cc1C	20195392	RYQHCQBEHCOWHW-LTGZKZEYSA-N	324.424	3.703	50	40	DHGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(N)=S	33707537	HAIRSYMTUPOFGE-NTEUORMPSA-N	312.369	3.598	50	40	DHGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C2	103610546	PBZQZWBGJHLGKB-ROSDMOQISA-N	315.373	3.527	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1	408745633	UMYRNRLPRFOTKT-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
CCCC/C(=N/NC(=O)Cc1ccc(OC)cc1)c1ccccc1	4591539	RCSCJUGAUMEWOW-VZCXRCSSSA-N	324.424	3.948	50	40	DHGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2cccs2)cc1	4869409	GJDSBUJTZBRMDJ-QGOAFFKASA-N	315.442	3.748	50	40	DHGB	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OC	12367912	BHILFAAGJQRUAE-UVTDQMKNSA-N	310.309	3.676	50	40	DHGB	
N#C/C(=C\c1ccccc1Cl)C(=O)NCc1cccs1	59534215	FGENIXKMSPGGHT-XYOKQWHBSA-N	302.786	3.625	50	40	DHGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Cl)c1O	408568846	XAPFDFLQURARFI-NSIKDUERSA-N	310.740	3.990	50	40	DHGB	
C[C@H](Br)C(=O)Nc1nc(-c2ccccc2)cs1	152395	FRNMHHFTUMOECO-QMMMGPOBSA-N	311.204	3.532	50	40	DHGB	
O=C(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1	4775438	DZIJJAQLJGKJCC-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
CCCCCC1=CCC/C1=N\NC(=O)c1ccc2c(c1)OCO2	6053443	ZEOJJRKAFFWEGH-XDJHFCHBSA-N	314.385	3.802	50	40	DHGB	
O=C(NN=C1CCCCCC1)c1ccc(Br)s1	8525255	CTQOHLPWAFQSHM-UHFFFAOYSA-N	315.236	3.951	50	40	DHGB	
N#CC(C#N)=Cc1ccccc1OC(=O)c1ccc(Cl)cc1	59399056	UGMAIWUGOPDUOA-UHFFFAOYSA-N	308.724	3.990	50	40	DHGB	
CCCC/C(C)=N\NC(=O)c1c(C)nc2ccc(Cl)cn12	59516187	FFEOUPZODJSRLE-ZDLGFXPLSA-N	306.797	3.592	50	40	DHGB	
CC(C)(C)c1ccc(NS(=O)(=O)CCCCCl)cc1	97163509	JDULGNIYXBSRTG-UHFFFAOYSA-N	303.855	3.745	50	40	DHGB	
CCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl	1673016	HYUAGSPNTMGCMN-MWLCHTKSSA-N	318.672	3.583	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(N(C)C)cc1	4972285	CBROYSPZMNALMV-PTNGSMBKSA-N	308.318	3.883	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)C12CC3CC(CC(C3)C1)C2	16137730	FPAPEQASBSKZKC-WAKQNMSFSA-N	300.446	3.741	50	40	DHGB	
Cc1cccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c1C	35558474	PURNOAIMNWBVSP-UHFFFAOYSA-N	310.378	3.594	50	40	DHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	408968175	UOOUFFUWNKSMII-WSDLNYQXSA-N	323.371	3.759	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccs2)cc1	409144813	GUTDARWQZSELDF-HMHNVIDESA-N	304.440	3.687	50	40	DHGB	
N#CC1=C(N)Oc2cc(C(F)(F)F)ccc2[C@@H]1c1ccccc1	500168	HULIAUWUMOWLDY-HNNXBMFYSA-N	316.282	3.924	50	40	DHGB	
CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cl	5437473	OPXOICRRWXTCBZ-UGFHNGPFSA-N	309.837	3.640	50	40	DHGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1	5535116	HFRZDXBBAMFPRO-CIAFOILYSA-N	324.424	3.956	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1	5750531	MPAQGXZAEWOITE-RVDMUPIBSA-N	322.364	3.558	50	40	DHGB	
COCCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	51042301	HPMQNZJBZHBHQH-RVDMUPIBSA-N	319.364	3.652	50	40	DHGB	
CC(C)(CCCO)CNC(=O)CCCC[C@@H]1CCSS1	95459350	NMLPJASFMWLLDH-CYBMUJFWSA-N	319.536	3.615	50	40	DHGB	
CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)C1CCN2CC1	100329780	SVILZIUZTXHPRZ-INIZCTEOSA-N	311.816	3.762	50	40	DHGB	
O=C(CCl)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1	216856750	RVDSGBBXYMOJQM-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cccs1	567462	CVUQSIACQQRSNH-GIDUJCDVSA-N	315.181	3.524	50	40	DHGB	
Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)CCl)C1(C)C	2108910	FJCXJKCVNRMCRS-CXAGYDPISA-N	318.848	3.961	50	40	DHGB	biogenic
Cc1ccccc1/C=N\NC(=O)c1sccc1-n1cccc1	12955493	KAQINKCPXPNBQU-PDGQHHTCSA-N	309.394	3.611	50	40	DHGB	
C/C(CC(C)(C)N1CC1)=N\NC(=O)Nc1cccc2ccccc12	17380645	DSMKQBURCDVYOU-KGENOOAVSA-N	324.428	3.822	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1	20933265	XNQFKONETUMZRF-VCHYOVAHSA-N	314.728	3.957	50	40	DHGB	
CCOC(=O)/C(C#N)=C\Nc1cccc(Cl)c1C(F)(F)F	100205471	GTEDUIYREZVGDS-FPLPWBNLSA-N	318.682	3.741	50	40	DHGB	
CC(=O)[P@]1(=O)c2ccccc2Nc2cc3ccccc3cc21	408720707	XFGMBZZWUPRIPJ-QFIPXVFZSA-N	307.289	3.757	50	40	DHGB	
C=C[P@@](=O)(OCC)[C@@](O)(CBr)c1ccccc1	547305	DHBSATWBYONGPH-YVEFUNNKSA-N	319.135	3.685	50	40	DHGB	
O=C(Cl)/C=C(/c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	17162041	UQTJNYJQEYEOIN-SYCZXOQXSA-N	301.729	3.853	50	40	DHGB	
O=C(CCl)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1	216854677	KILIJEJWSOEWRD-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc(F)c2)cc1	409122920	CVZPNJFZPLEZNB-MDBUFAAASA-N	316.401	3.765	50	40	DHGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccco1	1476958	FKDIKPKDJJFLOR-DEDYPNTBSA-N	320.348	3.623	50	40	DHGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1	3182208	LDPUMZVBKCFNFV-UHFFFAOYSA-N	308.724	3.990	50	40	DHGB	
N#C/C(=C/C=C/c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1	5908749	NCBUBVAEPBALGP-KFHPBGSASA-N	306.281	3.684	50	40	DHGB	
Cc1nn2c(O)cc(CCl)nc2c1-c1ccc(Cl)cc1	35326024	UARZPQXJUPBBAV-UHFFFAOYSA-N	308.168	3.803	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	15219919	FAIOKYKPSUIHIX-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
COc1ccc(C(=O)N/N=C2\C=C(C)CC(C)(C)C2)cc1OC	36234929	GZGKMXXCWDUSGD-XMHGGMMESA-N	316.401	3.556	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1	3081618	AVMRUIUDTIHCLR-XSFVSMFZSA-N	310.397	3.938	50	40	DHGB	
O=C(N/N=C/CCc1ccccc1)c1cc2ccccc2cc1O	5682385	DYURQUSBQQPEEI-CIAFOILYSA-N	318.376	3.894	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OC)c1	67190157	XTLBAVHEOHZNJU-LFIBNONCSA-N	306.365	3.803	50	40	DHGB	
C[C@H](/C=N/NC(=O)COc1ccccc1Cl)c1ccccc1	4702449	CUZJBLTVTOUFRW-OTGIAGGSSA-N	316.788	3.625	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F	6342248	VLEYPDBXFDNYPW-SDNWHVSQSA-N	310.328	3.770	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1sccc1C	6504894	ABRWMBBYZFXADU-YBFXNURJSA-N	324.405	3.982	50	40	DHGB	
Oc1c(Br)cc(Cl)cc1CBr	59811983	RBMMSHIWVRKERI-UHFFFAOYSA-N	300.377	3.703	50	40	DHGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccccc2)c2ccccc21	408816523	UBMLTCDRNGQPOA-KGENOOAVSA-N	317.392	3.900	50	40	DHGB	
CC(C)(CCl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	3104438	CPIGEDRRVFEFFH-UHFFFAOYSA-N	301.642	3.586	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(Cl)c1	4815521	VCNVPHNYBMSNMD-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
COc1cccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)c1	5621158	AOPGFJZCOPDOCA-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
Cc1ccc(OCCC(=O)NNc2ccc(Cl)cc2)cc1	7814211	DLDFSTQKMUVJFG-UHFFFAOYSA-N	304.777	3.561	50	40	DHGB	
CC1=C(C#N)C(c2c(O)ccc3ccccc23)C(C#N)=C(C)N1	19594381	CJAQNLVLHDCUBS-UHFFFAOYSA-N	301.349	3.827	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	20177231	QKWNWGDFOXHJNX-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(C)c2)c1	408743577	BFGWHVZIPYBIPV-WJDWOHSUSA-N	306.365	3.939	50	40	DHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1F	5362381	LFQVYPXZRTXVPT-MDBUFAAASA-N	316.401	3.598	50	40	DHGB	
O=C(CSCc1ccccc1)N/N=C/c1c[nH]c2ccccc12	18192274	DYWJZANVKNQYKU-RGVLZGJSSA-N	323.421	3.551	50	40	DHGB	
CC(C)=NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	32578434	PKPXADGYGORWJX-UHFFFAOYSA-N	311.750	3.589	50	40	DHGB	
Cc1cccc(N[C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)c1	370606	NWYNSTNLTSEZCL-OTGIAGGSSA-N	315.804	3.599	50	40	DHGB	
C[C@@H]1CCCN(CP(=O)(c2ccccc2)c2ccccc2)C1	1735427	DXJILMRWUVSOTI-QGZVFWFLSA-N	313.381	3.690	50	40	DHGB	in-vitro
Cc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	5380242	BXLXWMDAVCXSGE-IYSPOMMRSA-N	312.438	3.767	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc(O)c1	5604961	WDEJWCDAKCKFCX-GOSISDBHSA-N	314.344	3.764	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)c(C)c1	20194416	KFUGBQIWKAOXLF-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
CC(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208247777	YNOMDGXRMKTPKT-NTOSSWPYSA-N	307.825	3.532	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)Cc1ccccc1	408737640	FNDMEPBXEXLJKW-HMMYKYKNSA-N	310.397	3.558	50	40	DHGB	
N#Cc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409021919	AESDFFWDHDZOGG-JMIUGGIZSA-N	323.739	3.722	50	40	DHGB	
O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1ccccc1	3151110	UEYTUFVBUDFKOS-ZENFSQMBSA-N	314.772	3.582	50	40	DHGB	
CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@@H]2c1cccs1	4619601	AKJIBQIWSOMKBZ-CYBMUJFWSA-N	316.451	3.743	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1	209882347	OXJCVZPLNKGZGG-YFHOEESVSA-N	318.785	3.956	50	40	DHGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	211326822	ZYDCJKXHYBBHLL-GHRIWEEISA-N	316.360	3.553	50	40	DHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)n1	408976239	FAEFEENWVBIBFR-XNTDXEJSSA-N	317.348	3.606	50	40	DHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2o1	380954	SYWJVRFLUWEOAJ-RGVLZGJSSA-N	303.321	3.678	50	40	DHGB	
CCOC(=O)N/N=C/c1c(-c2ccccc2)n(C)c2ccccc12	5294610	UBENFKFGNIBBEU-DEDYPNTBSA-N	321.380	3.925	50	40	DHGB	
CC(C)(C)OC(=O)N/N=C/c1ccc(N2CCCCC2)s1	7947164	CRDMYOUOPLENNR-LFIBNONCSA-N	309.435	3.597	50	40	DHGB	
CN1/C(=C(\C#N)C(=O)c2cccc(Cl)c2)Nc2ccccc21	11617370	SPKAILSTABEOIK-GHRIWEEISA-N	309.756	3.820	50	40	DHGB	
COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)C#N	104044985	JLKBXDGMZFCRPY-CXQPBAHBSA-N	311.425	3.806	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-]	408565848	BJXCBPRRPBSGDH-SDQBBNPISA-N	322.299	3.983	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)C12CC3CC(CC(C3)C1)C2	4975530	FPAPEQASBSKZKC-XVKJKWHUSA-N	300.446	3.741	50	40	DHGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccs1	4575830	MXNIYWMSZUJJOD-CPNJWEJPSA-N	308.406	3.984	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(C)\C=C\c2ccccc2)cc1	12403863	MJRLBOMTEUGTTK-GXZXSNFWSA-N	308.381	3.904	50	40	DHGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(N)=O)cc2)c(C)c1	408989832	MGSOEGXWUZMFTN-LICLKQGHSA-N	320.392	3.583	50	40	DHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc2ccccc2c1	59697	WAJJOAYDCPWIEH-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cc2ccccc2o1	573907	PAIRGKYSTOYFQA-DJKKODMXSA-N	316.719	3.989	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCCc1ccccc1	2769752	FVGPYYQKSWBJLC-FOWTUZBSSA-N	310.784	3.606	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccs1	44062762	MJNIIEZYZANPAA-VCHYOVAHSA-N	314.341	3.911	50	40	DHGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(N)=S)o2)cc1	408543347	OFPKRLQDLVDHNV-FLIBITNWSA-N	300.408	3.932	50	40	DHGB	
N#CC1=C(SCCc2ccccc2)NC(=O)C[C@H]1c1ccco1	409130643	XACKZKBBIRXAQZ-CQSZACIVSA-N	324.405	3.594	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)CNc2cccc(C)c2)cc1	59177	PBRHTAGUZKPJQP-RCCKNPSSSA-N	309.413	3.510	50	40	DHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	16408744	FJBDFRWHYKDIJQ-NTCAYCPXSA-N	322.339	3.936	50	40	DHGB	
Cc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19818645	WIENPEIVMXUIDJ-WMZOPIPTSA-N	314.392	3.589	50	40	DHGB	
C[C@@H](C(=O)NCCCl)c1ccc(-c2ccccc2)c(F)c1	68605447	HHJCLDWGIONVFE-GFCCVEGCSA-N	305.780	3.951	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1	408753514	NCOGWNYEGYGDCT-SRZZPIQSSA-N	320.314	3.707	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2cccc(C)c2)C1	182603	GDRBYLYGDWJMBB-IGGDJGDASA-N	312.413	3.778	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	12367903	NVGDUIGLWVUGCD-ZROIWOOFSA-N	310.309	3.676	50	40	DHGB	
C[C@@H](Br)C(=O)c1cc(Br)ccc1F	71790233	IDLKFIBLUABZAO-RXMQYKEDSA-N	309.960	3.554	50	40	DHGB	
CCn1c(C)cc(/C=N/NC(=O)c2cccc(Cl)c2)c1C	409098003	JUMFNXZIJMCQIW-VCHYOVAHSA-N	303.793	3.542	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cccs3)cc2c1	409188469	ZMQFGKYZJMUNLR-YVLHZVERSA-N	314.366	3.657	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@@H]2C)o1	548660	BMFXPTWLNORZHH-YOMTVTAXSA-N	322.364	3.957	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1	4200408	FGYFDVYWLZQBIL-LLVKDONJSA-N	305.809	3.736	50	40	DHGB	
CCc1cccc2c(/C=C(\C#N)C(=O)Nc3nccs3)c[nH]c12	7166906	IIPJBKWVVMKNBA-XYOKQWHBSA-N	322.393	3.732	50	40	DHGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccccc2)on1	53779026	YEWPXCMIIDHLCW-ADCWSOHQSA-N	317.348	3.771	50	40	DHGB	
N#CSCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1	216856963	AMTGLXFPQDWWIB-UHFFFAOYSA-N	309.350	3.648	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)c1	408985437	LZZSSNLPPLHZAB-OVCLIPMQSA-N	320.348	3.578	50	40	DHGB	
CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1	9015515	PAPBFOZDAHVCDY-MRVPVSSYSA-N	313.209	3.695	50	40	DHGB	
N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1ccccc1F	408811524	NVMINLAFIYGBKF-YRNVUSSQSA-N	316.719	3.730	50	40	DHGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1	258426	LQBPKTPPFWJBCT-LFIBNONCSA-N	312.413	3.687	50	40	DHGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccccc1F	372580	SLRJFJOWBSSDHP-FMIVXFBMSA-N	305.312	3.853	50	40	DHGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NCc1cccs1	4592862	KWDIPPQLRDRSFP-LRHSVYTJSA-N	308.406	3.918	50	40	DHGB	
C[C@H](NCC(C)(C)CCl)c1ccc(N2CCCC2=O)cc1	95450149	IIUGUWPPFJIFAK-ZDUSSCGKSA-N	308.853	3.729	50	40	DHGB	
CN1C[C@@H](Cl)CN=C(c2ccccc2F)c2ccccc21	138119004	DKQGKJGCWMAVBF-LBPRGKRZSA-N	302.780	3.720	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	255368239	JVIPNJHCBOEYJO-CCRNYGKSSA-N	321.424	3.909	50	40	DHGB	
CC(C)(C)[Si](C)(C)OC(=O)N(CCCl)CCCl	195782838	FHXRCKHEOUVAIW-UHFFFAOYSA-N	300.302	3.908	50	40	DHGB	
Fc1cc(Br)c(F)c(F)c1CBr	2243330	DNOPMSNOGDLGFF-UHFFFAOYSA-N	303.903	3.761	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C/c2ccccc2Cl)cc1	3071764	ITQLPWMMDVPPIO-XDHOZWIPSA-N	300.789	3.595	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1C1CCCCC1	8018894	BFMKXKNOAZHUCX-XDHOZWIPSA-N	313.401	3.967	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccc(Cl)cc2)c1	31841460	GOJYRGTXBLLQHS-LPXFMOJISA-N	316.788	3.566	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	547433	NFKRXWIFCJYOAQ-CQSZACIVSA-N	313.788	3.971	50	40	DHGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3o2)cc1	5025630	QSEAQDXDMRQSLO-GXDHUFHOSA-N	304.305	3.679	50	40	DHGB	
CCCCCCC(=O)N/N=C/c1ccc(Br)s1	5460595	QPMADYZKZSAGQR-NTEUORMPSA-N	317.252	3.931	50	40	DHGB	
C/C(=N/NC(=O)COc1ccc(C)cc1)c1ccc(Cl)cc1	12461724	JHACNVTTZKEXLJ-UYRXBGFRSA-N	316.788	3.568	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)c1ccc(F)cc1	2166477	XKRDMBSTPXHKLN-DEDYPNTBSA-N	314.360	3.769	50	40	DHGB	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)N1CCCc2ccccc21	3187690	IGXBJSBRFGQLGF-XNTDXEJSSA-N	324.330	3.851	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)cc1	32192928	WPIRCDVHSOKYHY-QINSGFPZSA-N	321.380	3.734	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1	100006492	STWVLHHEKSOYEN-WMQDPJMESA-N	313.357	3.613	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)Cc1cccc2ccccc12	238202	DDBPIORFPCHGEV-XDHOZWIPSA-N	308.406	3.903	50	40	DHGB	
CCCSC1=C(C#N)[C@H](c2ccc(OCC)cc2)CC(=O)N1	8994459	NHBYWRHMLLBMPF-AWEZNQCLSA-N	316.426	3.567	50	40	DHGB	
O=C(CSCc1ccccc1)N/N=C/c1ccccc1Cl	20248692	XEHOQDOEWUCNDB-VCHYOVAHSA-N	318.829	3.724	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1	59513544	AMJCOERLDBYIGM-DEDYPNTBSA-N	314.816	3.985	50	40	DHGB	
C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1	5620673	NJZJCQVOQMKKDL-WQRHYEAKSA-N	302.443	3.805	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1Br)c1cccs1	5621179	SQWZUTSVUZFVEM-OQLLNIDSSA-N	323.215	3.665	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	58871449	IRWVYPQXDPTDEB-LTGZKZEYSA-N	324.424	3.948	50	40	DHGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1	408782995	LSAPMBDNCRTIDR-WQRHYEAKSA-N	321.424	3.834	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	5380247	BXLXWMDAVCXSGE-UZUMKDMXSA-N	312.438	3.767	50	40	DHGB	
Cc1cc(Cl)ccc1OCCCC(=O)NN=C1CCCC1	6270423	SZNMKLJREVNMOP-UHFFFAOYSA-N	308.809	3.854	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C	223228239	QBRXDODRIDHWQY-INIZCTEOSA-N	315.461	3.546	50	40	DHGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	409374721	XMGIOOYJWUWFIY-GXDHUFHOSA-N	303.321	3.552	50	40	DHGB	
CCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1	9089368	KSBSGENYFOMWHT-CQSZACIVSA-N	300.427	3.902	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1	15219804	LPHGOUHVHDSXTB-VBKFSLOCSA-N	305.381	3.607	50	40	DHGB	
COC1(C)c2ccccc2P(c2ccccc2)c2ccccc21	96171612	GVMQXVFFEFSAKR-UHFFFAOYSA-N	318.356	3.668	50	40	DHGB	
O=C(Cl)[C@@H]1CC=C2c3ccccc3CC[C@H]2[C@H]1C(=O)Cl	104076345	WWHIZRHALFOKFV-MGPQQGTHSA-N	309.192	3.799	50	40	DHGB	
COc1cc(C(=O)CCCCBr)cc(F)c1F	575358092	JEUBRWIDXDELTK-UHFFFAOYSA-N	307.134	3.721	50	40	DHGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	4117781	XHVHZMCNVBXSAM-UHFFFAOYSA-N	307.309	3.505	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1F)c1cccc(OC(C)C)c1	17052716	YWNRYEQLXBTWMY-DEDYPNTBSA-N	314.360	3.767	50	40	DHGB	
O=C(CSCc1ccccc1)N/N=C/c1cccc(Cl)c1	20248764	IXNYPLWLNBYAEM-VCHYOVAHSA-N	318.829	3.724	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1	408570433	VAEKWUWMHQMLQY-GHXNOFRVSA-N	323.327	3.783	50	40	DHGB	
CC(C)COc1ccc(C(=O)N/N=C/C=C/c2ccco2)cc1	2754636	QDPSCCAOKYWPRS-GRKKMJAJSA-N	312.369	3.743	50	40	DHGB	
COc1cc(C)c(/C=C(/C#N)C(=O)NC(C)C)cc1C(C)C	408781029	QDCCOVZMIAAVEO-NVNXTCNLSA-N	300.402	3.559	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccco3)C2)cc1	3887479	FEAFLXHCENKXOH-CQSZACIVSA-N	302.761	3.505	50	40	DHGB	
COc1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1OC	20284767	UEVULMUZXLZTPN-UHFFFAOYSA-N	307.777	3.533	50	40	DHGB	
C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)C2CCC(Cl)CC2)C1	1528101661	ZJNHHJIESZDZOT-XCAIRMDXSA-N	306.837	3.789	50	40	DHGB	
ClCCN(CCCl)c1ccc(/C=C\c2ccncn2)cc1	4821849	PMPAHJKNTIDFHW-RJRFIUFISA-N	322.239	3.931	50	40	DHGB	
Cl[C@H]1CC[C@H](Cl)[C@H]2CC[C@@H](Cl)[C@@H]3CC[C@@H]1[S@@+]32	5179533	HLAFGOGRNLAIKM-DTEONULXSA-N	300.702	3.914	50	40	DHGB	
CCOC(=O)N(/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OCC	100350118	DZXVJZZRYADWSG-FIWZSLJUSA-N	310.394	3.804	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C)cc1	6947581	RNYQLSFBBRNDDJ-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1C	7164306	BJXBUCGICCKIAW-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1	15221304	PVITVAVLXUKEFR-LVDSTPADSA-N	314.429	3.752	50	40	DHGB	
O=C(Cl)c1ccc(CBr)c(C(F)(F)F)c1	19615406	KDBGNVBIKFJPKS-UHFFFAOYSA-N	301.489	3.979	50	40	DHGB	
COc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	40012048	ZGMWYJARSRDKFO-UHFFFAOYSA-N	319.364	3.573	50	40	DHGB	
CCc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1	40889431	MVARYRXSNLUIPM-RGEXLXHISA-N	304.393	3.515	50	40	DHGB	
C[C@H](OO)[C@H]1CCCCN1c1cccc(Br)c1	675082276	QIPZCEDQPXMBHL-GXFFZTMASA-N	300.196	3.686	50	40	DHGB	
Cn1cc(/C=C(\C#N)C(=O)OC2CCCCC2)c2ccccc21	502201	MILGXJYYUGEUON-SDNWHVSQSA-N	308.381	3.961	50	40	DHGB	
CCOc1ccccc1N/C=C(\C#N)c1nc2ccccc2n1C	6294577	XHYJRJMAYWZGIJ-BUHFOSPRSA-N	318.380	3.949	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])C1	12403689	OEDXRDCKAVHCBS-BWVAZPDUSA-N	313.357	3.613	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1C	255429939	IQEGDIBARIZQRR-WJDWOHSUSA-N	323.396	3.679	50	40	DHGB	
CCn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21	561432	QGXVSWSDYNQGAG-KGENOOAVSA-N	319.408	3.744	50	40	DHGB	
O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(F)cc1	9086984	NBZODLSAFMVNPA-UHFFFAOYSA-N	312.256	3.501	50	40	DHGB	
N#C/C(=C/c1ccncc1)C(=O)Nc1cccc(Cl)c1Cl	15228237	OFAGIECFKIKHJC-FLIBITNWSA-N	318.163	3.934	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2cccc(C)c2)C1	182595	GDRBYLYGDWJMBB-RJCBAWPRSA-N	312.413	3.778	50	40	DHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccco1	8043512	FONZRXMHTPIMNX-XDHOZWIPSA-N	308.337	3.595	50	40	DHGB	
Cc1cccc(C(=O)[C@@H](Br)CBr)c1C	307083054	QLLFWHMPDORYOS-JTQLQIEISA-N	320.024	3.645	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccccc2)c([N+](=O)[O-])cc1OC	409365613	QYONXAWPVSTTBT-RIYZIHGNSA-N	310.309	3.676	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2OC)s1	2754113	FODNCCNCRANNSY-RQZCQDPDSA-N	322.817	3.736	50	40	DHGB	
COc1ccc(Cl)cc1C(=O)N/N=C/C=C/c1ccccc1	6245283	LFYCGWYLDBJZBS-CEGJKDKLSA-N	314.772	3.778	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@@H](c3cccs3)C2)cc1	36393654	SQOLGWRATCPARV-CQSZACIVSA-N	318.829	3.973	50	40	DHGB	
N#CSCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1	216855338	VTSJLMPTDUXVIG-UHFFFAOYSA-N	309.350	3.648	50	40	DHGB	
N#CCCN(C(=O)/C(C#N)=C/c1cccs1)c1ccccc1	2360652	JKYIKKIMBYTAIP-WYMLVPIESA-N	307.378	3.602	50	40	DHGB	
O=C(COc1ccc2ccccc2c1)N/N=C/C=C/c1ccco1	3139832	ZUEVTAWYULLFGN-UQONHYHASA-N	320.348	3.627	50	40	DHGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1	13842608	HPUBMVFKYOGHHV-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
Cc1ccccc1P(=O)(c1ccccc1)c1ccccc1C	95570278	RIFDDCWIRXSCIL-UHFFFAOYSA-N	306.345	3.943	50	40	DHGB	
N#CC(NC(=O)c1ccccc1C(F)(F)F)=C(Cl)Cl	96346128	SHWNADITAZWHLO-UHFFFAOYSA-N	309.074	3.605	50	40	DHGB	
O=C(Cl)c1cc(Br)cc(C(F)(F)F)c1F	575689862	IYPXGBKBJPQWFG-UHFFFAOYSA-N	305.452	3.986	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1C	368455	UYZRKJXHIFBYHE-OQLLNIDSSA-N	321.336	3.757	50	40	DHGB	
Cc1ccc[n+](Cc2ccc(N(CCCl)CCCl)cc2)c1	1615554	MICCTTUZZAUQFY-UHFFFAOYSA-N	324.275	3.615	50	40	DHGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1	19849642	MPAQGIFPQORSKD-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccccc3)c[nH]c12	44902567	LDWFPBHUMWOVLU-JLHYYAGUSA-N	317.348	3.722	50	40	DHGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccccc2F)cc1	59473015	NCIVASSMRBFWNL-VXLYETTFSA-N	316.401	3.518	50	40	DHGB	
CC(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	208247740	YNOMDGXRMKTPKT-SVXRXWARSA-N	307.825	3.532	50	40	DHGB	
CC(C)OC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1	278952	OCALWJIIQWCNFG-UHFFFAOYSA-N	306.321	3.942	50	40	DHGB	
CC/C(C)=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	4520503	KJVUUKRIXROCOT-ISPGYRLHSA-N	306.409	3.895	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1OC	44028140	BSSYJLUNHHFDLL-RIYZIHGNSA-N	313.378	3.945	50	40	DHGB	
C[C@@H]1Cc2ccccc2C2=C3CC=CC[C@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]21	104126977	ITRZKBPBLURWNH-FTTBKBHNSA-N	320.388	3.544	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1	408736877	BBSIHCORPHUSJK-RCCKNPSSSA-N	324.424	3.867	50	40	DHGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(N)=O	69416	SHHZMUBMTDZOKM-YVMONPNESA-N	307.136	3.646	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@H]2C)cc1	501791	CLSZALQGDDDUFT-PVGUKEHMSA-N	306.365	3.575	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OC	6155457	BXIIXWCTZSMRQL-YBEGLDIGSA-N	323.348	3.856	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	34776888	IWFJDRBPAPGPPO-JTQLQIEISA-N	301.217	3.896	50	40	DHGB	
Cc1ccccc1-c1nc2ccc(NC(=O)CCl)cc2o1	216856312	ZYNGBJIWNFPCDY-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccs1	131822	VMGKHCBQQCETDU-HCZVKUGISA-N	323.421	3.852	50	40	DHGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccccc1O	4505841	SVNSWMAEPQVHSH-MAVSYLMJSA-N	306.365	3.768	50	40	DHGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C2	5296077	FMNLLNYWLXWVQC-AXDVYOKHSA-N	315.373	3.527	50	40	DHGB	
CCc1ccc(/C(C)=N\NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	13325272	NKMMQQKVPCQRMW-OVYLHQNISA-N	306.409	3.893	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1C(C)(C)C	409190405	YNJOKXQOLRCIJQ-WJDWOHSUSA-N	313.445	3.826	50	40	DHGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c1	409362760	KBNOPSNFJCKDGV-CIAFOILYSA-N	319.408	3.786	50	40	DHGB	
O=S(=O)(c1ccccc1)[C@H](Br)c1ccccc1	1733323	XMXYHWSZLDVJQY-ZDUSSCGKSA-N	311.200	3.554	50	40	DHGB	
N#Cc1c(NC(=O)C(Cl)Cl)sc2c1CCCCC2	5382609	XEBHKXDUMWBGEI-UHFFFAOYSA-N	303.214	3.631	50	40	DHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C1CCCCC1	371078	HZTCYBYAAFDGCW-DEDYPNTBSA-N	324.428	3.520	50	40	DHGB	
Cn1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21	372819	QCVBZEGBLVRBLC-SDNWHVSQSA-N	307.397	3.534	50	40	DHGB	
COc1ccccc1C(=O)N/N=C/c1cccc2ccccc12	1739017	PDEYSGRGORJWTH-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)c2ccccc2)c(OC)c1	5560393	WPLWVOYHHZLZPK-NTEUORMPSA-N	323.348	3.502	50	40	DHGB	
CC(C)c1ccc(C(=O)NNC(=O)c2ccco2)c(C(C)C)c1	9114146	ZGGIFFGCIIFKMD-UHFFFAOYSA-N	314.385	3.601	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	32799221	NAASTHOECFXMPC-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1ccc(Cl)cc1	228979281	QLIQSYGJLAKZRH-UHFFFAOYSA-N	302.230	3.857	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1O	4170892	OGUACQLYIAFIGJ-MDWZMJQESA-N	305.337	3.650	50	40	DHGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc2ccccc2[nH]1	6490709	HYZLXDITDGSINA-XYOKQWHBSA-N	320.308	3.544	50	40	DHGB	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccccn1	7918745	KOUIROPIGJCSAT-MDWZMJQESA-N	312.756	3.960	50	40	DHGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C2	102250149	FMNLLNYWLXWVQC-AZLRGOAOSA-N	315.373	3.527	50	40	DHGB	
Cc1cc(Br)cc2sc(NC(=O)CCl)nc12	20131749	ABCBWEAMAHNASR-UHFFFAOYSA-N	319.611	3.545	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C	408871259	YFZWCHMPTIUIIU-OYEXAURXSA-N	309.413	3.753	50	40	DHGB	
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	159177	FTFGGNSYSXCJMV-KGLIPLIRSA-N	324.207	3.656	50	40	DHGB	
O=C(/C=C/c1cnc2ccccc2c1)NNc1ccc(F)cc1	1389995	ZNTZYEGSMDHANA-BJMVGYQFSA-N	307.328	3.530	50	40	DHGB	
CCCc1c(OCCCBr)ccc(C(C)=O)c1O	2144704	DRGBHKZRLWJAOU-UHFFFAOYSA-N	315.207	3.711	50	40	DHGB	
O=C(CCl)Nc1ncc(Cc2cccc(Cl)c2)s1	5756952	QWRLLOYCFFBITO-UHFFFAOYSA-N	301.198	3.565	50	40	DHGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)OC(C)(C)C	7947243	NTVRORIOICNTPT-DEDYPNTBSA-N	324.380	3.710	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C\[C@H](C)c2ccccc2)c(C)c1	13955370	PGXTWSLZDFHFSC-DEFALTHMSA-N	310.397	3.588	50	40	DHGB	
C[C@H](Br)C(=O)c1ccc(OC(=O)C(C)(C)C)cc1	95921729	WCOJGOGSLIIZFN-VIFPVBQESA-N	313.191	3.604	50	40	DHGB	
Cc1nc(N(C)C(=O)Cl)sc1C(=O)OCc1ccccc1	255187018	ASONYNRPJASFCR-UHFFFAOYSA-N	324.789	3.604	50	40	DHGB	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Cl)cc1	2170040	ZHLCCUQAQOFEBB-UHFFFAOYSA-N	307.689	3.775	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)s1	2744645	AQKFEPKKRYMBDD-GIJQJNRQSA-N	316.426	3.511	50	40	DHGB	
Cc1occc1C(=O)N/N=C/C=C1\N(C)c2ccccc2C1(C)C	3167298	CJVDDPXJIDAWJK-NPDJVDMHSA-N	323.396	3.615	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1O	17054821	MUKZMPYQGNXCSE-UHFFFAOYSA-N	318.804	3.588	50	40	DHGB	
Cc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1	59678703	NETDUUXOOOFKJT-UDWIEESQSA-N	320.396	3.951	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1	497991	YMQXFSGWKSTDOE-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
COc1cc(C=C(C#N)C#N)ccc1OCCOc1ccccc1	4182046	FASYUYVHROYLFT-UHFFFAOYSA-N	320.348	3.584	50	40	DHGB	
Cl[C@H]1CC[C@@H](Cl)[C@H]2CC[C@H]3[C@H](Cl)CC[C@H]1[S@+]32	5179529	HLAFGOGRNLAIKM-YOEUBZRWSA-N	300.702	3.914	50	40	DHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	20248095	IWCKHCIPAPVVBH-HWQJWEFDSA-N	318.829	3.971	50	40	DHGB	
Cc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)o1	36767643	PMJJVMSJBZUPOJ-UHFFFAOYSA-N	306.365	3.940	50	40	DHGB	
N#C/C(=C\Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1	44842261	BSZUOCDMJIZSNJ-RVDMUPIBSA-N	318.785	3.591	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc2c3c(cccc13)CC2	408829250	OVDSSXCOPIPGBA-HYARGMPZSA-N	314.388	3.631	50	40	DHGB	
O=C(Nc1ccc2oc(=O)c3ccccc3c2c1)C(Cl)Cl	1724351	NFHBQMFJMCCPQL-UHFFFAOYSA-N	322.147	3.688	50	40	DHGB	
Cn1cc(C(=O)N/N=C\c2ccccc2Cl)c2ccccc21	33323747	UJMZTDUNPWDDEV-GRSHGNNSSA-N	311.772	3.596	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)c1	65502933	FRXJCDKEQNZJFW-LFIBNONCSA-N	306.365	3.939	50	40	DHGB	
CCn1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c2ccccc21	409378921	SGYVMUIMWLGCJD-XNTDXEJSSA-N	318.380	3.722	50	40	DHGB	
CC(/C=C/c1ccccc1)=N/NC(=O)COc1cc(C)ccc1C	4018536	OVIUXXPAIHVINA-NLNAJOJOSA-N	322.408	3.888	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC)cc1	6947588	XSJKDLYYYBWTHB-QINSGFPZSA-N	322.364	3.640	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@H]2CC[C@@H]1C2	17031435	JTXMUFJZYYCMDM-HAULQTLBSA-N	306.793	3.588	50	40	DHGB	
c1nc(N2CCSSCC2)c2c3c(sc2n1)CCCC3	89885492	HQZVGFKRLCRSTN-UHFFFAOYSA-N	323.512	3.772	50	40	DHGB	
COc1ccc(OC)c(C(=O)CCCCCBr)c1	575358281	PWQFLQJBFQIDKQ-UHFFFAOYSA-N	315.207	3.842	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1	3184310	YJJHMYKBRRENSX-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccccc1	5008321	CPKWNAGXVCETGJ-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
COc1ccc(Cn2c(CCCl)nc3ccccc32)cc1	36909424	HBEQVUSWLGNRTA-UHFFFAOYSA-N	300.789	3.875	50	40	DHGB	
O=C(CSc1ccccc1)N/N=C/c1c(F)cccc1Cl	58915721	UUZOWWUNIMUDIL-GIJQJNRQSA-N	322.792	3.722	50	40	DHGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCO[C@@H]1C	92304694	KDEVVZJODCJLBX-IAQYHMDHSA-N	318.442	3.748	50	40	DHGB	
COc1c(F)cc(F)cc1C(=O)CCCCBr	575358100	JSEVUGDBWHKAIO-UHFFFAOYSA-N	307.134	3.721	50	40	DHGB	
Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)CCl)C1(C)C	2108915	FJCXJKCVNRMCRS-GUYCJALGSA-N	318.848	3.961	50	40	DHGB	biogenic
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@H]2CC[C@@H]1C2	5893493	KJMOKWHQHZDVGZ-KQBVIOBLSA-N	306.793	3.588	50	40	DHGB	
COc1ccc(CC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	587301	AIFOBVNZYKYBPE-DEDYPNTBSA-N	310.397	3.511	50	40	DHGB	
CCOc1cc(C=C(C#N)C#N)cc(Br)c1OCC	3361651	CSUQZCOQZWIDCV-UHFFFAOYSA-N	321.174	3.677	50	40	DHGB	
CCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1	5708109	DSPNBZBWUYOKBY-UHFFFAOYSA-N	306.321	3.944	50	40	DHGB	
COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1C(C)(C)C	6761882	MRVQSLZMMXPAOH-KGENOOAVSA-N	324.424	3.686	50	40	DHGB	
CCCCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1	31670249	OZUPGKGJMRSPDT-ZHZULCJRSA-N	310.397	3.906	50	40	DHGB	
CC(C)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	44022546	AUWUBEIPWQAWLR-FOWTUZBSSA-N	322.412	3.856	50	40	DHGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C	408769420	UJRZZFWQUXXEFW-WQRHYEAKSA-N	321.424	3.834	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccccc1)c1cccc2ccccc12	5381595	JCHJECDMLKTEAH-RCCKNPSSSA-N	302.377	3.923	50	40	DHGB	
CCCCC(=C/c1ccccc1)/C=N/NC(=O)c1ccc[n+](C)c1	1759186	SXSNMMYXMMASRO-IVUDTHCKSA-O	322.432	3.501	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	7164327	CFKJBARXNDADNV-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1	15219758	IKSDZPINQDZPRZ-NVNXTCNLSA-N	320.348	3.578	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1	59502240	KXBODCQKFNNZNR-HMMYKYKNSA-N	310.397	3.558	50	40	DHGB	
CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	83303194	GMMZUPBSJJTZGD-UNOMPAQXSA-N	308.337	3.595	50	40	DHGB	
N#C/C(=C\c1ccc(O)c(O)c1)Sc1nc2ccccc2[nH]1	408598578	DWJPBGHNWJFZIZ-YRNVUSSQSA-N	309.350	3.631	50	40	DHGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2F)o1)c1ccco1	408604240	UOFLKOOQNTXDPX-OCKHKDLRSA-N	316.263	3.582	50	40	DHGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1C(=O)c1ccccc1	3299713	HWTBXFKBQGEBMB-UHFFFAOYSA-N	324.343	3.534	50	40	DHGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1	4132401	OOJNXBOWMQXOFJ-UDWIEESQSA-N	310.397	3.762	50	40	DHGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	59117352	IBLOYLIUJVUDSC-YFHOEESVSA-N	320.179	3.878	50	40	DHGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C2	109568374	FMNLLNYWLXWVQC-GANRDEKBSA-N	315.373	3.527	50	40	DHGB	
BrCc1cc(-c2cccc(Br)c2)no1	35323279	OCTOWVMASYVELT-UHFFFAOYSA-N	316.980	3.999	50	40	DHGB	in-vitro
O=C(Cc1ccc(F)cc1)NNc1ccccc1C(F)(F)F	45481025	KFFSCBHYAJZNRR-UHFFFAOYSA-N	312.266	3.530	50	40	DHGB	
Cn1c(/C(C#N)=C\c2ccc(F)cc2)nnc1-c1ccccc1	58185052	PASWVGICFHACOO-PTNGSMBKSA-N	304.328	3.685	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1	408812279	MNSGWLPWBVDDGB-RMSYLZOUSA-N	312.413	3.606	50	40	DHGB	
Cc1ccccc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1	509134	FSWXZNMVVPRWNS-FYJGNVAPSA-N	324.424	3.822	50	40	DHGB	
CCc1ccc(CC(C)(C)/C=N/NC(=O)c2ccccc2O)cc1	4614204	ICVKAWRSVOMOLV-KGENOOAVSA-N	324.424	3.939	50	40	DHGB	
O=C(CBr)c1cccc(NC(=O)c2ccccc2)c1	27529762	YTSCJNGLTOKOEQ-UHFFFAOYSA-N	318.170	3.517	50	40	DHGB	
Clc1cccc(C2=NO[C@@H](CBr)C2)c1Cl	217843732	FGBVNSRSKVKUJJ-ZCFIWIBFSA-N	308.990	3.881	50	40	DHGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1cccc(F)c1	135353	ZCXFYZJPRMWZFP-UHFFFAOYSA-N	308.312	3.844	50	40	DHGB	
C=C[P@](=O)(OCC)[C@@](O)(CBr)c1ccccc1	547304	DHBSATWBYONGPH-SJCJKPOMSA-N	319.135	3.685	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1F	915257	JYZQTWTULISOJI-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)cc1	1435820	OCQUYTRGJGQZIY-LPYMAVHISA-N	319.408	3.949	50	40	DHGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)C(C)(C)C	4525803	XCEGWYRAVUOUQX-YBFXNURJSA-N	323.824	3.597	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1C	194518532	BJJJNMBPKNXXOL-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1	255372744	VYVRKUOFBOHMEX-VBKFSLOCSA-N	304.349	3.797	50	40	DHGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2)cc1Br	408958579	ZDJIRPMVIXTZHC-YVLHZVERSA-N	317.186	3.521	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)CNc1ccc2ccccc2c1	261427	HUDHTZFASBHNEV-RGVLZGJSSA-N	323.421	3.772	50	40	DHGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccs3)cc2c1	366205	OLAYAVABOTWFIN-VCHYOVAHSA-N	309.394	3.677	50	40	DHGB	
O=C(CNc1ccccc1)NN=C1CCC(c2ccccc2)CC1	7009159	DUXGZJBCVNKZJN-UHFFFAOYSA-N	321.424	3.929	50	40	DHGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1nc2ccccc2s1	9089760	YWKCFMWQPMLDQJ-JLHYYAGUSA-N	305.362	3.842	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1	14134771	CAIKAKJYHGMTIK-DEDYPNTBSA-N	310.397	3.844	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c1	28355874	DLJIYDSLNYARMX-MDWZMJQESA-N	312.756	3.894	50	40	DHGB	
CSc1ccc(/C=N/NC(=O)Cn2ccc3ccccc32)cc1	199406150	VVPHNDNCRIKINR-XDHOZWIPSA-N	323.421	3.514	50	40	DHGB	
O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1Br	4906308	GYTOODLZJOYSOY-CYBMUJFWSA-N	315.170	3.523	50	40	DHGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1	408567886	QBNMCPQVYUFDLA-XFFZJAGNSA-N	308.272	3.674	50	40	DHGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccco2)cc1Cl	409020193	MPKOBODNMGKFER-TZQXVGBESA-N	320.776	3.874	50	40	DHGB	
O=C(CBr)Nc1ccccc1OCc1ccccc1	35605093	NPLVWVVFXYLAJD-UHFFFAOYSA-N	320.186	3.599	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)cc2)NC(=S)N1	409369137	DOQAUJRKAHAHHF-LBPRGKRZSA-N	305.834	3.683	50	40	DHGB	
CCCCCC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2477897	RNXHADDNDXRCHU-GFCCVEGCSA-N	302.418	3.940	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2	44028874	UJQMAPLKVKLYJF-NTUHNPAUSA-N	311.724	3.859	50	40	DHGB	
[C-]#[N+][C@H](Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1	104899833	CXMCCYDSIRLPHS-INIZCTEOSA-N	319.813	3.910	50	40	DHGB	
O=C(O)c1cc([C@@H](Cl)C(Cl)(Cl)Cl)ccc1O	1679026	MIDTWVMBRMCBLH-SSDOTTSWSA-N	303.956	3.741	50	40	DHGB	
O=C(C[C@@H](Br)C(=O)c1ccccc1)c1ccccc1	1873115	POAJBEKARGGZCV-CQSZACIVSA-N	317.182	3.906	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1	4188196	BGZUOYDFOVFXLF-XXXRSFMGSA-N	317.392	3.730	50	40	DHGB	
O=C(Cl)/C=C(/c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	17162037	UQTJNYJQEYEOIN-QBOMHBFWSA-N	301.729	3.853	50	40	DHGB	
CCSC(SCC)=C(C#N)NC(=O)c1ccc(C)cc1	27062065	IBTKQVVBWSHWNH-UHFFFAOYSA-N	306.456	3.924	50	40	DHGB	
Cn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2ccccc21	519891	LPROGYNPKMEEAQ-VXLYETTFSA-N	311.772	3.596	50	40	DHGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1ccccc1F	4121369	QEUOUWAJMDVHLO-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
N#CC(C#N)=Cc1cn(Cc2ccccc2C#N)c2ccccc12	5008337	WEZMIGHRQFIHLT-UHFFFAOYSA-N	308.344	3.992	50	40	DHGB	
COC(=O)c1cccc(C(=O)CCCCCBr)c1	575362239	AXWCGXZDQTUFGI-UHFFFAOYSA-N	313.191	3.611	50	40	DHGB	
C/C(=N\NC(=O)CNc1cccc2ccccc12)c1cccs1	5221654	AHIZJLNXOYUWOX-DEDYPNTBSA-N	323.421	3.854	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1CC(C)C	8105457	XGTJOBMLQOMFPG-KEBDBYFISA-N	315.392	3.664	50	40	DHGB	
CCc1ccc(/C(C)=N\NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1	13325274	NKMMQQKVPCQRMW-KNVVHKQBSA-N	306.409	3.893	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1N)c1ccc(C(C)(C)C)cc1	14408876	DFNQBHJNPMQVCM-FYJGNVAPSA-N	309.413	3.720	50	40	DHGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	170953042	UQQYJPDUOISYER-MHWRWJLKSA-N	324.380	3.538	50	40	DHGB	
CC(C)c1ccc(N(Cc2cccnc2)C(=O)CCl)cc1	199756470	QAHRULGRPWFEAQ-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(Br)c1	65121	UIBUYKJLZOSEBH-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(C(C)C)cc1)c1ccccc1	1027800	AAHYYOJSTCLMHG-JZQBQCRLSA-N	310.397	3.648	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc2c(c1)OCO2	1628757	QCROMILSZYPNDA-KPKJPENVSA-N	309.258	3.546	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1	35084760	WDOCGMJQKZQEBW-YBEGLDIGSA-N	320.348	3.547	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccccc1	409018725	YRUNZSSJVLOFAW-UDWIEESQSA-N	308.312	3.850	50	40	DHGB	
C=CCSC1=C(C#N)[C@@H](c2cccc(Cl)c2)CC(=O)N1	2296005	UQUDWMFKWADGRH-GFCCVEGCSA-N	304.802	3.598	50	40	DHGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1c(Cl)cccc1Cl	6209919	OGGRQCCMKUGCQP-DHZHZOJOSA-N	318.163	3.934	50	40	DHGB	
N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1	100006009	OTNYDYNCOCRMDG-HXUWFJFHSA-N	305.361	3.819	50	40	DHGB	
O=C1CC(c2ccc(OCC3CCCCC3)cc2)CC(=O)O1	217802278	DUHUQFDDNXIGIV-UHFFFAOYSA-N	302.370	3.593	50	40	DHGB	
Cc1cc2nc(/C(C#N)=C3\C(=O)Nc4ccccc43)[nH]c2cc1C	408544247	UMHWMAGFNHFIFF-LGMDPLHJSA-N	314.348	3.566	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	408802389	ZQZSCOGEMFMKGR-JMRXEAOASA-N	308.381	3.670	50	40	DHGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)NCCc1ccccc1	40889417	PURVVZSRMJYZPA-WJDWOHSUSA-N	310.784	3.606	50	40	DHGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334478	GXPBWPFSGORBDE-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
O=C(CCl)Nc1c(-c2ccccc2)oc2ccccc2c1=O	162356	CNQPCXHLPXNLSQ-UHFFFAOYSA-N	313.740	3.637	50	40	DHGB	
CC[C@H](Br)C(=O)Nc1nc2c(F)cccc2s1	20132505	FWAQQHYNMZPGGJ-LURJTMIESA-N	317.183	3.547	50	40	DHGB	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)Nc1nccs1	98055999	HAPGNCJBCISXAE-JXMROGBWSA-N	313.313	3.574	50	40	DHGB	
C[C@@H]1C[C@@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@@H]1CC[C@@H]2C1	105305151	SVRPOTXJQJBPHV-SKAXTKAESA-N	312.413	3.570	50	40	DHGB	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408567450	NLVJKVFRGKXUKX-LCYFTJDESA-N	306.344	3.832	50	40	DHGB	
O=C(N/N=C\c1ccc(Br)s1)Nc1ccccc1	13113538	RBOAORKWIWDRTR-ZSOIEALJSA-N	324.203	3.666	50	40	DHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1O	15219807	IHXAAMQWTNXLOE-GDNBJRDFSA-N	322.364	3.645	50	40	DHGB	
CO[C@H](C(=O)N/N=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	20243954	KVQWLOWYNDGITM-SXZORUHJSA-N	324.424	3.822	50	40	DHGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1cccc2ccccc12	59515841	ZWUAKXXYAQBKJQ-UHFFFAOYSA-N	323.396	3.605	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(Cl)cc1	432030	GBDLUGDZKHILOD-DEDYPNTBSA-N	315.804	3.601	50	40	DHGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409129514	GISOVLQLODHCIH-GOSISDBHSA-N	321.424	3.540	50	40	DHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccccc1F	131846	CIKMIATXIUYWPJ-WSDLNYQXSA-N	321.355	3.541	50	40	DHGB	
O=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccccc1	3188064	TTZCSOWBEWACCC-UHFFFAOYSA-N	311.772	3.717	50	40	DHGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1	3246921	QEJYLPGXWZSTNP-JLHYYAGUSA-N	314.291	3.834	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc3c(s2)CCCC3)ccc1O	5445697	MGQOTWDFXNKAKL-XYOKQWHBSA-N	312.394	3.800	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	5513557	GPCUUWAEMFLTCF-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1cccc(Cl)c1	5527186	RCSUHIOFQXJJDS-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
N#CC(C#N)=Cc1cn(Cc2ccc(C#N)cc2)c2ccccc12	408919689	BLNWWOOCAQJUIS-UHFFFAOYSA-N	308.344	3.992	50	40	DHGB	
CCOP(=S)(NC(=O)Nc1cccc(Cl)c1)OCC	159909	WNVMRYGHTFXIHX-UHFFFAOYSA-N	322.754	3.759	50	40	DHGB	
CCOC(=O)/C(C#N)=C(\C)c1ccc(-c2ccccc2O)cc1	94992611	YLKBNWXGYGCXPR-GHRIWEEISA-N	307.349	3.919	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O	100035365	SZEPTZSKPQXUOQ-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccc3ccccc3c2)c1	408598467	AZOFOLDTRBBGSF-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
ClCc1ccc(CCl)c(I)c1	1776010806	BGNYJLBGIHZLAG-UHFFFAOYSA-N	300.954	3.769	50	40	DHGB	
CC(C)(C)NC(=O)P(=O)(c1ccccc1)c1ccccc1	159109	NRGIBYDTXTXTQJ-UHFFFAOYSA-N	301.326	3.509	50	40	DHGB	
COc1cc2c(cc1OC)C(C(Cl)Cl)=NC(C)(C)C2	170242	JJDIHJIVYKCASX-UHFFFAOYSA-N	302.201	3.631	50	40	DHGB	
CCn1c(C)c(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21	583026	ZLLIAZBOJWNHGU-YBFXNURJSA-N	309.369	3.635	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)c1cccc(F)c1	3148506	LGSBHNGKYPSSDZ-DEDYPNTBSA-N	314.360	3.769	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	3269833	BLOXIDYZMHFRLV-ZCFIWIBFSA-N	302.733	3.654	50	40	DHGB	
O=C(NNC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1	23136078	IFPISULBEQQYJR-UHFFFAOYSA-N	322.408	3.809	50	40	DHGB	
N#C[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)[C@@H](O)CCl	35686407	BHEGMXJKNPRLHI-PWSUYJOCSA-N	313.209	3.670	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc([N+](=O)[O-])c1O	59485034	GRPLXGMWORPYOQ-VGOFMYFVSA-N	310.309	3.682	50	40	DHGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1	82375319	LYWDAJCSUZNFPV-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@@H](C)CC	408816386	JOIGOZOZNMMNPU-ZWSXMNCCSA-N	306.793	3.560	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2cccc(C)c2)cc1	409128406	DUDGSCZYFKOMIO-CPNJWEJPSA-N	312.438	3.936	50	40	DHGB	
CCOC(=O)[C@@H]1C[C@@H](Cl)c2c(ccc3cc(OC)ccc23)N1	1740414	KRAMWBCCPHPNDF-HIFRSBDPSA-N	319.788	3.876	50	40	DHGB	
CC(C)C/C(=N\NC(=O)CNc1ccccc1)c1ccccc1	6297653	LMTJLYOQVMATHZ-DYTRJAOYSA-N	309.413	3.665	50	40	DHGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(C)cc1	17123108	ZNGRZNGJYRFWHJ-ZHZULCJRSA-N	318.380	3.539	50	40	DHGB	
NC(=O)NN=C(c1cc2ccccc2o1)c1cc2ccccc2o1	68603097	FCURRXZDMZFCCA-UHFFFAOYSA-N	319.320	3.600	50	40	DHGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)o1	408778432	UMQQSNSJKQNIRH-ZROIWOOFSA-N	310.353	3.921	50	40	DHGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C	409071001	ZWIXASVEGJMDIB-VCHYOVAHSA-N	303.793	3.542	50	40	DHGB	
O=C(NCCCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1667992	BYDONUYJMAYHFP-UHFFFAOYSA-N	319.632	3.693	50	40	DHGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)C1CC1	3576687	WLAMZUFTVIFHHO-UDWIEESQSA-N	303.365	3.695	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	353082	DIYSWHARCQHWJO-FYJGNVAPSA-N	324.424	3.822	50	40	DHGB	
O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(Cl)Cl	1671458	HKWHUGDNXDUQPO-UHFFFAOYSA-N	318.927	3.611	50	40	DHGB	
COc1cccc(C(=O)N/N=C(\CC(C)C)c2ccccc2)c1	4646982	YGSPITUSLGAZOW-CZIZESTLSA-N	310.397	3.875	50	40	DHGB	
Cn1c(NC(=O)CCl)c2c3c(cccc31)C(=O)c1ccccc1-2	85409598	DKJRCSCWVWHSEO-UHFFFAOYSA-N	324.767	3.567	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C	260612824	BFMJBHVDVLOPBV-GDBMZVCRSA-N	317.477	3.636	50	40	DHGB	
CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)Cc1ccccc1	408600524	CKTWEBFJOXEIDY-NPQOUYBPSA-N	310.397	3.557	50	40	DHGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1	408870966	WHXQNADEYXFNHV-NTUHNPAUSA-N	312.756	3.894	50	40	DHGB	
N#C[C@H](c1nc(-c2ccc(Cl)cc2)cs1)[C@H](O)CCl	35686404	BHEGMXJKNPRLHI-CMPLNLGQSA-N	313.209	3.670	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)c2sccc2C)cc(OC)c1	44028464	DCBPZCRPVBFJIH-AWNIVKPZSA-N	313.378	3.864	50	40	DHGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(N)=S	408543032	NADNOKQLOGARNL-NTEUORMPSA-N	312.369	3.598	50	40	DHGB	
CCN(CC)c1ccc(C(=O)NN=C2CCCCCC2)cc1	5119566	YTDXNFKPXMCUIR-UHFFFAOYSA-N	301.434	3.973	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(O)cc1	409260354	PEVFCEWHCYCPMW-KGENOOAVSA-N	324.424	3.773	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	1083646	FIQFRGGUBNMQAU-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
CCCC/C(=N/NC(=O)COc1ccccc1)c1ccccc1	4587688	OGQFLKMUGSORBA-ZZEZOPTASA-N	310.397	3.776	50	40	DHGB	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2)o1	4903328	QMLWJZIWTZUJJJ-HQLZQASFSA-N	317.348	3.820	50	40	DHGB	
C[C@H]1C/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1	5783905	FYMHMAQQXOUGGM-ZDQRYUTBSA-N	303.362	3.527	50	40	DHGB	
C/C(=N\NC(=O)C1[C@H]2CCCC[C@@H]12)c1ccc2ccccc2c1O	18126849	KTCMMLGFFMETED-YCBPKSMJSA-N	322.408	3.822	50	40	DHGB	
O=C(CCCC[C@@H]1CCSS1)NCCc1nccs1	50773850	IXACZBGHRCWERM-LLVKDONJSA-N	316.517	3.516	50	40	DHGB	
CC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@@H]1Br	3101763	BZAZBGOGWOWHAX-AWEZNQCLSA-N	319.202	3.921	50	40	DHGB	
C=CCCCCCCCCC(=O)N/N=C/c1ccc(O)cc1O	4602096	KOFSILKXVZMXHG-XMHGGMMESA-N	318.417	3.855	50	40	DHGB	
CCOC(=O)N/N=C/C1=Cc2cc(Cl)cc(Cl)c2OC1	36843714	HFODYUDOYVAGEB-OMCISZLKSA-N	315.156	3.501	50	40	DHGB	
N#C/C(=C\c1cccc(O)c1)C(=O)c1c[nH]c2cc(F)ccc12	40549533	ITVQIHPUMGIJOR-WUXMJOGZSA-N	306.296	3.802	50	40	DHGB	
CC1(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])[C@]2(C)CC[C@H]1C2	100082743	DXENNOBCAIEHIF-PTCMVRFGSA-N	315.373	3.527	50	40	DHGB	
Cc1cccc(C)c1OCC(=O)C(C#N)=C1Nc2ccccc2N1	5687272	NXDCVCOYXBCDRI-UHFFFAOYSA-N	319.364	3.524	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(F)c1	6230020	GWBJZVHHDOPVGK-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1	6825850	AMDQMRRTGJFFEG-DHDCSXOGSA-N	322.364	3.563	50	40	DHGB	
O=C(N/N=C\c1cccc(Cl)c1Cl)c1cccc(F)c1	33303524	CKTBVFVYOJZLEO-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccccc1	59473116	DPDUEWXISCFYTR-XDJHFCHBSA-N	312.438	3.769	50	40	DHGB	
CCOC(=O)[C@@H]1C[C@H](Cl)c2c(ccc3cc(OC)ccc23)N1	1740421	KRAMWBCCPHPNDF-ZFWWWQNUSA-N	319.788	3.876	50	40	DHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	23217146	XEQJMOQRTUTHQZ-NTCAYCPXSA-N	322.339	3.936	50	40	DHGB	
BrCCc1c[nH]c2ccc(Br)cc12	77596355	WSEQDUYHYXKRQQ-UHFFFAOYSA-N	302.997	3.868	50	40	DHGB	
COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	179026369	CCGFEFPESBWPIQ-SDNWHVSQSA-N	322.364	3.558	50	40	DHGB	
CC(=O)NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1	4175832	FBFQHMRQJAYZRC-UHFFFAOYSA-N	302.186	3.580	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1ccc(Cl)c(N2CCCCC2)c1	34776737	WHAQNYCPUXCCDH-SNVBAGLBSA-N	301.217	3.896	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1nc2ccccc2n1C(F)F	83813108	KAPYKWZVKWKFRD-DJKKODMXSA-N	324.331	3.680	50	40	DHGB	
C/C(=N\NC(=O)c1cccs1)c1ccc(OC(F)F)cc1	5163962	UGSNMANDYUNOAQ-RQZCQDPDSA-N	310.325	3.504	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20132158	FFYDKSDXCXQFFU-JTQLQIEISA-N	323.849	3.852	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1	20194732	NRKCFSCEJSNYNO-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
Br[C@H]1[C@H]2C[C@@H](Br)[C@H]1c1ccccc12	103219027	IOYZZQUDGDVQMG-ZDCRXTMVSA-N	302.009	3.798	50	40	DHGB	
Cc1ccc2oc(-c3cccc(NC(=O)CCl)c3)nc2c1	215890640	FWWWISIOYJIIOJ-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1C(=O)O	408584001	ZEDMCNXPFFETER-XNTDXEJSSA-N	323.348	3.856	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C)cc3)cc2c1	409187925	VSWAISJKRNIFQI-NDENLUEZSA-N	322.364	3.904	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@@H]1c1cccs1	3931940	AITXKEHBSVDNOZ-INIZCTEOSA-N	306.390	3.913	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	4032211	HGXZDNCPBPUSQC-GXDHUFHOSA-N	319.364	3.655	50	40	DHGB	
CC1=C(C#N)C(c2ccc(C(F)(F)F)cc2)C(C#N)=C(C)N1	19419673	LFFXGJSUTRZZFR-UHFFFAOYSA-N	303.287	3.987	50	40	DHGB	
CCCSC1=C(C#N)[C@@H](c2ccc(CC)cc2)CC(=O)N1	2481086	KIHGJLVZMJJQHV-CQSZACIVSA-N	300.427	3.731	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(SC)cc1	4501743	PGIOUYJAOUQRMX-SDNWHVSQSA-N	324.405	3.963	50	40	DHGB	
NC(=O)N/N=C(/c1ccccc1)[C@@H]1CCCCc2ccccc21	8628050	SBMOCHRKKYVNKP-VVDBFAKWSA-N	307.397	3.569	50	40	DHGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc2c(c1)OCO2	44028678	PZZVTZBGKOSSOS-AWNIVKPZSA-N	311.724	3.859	50	40	DHGB	
CC/C(Cc1ccccc1)=N\NC(=O)COc1cc(C)cc(C)c1	408951433	IUTXQUBYRNNMSG-DYTRJAOYSA-N	324.424	3.807	50	40	DHGB	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	148334	IJMPTUNQPITJHU-MHWRWJLKSA-N	317.797	3.987	50	40	DHGB	
CC(C)(C)OC(=O)NC[C@H](F)CO[Si](C)(C)C(C)(C)C	261507394	HZVSSELOEOOSBY-NSHDSACASA-N	307.482	3.871	50	40	DHGB	
COC[C@@H](Cl)COC(=O)C(c1ccccc1)c1ccccc1	2048026	GTZPLJFLQKDOHF-MRXNPFEDSA-N	318.800	3.616	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)c1	6843924	CFSJYFNOVIIIKB-CIAFOILYSA-N	324.424	3.956	50	40	DHGB	
Cc1ccc(C(=O)/C=C\N(CCCl)CCCl)cc1C	100304875	NYWBFXZNBRAYCD-YVMONPNESA-N	300.229	3.779	50	40	DHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	408793112	NLMBXDKIEYZLTI-NTCAYCPXSA-N	320.348	3.503	50	40	DHGB	
O=C(O)c1ccccc1C(=O)c1ccc(CBr)cc1	1610423	IWPVPNYANNAZSI-UHFFFAOYSA-N	319.154	3.511	50	40	DHGB	
C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccc(C)cc1	4724115	ORSOQXVWSAIDTI-UYRXBGFRSA-N	316.788	3.568	50	40	DHGB	
Cc1ccc(NC(=O)[C@@H](Cl)c2ccccc2)c([N+](=O)[O-])c1	5781675	VHRZOMWZXLEUBT-AWEZNQCLSA-N	304.733	3.822	50	40	DHGB	
Cc1cccc(OCCOc2ccc(C=C(C#N)C#N)cc2)c1	6217266	HWQYOGKGSGYSTN-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1cc(Cl)ccc1C	59434254	YMPJAIMGYPMHAX-UHFFFAOYSA-N	323.824	3.659	50	40	DHGB	
C/C(=N/NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1	5034949	OYKBCNWAYRPRTA-JCMHNJIXSA-N	315.376	3.903	50	40	DHGB	
CN(CC(=O)/C(C#N)=C1/Nc2ccccc2S1)c1ccccc1	101168360	ATIOEWMJJBUJIT-JXAWBTAJSA-N	321.405	3.645	50	40	DHGB	
Cc1ccc(O[C@@H](C)C(=O)NN=C/C=C/c2ccccc2)cc1	245241658	MGSQKWAXSVOLCT-TVDQJJMLSA-N	308.381	3.578	50	40	DHGB	
Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	250218	PFDFOMZKRNGGEG-HNNXBMFYSA-N	323.223	3.967	50	40	DHGB	
Cc1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)o1	25583200	FIQPRKZOFJSRNQ-UXBLZVDNSA-N	311.728	3.542	50	40	DHGB	
O=C(N/N=C/c1ccccc1F)c1cccc(C(F)(F)F)c1	59921630	YWTMGUVQEGDOME-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
S=C=NCc1ccc(Br)cc1Br	196220079	QJVDGYVUVHOQTI-UHFFFAOYSA-N	307.010	3.814	50	40	DHGB	
N#CC1=C(Nc2ccccc2Cl)SC2(CCCC2)NC1=O	1590865	TVSGAOIMECAQIP-UHFFFAOYSA-N	319.817	3.620	50	40	DHGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)cc1Cl	4860445	FNDPNQSAACZBCM-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
COc1ccc(C(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc1OC	6795590	MIQQZWJWCQXTAS-DSVMPHHWSA-N	318.417	3.636	50	40	DHGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1C(C)C	136891149	WQSPKFGTKYEBSH-JAIQZWGSSA-N	315.392	3.518	50	40	DHGB	
Cn1c(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc21	5571514	BKBGUZSHKAMZQV-RAXLEYEMSA-N	304.309	3.546	50	40	DHGB	
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1cc(C)ccc1C	12561992	NSBQTMOLMGSNDY-HNENSFHCSA-N	324.405	3.958	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2F)o1	19635086	FYBVTZXZLHCYIY-FYJGNVAPSA-N	322.339	3.779	50	40	DHGB	
O=C(CBr)c1ccc2c(c1)Cc1ccccc1C2	24737930	ONFJZYCGNUKBQK-UHFFFAOYSA-N	301.183	3.759	50	40	DHGB	
N#C/C(=C/c1ccco1)c1nc(O)c2c3c(sc2n1)CCCC3	96669454	SHHLWEJSCIEZRO-NTMALXAHSA-N	323.377	3.933	50	40	DHGB	
CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCl	8155953	SXSXHGIGLYIYAH-UHFFFAOYSA-N	317.816	3.853	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)c1	40139770	OGCCLGGXMYYBNJ-LFIBNONCSA-N	307.349	3.884	50	40	DHGB	
N#C/C(=C/NC(=S)c1ccncc1)c1nc2ccccc2s1	100133422	SAJLUEONNSGLNE-BENRWUELSA-N	322.418	3.521	50	40	DHGB	in-vitro
C[C@@H](CCl)COc1ccc2oc(=O)c3c(c2c1)CCCC3	226792789	JSJXJOMZOSWTBJ-NSHDSACASA-N	306.789	3.926	50	40	DHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1F	5370507	LFQVYPXZRTXVPT-OTGIAGGSSA-N	316.401	3.598	50	40	DHGB	
N#C/C(=C/c1ccsc1)C(=O)NCc1ccc(Cl)cc1	6415130	JBJWQOAXSMDBMK-QPEQYQDCSA-N	302.786	3.625	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(C(F)(F)F)c1	6959906	KWLAADGSGIOQJX-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
CCCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1	59445265	QTXAENSKUCIHKF-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
N#C/C(=C\c1c[nH]c2ccccc12)c1nnc2n1CCCCC2	5069613	FQKOLCFPKIUZHH-JLHYYAGUSA-N	303.369	3.550	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3o2)c(OC)c1	5119012	UFKRNTURBASZCO-UKTHLTGXSA-N	306.321	3.909	50	40	DHGB	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1nccs1	7767124	KOUUFFFEEZDSCO-PKNBQFBNSA-N	323.377	3.997	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C\[C@@H](C)c2ccccc2)c(C)c1	13955372	PGXTWSLZDFHFSC-SDLDRHLBSA-N	310.397	3.588	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/[C@@H]2CC=CCC2)cc1	5445754	IGNBEDGYRVPNCA-OOWUWCJESA-N	314.429	3.821	50	40	DHGB	
C[C@H]1C/C(=N\NC(=O)c2cccc(N(C)C)c2)CC(C)(C)C1	7783918	SLNKZBFLNKSUMI-FDXCNZBMSA-N	301.434	3.685	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccsc1	7993722	OTDXWVYEONMDRN-VIZOYTHASA-N	310.831	3.644	50	40	DHGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccco2)cc1Cl	409020191	MPKOBODNMGKFER-IPHDDYSGSA-N	320.776	3.874	50	40	DHGB	
Cn1cc(C(=O)N/N=C/c2cccc(Cl)c2)c2ccccc21	524389	HDQHBYDZYNHXDN-VXLYETTFSA-N	311.772	3.596	50	40	DHGB	
Cn1c(/C(C#N)=C\C=C\c2ccco2)nnc1-c1ccccc1	58230481	DOEFRBWDDQRNES-QTJUQDGQSA-N	302.337	3.695	50	40	DHGB	
COc1c(/C=N/NC(=O)c2ccccc2)sc2ccccc12	266495	SDCAJJVSLWHTCY-WOJGMQOQSA-N	310.378	3.674	50	40	DHGB	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	4102992	NQLGNUDZYAUBPL-AXAPSJFSSA-N	320.421	3.588	50	40	DHGB	
COc1cc(OC)cc(C(=O)NN=C2CCCCCCC2)c1	5512258	JAXNQTLXQPXCQG-UHFFFAOYSA-N	304.390	3.534	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC(C)C)c2C)cc1	8129000	WKAXCSPGIATVLR-UDWIEESQSA-N	311.429	3.899	50	40	DHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O	15219909	IBRAKCNESKWENZ-GDNBJRDFSA-N	322.364	3.645	50	40	DHGB	
C/C(=N/NC(=O)c1ccccc1O)c1cccc2ccccc12	33329019	VEUQJLVCLLLDPF-MOSHPQCFSA-N	304.349	3.699	50	40	DHGB	
CN(Cc1ccc(F)cc1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	72242696	LKXFFZYVQDBMPJ-RQZCQDPDSA-N	311.316	3.730	50	40	DHGB	
CC(C)(C)OC(=O)n1ncc2c(CBr)cccc21	98181268	IJOOCNZMOYZGFO-UHFFFAOYSA-N	311.179	3.714	50	40	DHGB	
N#C/C(=C/c1cn(CCC(N)=O)c2ccccc12)c1ccccc1	409359762	BWDOMTGXEHXXQD-VBKFSLOCSA-N	315.376	3.581	50	40	DHGB	
CCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1614613	YHVWFMWREZSBEW-TVQRCGJNSA-N	301.180	3.666	50	40	DHGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccccc2)cc1	1319245	LNIKXMLEJDPKHS-NPRIEWAGSA-N	310.397	3.729	50	40	DHGB	
O=C(O/N=C(/CBr)c1ccccc1)c1ccccc1	5048960	SOJWATNXEMEGSV-VKAVYKQESA-N	318.170	3.643	50	40	DHGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C	5069115	GDCRPORHGDSHSB-GHRIWEEISA-N	316.360	3.553	50	40	DHGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)C(C#N)=C(O)O2	33743093	LLZIPIDMCVIHFO-INIZCTEOSA-N	319.320	3.591	50	40	DHGB	
CC[C@@H](I)CC(F)(F)C(F)(F)F	98210379	WIDUQGXFQBTUKZ-SCSAIBSYSA-N	302.024	3.788	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	333648	VFPPXAVWDBSXAK-CQSZACIVSA-N	323.179	3.664	50	40	DHGB	
COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1	494744	PDCXWLQUSSXHKU-MRXNPFEDSA-N	312.756	3.567	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1	4587747	DAUZENYQSSSBNF-GZTJUZNOSA-N	317.186	3.603	50	40	DHGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(O)c1	33718526	UVLCDXZDOOVNDR-ZROIWOOFSA-N	302.333	3.972	50	40	DHGB	
COc1ccc([C@H]2CC(O)=C(C#N)c3nc4ccccc4n32)cc1	102930744	WNHYYKIXRIZHJW-QGZVFWFLSA-N	317.348	3.831	50	40	DHGB	
COc1cc(C2=CC(=C(C#N)C#N)c3ccccc3O2)ccc1O	151432	FRVLGELUYXKBJI-UHFFFAOYSA-N	316.316	3.635	50	40	DHGB	
O=C(N/N=C/C(Cl)=C/c1ccccc1)c1ccccc1F	3209673	WRHLHAFNZXETOG-ZTPOPNGFSA-N	302.736	3.821	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	3570569	NQRUMLJYFGGMIF-JLHYYAGUSA-N	312.756	3.894	50	40	DHGB	
CC1=CC[C@@H](/C=N/NC(=O)COc2ccc(Cl)c(C)c2)CC1	4132162	RMQKUIMGRWOJCL-LEBHLANCSA-N	320.820	3.876	50	40	DHGB	
N#CC(C#N)=C(C#N)Nc1ccc(OCc2ccccc2)cc1	101644739	BZZVBSNEMQHMCV-UHFFFAOYSA-N	300.321	3.502	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1	245226871	PVITVAVLXUKEFR-OQMXTINXSA-N	314.429	3.752	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc1	15221307	PVITVAVLXUKEFR-LMINJKKQSA-N	314.429	3.752	50	40	DHGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc(Cl)c1	39246203	JAGDUVAYGQPREE-JAIQZWGSSA-N	324.767	3.963	50	40	DHGB	
Cc1ccc(/C(=N/NC(=O)c2ccccc2)C(F)(F)F)cc1	98087263	UUBAJCNMSQRXFI-ZHZULCJRSA-N	306.287	3.691	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])C1	100006867	OEDXRDCKAVHCBS-ZLMULJHYSA-N	313.357	3.613	50	40	DHGB	
Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	138571629	NFEPHDORUJGJOX-JAIQZWGSSA-N	317.348	3.688	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223487640	FLSCOZAZUPUHBN-SXGWCWSVSA-N	323.440	3.750	50	40	DHGB	
CC(/C=N/NC(=O)COc1ccccc1C)=C\c1ccccc1	3027317	PPJDYTPANWXMFN-HIBZGYDWSA-N	308.381	3.579	50	40	DHGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccc(Br)cc1	5159077	UDRNKRJURYVQIM-OIRDJALBSA-N	309.207	3.745	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1	5721024	NHLQBOVYQWRPRP-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
C[C@H]1CCCN(CP(=O)(c2ccccc2)c2ccccc2)C1	8585926	DXJILMRWUVSOTI-KRWDZBQOSA-N	313.381	3.690	50	40	DHGB	in-vitro
N#CC(C#N)=CNC[C@@H](c1cccs1)c1c[nH]c2ccccc12	13143106	JXRGVTBBOOMKBS-MRXNPFEDSA-N	318.405	3.882	50	40	DHGB	
Cc1nn(C)c(C)c1NC(=O)CCCC[C@@H]1CCSS1	41973755	VIUDTQIBXFTOSY-GFCCVEGCSA-N	313.492	3.690	50	40	DHGB	biogenic
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(F)cc1	58915749	APSSRDHHGIJFBS-HCZVKUGISA-N	316.401	3.847	50	40	DHGB	
CSc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)s1	585079746	BDDLRRJLDPBZPO-PKNBQFBNSA-N	316.455	3.852	50	40	DHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccs1	313880	JJYZHTJGPXQXNS-HMHNVIDESA-N	304.440	3.520	50	40	DHGB	
ClCCN(CCCl)c1cccc(CN2CCCC2)c1	1763127	CFVZJCLXZGAURE-UHFFFAOYSA-N	301.261	3.566	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)NN=C2CCCCC2)cc1	5119662	IPEFIWRFTYNJNL-UHFFFAOYSA-N	302.418	3.799	50	40	DHGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1	7893846	MGVZFNJBKHOZNP-XDHOZWIPSA-N	314.772	3.669	50	40	DHGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cl)cc1	13964447	IPAUMSQKBXLIJN-JAIQZWGSSA-N	324.767	3.963	50	40	DHGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccccc1Cl	33795542	SIBWDURRJAQUGM-CQSZACIVSA-N	319.744	3.584	50	40	DHGB	
COCCn1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C	408541766	FSYSUNJYTQQKAU-WQRHYEAKSA-N	324.380	3.514	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C(\C)c2ccc(CC)cc2)cc1	409363189	KDNYSNURLLYVOL-RCCKNPSSSA-N	308.425	3.894	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1	4722833	FOMPMZDNACHRSC-GDNBJRDFSA-N	322.364	3.509	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C	6539514	DQABRAFWARXMCK-OHASWFSBSA-N	312.413	3.687	50	40	DHGB	
CCN(NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1	8050828	IOEFGJWLKOTHJR-UHFFFAOYSA-N	307.397	3.577	50	40	DHGB	
O=C(CCl)Nc1cc(C2CCCC2)nn1-c1ccccc1	12505041	ZGFHEBMRUAQICK-UHFFFAOYSA-N	303.793	3.707	50	40	DHGB	in-vitro
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1cccnc1	20243995	LEJIHYBCZPVZLC-FYJGNVAPSA-N	317.348	3.638	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1O	24362566	WYYBKKHCPYUFQW-IZZDOVSWSA-N	320.270	3.879	50	40	DHGB	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	96669619	COOJGFHVDYGFRY-WJDWOHSUSA-N	306.365	3.786	50	40	DHGB	
C[C@@H]1CCC2=C(c3ccccc3)NC(=C(C#N)C#N)C(C#N)=C2C1	102413677	BOESPVJHXGDSIO-CYBMUJFWSA-N	312.376	3.942	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2	3909348	GNLFWYYULUDWQX-VCHYOVAHSA-N	302.443	3.723	50	40	DHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	4544424	ARJRIODXTMVTTN-FWIJXGJZSA-N	302.805	3.942	50	40	DHGB	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	13116433	NQLGNUDZYAUBPL-KFNAQCHYSA-N	320.421	3.588	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC	33909064	DGGZWNJRURSVPI-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
CCc1ccc(O)c(P(=O)(c2ccccc2)c2ccccc2)c1	97957221	FXSZBWVYOUFGOX-UHFFFAOYSA-N	322.344	3.594	50	40	DHGB	
CC(=O)Oc1cccc(C(=O)CCCCCBr)c1	575361657	CLABBBNOSPLPJW-UHFFFAOYSA-N	313.191	3.750	50	40	DHGB	
O[C@@]1(c2ccccc2)c2ccccc2CC[C@H]1Br	1685762	NLBFMLNSNADFLQ-CVEARBPZSA-N	303.199	3.632	50	40	DHGB	
Cc1ccc2nc(NNC(=O)c3cccc(F)c3)sc2c1	4121378	NNVPHATUWZNWFT-UHFFFAOYSA-N	301.346	3.501	50	40	DHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	4544410	XQDJINDYSLAXCR-XLFIVMGGSA-N	318.804	3.647	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1Cl	5678888	BGWMURABJURFTB-QGMBQPNBSA-N	311.143	3.896	50	40	DHGB	
Cc1n[nH]c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=CO2	6694216	OJVUFHXXWYGQEP-CYBMUJFWSA-N	305.259	3.669	50	40	DHGB	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccccc1OCC#N	44028370	AMYVRTHUBMLQLJ-GXDHUFHOSA-N	308.362	3.749	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)[C@@H](C)Sc1ccccc1	58915782	NUXAQUMKYIRKDL-HMHNVIDESA-N	304.440	3.687	50	40	DHGB	
CC(C)c1cccc(N(Cc2ccncc2)C(=O)CCl)c1	199755652	QADDXSMFTPUSQJ-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1	445297	JPNBBKOBVSIEOD-XFXZXTDPSA-N	305.312	3.853	50	40	DHGB	
CCCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2)cc1	5447487	SJISUHJBOMAAFG-KGENOOAVSA-N	323.396	3.579	50	40	DHGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/C=C/c1ccccc1	5772402	NJPGCXALJZTFET-XZHCKZKCSA-N	303.365	3.526	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1	16045124	XHLBOWNGFFGZED-DEDYPNTBSA-N	310.397	3.844	50	40	DHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	408819591	ZMXBGDHTKNAGHK-NTCAYCPXSA-N	322.364	3.727	50	40	DHGB	
CC(C)n1cc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc21	409368301	XCZVIHNSTQNQJS-RVDMUPIBSA-N	307.397	3.752	50	40	DHGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)C(=O)c1ccccc1	3897816	RFIUGDGFTQKRBC-ZDUSSCGKSA-N	308.164	3.769	50	40	DHGB	
O=C(COc1ccc(-c2ccccc2)cc1)NN=C1CCCC1	4699703	QRMFAFOZSUAPQS-UHFFFAOYSA-N	308.381	3.779	50	40	DHGB	
N#C/C(=C1/C(=O)Nc2ccc(F)cc21)c1nc2ccccc2s1	6962296	ONLNYMOONIWTRZ-PTNGSMBKSA-N	321.336	3.822	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1C	14923102	UETOSDSBUOKXOA-ATVHPVEESA-N	319.408	3.915	50	40	DHGB	
C[C@H]1C[C@@H](C)CN(c2ccc(NC(=O)CCl)cc2Cl)C1	34776657	UPWGHCHSPDNQHJ-PHIMTYICSA-N	315.244	4.000	50	40	DHGB	
C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=O)CCl)cc2Cl)C1	34776663	UPWGHCHSPDNQHJ-GHMZBOCLSA-N	315.244	4.000	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/C(C)=C/c2ccco2)cc1	2754160	RPUBJESXJFFJMS-QQWZAAIYSA-N	312.369	3.888	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1OC	44028505	ZBQGGCLZLZDAQH-UKTHLTGXSA-N	313.378	3.864	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(F)c1F)c1ccccc1	78560567	WCXXEZORBZYORB-GQVHDAKQSA-N	312.319	3.749	50	40	DHGB	
CCCCCCCCS(=O)(=O)CCCCBr	100245920	YZMLLHSHJUOIMX-UHFFFAOYSA-N	313.301	3.937	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2cccc(C#N)c2)cc1[N+](=O)[O-]	408569008	XYEDMNYAYVHRJN-CHHVJCJISA-N	305.293	3.539	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1O	408896124	MZULQUNFWRIJDV-XNTDXEJSSA-N	322.364	3.509	50	40	DHGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)NC1CCCCC1	573835	LNZYCFVQDDCQPU-PEZBUJJGSA-N	319.408	3.833	50	40	DHGB	
CC(=O)N1c2ccccc2Oc2ccc(C(=O)CCl)cc21	72207107	VIEPOUNXIRBVLO-UHFFFAOYSA-N	301.729	3.898	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	5379890	SZLXEDIOYGELNS-DEDYPNTBSA-N	310.397	3.757	50	40	DHGB	
C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	60216909	WAYJZBKPYHUYKH-HTDHLNIYSA-N	311.425	3.693	50	40	DHGB	biogenic
C/C(N)=C(\C#N)c1csc(Nc2ccc(F)c(Cl)c2)n1	104843550	NRQAPTFNZOLMQR-CLFYSBASSA-N	308.769	3.892	50	40	DHGB	
NN(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1	1711838	VVRYWITYUKQGTI-UHFFFAOYSA-N	302.377	3.725	50	40	DHGB	
Cc1csc(/C(C#N)=C/c2cnn(Cc3ccccc3)c2)n1	8200294	XOSCHNDCYPDCMJ-FRKPEAEDSA-N	306.394	3.761	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1	13950296	DZIJJAQLJGKJCC-QGMBQPNBSA-N	311.143	3.896	50	40	DHGB	
CCN1c2ccccc2C=C[C@@H]1C(=C(C#N)C#N)C(F)(F)F	16681647	DMTPARLCHQMTHK-CQSZACIVSA-N	303.287	3.814	50	40	DHGB	
CC(/C=N\NC(=O)COc1ccc(C)cc1C)=C\c1ccccc1	30843139	NAJDNRHWJXDYGF-JVAASGMSSA-N	322.408	3.888	50	40	DHGB	
O=C(NN(C(=O)c1ccccc1)c1cccs1)c1ccccc1	1682780	SDHBFEBYYKZBDQ-UHFFFAOYSA-N	322.389	3.740	50	40	DHGB	
CCCCCC[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	2474153	FGJJKXBYFPUSOD-GFCCVEGCSA-N	324.380	3.933	50	40	DHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccsc1	4651648	NAJPCFFHBJALKS-VCHYOVAHSA-N	302.443	3.805	50	40	DHGB	
C/C(=N\NC(=O)CC(C)C)c1ccc(N2CCCCC2)cc1	5522200	IDNCAOFUIZKWIP-XDJHFCHBSA-N	301.434	3.563	50	40	DHGB	
Cc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1	409240178	FTOJPIKGUBQMJR-RGEXLXHISA-N	304.393	3.651	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1Br	4595228	FHVGJKHYXYNWHN-DTSGLJOZSA-N	321.218	3.601	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)cc(C)c1	5724833	HVNMKGXDEDLUAV-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
Cc1cc2sc(NC(=O)CCl)nc2cc1Br	20131763	QTPWLSXSNQXRFA-UHFFFAOYSA-N	319.611	3.545	50	40	DHGB	
Cc1ccc(C(=O)[C@@H](Br)CBr)c(C)c1	307245344	MFTBLZYSJPEWLR-JTQLQIEISA-N	320.024	3.645	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(C)c1	409257348	QGGNBLSTZGAHBX-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	60463	PIUQRUJPYPGFIA-DJKKODMXSA-N	322.195	3.556	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1	333645	KGXZLQRGNGWNPW-CQSZACIVSA-N	323.179	3.664	50	40	DHGB	
Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cccc(Cl)c1	369722	BQZRAOUTQDDJHV-MDBUFAAASA-N	315.804	3.599	50	40	DHGB	
C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)C1(O)C#N	97949707	HTJJHIYXGFLKJV-AIVWAMIVSA-N	306.409	3.599	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C	408871267	YFZWCHMPTIUIIU-QLYNWLFQSA-N	309.413	3.753	50	40	DHGB	
N#C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCl	2319643	HWMKHSIUXUVDCP-KRWDZBQOSA-N	312.800	3.909	50	40	DHGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2)o1	4903334	QMLWJZIWTZUJJJ-CFHVRRAGSA-N	317.348	3.820	50	40	DHGB	
COc1ccc(CC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	104019194	GKUVAPOOPYNVNM-JXAWBTAJSA-N	322.389	3.760	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)c1	71265	VJFXNIJTOMFQJI-SFQUDFHCSA-N	319.408	3.915	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2Cl)cc1	165922	KMLJKOCQWVZTRZ-XNTDXEJSSA-N	317.797	3.987	50	40	DHGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(C3CC3)cs2)cc1	16890446	UTXCKADWTLZPRH-UKTHLTGXSA-N	324.409	3.955	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C	223229481	PRLWFVHHHDQMEW-HOCLYGCPSA-N	317.477	3.636	50	40	DHGB	
C/C(=N/NC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1	5025101	MPAQGIFPQORSKD-NVMNQCDNSA-N	308.168	3.542	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(CC)cc2)cc1	5477235	JGEQCLRQQGMLQB-XSFVSMFZSA-N	310.397	3.802	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)C1	12403604	STWVLHHEKSOYEN-LTRYHMRKSA-N	313.357	3.613	50	40	DHGB	
CCOC(=O)N(/N=C1\C[C@@H]2CC[C@]1(C)C2(C)C)C(=O)OCC	100350114	DZXVJZZRYADWSG-FAMIKWFESA-N	310.394	3.804	50	40	DHGB	
Cc1ccnc(N(CCBr)C(=O)OC(C)(C)C)c1	228967486	CPAUPJLYCKGWSD-UHFFFAOYSA-N	315.211	3.526	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	408807784	LAOXLDLUUGGPBB-CRRKTRLDSA-N	321.424	3.916	50	40	DHGB	
CC(C)CO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1734246	ZLVMDWQCFMCCCO-QMTHXVAHSA-N	315.207	3.912	50	40	DHGB	in-vitro
O=C(CNc1cccc(C(F)(F)F)c1)NN=C1CCCCC1	5657917	ZCHWVXXJZVEPFV-UHFFFAOYSA-N	313.323	3.554	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(C)C)cc1	408837820	OFUXZIADRARMSG-UDWIEESQSA-N	310.397	3.794	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	44022324	JJSDNIJFWNXODW-LFIBNONCSA-N	306.365	3.939	50	40	DHGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c(Cl)c2)o1	252495851	PCUXIRDWKZFOHX-GHXNOFRVSA-N	301.729	3.988	50	40	DHGB	
COC(=O)c1sc2cccc(F)c2c1CBr	58029548	ZLVITCPACQIDNY-UHFFFAOYSA-N	303.152	3.722	50	40	DHGB	
O=CN(SSN(C=O)C1CCCCC1)C1CCCCC1	1558188	ONLWVPBLICTBGL-UHFFFAOYSA-N	316.492	3.780	50	40	DHGB	
COc1cccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1	5720961	SALIZIKJDUHUEA-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cccs2)cc1	216064234	FFBMDHDZRYYTAH-SFQUDFHCSA-N	302.399	3.691	50	40	DHGB	
CC(C)Oc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	409123847	ILEANEQPOACTMJ-XSFVSMFZSA-N	310.397	3.557	50	40	DHGB	
N#C/C(=C\Nc1ccccc1C(=O)O)c1nc2ccccc2s1	5023913	ORESVFFMYVWZLG-ZHACJKMWSA-N	321.361	3.971	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c(C)c1	15219561	OYSBSXXAWJAIHD-GDNBJRDFSA-N	321.336	3.757	50	40	DHGB	
O=C(/C=C\c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1	103590888	YAXZIBZJVNZTDY-KMKOMSMNSA-N	303.701	3.867	50	40	DHGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1Br	242340	VAEKTBGULRHISD-CSKARUKUSA-N	317.142	3.588	50	40	DHGB	
CCOC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1	264083	UTFWZCJKAINQSB-UHFFFAOYSA-N	319.364	3.701	50	40	DHGB	
O=C(N/N=C\c1ccc(Cl)s1)c1cc2ccccc2o1	408820753	YLAUMDMGAXEQHX-PXNMLYILSA-N	304.758	3.912	50	40	DHGB	
COc1cc(F)c(F)cc1C(=O)CCCCBr	575358134	KYUHDRSPJTYNDD-UHFFFAOYSA-N	307.134	3.721	50	40	DHGB	
C/C(=N\NC(=O)CNc1cccc(Cl)c1C)c1cccs1	358338	JWPYJBSRYMQHIX-WOJGMQOQSA-N	321.833	3.662	50	40	DHGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1OC	2871880	XCWCCVCRLHPMDN-LFIBNONCSA-N	307.324	3.910	50	40	DHGB	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1[C@H]1C=CCCC1	8579886	CSUSGCVWHUAESF-GXFFZTMASA-N	324.409	3.664	50	40	DHGB	
CC(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260565409	ILUILPWRRDNKEQ-XLTHYULKSA-N	315.461	3.966	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3)cc2c1	409186501	CXEPMDWCTGLBJN-UNOMPAQXSA-N	308.337	3.595	50	40	DHGB	
C[C@H](C(=O)NCCCl)c1ccc(-c2ccccc2)c(F)c1	68605441	HHJCLDWGIONVFE-LBPRGKRZSA-N	305.780	3.951	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	6950098	WQEIMAVVGKUAHG-LFIBNONCSA-N	306.365	3.939	50	40	DHGB	
N#C/C(=C\c1ccco1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151894	XLWNLKYNUXXVHU-DHZHZOJOSA-N	323.377	3.637	50	40	DHGB	
N#C/C(=C\c1csc2ccccc12)C(=O)NCc1ccco1	73692768	ZXBYCUGXKOYBQU-XYOKQWHBSA-N	308.362	3.718	50	40	DHGB	
O=CC(C=O)=C1C=C(c2ccccc2)OC(c2ccccc2)=C1	230639851	IRGJIAOWFLFDML-UHFFFAOYSA-N	302.329	3.793	50	40	DHGB	
CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)Cl)o2)c1	8729561	IBCFVRJXKPRIER-VQHVLOKHSA-N	304.729	3.902	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1	169885978	RJBRTMJVYMKYIG-NDENLUEZSA-N	305.381	3.559	50	40	DHGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OC	212796307	RIPQYQCWMVDOBF-PTNGSMBKSA-N	322.364	3.640	50	40	DHGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1ccc(C)cc1	408600520	CJTFDKYRDLGOBA-NPRIEWAGSA-N	310.397	3.936	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1	408737109	JNBWOQQQXSTVFR-RCCKNPSSSA-N	324.424	3.867	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1	482746	XSUCFQCWTIUDPM-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
O=C(Cl)c1cc(Br)cc(Br)c1F	2506853	QJGWDMJYFVQSSW-UHFFFAOYSA-N	316.351	3.730	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccn2)c(C)n1CC(C)C	5934737	SFPBHYQGVWOIFK-LICLKQGHSA-N	322.412	3.702	50	40	DHGB	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1[C@@H]1C=CCCC1	8579889	CSUSGCVWHUAESF-ZWNOBZJWSA-N	324.409	3.664	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	20926518	BGUCGAOUTSWJFW-CJLVFECKSA-N	321.355	3.918	50	40	DHGB	
O=C(Cl)CCc1ccc(OC(F)F)cc1OC(F)F	78406363	PLTVLZVGLSNBDR-UHFFFAOYSA-N	300.635	3.587	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	12367909	AYTXPCWHQHUZSD-GDNBJRDFSA-N	307.309	3.617	50	40	DHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccccc1O	15226210	BYODJGIIXJQXSM-XSFVSMFZSA-N	310.397	3.866	50	40	DHGB	
ClCCN(CCCl)Cc1ccc(Br)cc1	95832221	OABJAIADVRIARX-UHFFFAOYSA-N	311.050	3.729	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@@H](C)O3)cc1	408710864	QOZUCPZUNGYTRB-RQNDZEIBSA-N	318.376	3.864	50	40	DHGB	
Cc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)OCO2	408986342	PUYSVNJEDIYNBL-NTUHNPAUSA-N	303.321	3.664	50	40	DHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccc(Cl)cc2)cc1	409073916	UNMDPBAFLTTZAH-VIWQMLNCSA-N	314.772	3.512	50	40	DHGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(O)c(O)c3)[nH]c2cc1C	105773377	CFCORMWYTVDPQT-NTUHNPAUSA-N	305.337	3.655	50	40	DHGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C\c1ccccc1	28632138	OIISYGKDLRWAOF-BKUYFWCQSA-N	324.424	3.822	50	40	DHGB	
CCN(CC)CCOC(=O)c1ccc(C(Cl)Cl)cc1	1758044	ARGCLKFVGZDICA-UHFFFAOYSA-N	304.217	3.661	50	40	DHGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1	4121411	WNIMUYPJAPBAEA-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)c2ccccc12	4506782	MSLKPZGHALTVDE-RVDMUPIBSA-N	308.381	3.670	50	40	DHGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccc2ccccc2c1	5024849	URSUFAVNOCRCLT-UYRXBGFRSA-N	308.406	3.984	50	40	DHGB	
CCOC(=O)/C(C#N)=C\C=C(\C=C/N(C)CC)c1ccccc1	35188504	VMWVZRGSUONFGR-HPDWJMOQSA-N	310.397	3.548	50	40	DHGB	
CCc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1	148229	MKGFLTKCLXEDID-UHFFFAOYSA-N	302.333	3.518	50	40	DHGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1	478866	CIKIPBSGEKXDCN-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	
Cc1ccc(OCCOc2ccccc2C=C(C#N)C#N)cc1	4182035	VSURQHCKBHGDJT-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
Cc1cc(OCC(=O)N/N=C/c2sccc2C)ccc1Cl	5982085	DZAWJOVAOUOLBV-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
CCCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812467	PNUNSGHPKNUOPG-CIAFOILYSA-N	323.371	3.954	50	40	DHGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	8916574	VXJYAXURPZFVJZ-GOSISDBHSA-N	320.392	3.908	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccccc1Cl	30791390	MAGDHGUWKIZCOK-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(F)c1	1060750	JVPUKWFRZZGXCL-UUILKARUSA-N	312.256	3.527	50	40	DHGB	
O=C(Cl)/C=C(\c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	1600283	UQTJNYJQEYEOIN-WSYSLRRZSA-N	301.729	3.853	50	40	DHGB	
C#CCOc1ccc(/C=C(\C#N)c2cccc(F)c2)cc1OC	2877551	HELZTMGZRPBOQE-MHWRWJLKSA-N	307.324	3.910	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(OC(C)=O)cc1	5810661	PGRREVHWRZTBPS-GDNBJRDFSA-N	323.285	3.742	50	40	DHGB	
O=C(N/N=C(\c1ccccc1)C1(O)CCCCC1)c1ccccc1	5899091	QBLPHRVFIOUTJQ-DYTRJAOYSA-N	322.408	3.516	50	40	DHGB	
CCCCCOc1ccccc1/C=N/NC(=O)Cc1ccccc1	408737242	AUMSULOIMLDKFE-LTGZKZEYSA-N	324.424	3.948	50	40	DHGB	
COc1cc(C(=O)CCCCCBr)ccc1F	575357583	MLGRGKMELCMYLW-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
O=C(CCl)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	68583497	XDOHVAFWTGPZAS-OAHLLOKOSA-N	312.800	3.655	50	40	DHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(Cl)cc2)cc1	8515367	DOWPGOZLZFQRMD-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC)cc1	5653004	XSJKDLYYYBWTHB-NTCAYCPXSA-N	322.364	3.640	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl	36174653	KWIDMFBACUZLTF-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
BrC1CN(C(c2ccccc2)c2ccccc2)C1	44068895	PVINDRYACMYZAW-UHFFFAOYSA-N	302.215	3.855	50	40	DHGB	
CC(C)(C)[C@H](Br)C(=O)NCc1cc2ccccc2o1	96004300	ZCVRGWNKVQHSFM-CYBMUJFWSA-N	324.218	3.859	50	40	DHGB	
C=CCc1cccc(/C=N/NC(=O)c2cc3ccccc3o2)c1O	2741876	UWUQLIURGIHQAG-UDWIEESQSA-N	320.348	3.631	50	40	DHGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/C=C/c1ccco1	3092434	MGLLFHOUUSYMKC-VRHOXNGFSA-N	319.364	3.660	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1O	76540384	ZURQXSULUHPMAD-RIYZIHGNSA-N	319.364	3.958	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(C)o1)c1ccccc1Br	408957977	WSVCLQQJGARWLL-YBEGLDIGSA-N	321.174	3.505	50	40	DHGB	
C/C(=N/NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(Cl)cc1	5685632	ATPNSJUBZJIWMS-ZDLGFXPLSA-N	318.808	3.515	50	40	DHGB	
N#C/C(=C/c1ccoc1)C(=O)Nc1cccc(C(F)(F)F)c1	33310915	RHTNWVRQYSSLRG-WDZFZDKYSA-N	306.243	3.844	50	40	DHGB	
CSc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1	58915716	SKDLYAWXNXMDNL-GZTJUZNOSA-N	316.451	3.651	50	40	DHGB	
N#CC(C#N)=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	167094133	GUWBVLBIDCJAFJ-UHFFFAOYSA-N	305.293	3.604	50	40	DHGB	
O=C(Cl)c1cc(F)c(C(F)(F)F)cc1Br	575689879	KDBNIOYYKNTGEV-UHFFFAOYSA-N	305.452	3.986	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc2[nH]ccc2c1	236507	BSYZPAGUPPXMEA-JAIQZWGSSA-N	311.772	3.975	50	40	DHGB	
CCOC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2ccccc21	4990931	FCBVULRBGFKGSC-QGZVFWFLSA-N	304.349	3.813	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(F)F	6823197	QLKGDBWBAOTOIP-YRNVUSSQSA-N	309.312	3.819	50	40	DHGB	
CC(C)N(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CCl	79393740	YUIFXULHSNAQOO-KRWDZBQOSA-N	322.880	3.517	50	40	DHGB	
Cc1cccc(C(=O)N[C@@H](Cl)C(Cl)(Cl)Cl)c1	82238022	IZRYMPRXFVMPTN-SECBINFHSA-N	301.000	3.660	50	40	DHGB	
COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CCl	216859448	QMTSSWVXPAGSSR-UHFFFAOYSA-N	316.744	3.681	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc(O)c3cc(F)ccc3n2)cc1	5072653	GDNKPIFQBOFEOM-XYOKQWHBSA-N	321.311	3.547	50	40	DHGB	
BrCc1cc(Br)c2ncccc2c1	34579860	VYPSFBZHLCVORU-UHFFFAOYSA-N	300.981	3.892	50	40	DHGB	
COc1cc(F)c(C(=O)CCCCBr)cc1F	575361759	FLJPKGTVHWOSEJ-UHFFFAOYSA-N	307.134	3.721	50	40	DHGB	
COc1ccc2c(c1)OCC(/C=C(\C#N)c1nc(C)cs1)=C2	14177931	FHIWSKIKZHOGBX-MKMNVTDBSA-N	310.378	3.843	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1O	408742583	BBPBWQXJKJKXNJ-ATVHPVEESA-N	318.376	3.975	50	40	DHGB	
C/C(CC(C)C)=N/NC(=O)CCC(=O)Nc1cc(C)ccc1C	4523937	GTMKMRCJLDLUDZ-HKWRFOASSA-N	317.433	3.560	50	40	DHGB	
CCCCCn1nc(C)c(/C=N\NC(=O)c2cccs2)c1C	4719734	HYLOTRATWGBRGK-BOPFTXTBSA-N	318.446	3.516	50	40	DHGB	
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)cc1	59249767	XCZJXLXEPHKQJU-ZHZULCJRSA-N	318.380	3.941	50	40	DHGB	
C[C@@H]1Cc2ccccc2C2=C3CC=CC[C@@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]21	104126969	ITRZKBPBLURWNH-LOMDKKIESA-N	320.388	3.544	50	40	DHGB	
CCOc1ccccc1/C=N/NC(=O)/C=C/c1ccc(C)cc1	409054803	BQZFXCWSZQWADQ-VIWRHKKTSA-N	308.381	3.557	50	40	DHGB	
C[C@]1(CCl)Nc2ccccc2C(=O)N1c1ccc(F)cc1	152620	AEYSGVWOMBZHCE-INIZCTEOSA-N	304.752	3.853	50	40	DHGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(Cl)cc1	59473007	HBYVXMYTYYPLIC-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
O=C(CBr)c1ccc(Br)c(Cl)c1	84193140	IBQWUOVRWLPTKR-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
OB(O)c1c(-c2ccc(-c3ccccc3)cc2)ccc2ccccc12	169748236	JGCLFQFZCRADJS-UHFFFAOYSA-N	324.188	3.854	50	40	DHGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408568633	VPQSYKGTHCBNIF-JYRVWZFOSA-N	321.311	3.553	50	40	DHGB	
Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	561603	FGPLIMIEMVBWDX-VXLYETTFSA-N	311.772	3.596	50	40	DHGB	
O=C(C[C@H](Br)C(=O)c1ccccc1)c1ccccc1	6514577	POAJBEKARGGZCV-AWEZNQCLSA-N	317.182	3.906	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1	20197533	RKYUCLNETTZNTN-KEAYEENMSA-N	308.381	3.904	50	40	DHGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccc(F)c1)C2	36239815	MOZFUEXCDVKWPV-SIMNMAIHSA-N	318.392	3.523	50	40	DHGB	
CCCCCCCCCC(=O)NNC(=O)NC1CCCCC1	97941810	VITXZDQXCRRHDX-UHFFFAOYSA-N	311.470	3.790	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	100499815	LEAFVEBNNDDESR-WMHQRMGPSA-N	302.805	3.542	50	40	DHGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	373960	VVCIQNFNIDIRIS-FLIBITNWSA-N	319.286	3.590	50	40	DHGB	
CCCC1CCC(=NNC(=O)CNc2ccc(OC)cc2)CC1	4867531	MWUQKYOVVHSEDE-UHFFFAOYSA-N	317.433	3.570	50	40	DHGB	
C/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc[nH]1	6286554	WPUSIWVUSRIENY-KGENOOAVSA-N	320.396	3.576	50	40	DHGB	
CC1=CC(=C(C#N)C#N)C=C(/C=C\c2ccc(N(C)C)cc2)O1	31334038	YLYPIBBGWLKELC-TWGQIWQCSA-N	303.365	3.927	50	40	DHGB	
Cc1ccc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1	59104713	AECVWSJGCVCUSZ-XSFVSMFZSA-N	322.412	3.751	50	40	DHGB	
O=C(N/N=C/c1ccccc1)C12[C@@H]3CCC[C@@H]1C32c1ccccc1	229823177	HPYLMANWVPBFCV-KNZCGEFNSA-N	316.404	3.505	50	40	DHGB	
Cc1cc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c(C)o1	4575573	ZYDUXIFJSVRYAO-IDUWFGFVSA-N	311.168	3.967	50	40	DHGB	
O=C(CBr)c1cccc(OCc2ccccc2)c1	5933576	GFZOJLIHCWKKPR-UHFFFAOYSA-N	305.171	3.843	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C	223228292	QBRXDODRIDHWQY-MRXNPFEDSA-N	315.461	3.546	50	40	DHGB	
O=C(N/N=C/c1ccco1)C1c2ccccc2Oc2ccccc21	277393	APVAQNPXRAQORM-UDWIEESQSA-N	318.332	3.668	50	40	DHGB	
C[C@@H](CCO)CC[C@H](Br)C(C)(C)Br	1584788	BOMGTQQCFLBAGM-BDAKNGLRSA-N	316.077	3.722	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OC	6645768	DGGZWNJRURSVPI-NTEUORMPSA-N	319.364	3.953	50	40	DHGB	
O=C(CCCCCl)c1ccccc1I	43210711	POYZEAKQODTOMZ-UHFFFAOYSA-N	322.573	3.883	50	40	DHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1	59473782	ZBXXMOHCDRRSFB-VCBXAZPMSA-N	308.790	3.564	50	40	DHGB	
Cc1ccc(N=C2C=C(SC#N)C(=O)C(SC#N)=C2)cc1	97986405	JXLIPUJCMCGCDD-UHFFFAOYSA-N	311.391	3.847	50	40	DHGB	
O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccc(F)cc1	408847939	XCKNPGWEKCIVOH-MOSHPQCFSA-N	322.343	3.772	50	40	DHGB	
COc1cc(OC)cc(C(=O)CCCCCBr)c1	575358106	AYAHHEHKKOPQNL-UHFFFAOYSA-N	315.207	3.842	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1C	2730370	VFBIVZJOHHDRBD-RIYZIHGNSA-N	313.788	3.841	50	40	DHGB	
Cc1nc(-c2ccc(F)cc2)ccc1C(=O)CBr	4290720	SWDUEZIJTGPGNJ-UHFFFAOYSA-N	308.150	3.774	50	40	DHGB	
CC(C)/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	13477402	RBWJKFBVGTZIHP-MPDJFOPNSA-N	306.409	3.967	50	40	DHGB	
CCOC(=O)[C@H](Br)c1cccc(C(F)(F)F)c1	39271924	HIGHVWUDDYUWTR-SECBINFHSA-N	311.097	3.705	50	40	DHGB	
N#C/C(=C\c1ccc(Br)o1)c1nc2ccccc2[nH]1	33927458	MGBZFVQTFRXSPI-VQHVLOKHSA-N	314.142	3.983	50	40	DHGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(C)c1	408762699	QEXGPTDGNQEOHH-WJDWOHSUSA-N	304.349	3.743	50	40	DHGB	
N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1ccsc1	497155	CSRKUFJIAPRYOO-HNNXBMFYSA-N	320.373	3.825	50	40	DHGB	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccsc1	14069217	FSINKKDQANTVFM-UHFFFAOYSA-N	303.774	3.707	50	40	DHGB	
CCn1c2ccccc2c2cc(NC(=O)CSC#N)ccc21	98063977	NLJOGYARHFJHJX-UHFFFAOYSA-N	309.394	3.967	50	40	DHGB	
CC(C)(C)OC(=O)N[C@H]1CC[C@](F)(CBr)CC1	952958978	QMALNSSJLMNOEA-WVSHTKLVSA-N	310.207	3.557	50	40	DHGB	
O=C(N/N=C/c1ccco1)c1ccccc1Nc1ccccc1	5338453	BAHHBYYMLOHZQY-CPNJWEJPSA-N	305.337	3.787	50	40	DHGB	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CC=CCC1	8983970	FCWWKEQRASZNRB-NSHDSACASA-N	301.777	3.688	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc3ccccc3o2)c1	5093252	RIGCMHVGHVZVLA-UKTHLTGXSA-N	306.321	3.909	50	40	DHGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	27018404	JBWQAXTYRMNABX-FOWTUZBSSA-N	324.380	3.682	50	40	DHGB	
N#C/C(=C1\C=C/C(=N/O)C(Br)=C1)c1ccccc1	31717443	TYXFBKRRSUTTPT-VVTAYZPUSA-N	301.143	3.643	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1cccc(F)c1	531896	LGGZDGVQIFXHFQ-MRXNPFEDSA-N	317.323	3.592	50	40	DHGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1	2741764	NRZCFYLKQYXRMG-DEDYPNTBSA-N	320.348	3.762	50	40	DHGB	
CCCc1ccc(/C(C)=N/NC(=O)c2ccc3c(c2)OCO3)cc1	4144528	GNBPLUFTUPCNBW-DEDYPNTBSA-N	324.380	3.522	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccc1	6222740	JSFKRNYMUHUNPP-UDWIEESQSA-N	308.312	3.850	50	40	DHGB	
Cc1cc(C)c(N/C=C2/C(=O)OC(=O)c3ccccc32)c(C)c1	103271408	CSBXPYUANTUYPG-MHWRWJLKSA-N	307.349	3.762	50	40	DHGB	
N#C/C(=C\Nc1ccccc1C(=O)O)c1nc2ccccc2o1	5336017	JIOLADCOYROHSQ-ZHACJKMWSA-N	305.293	3.503	50	40	DHGB	
O=C(NN=C1CCCCCCC1)c1ccc(Br)o1	5677156	KCUWQRABGSHIQA-UHFFFAOYSA-N	313.195	3.872	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc(Cl)cc1	12504668	QAVNFLXPWBXWOQ-JYRVWZFOSA-N	300.745	3.739	50	40	DHGB	
Cc1cc(SC#N)cc(C)c1NC(=O)CC(C)(C)CC(=O)O	12815840	OHCVLFRPJTYZFN-UHFFFAOYSA-N	320.414	3.706	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cc1	32141381	VEIAKYNPIQRNTC-YVLHZVERSA-N	317.186	3.521	50	40	DHGB	
N#CC(C#N)=Cc1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	408994246	YLYFVLYPPVMDDF-UHFFFAOYSA-N	308.322	3.572	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1C	1001139	BXAPYLHBZPXZFY-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1Cl	6899395	HRIBGPFXOLCSHT-VSXNHXORSA-N	302.805	3.942	50	40	DHGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(F)cc2s1	20132282	DIHXJNCXOQANEB-SSDOTTSWSA-N	317.183	3.547	50	40	DHGB	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)NC1CCCCC1	408959777	FSLZLZJGPVADIK-VKAVYKQESA-N	323.440	3.643	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1	2350064	SXJYDTWWOPGZFP-QWVWDTGPSA-N	322.364	3.957	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3o2)cc1OC	5025976	NAIJMNJEEQNSCL-UKTHLTGXSA-N	306.321	3.909	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C	223228106	HBFMSRMPRDLGOF-KRWDZBQOSA-N	315.461	3.546	50	40	DHGB	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21	408814529	POZMZLWBZRKXAZ-RAXLEYEMSA-N	319.339	3.863	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1cccc(Cl)c1	20086155	UHAIKAMECOKRIS-OAHLLOKOSA-N	321.771	3.507	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1	20195026	OIQAPEJTLHMBKP-KGENOOAVSA-N	324.424	3.785	50	40	DHGB	
CCCCC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1	31670250	WIGCHLTYOKXEHA-ZHZULCJRSA-N	310.397	3.906	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(C)c3C)[nH]c2c1	409390563	FHGPPAKJNJFVGZ-ZSOIEALJSA-N	306.369	3.591	50	40	DHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1	567283	VAFQYHWSHDIVLS-HWQJWEFDSA-N	318.829	3.971	50	40	DHGB	
Cc1sc(NC(=O)CCl)nc1-c1cccc(Cl)c1	2569094	FCEXPSXNOYVSIF-UHFFFAOYSA-N	301.198	3.949	50	40	DHGB	
O=C(N[C@@H](Cl)C(=O)c1ccccc1)c1ccc(Cl)cc1	53944038	ZJJKMCUTNWVFLF-CQSZACIVSA-N	308.164	3.518	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)c1	214202025	NLQLLHXTBBOTAJ-MPMPPSQCSA-N	318.376	3.864	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1	409077209	CVJUPRLJEASPJP-NTMALXAHSA-N	318.785	3.737	50	40	DHGB	
O=C(Cl)c1c(F)cc(Br)cc1Br	2506846	JHXLZDKMZOGVLP-UHFFFAOYSA-N	316.351	3.730	50	40	DHGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(Cl)s1	33734076	SDFAIKXFSPHJDL-NVNXTCNLSA-N	309.778	3.566	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc1	100177013	PVITVAVLXUKEFR-UFEWOROSSA-N	314.429	3.752	50	40	DHGB	
O=C(Cl)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1	252507606	WPFBGSKNKSAESV-UHFFFAOYSA-N	302.717	3.668	50	40	DHGB	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)c1	409371582	XHLJURHQBUZKKZ-GDNBJRDFSA-N	306.365	3.863	50	40	DHGB	
Cc1c(Cl)cccc1NC(C#N)=C1C(=O)c2ccccc2C1=O	149276	WICYWKUZSUOVLK-UHFFFAOYSA-N	322.751	3.917	50	40	DHGB	
C/C(=N\NC(=O)c1ccncc1)c1cc(Cl)ccc1Cl	4743967	QATJZDBMVCWBKN-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
C[C@@H]1C/C(=N\NC(=O)COc2cccc(F)c2)CC(C)(C)C1	4979177	AUHRTRFKTCVBHI-WOVJWYHUSA-N	306.381	3.523	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1	20197477	MWPQRYAGNAHGNW-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
O=C(CCl)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1	85344990	NNHCUUMAASNDGP-ZDUSSCGKSA-N	323.179	3.850	50	40	DHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(C)cc1	408812034	MNQQOMKXWOYTOH-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1	408812281	MNSGWLPWBVDDGB-YZQIXXFGSA-N	312.413	3.606	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	3615796	CMUOVAJDGJKXNY-FOWTUZBSSA-N	306.365	3.939	50	40	DHGB	
O=C(COc1ccccc1)N/N=C\c1ccc(Cl)cc1Cl	33329312	HOSPEQYPQQHPSW-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccc1O	15938576	VITLBLSYVUZQNE-NBVRZTHBSA-N	302.761	3.590	50	40	DHGB	
N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@@H]1c1ccsc1	497156	CSRKUFJIAPRYOO-OAHLLOKOSA-N	320.373	3.825	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2Cl)c(C)c1	20194413	JBPAMBHJEVORMI-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C\c1c(Cl)cccc1Cl	33842805	MMIHGTDFUUBKTL-ZDLGFXPLSA-N	307.180	3.686	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1cc2c(ccc3ccccc32)o1	43971477	JKJJCXMTRHUMBR-XNHPLOEXSA-N	322.364	3.605	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1ccc(F)cc1Cl	228978868	BISYKUYLBJQDIQ-UHFFFAOYSA-N	320.220	3.996	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1O	408567699	PIFYQEOGFJVARC-GHXNOFRVSA-N	323.327	3.870	50	40	DHGB	
CC(/C=C/c1ccco1)=N\NC(=O)c1cc2ccccc2cc1O	4739495	QWMRLDJIPIDGSS-QEXYRNNXSA-N	320.348	3.958	50	40	DHGB	
CCC1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1	12419120	OVYCFSZZKFYPLE-UHFFFAOYSA-N	314.429	3.940	50	40	DHGB	
CSC(SC)=C(C#N)c1nc(-c2ccc(C)cc2)no1	57354747	VVAKMNKFGDCSOI-UHFFFAOYSA-N	303.412	3.963	50	40	DHGB	
Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1cccc(Cl)c1	369723	BQZRAOUTQDDJHV-OTGIAGGSSA-N	315.804	3.599	50	40	DHGB	
C[C@@H]1C[C@@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@H]1CC[C@@H]2C1	4837576	SVRPOTXJQJBPHV-VIYHETNHSA-N	312.413	3.570	50	40	DHGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc2ccccc2cc1O	5772404	RHNYJAALUNAMNK-XZHCKZKCSA-N	316.360	3.974	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(O)c1O	6646612	FQVVDTRFYKDWEU-IZZDOVSWSA-N	324.361	3.780	50	40	DHGB	
O=[N+]([O-])c1ccc2c(c1)nc(CCl)n2-c1ccc(F)cc1	9219662	DRRCAPFWHPHTRD-UHFFFAOYSA-N	305.696	3.812	50	40	DHGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)c1ccccn1	16695105	UNLSBEIJUOOJRK-FOWTUZBSSA-N	300.365	3.948	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)o1	409042599	YOBSQIHLNZHORP-VXLYETTFSA-N	312.300	3.751	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)cc1C	409179429	NGSZCOLYBQJZIK-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
Cc1ccc(OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	103422243	AEDOOKDZFUBLFV-JXAWBTAJSA-N	322.389	3.896	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1O	4454005	GIAGMVUHDSEPRQ-MDWZMJQESA-N	305.337	3.650	50	40	DHGB	
C/C(=C(/C#N)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1	4663787	AMUALGMLULQGBQ-SDNWHVSQSA-N	304.309	3.925	50	40	DHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1Cl	6900942	HRIBGPFXOLCSHT-FWIJXGJZSA-N	302.805	3.942	50	40	DHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1cc(C)ccc1C	15219933	PFWMZGCALOPQBO-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1Cl	17052220	YVGIIIAZUKNKCD-AHQHQLSQSA-N	312.800	3.984	50	40	DHGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1c[nH]c2ccccc12	33688646	HZGCAELCWCWMJJ-HWQXQVJZSA-N	303.365	3.987	50	40	DHGB	
O=C(CBr)c1cc(Cl)cc(OC(F)(F)F)c1	97437859	SETXUZFJAVNMAT-UHFFFAOYSA-N	317.488	3.816	50	40	DHGB	
O=C1OC(=O)[C@@H]2[C@H]1c1c(ccc3ccccc13)[C@H]1CCCC[C@@H]12	101013202	GMVBBHPSZDEHRJ-DFEHZGFQSA-N	306.361	3.910	50	40	DHGB	
N#CC1=C(N)S[C@@H](C(=O)c2cccs2)[C@@H]1c1cccs1	62852	UISWNLQFCJLXSW-WCQYABFASA-N	318.448	3.585	50	40	DHGB	
CC(C)O[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1614624	INEFZEDHTXJDLK-RNCFNFMXSA-N	301.180	3.665	50	40	DHGB	
CC(C)n1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21	2449944	BFRQRYZBLWCRDH-RGVLZGJSSA-N	321.380	3.692	50	40	DHGB	
Cc1ccc2cc(/C=N/NC(=O)c3ccccc3)c(Cl)nc2c1	7930390	DBFVRGCBVJTWRS-RGVLZGJSSA-N	323.783	3.961	50	40	DHGB	
O=C(Cc1cccs1)N/N=C\c1ccc(Cl)cc1Cl	31841416	YECQEUFQWQJNBN-PXNMLYILSA-N	313.209	3.748	50	40	DHGB	
N#C/C(=C\c1ccc2c(c1)OCO2)Sc1nc2ccccc2[nH]1	408598921	LDYYWPMTAUOBSW-KPKJPENVSA-N	321.361	3.948	50	40	DHGB	
O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccccn1	2632061	ZQLASBNIKXYVGM-KGENOOAVSA-N	317.348	3.638	50	40	DHGB	
CCOC(=O)c1sc2nc(CCl)nc(Cl)c2c1C	3319619	HEOJTPYNBOSOJO-UHFFFAOYSA-N	305.186	3.569	50	40	DHGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OC	5673316	BEAVRKBFADXARF-LFIBNONCSA-N	307.349	3.884	50	40	DHGB	
CCC(C)(C)C1CCC(=NNC(=O)[C@@H](O)c2ccccc2)CC1	5791975	PTGYVUQAYYQZDZ-LWKPJOBUSA-N	316.445	3.819	50	40	DHGB	
Cc1cc(C)cc(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)c1	408947067	ADUBVKXJBRBNAD-YEQJUMHLSA-N	314.429	3.611	50	40	DHGB	
C[C@H](CCO)CC[C@@H](Br)C(C)(C)Br	1584789	BOMGTQQCFLBAGM-DTWKUNHWSA-N	316.077	3.722	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cl	3570565	HKKURVOCBBIQKA-JLHYYAGUSA-N	312.756	3.894	50	40	DHGB	
N#C/C(=C\c1cccc2c1OCCCO2)c1nc2ccccc2[nH]1	51042304	IRFFCVMVQMCXIT-SDNWHVSQSA-N	317.348	3.788	50	40	DHGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCc1cccs1	59133191	LGYMYFIDLIVIOU-JXMROGBWSA-N	320.776	3.764	50	40	DHGB	
COc1cc(SSc2ccc(O)c(OC)c2)ccc1O	97424	DXDHCAZQZGYREK-UHFFFAOYSA-N	310.396	3.914	50	40	DHGB	
COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1	3322194	LIURFFVNYKATQA-UHFFFAOYSA-N	305.805	3.778	50	40	DHGB	
Cn1c(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21	3899796	TZQOEAQNCCQAQF-UKTHLTGXSA-N	304.309	3.546	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	5469398	ZHXFOTHJCUTTIW-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
CN1/C(=C(\C#N)C(=O)[C@H](Cl)c2ccccc2)Nc2ccccc21	15910740	PZEZHWOLRQLAOJ-APVMCDBPSA-N	323.783	3.833	50	40	DHGB	
CCOc1ccc(N[C@H](C)C(=O)N/N=C2/CCCC[C@@H]2C)cc1	28632578	OTUJSBCXCMHNQY-IOMYJBEQSA-N	317.433	3.568	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)c1	214202088	NLQLLHXTBBOTAJ-SWEABUAFSA-N	318.376	3.864	50	40	DHGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccccc1	409366552	WATXFQYGPXKCRE-WJDWOHSUSA-N	304.305	3.671	50	40	DHGB	
CCCCOC(=O)c1ccc(NC(=O)CC[C@@H](C)Cl)cc1	2048012	UJACCONNTPTRJS-GFCCVEGCSA-N	311.809	3.990	50	40	DHGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1CCCO1	4680516	YXURGGCZRJPNDU-DBRLUCFCSA-N	318.376	3.622	50	40	DHGB	
CS[C@@H](C(=O)N1CCCCC1)[C@H](Cl)c1ccc(F)cc1	5515297	KOVFDSWKLINJSP-ZIAGYGMSSA-N	315.841	3.850	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1C	13858057	ULQVEQISCXJJBB-CIAFOILYSA-N	324.424	3.956	50	40	DHGB	
O=C(CCCl)N1N=C(c2ccccc2)C[C@@H]1c1ccco1	32936374	WEOZNXIZMAWXFW-CQSZACIVSA-N	302.761	3.586	50	40	DHGB	
CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)OC(C)(C)C	37593802	BWBBWSRYKMISOZ-UHFFFAOYSA-N	322.405	3.863	50	40	DHGB	
CCCCC(=O)N/N=C\c1c[nH]c2ccc(Br)cc12	104091714	YYBWQBAREVPJJS-MFOYZWKCSA-N	322.206	3.571	50	40	DHGB	
Cc1cccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1C	148179	XNAAHUKAYFGVGY-UHFFFAOYSA-N	302.333	3.572	50	40	DHGB	
C#CCSC1=C(C=O)C(=O)C[C@H](c2cccc(C)c2)S1	2556112	BSRSINPEKDDOQV-OAHLLOKOSA-N	302.420	3.519	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)cc1	4723659	VXORBABCIGRZOA-DHDCSXOGSA-N	321.336	3.757	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1	59133201	PTHISWQKNVSLBQ-PTNGSMBKSA-N	322.364	3.640	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1	79006493	VOQCHCCJXJMDPZ-CQSZACIVSA-N	313.788	3.971	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)OC(C)C)cc(C)c1OC(F)F	82067995	ZMFUBCSYTQZUDO-QPEQYQDCSA-N	309.312	3.763	50	40	DHGB	
N[C@H]1c2ccccc2C[C@@H]1P(c1ccccc1)c1ccccc1	100006248	IALYUOSURKZWLR-SFTDATJTSA-N	317.372	3.744	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@H]2CC[C@H]1C2	245226178	JTXMUFJZYYCMDM-LCHYNLGASA-N	306.793	3.588	50	40	DHGB	
N#C/C(=C/c1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cn1	584907266	BKMAQELLUBRCGB-QPEQYQDCSA-N	308.291	3.610	50	40	DHGB	
C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(Cl)cc1	220572	FJBGHRIHJALZBB-DEDYPNTBSA-N	315.804	3.601	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	3615988	YHTQSNNZVBALLY-JLHYYAGUSA-N	312.756	3.894	50	40	DHGB	
Cc1nn(C)cc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	17031357	WLQDTRLDCJJIAQ-RIYZIHGNSA-N	306.394	3.916	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NC1CCCCC1	17031577	NGQQYTKDQKRYSZ-KAMYIIQDSA-N	307.397	3.832	50	40	DHGB	
N#CC1=C(NC(=O)NCc2ccccc2)S[C@H]2CCCC[C@H]12	26803056	IFWFPOOWBOBBGL-HIFRSBDPSA-N	313.426	3.527	50	40	DHGB	
C=CCSC1=C(C#N)[C@H](c2cccc(Cl)c2)CC(=O)N1	2296006	UQUDWMFKWADGRH-LBPRGKRZSA-N	304.802	3.598	50	40	DHGB	
O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1	3252686	GJSOCNYKVHSXCX-UHFFFAOYSA-N	311.772	3.717	50	40	DHGB	
CCn1c(C)c(/C=N/NC(=O)Cc2ccccc2)c2ccccc21	6946993	RXPWFVZULFSXBL-KGENOOAVSA-N	319.408	3.662	50	40	DHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/[C@H](C)c1ccccc1	8497182	HBLAFULEQAZXCK-DORSJAEJSA-N	310.397	3.588	50	40	DHGB	
C[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@@H]4C=CC[C@H]34)cc2C1	36511799	XTXHHUMHWKPEHH-QURDNBOFSA-N	300.427	3.555	50	40	DHGB	
CCOC(=O)N/N=C1/CCCc2nc(-c3ccccc3)sc21	84793537	SMQOBQCXYVOUMA-AQTBWJFISA-N	315.398	3.597	50	40	DHGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1	408599742	ZFZFQFAZCLIPAQ-JXMROGBWSA-N	312.310	3.721	50	40	DHGB	
C[C@@H](Br)C(=O)Nc1nc(-c2ccccc2)cs1	152397	FRNMHHFTUMOECO-MRVPVSSYSA-N	311.204	3.532	50	40	DHGB	
CCCCCCSC1=C(C#N)C2(CCCC2)[C@@H](C#N)C(=O)N1	9044915	KCGAGZFIVVZWQH-ZDUSSCGKSA-N	317.458	3.865	50	40	DHGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1O	408691488	AMOSFZADRJGATM-DHDCSXOGSA-N	319.364	3.748	50	40	DHGB	
CCCC(CCC)=NNC(=O)c1c(C)nc2cc(C)ccn12	409013217	MIFQVXCSKYUQEA-UHFFFAOYSA-N	300.406	3.637	50	40	DHGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(N)=S	33507396	NBGPDBVCOAYMBQ-ZROIWOOFSA-N	312.369	3.598	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1C	77358224	CXDVFFAFJIIRBP-GDNBJRDFSA-N	311.360	3.810	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(F)ccc1F)c1ccccc1	40139590	FWUYDEUSSKDZBP-KMHUVPDISA-N	312.319	3.749	50	40	DHGB	
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N	70669907	JYCSLUASXDFIEL-QONVVCGCSA-N	313.441	3.773	50	40	DHGB	biogenic
COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C	4947170	YDEQGKJVKNRYCZ-XMXZMKJDSA-N	324.424	3.853	50	40	DHGB	
O=C(COc1ccccc1-c1ccccc1)NN=C1CCCC1	5164312	LUVNTPOPOQBUDR-UHFFFAOYSA-N	308.381	3.779	50	40	DHGB	
CCCOc1cccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1	20195060	XDWYVURKICCJLT-KGENOOAVSA-N	324.424	3.785	50	40	DHGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc([N+](=O)[O-])c1O	76539889	HSSUCENIYSKHQQ-RIYZIHGNSA-N	310.309	3.763	50	40	DHGB	
Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NC2CCCC2)c1	409189674	MRVJQVWPDAUYPQ-SSZFMOIBSA-N	319.408	3.752	50	40	DHGB	
COc1ccccc1/C=C/C=C(\C#N)c1nnc2n1CCCCC2	3251635	OSGJZUDHBLVUPI-QCPPYIPPSA-N	320.396	3.633	50	40	DHGB	
CC(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	4677293	CAECVGVHBWRWOA-FYJGNVAPSA-N	318.376	3.889	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@H]2C[C@@H]1C[C@@H]2C(F)(F)F	4975576	JBSGHVMHMIFLDF-SHTWLLMHSA-N	324.346	3.556	50	40	DHGB	
O=C(OC(CCl)CCl)[C@@H]1CC[C@@H]2[C@@H](C1)C2(Cl)Cl	100934413	JPYVZIVSPZMBKG-FTLITQJKSA-N	320.043	3.596	50	40	DHGB	
CCOC(=O)N/N=C/c1ccc2c(c1)c1ccccc1n2CC	104225279	KGLZVEMNPYKKNZ-XDHOZWIPSA-N	309.369	3.894	50	40	DHGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)NCCCc1ccccc1	409221106	KZQFMYLLXONSIV-ATVHPVEESA-N	324.811	3.996	50	40	DHGB	
COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1ccc(C)s1	369522	PYEAGLLAYRJSKS-LICLKQGHSA-N	322.817	3.873	50	40	DHGB	
O=C(N/N=C/c1ccncc1)c1sc2ccccc2c1Cl	524598	YOEOWPTUFNKEMQ-GIJQJNRQSA-N	315.785	3.714	50	40	DHGB	
CN(NC(=O)c1csc(-c2ccccc2)n1)c1ccccc1	13011712	KMFQGKDWHUQFOR-UHFFFAOYSA-N	309.394	3.591	50	40	DHGB	
O=C(CBr)c1cc(F)c(F)c(C(F)(F)F)c1	16158763	OKBKUJRXPNORKF-UHFFFAOYSA-N	303.024	3.561	50	40	DHGB	
CCCC[C@@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1	72220097	DEGFACQTMHPRMY-SECBINFHSA-N	317.227	3.864	50	40	DHGB	
O=C(CCl)Nc1ccc2oc(-c3cccc(F)c3)nc2c1	216854500	XAYLEYDFFWWECD-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
O=C(O)c1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1O	1703821	OHERYFSRCLTWML-SSDOTTSWSA-N	303.956	3.741	50	40	DHGB	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)NC1CCCCC1	3239561	DEJRMRSRPAIDTH-JLHYYAGUSA-N	320.339	3.644	50	40	DHGB	
Cc1ccc2nc(C)c(C(=O)NN=C3CCCCCCC3)n2c1	6565439	MMBAIACKXPGGJP-UHFFFAOYSA-N	312.417	3.781	50	40	DHGB	
Cc1ccc(CN(CCc2ccccc2)C(=O)CCl)s1	8183802	RYUPTAJAOYFANH-UHFFFAOYSA-N	307.846	3.867	50	40	DHGB	
CC(C)/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	13477404	RBWJKFBVGTZIHP-RYKSPBIKSA-N	306.409	3.967	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1cccnc1	17053289	YXHAQTGGNSHFIF-PXLXIMEGSA-N	315.376	3.903	50	40	DHGB	
O=C1Nc2ccccc2N=C(c2ccccc2)[C@@H]1Br	238454	GYTOODLZJOYSOY-ZDUSSCGKSA-N	315.170	3.523	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21	9201196	RRKIACHKALMIMP-FYJGNVAPSA-N	317.392	3.900	50	40	DHGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1	32625403	GJNNXAMSBRLSMR-WQRHYEAKSA-N	302.761	3.503	50	40	DHGB	
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)C(N)=S	408542901	LNDZAHVBZKXVFZ-RIYZIHGNSA-N	312.369	3.598	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2O)cc1	408889787	HCTZVKSMZSRWOF-XNTDXEJSSA-N	322.364	3.509	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1	5070206	SPEYLHOALHXEHT-RVDMUPIBSA-N	316.364	3.596	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@H]1C[C@@H]1c1ccccc1	5902059	UJUBDUJDGZGVGP-HOXBZQJKSA-N	308.425	3.718	50	40	DHGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC(C)C)c1C	20247446	FMAJKMMVUQUZGA-UDWIEESQSA-N	311.429	3.899	50	40	DHGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1	408812388	LSIFCAGAPBHQJJ-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
O=C(CCSc1ccccc1)N/N=C/c1ccccc1Cl	233787	LRTVGTBGSXYRTA-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/C2=Cc3ccccc3O[C@@H]2C)cc1	501793	CLSZALQGDDDUFT-MQMKENTISA-N	306.365	3.575	50	40	DHGB	
O=C(NNC(=O)c1cccc2ccccc12)c1ccccc1Cl	2163988	BGBHDNXEQKRKFT-UHFFFAOYSA-N	324.767	3.568	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	33305691	OGRLLXWWXBWOFZ-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccs2)c1	59503563	WNXMERZMYDGKCD-RQZCQDPDSA-N	318.467	3.748	50	40	DHGB	
Br[C@H]1[C@@H]2C[C@@H](c3ccccc32)[C@H]1Br	104132598	UGOBXGMGPCCRHH-CKIJPRSSSA-N	302.009	3.798	50	40	DHGB	
CC(=O)N/N=C/c1c(C)n(Cc2ccccc2F)c2ccccc12	409012486	KIEUHLHEDMQPQK-SRZZPIQSSA-N	323.371	3.607	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21	409361471	SRRBIVBTXBSOAU-DEDYPNTBSA-N	303.365	3.591	50	40	DHGB	
C/C(=N/NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl	254688	INEJWFGCUZUZNO-NVMNQCDNSA-N	308.168	3.542	50	40	DHGB	
N#C/C(=C\c1cccnc1)C(=O)Nc1c(Cl)cccc1Cl	3506231	XVTKWLOWNNULGK-YRNVUSSQSA-N	318.163	3.934	50	40	DHGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\CCC[C@H](C)C1	5535410	WWUPLYVQLSIGBW-KEVMXDQOSA-N	308.809	3.710	50	40	DHGB	
COC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C	510466	FWTIQLVNDVVICM-UDWIEESQSA-N	321.380	3.937	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	8970531	XBNNJEGXCGHGEE-SDNWHVSQSA-N	317.348	3.798	50	40	DHGB	
Cc1ccc(C(=O)[C@H](Br)CBr)c(C)c1	307245346	MFTBLZYSJPEWLR-SNVBAGLBSA-N	320.024	3.645	50	40	DHGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1ccco1	1446778	NADXPHWGPJANJS-JXMROGBWSA-N	321.163	3.810	50	40	DHGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)NCc1ccco1	3570336	VQTMWHCOGAWQAM-LFIBNONCSA-N	302.333	3.656	50	40	DHGB	
Cc1csc([C@H]2C(=N)NC(S)=C(C#N)C23CCCCC3)n1	49552013	DBDHTFKTCSHEQV-LLVKDONJSA-N	318.471	3.731	50	40	DHGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1	408779933	NWMRFBUKAXVTQD-VBKFSLOCSA-N	305.381	3.607	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	5698419	LJQYUAOOVRHZQR-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1C1CCCCC1	8011789	GGQDLQHCRCKWRB-FYJGNVAPSA-N	324.428	3.769	50	40	DHGB	
Cc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@H]2Cl)cc1	339623	GIMUPIFMIXPQMS-JKSUJKDBSA-N	306.814	3.674	50	40	DHGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1	4600596	IEYCIGJIJQCJON-RCCKNPSSSA-N	318.376	3.952	50	40	DHGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccc(C(C)C)cc1	5294870	GKKAQZMVGOQRSX-XSFVSMFZSA-N	310.397	3.973	50	40	DHGB	
C[C@H]1CC2(CCCC2)N2C(=O)C(=C(C#N)C#N)c3cc(F)cc1c32	14162259	ZRJLYCFOVYDDEL-NSHDSACASA-N	321.355	3.793	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)C[C@H](C)O2	10298956	NKAHIHLIVCTDQP-FMNVXAMXSA-N	318.376	3.864	50	40	DHGB	
Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)CCl)C1(C)C	2108913	FJCXJKCVNRMCRS-SUMWQHHRSA-N	318.848	3.961	50	40	DHGB	biogenic
C[C@H](Cl)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1	4200407	FGYFDVYWLZQBIL-NSHDSACASA-N	305.809	3.736	50	40	DHGB	
C[C@@H]1C/C(=N\NC(=O)c2cccc(N(C)C)c2)CC(C)(C)C1	7783917	SLNKZBFLNKSUMI-PETKRDDUSA-N	301.434	3.685	50	40	DHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(C)cc2Cl)cc1	13842670	PSZKZWDNFUVEIT-XDHOZWIPSA-N	316.788	3.811	50	40	DHGB	
O=C(CBr)Nc1cccc(OCc2ccccc2)c1	35605084	NLPHPYDKLFUNPZ-UHFFFAOYSA-N	320.186	3.599	50	40	DHGB	
N#CC1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O	38487982	SVHWSHLUOMDHMG-UHFFFAOYSA-N	316.769	3.630	50	40	DHGB	
Cc1cc(N(CCCl)CCCl)ccc1C=C(C#N)C#N	1684170	GDWKRIWDPVIWIV-UHFFFAOYSA-N	308.212	3.710	50	40	DHGB	
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(F)cc1	4651659	VXTDWUGVZJBWBV-CIAFOILYSA-N	314.404	3.882	50	40	DHGB	
COc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1Cl	5329127	VAUIKHBHXXRBDW-NVMNQCDNSA-N	323.179	3.766	50	40	DHGB	
CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccnc2)cc1	57987332	LMKCDYURSZOHKV-YVLHZVERSA-N	306.365	3.793	50	40	DHGB	
CCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccccc2)cc1	408739047	SAOXEKPHGTYHDM-PGMHBOJBSA-N	324.424	3.948	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1cccs1	408834360	YBLFRBOXQXPYPD-GHRIWEEISA-N	318.467	3.830	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(Br)cc1	5282563	STNJZXKRMZTRLU-GZTJUZNOSA-N	317.186	3.603	50	40	DHGB	
O=C(N/N=C1\CCSc2ccc(F)cc21)c1cccs1	6251557	GOPDPTLUJATMSP-LFIBNONCSA-N	306.387	3.517	50	40	DHGB	
CCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1	9089367	KSBSGENYFOMWHT-AWEZNQCLSA-N	300.427	3.902	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C(\C)Cc2ccccc2)cc1	9191401	YFRQNDOUJKUSFV-HMMYKYKNSA-N	310.397	3.824	50	40	DHGB	
CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cc(O)ccc1O	17031080	RTFVOBSGLZMHMZ-HVOBPNNYSA-N	304.390	3.586	50	40	DHGB	
CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59401707	HGZKFHQXFUOTDK-FYJGNVAPSA-N	318.376	3.889	50	40	DHGB	
O=C(NN(c1ccccc1)c1ccccc1)c1cc(C2CC2)[nH]n1	65613462	QLXBMGUMSXMCBJ-UHFFFAOYSA-N	318.380	3.770	50	40	DHGB	
CCOC(=O)c1ccc(C(=O)CCCCBr)cc1	575361789	LVRSYYKBWIGCIK-UHFFFAOYSA-N	313.191	3.611	50	40	DHGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1O	145736	IBRAKCNESKWENZ-XNTDXEJSSA-N	322.364	3.645	50	40	DHGB	
O=C(CCCCl)Nc1ncnc2sc3c(c12)CCCC3	1793924	MBCVPMUSEIPYKO-UHFFFAOYSA-N	309.822	3.528	50	40	DHGB	
Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCCCCC1	58883745	HBCVFMLJKIZFCL-UHFFFAOYSA-N	318.808	3.736	50	40	DHGB	
CON(C)C(=O)CCCCCCO[Si](C)(C)C(C)(C)C	498051149	XYZOJNOKVFKCPE-UHFFFAOYSA-N	303.519	3.979	50	40	DHGB	
O=C(Cl)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1	2582850	HJMWBRLVJZGMKS-OAHLLOKOSA-N	315.756	3.520	50	40	DHGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1Cl	13533955	INEJWFGCUZUZNO-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
COc1cc(OC)c(/C=C(/C#N)c2ccccc2F)c(OC)c1	107615131	MAXKMYQUACDLHR-WQLSENKSSA-N	313.328	3.916	50	40	DHGB	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1	2795032	UFPHGHYHEFZMFM-XYOKQWHBSA-N	320.270	3.522	50	40	DHGB	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	4102994	NQLGNUDZYAUBPL-PVXIVEMSSA-N	320.421	3.588	50	40	DHGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1ccccc1	4121410	DVLYUICAHMHSEW-UHFFFAOYSA-N	303.774	3.707	50	40	DHGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccc2ccccc2c1O	4724434	WNOHBRVQSSRFGD-UNOMPAQXSA-N	324.405	3.690	50	40	DHGB	
Cc1ccc(NC(=O)[C@H](Cl)C(=O)c2ccccc2)cc1C	8550695	VKIKBVQFQHNACZ-OAHLLOKOSA-N	301.773	3.732	50	40	DHGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	31672184	KEALYRDNURHPDW-UNOMPAQXSA-N	319.320	3.512	50	40	DHGB	
C[C@@H](NCC(C)(C)CCl)c1ccc(N2CCCC2=O)cc1	95450150	IIUGUWPPFJIFAK-CYBMUJFWSA-N	308.853	3.729	50	40	DHGB	
Cc1ccc(/C(N=C=S)=N/Cc2ccc([N+](=O)[O-])cc2)cc1	100320022	SIQRPEPTCBCTHQ-MSUUIHNZSA-N	311.366	3.953	50	40	DHGB	
CCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@@H](C)CC1(C)C	223221968	YIQGDUQGVQJDRG-XHDPSFHLSA-N	323.868	3.591	50	40	DHGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3)cc2c1	43776425	WGPIYNLNOKASMG-RGVLZGJSSA-N	323.783	3.961	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1	215254418	NUUAZNASKWQXAS-LCYFTJDESA-N	312.756	3.894	50	40	DHGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)CNc1ccccc1	4711935	LOBKPDUQTOEJNU-JTTZRPLZSA-N	319.408	3.860	50	40	DHGB	
O=C(Cc1cccs1)N/N=C\c1c(Cl)cccc1Cl	12428370	ZDCSAADEAJUMOD-PXNMLYILSA-N	313.209	3.748	50	40	DHGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C(/O)c1ccc(Cl)cc1	38192215	WGCQQQIKFTXKSQ-PFONDFGASA-N	316.719	3.910	50	40	DHGB	
O=C(CBr)c1ccc(Cl)cc1Br	97437861	KJYFPROKUHIAPY-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2	43370	JAYXXQPRKXBRRS-BKUYFWCQSA-N	310.372	3.859	50	40	DHGB	
CC(=O)N(/N=C/c1ccc(C)cc1)c1nc(CCl)cs1	3887896	KJVCNCNVFPNTPB-LZYBPNLTSA-N	307.806	3.577	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(C)o1	16348039	GDYICKMEGQXHDE-AWNIVKPZSA-N	302.337	3.597	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccc2cccnc12	64366983	NJCCOQPUAJQVGI-UHFFFAOYSA-N	319.408	3.777	50	40	DHGB	
CC(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223501150	IQXNSAVHVLJWPX-RGVLZGJSSA-N	313.445	3.875	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)N[C@H](C)CC	408816384	JOIGOZOZNMMNPU-KAQJVSAMSA-N	306.793	3.560	50	40	DHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	16411144	GBEPZGTWHIJFDM-DTQAZKPQSA-N	304.349	3.797	50	40	DHGB	
CC1(C)COC(c2cccc(NC(=O)CCCCl)c2)OC1	40545292	LUJLMPAERQKZCR-UHFFFAOYSA-N	311.809	3.716	50	40	DHGB	
CCn1cc(NC(=O)NN(c2ccccc2)c2ccccc2)cn1	43645233	RFUILSYTEBMXNH-UHFFFAOYSA-N	321.384	3.778	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1	289227	PPKSHIGPZKAWPV-IZZDOVSWSA-N	321.163	3.810	50	40	DHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccs1	313874	JJYZHTJGPXQXNS-SEJMYLSOSA-N	304.440	3.520	50	40	DHGB	
CCc1cc2c(cc1/C(C)=N/NC(N)=O)C(C)(C)CCC2(C)C	314773	ZOKUWCBSYFZEDN-CIAFOILYSA-N	315.461	3.990	50	40	DHGB	biogenic
Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1	1009035	UOOWJIFFARTSAC-LBFZPMSMSA-N	322.817	3.628	50	40	DHGB	
C=CCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	3272660	VRFFKRADDCQLIO-LDADJPATSA-N	319.408	3.612	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812181	YWBWUSRSVOIDTD-CIAFOILYSA-N	321.355	3.730	50	40	DHGB	
CCC1(CC)Cc2ccccc2-c2nc(CCl)[nH]c(=O)c21	13119457	VSMCUCDNRWPNNB-UHFFFAOYSA-N	302.805	3.790	50	40	DHGB	
C[C@@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3o2)C1	36234946	MTNOHBIEYBPQRW-UCXYNXEWSA-N	317.414	3.602	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1O	59335104	QPFMKFFJNUPRDE-ATVHPVEESA-N	318.376	3.975	50	40	DHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1OC	211438214	TUDJCDLBJFQYCA-PTNGSMBKSA-N	322.364	3.558	50	40	DHGB	
CCCC/C(C)=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408719900	OYJQFRCVEFTLAU-FOWTUZBSSA-N	323.418	3.510	50	40	DHGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(N)=O)cc2Cl)c1	408879228	CHUKDQQFYKSLCL-CAOOACKPSA-N	324.811	3.940	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1Cl	273396	SZZMEWQFLOJJJL-VXLYETTFSA-N	311.772	3.894	50	40	DHGB	
ClCCN(Cc1ccccc1)C[C@H]1COc2ccccc2O1	1661320	CQXIYKTWKLLKKG-INIZCTEOSA-N	317.816	3.567	50	40	DHGB	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)NC1CCCC1	14178344	JKPNJLGQTMGJQZ-FMIVXFBMSA-N	308.303	3.671	50	40	DHGB	
Cc1cc2c(cc1N)=S(Cl)c1cc(N(C)C)ccc1N=2	68601082	DYTARRGKRQNCHA-UHFFFAOYSA-N	305.834	3.641	50	40	DHGB	
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#N	77985526	JYCSLUASXDFIEL-XVMXLUHGSA-N	313.441	3.773	50	40	DHGB	biogenic
CCCCc1ccc(C(=O)OC(=O)Nc2nccs2)cc1	98044790	UQCQCERGZDXRSP-UHFFFAOYSA-N	304.371	3.875	50	40	DHGB	
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CCl	3278531	DNNFQRZAVJIYQW-UHFFFAOYSA-N	323.801	3.769	50	40	DHGB	
CC(C)(CCCO)CNC(=O)CCCC[C@H]1CCSS1	95459351	NMLPJASFMWLLDH-ZDUSSCGKSA-N	319.536	3.615	50	40	DHGB	
CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)C1CCN2CC1	100329783	SVILZIUZTXHPRZ-MRXNPFEDSA-N	311.816	3.762	50	40	DHGB	
FC1(F)c2cccc(Br)c2C[C@H]1Br	1857794331	HAEZOLIKPCUDGV-MRVPVSSYSA-N	311.951	3.861	50	40	DHGB	
CC(C)(C)C1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	5379564	ZDKWMIMQZVGOBC-UHFFFAOYSA-N	317.389	3.917	50	40	DHGB	
O=C(NN=C1CCCC1)c1cccc(OC(F)(F)C(F)F)c1	6828871	WYNGLQDMOWWFLM-UHFFFAOYSA-N	318.270	3.583	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\C=C\c2ccco2)c1	16693248	LTZSCDXWCMNYPT-WTLARTHZSA-N	308.337	3.780	50	40	DHGB	
Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21	54074828	QPOJCMKKODXEPA-SDNWHVSQSA-N	301.349	3.724	50	40	DHGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCO[C@H]1C	92304698	KDEVVZJODCJLBX-XHDPSFHLSA-N	318.442	3.748	50	40	DHGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	60465	SMUIHRPJMZOJEG-DJKKODMXSA-N	322.195	3.556	50	40	DHGB	
Cc1ccc(N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	250214	PFDFOMZKRNGGEG-OAHLLOKOSA-N	323.223	3.967	50	40	DHGB	
O=P(Cc1ccccc1CO)(c1ccccc1)c1ccccc1	3149692	NBCPFBBFQMWXKC-UHFFFAOYSA-N	322.344	3.693	50	40	DHGB	
CC(C)=NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1	4680614	VCLKTBFLTGYMBU-UHFFFAOYSA-N	323.396	3.644	50	40	DHGB	
CC(/C=C/c1ccco1)=N\NC(=O)COc1cccc(Cl)c1	4954301	MVAUTANPXTUDCU-OIQWCEHOSA-N	318.760	3.517	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(C)ccc1F	20195522	XUCWCRQYOQJNJP-RCCKNPSSSA-N	312.388	3.834	50	40	DHGB	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	97220165	CKFVLKQYROZTOF-XYOKQWHBSA-N	318.380	3.978	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)s1	3525928	SCBYOEOIQTYGJC-VCHYOVAHSA-N	310.378	3.679	50	40	DHGB	
COCCc1ccccc1P(c1ccccc1)c1ccccc1	102132511	ISFKPLWXWQUCKO-UHFFFAOYSA-N	320.372	3.634	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc(F)c2)cc1	409122922	CVZPNJFZPLEZNB-OTGIAGGSSA-N	316.401	3.765	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)CNc1cccc(C)c1	4180384	LXSFALLACFGWMJ-XOWWARPTSA-N	307.397	3.612	50	40	DHGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccsc2)cc1	20930636	IQFJLAPBCUTVKB-YBFXNURJSA-N	323.421	3.920	50	40	DHGB	
C[C@H]1C[C@H](C)CN(c2ccc(NC(=O)CCl)cc2Cl)C1	34776660	UPWGHCHSPDNQHJ-QWRGUYRKSA-N	315.244	4.000	50	40	DHGB	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C#N)cc2)c1C	96669633	RJOZCXBXIOOGIG-WQRHYEAKSA-N	315.376	3.953	50	40	DHGB	
CCCCCCCC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	100968750	ZZTFKDGBBFYHEA-QGOAFFKASA-N	304.390	3.616	50	40	DHGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc2ccc(F)cc2[nH]1	408569169	ZGAHVFAGVQWHTD-XFFZJAGNSA-N	308.272	3.674	50	40	DHGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1F	408884206	WIGSOJNEZGIRGA-YRNVUSSQSA-N	316.719	3.730	50	40	DHGB	
N#CC1=C(N)Nc2oc(-c3ccccc3)nc2[C@@H]1c1cccs1	214299	BXVLFTFXIZUDJP-ZDUSSCGKSA-N	320.377	3.654	50	40	DHGB	
C[C@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2CC1	4631757	DQKXXGBSBSJOGU-XUWXXGDYSA-N	314.392	3.526	50	40	DHGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1	33097070	OYKBCNWAYRPRTA-PXLXIMEGSA-N	315.376	3.903	50	40	DHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccs1	2754951	JNESMUWBDBOSGO-JXMROGBWSA-N	318.785	3.956	50	40	DHGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1	59334512	XQKWSQZTBPJJES-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1ccc(OCCCC(F)(F)F)cc1	96508975	DGWPEBZKFSLTFN-VIFPVBQESA-N	309.715	3.974	50	40	DHGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OC	409392868	OFIAUNMKVOKDIC-AUWJEWJLSA-N	313.328	3.916	50	40	DHGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1	3361376	GHOVSLOFONLEMS-RGEXLXHISA-N	302.377	3.883	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(C)c(C)c1)c1ccc(OC)cc1	5384953	QKQVDIZWSHBFGG-CZIZESTLSA-N	310.397	3.856	50	40	DHGB	
COc1cc(SC)ccc1C(=O)Oc1ccc([N+](=O)[O-])cc1	6153395	BJZMUDIVOILKNZ-UHFFFAOYSA-N	319.338	3.545	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C	207517876	ALDNABINGSMELH-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1	478352	AEIAPHQCXXLVGV-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
C#CCSC1=C(C=O)C(=O)C[C@@H](c2cccc(C)c2)S1	3120424	BSRSINPEKDDOQV-HNNXBMFYSA-N	302.420	3.519	50	40	DHGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(C)C)=C2C#N)cc1	3248549	QEMOBRTYRYMCMO-CQSZACIVSA-N	300.427	3.723	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@H]2CC[C@H]1C2	107910059	JTXMUFJZYYCMDM-SNAOCUBFSA-N	306.793	3.588	50	40	DHGB	
Cc1ccc2oc(-c3cccc(NC(=O)CSC#N)c3)nc2c1	216857609	VYMDRFAHIZOKAQ-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccccc1	242813	LJPGFRYTMAFIRZ-OTGIAGGSSA-N	316.788	3.566	50	40	DHGB	
Cc1cccc2sc(NNC(=O)c3c(F)cccc3F)nc12	429753	VIVSIALUJLWJAF-UHFFFAOYSA-N	319.336	3.640	50	40	DHGB	
Cc1cc(C(=O)NNC2c3ccccc3-c3ccccc32)c(C)o1	13987625	WBOFMHQGXMWCHI-UHFFFAOYSA-N	318.376	3.901	50	40	DHGB	
CC(C)n1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21	34897833	COSLREUBQMOELP-UDWIEESQSA-N	305.381	3.986	50	40	DHGB	
CCOc1ccc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc1	57413928	OKPNKYQXZJDOPY-BUHFOSPRSA-N	307.353	3.543	50	40	DHGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccccc1	242811	LJPGFRYTMAFIRZ-MDBUFAAASA-N	316.788	3.566	50	40	DHGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccco1	4119795	MAPGJTRWHKGPAZ-DEDYPNTBSA-N	320.348	3.623	50	40	DHGB	
CCc1ccc(OCCBr)c(Br)c1	72227033	RNASMRBJOPYRFC-UHFFFAOYSA-N	308.013	3.785	50	40	DHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)Nc1ccccc1	573107	HURMBBODMZDKDB-XMHGGMMESA-N	304.353	3.633	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	33784534	JGLSZNNFWFFVNL-AUWJEWJLSA-N	309.281	3.876	50	40	DHGB	
O=C(N/N=C/c1cccc(Br)c1)Nc1ccccc1	58822454	RUCFIPXFOOOPDI-MHWRWJLKSA-N	318.174	3.605	50	40	DHGB	
CN1/C(=C(\C#N)C(=O)c2ccc(Cl)s2)Nc2ccccc21	11617381	GOGHILSABNOKAZ-OQLLNIDSSA-N	315.785	3.881	50	40	DHGB	
CS[C@@H](C(=O)N1CCCCC1)[C@@H](Cl)c1ccc(F)cc1	5515300	KOVFDSWKLINJSP-UONOGXRCSA-N	315.841	3.850	50	40	DHGB	
CC[C@@]1(CBr)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br	5666500	NKQQZBRYEZCKIP-SCVMZPAESA-N	324.056	3.540	50	40	DHGB	
COc1cc(C)c(/C=N\NC(=O)c2cccs2)cc1C(C)C	30813977	QZRYVLKGZYJPSW-ZDLGFXPLSA-N	316.426	3.952	50	40	DHGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(F)cc1	58915751	APSSRDHHGIJFBS-KZKLBEMASA-N	316.401	3.847	50	40	DHGB	
O=C(CCl)c1cc(Br)sc1Br	4205213	ICLXHVWADVHPDY-UHFFFAOYSA-N	318.417	3.695	50	40	DHGB	
O=C(CCCCl)Nc1ncc(Cc2ccccc2F)s1	4510741	FZKMJEFNXWRDTH-UHFFFAOYSA-N	312.797	3.831	50	40	DHGB	
Cc1ccccc1OCCOc1ccc(C=C(C#N)C#N)cc1	5007359	NHTWYYDCUBZJSV-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
CCN1c2cc(C)c(/C=N/NC(C)=O)cc2[C@H](C)CC1(C)C	208320055	GKWCNBMMLTVPKL-OTGIAGGSSA-N	301.434	3.577	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	48013	FXEJWWROTJYNDU-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1	59473781	ZBXXMOHCDRRSFB-JSJZUPIVSA-N	308.790	3.564	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	408815418	WTNARCSUNFNUTI-HLVNSREUSA-N	312.344	3.907	50	40	DHGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc2ccccc12	478834	ULIWGDJOCOYYNS-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
O=C/C(=C/Nc1cccc(O)c1)c1nc2cc(Cl)ccc2o1	5338063	BROSQJLTVPTWMT-NTMALXAHSA-N	314.728	3.839	50	40	DHGB	
CC[C@@H](C)c1ccccc1OCC(=O)N/N=C/c1ccsc1	12137525	QKQLWYZXHXYHKO-HVOBPNNYSA-N	316.426	3.791	50	40	DHGB	
O=C(CBr)c1cc(Br)ccc1Cl	84193138	CPYOJYNOGRYUIQ-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
Fc1cc(CBr)cc(F)c1OCC(F)(F)F	86895120	IIMKTUBDYDUUBA-UHFFFAOYSA-N	305.040	3.801	50	40	DHGB	
CCOC(=O)c1ccc(CBr)c(C(F)(F)F)c1	113689556	GHDYVOGPNZUNNT-UHFFFAOYSA-N	311.097	3.777	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	337287	SMHFTJKGUGRCFK-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
CC[C@]1(CBr)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br	5664321	NKQQZBRYEZCKIP-URPMGSGRSA-N	324.056	3.540	50	40	DHGB	
Cc1cccc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)c1	59104461	UKORILFFUKZBCS-XSFVSMFZSA-N	322.412	3.751	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408800165	NIEHKUUTFIHEHB-DWKHYPNZSA-N	300.402	3.543	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)COc1ccc2ccccc2c1	580633	UFACGUYAKWKIGG-YBFXNURJSA-N	324.405	3.739	50	40	DHGB	
CC[C@H](C)c1ccccc1N(C(=O)CCl)C(=O)CCl	3289254	MLIGJEYSWPUPQC-JTQLQIEISA-N	302.201	3.537	50	40	DHGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1nccs1	6828627	QSAXYAUPFXBZDP-RMKNXTFCSA-N	324.192	3.996	50	40	DHGB	
O=C(NNC1c2ccccc2-c2ccccc21)c1ccccc1	12746712	XFHOZFFZTHNTAR-UHFFFAOYSA-N	300.361	3.691	50	40	DHGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1	13325286	LENQNKOOBSBIHK-SYHQVDNTSA-N	312.800	3.984	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21	169619501	LEAFVEBNNDDESR-SDADXPQNSA-N	302.805	3.542	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C	223228166	HBFMSRMPRDLGOF-QGZVFWFLSA-N	315.461	3.546	50	40	DHGB	
CC(C)OC(=O)c1c(NC=C(C#N)C#N)sc2c1CCCC2	6847842	PNOKOZABCWAFLZ-UHFFFAOYSA-N	315.398	3.535	50	40	DHGB	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2OC)c1	44026487	WSHRCAHCLNGIHC-PTNGSMBKSA-N	307.349	3.884	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cccc(C)c3)cc2c1	409187446	QLUNGRNJKXPBLA-NDENLUEZSA-N	322.364	3.904	50	40	DHGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)N1CCCC1	409369666	UVGRFTPHQHEHCZ-WYMLVPIESA-N	324.405	3.960	50	40	DHGB	
O=P(CCc1ccccc1)(OCCCl)OCCCl	1737346	BRNRSJSPMCFNFI-UHFFFAOYSA-N	311.145	3.933	50	40	DHGB	
COc1ccccc1C(=O)N/N=C/C(Cl)=C/c1ccccc1	20274705	FVOHPSBQYZSVBR-CFTDAYSMSA-N	314.772	3.691	50	40	DHGB	
BrCc1ccc(Br)c2cccnc12	95347562	DGMZYNTVOVTLLH-UHFFFAOYSA-N	300.981	3.892	50	40	DHGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	409100835	XAJWLBPEQHGUAJ-YFHOEESVSA-N	320.179	3.878	50	40	DHGB	
CC(C)N(Cc1ccccc1)C1CCC(NC(=O)CCl)CC1	79415044	UBWZFURPGMGOMT-UHFFFAOYSA-N	322.880	3.563	50	40	DHGB	
O=S(=O)(C[C@H](Cl)c1ccccc1)c1ccc(F)cc1F	153177	SEUDEEOHCCEZDT-LBPRGKRZSA-N	316.756	3.719	50	40	DHGB	
CCN(C(=O)CCCl)c1nc(-c2ccc(OC)cc2)cs1	4215092	OJLPWAPWMGHESO-UHFFFAOYSA-N	324.833	3.801	50	40	DHGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC1CCCC1	14178367	VGNXKKNAJHBXHI-CSKARUKUSA-N	309.196	3.959	50	40	DHGB	
CCCCCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	100927963	NYUOKXRTLQHDQL-UHFFFAOYSA-N	311.813	3.853	50	40	DHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccccc1Cl	567354	ZHXVNDPRUNOXSN-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
COc1ccc(C(=O)/C(C#N)=C\c2cc(OC)cc(OC)c2)cc1	96669714	BLBQDGVGSYQCSN-NVNXTCNLSA-N	323.348	3.502	50	40	DHGB	
Nc1cc(N2CCC(Br)CC2)cc(C(F)(F)F)c1	228927023	BGADYDFAPDEDAS-UHFFFAOYSA-N	323.156	3.651	50	40	DHGB	
CC(C)CCC[C@H](C)CC1C(C#N)=C(N)SC(N)=C1C#N	549760	INQUGRRMQXMELU-NSHDSACASA-N	304.463	3.590	50	40	DHGB	
C/C(=N/NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1	13113656	BKKHELONVBNZSN-JCMHNJIXSA-N	315.376	3.903	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1	106100575	PVITVAVLXUKEFR-PKXXPVPWSA-N	314.429	3.752	50	40	DHGB	
CC/C(C)=N/NC(=O)CSCc1ccc2ccccc2c1	408727959	UBNYXGBZXLQEBX-QGOAFFKASA-N	300.427	3.975	50	40	DHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccccc2)o1	409225298	KITKZRJOJQQESD-BKUYFWCQSA-N	322.339	3.779	50	40	DHGB	
CCOc1ccc(CCCC(=O)N/N=C/c2ccc(C)cc2)cc1	5872970	BBEBVIYGTPRJKS-RCCKNPSSSA-N	324.424	3.867	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)s1)c1nnc2n1CCCCC2	14170349	BXLSLYWBEFSKCJ-CSKARUKUSA-N	304.806	3.784	50	40	DHGB	
Cc1cc(C)c(NC(=O)[C@@H](C)Cl)c(C)c1Br	96029386	AZGRPSTVOBOADQ-SECBINFHSA-N	304.615	3.940	50	40	DHGB	
Cn1c(/C(C#N)=C/c2ccc([N+](=O)[O-])s2)nc2ccccc21	4032215	QJTQJJWAQKTXPK-CSKARUKUSA-N	310.338	3.607	50	40	DHGB	
N#C/C(=C/c1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1	5485219	VDWDUJJWMCDGHH-GDNBJRDFSA-N	308.362	3.506	50	40	DHGB	
Cc1cccc2cc(/C=N/NC(=O)c3ccccc3)c(Cl)nc12	7930382	IYKSLNFFTLMDJM-RGVLZGJSSA-N	323.783	3.961	50	40	DHGB	
COC(=O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)nc1	199824010	ZSTXNBSRXLYQTE-UHFFFAOYSA-N	309.482	3.823	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C)n1-c1ccccc1	409368594	DFRXWBXHSYMXRO-QGOAFFKASA-N	319.408	3.624	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc3ccccc23)cc1	59022	WFSRNXKPCNBFAL-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1C	244414	FJUWBZQJUXQVJU-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C	11290866	IZTYEKRJOAGDHY-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	17003641	LVOYPTYGBQRRKF-ZROIWOOFSA-N	310.309	3.676	50	40	DHGB	
CO[C@@H](C(=O)N/N=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	20243953	KVQWLOWYNDGITM-ALDSOSFCSA-N	324.424	3.822	50	40	DHGB	
CC(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223588115	ILUILPWRRDNKEQ-HXJASHHUSA-N	315.461	3.966	50	40	DHGB	
O=C(NN=C(CCl)CCl)c1ccc(-c2ccccc2)cc1	103765012	BPZQEMVYQRENTH-UHFFFAOYSA-N	321.207	3.917	50	40	DHGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc2n1C	408868353	MENAGLHKVJWMAX-OLPVWXKPSA-N	323.440	3.763	50	40	DHGB	
N#C/C(=C\c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1	1942916	YWYVYMGZYMUQGO-NTEUORMPSA-N	321.760	3.817	50	40	DHGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	14177470	JQZYEIJWRXNLKA-JLHYYAGUSA-N	312.369	3.763	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1ccc(Cl)c(N2CCCCC2)c1	34776735	WHAQNYCPUXCCDH-JTQLQIEISA-N	301.217	3.896	50	40	DHGB	
COC(=O)c1ccc(OCCCCCCBr)cc1	35585944	YJMDVOPFMOIILJ-UHFFFAOYSA-N	315.207	3.807	50	40	DHGB	
COc1ccc(OC)c(NC(=O)c2ccc(CCl)cc2)c1	37343050	WOIACDRNHVRSAJ-UHFFFAOYSA-N	305.761	3.695	50	40	DHGB	
COC(=O)CCCCCCCCCC[Si](OC)(OC)OC	196340631	ZFPBXXQXSAGJMA-UHFFFAOYSA-N	320.502	3.548	50	40	DHGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c1	409391549	JQFWCLGEMVPGCZ-JYRVWZFOSA-N	305.337	3.644	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)s1	6124821	OCBIEMRNZSMHHY-KIHYJURLSA-N	312.438	3.954	50	40	DHGB	
CC1=C/C(=N\NC(=O)c2ccc(COc3ccccc3)o2)CC1	6957274	LUCPVMOWJDNBJI-RGEXLXHISA-N	310.353	3.685	50	40	DHGB	
O=C(N/N=C1/CCCc2ccccc21)[C@H]1C[C@H]1c1ccccc1	30734350	MOHCUJHUYZSWOS-WFFNQTJDSA-N	304.393	3.647	50	40	DHGB	
CCn1cc(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21	409222342	CHUNJJCGWCIGLQ-UDWIEESQSA-N	305.381	3.734	50	40	DHGB	
Cc1nc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)co1	585125071	FTYBYHCIBKUJME-CYBMUJFWSA-N	324.497	3.609	50	40	DHGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1	1803158	BEKSVVAZMXRCNQ-NTCAYCPXSA-N	305.381	3.925	50	40	DHGB	
CC(C)=C/C(C)=N/NC(=O)COc1ccc(C)cc1C(C)C	4934238	HLULUMDSVMISCS-XDJHFCHBSA-N	302.418	3.956	50	40	DHGB	
COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1cccs1	5621045	PVSJNRYFPRTASR-CXUHLZMHSA-N	308.790	3.564	50	40	DHGB	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccc(F)cc1	9750537	SBLWGKMAMNWVGN-UHFFFAOYSA-N	313.254	3.993	50	40	DHGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1	409014239	HKKFXKXJUJLGLV-FYJGNVAPSA-N	315.332	3.582	50	40	DHGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cccs1	38164890	UHRYAWMLDNJCNX-AQTBWJFISA-N	313.426	3.502	50	40	DHGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1C	59333752	CRXCGOWQNTZXHW-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
CCc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nc1	361566	UKYMPJPEQLJOMT-DJKKODMXSA-N	322.195	3.715	50	40	DHGB	
C[C@]12CC[C@@]3(O)[C@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC=C2C#N	4029509	CWVUTLNSLUOPFE-MFKWGIFDSA-N	311.425	3.693	50	40	DHGB	biogenic
Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccccc2Cl)c1	4482766	SBZIRHWJYFTFTB-LPXFMOJISA-N	316.788	3.566	50	40	DHGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc2ccccc2[nH]1	51104106	HYZLXDITDGSINA-WQLSENKSSA-N	320.308	3.544	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1	97990619	SPEYLHOALHXEHT-PTNGSMBKSA-N	316.364	3.596	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1c[nH]c2ccccc12	228978336	KFYXMWQEICCIJA-UHFFFAOYSA-N	306.822	3.684	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3ccccc3OC)[nH]c2c1	409389930	AZOORWQAZQRNGT-LCYFTJDESA-N	305.337	3.644	50	40	DHGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(C(C)C)cc1	381240	QLPHXLDEOUTLJQ-UDWIEESQSA-N	310.397	3.648	50	40	DHGB	
COc1ccccc1/C=C(\C#N)c1nnc(-c2ccccc2)n1C	63412729	NOPYHEJECASYEN-FOWTUZBSSA-N	316.364	3.555	50	40	DHGB	
C=C[P@@](=O)(OCC)[C@](O)(CBr)c1ccccc1	547307	DHBSATWBYONGPH-SJKOYZFVSA-N	319.135	3.685	50	40	DHGB	
COC(=O)N/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2	5163754	KVDJVTZYMHQOAW-VCHYOVAHSA-N	313.382	3.975	50	40	DHGB	
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N	77985524	JYCSLUASXDFIEL-MILMJNAHSA-N	313.441	3.773	50	40	DHGB	biogenic
c1ccc([PH](c2ccccc2)(c2ccccc2)C2CC2)cc1	100211124	HQXBTJTWYLFYEH-UHFFFAOYSA-N	304.373	3.875	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccn1	232320	GIWYGJTXQGMVCN-KGENOOAVSA-N	301.349	3.513	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(Cl)c1	5671105	FSGGWFARVBXHLH-QGMBQPNBSA-N	311.143	3.896	50	40	DHGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)N1CCCCC1	12629087	BREVXGKUCVFYAF-SSZFMOIBSA-N	320.392	3.768	50	40	DHGB	
C/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1Cl	17055112	CACXISFUXIIOCV-OPFCKLNOSA-N	319.619	3.764	50	40	DHGB	
COc1ccc(NC(=O)c2ccc(CCl)cc2)cc1OC	37343034	ANDSMOGEHAAKNL-UHFFFAOYSA-N	305.761	3.695	50	40	DHGB	
CC1(C)CC(=O)C/C(=N/NC(=O)Cc2cccc3ccccc23)C1	101500669	WNUJFNSAIUABIJ-PGMHBOJBSA-N	322.408	3.634	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1ccc(F)c(Cl)c1	228920440	STJKNAULKPVDNY-UHFFFAOYSA-N	320.220	3.996	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1OC	5559221	MHIFDFDLDYYMEJ-LFIBNONCSA-N	307.349	3.884	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1	6281053	BECHEEHYYFAXMC-GDNBJRDFSA-N	322.364	3.563	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1C(C)C	6825522	QSHPPXGIPCDAMH-YBEGLDIGSA-N	323.396	3.937	50	40	DHGB	
CC(C)c1ccc(N(Cc2ccncc2)C(=O)CCl)cc1	199756499	CPDCIHXXTHSYBH-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
COC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	506282	YTLAJGMQIXUKIV-FRKPEAEDSA-N	313.140	3.943	50	40	DHGB	
CCCCCCCC(=O)N/N=C\c1ccc(O)c(OCC)c1	100165645	BXMMWMWVRWAJPU-AQTBWJFISA-N	306.406	3.602	50	40	DHGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccccc1Br	5159648	KGGRJQOPEKLFNL-CDSOTZFASA-N	309.207	3.745	50	40	DHGB	
N#C/C(=C1\C(=O)Nc2ccccc21)c1nc2ccccc2s1	5258339	IJOAATFMNIWUIY-RVDMUPIBSA-N	303.346	3.683	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)cn1	39402871	CUBLZYQPYZXTAU-NHDPSOOVSA-N	323.327	3.553	50	40	DHGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	70686556	IYGZSTAPMXRITM-XSWYFRFISA-N	317.473	3.645	50	40	DHGB	biogenic
CNC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	409005107	COFRIKFKFCPDFS-JYRVWZFOSA-N	314.429	3.640	50	40	DHGB	
O=C(CCl)Nc1ccc(Br)c(C(F)(F)F)c1	35052168	ZCLINOZPMIUKMQ-UHFFFAOYSA-N	316.504	3.645	50	40	DHGB	
[C-]#[N+][C@H](c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)cc1	59705740	SYHMCIYCFACHBI-HNNXBMFYSA-N	307.321	3.665	50	40	DHGB	
COC(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1	7154551	MBJOXJVLLJKVML-UXBLZVDNSA-N	304.758	3.543	50	40	DHGB	
COc1cccc(/C=C(/C#N)Cn2cnc3ccccc32)c1OC	408691511	BGKFZGHFJJHGKC-UVTDQMKNSA-N	319.364	3.661	50	40	DHGB	
CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408719730	KZCYMULMCBXQFA-FYJGNVAPSA-N	318.376	3.889	50	40	DHGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#N	503995526	IYGZSTAPMXRITM-CLMHFKQQSA-N	317.473	3.645	50	40	DHGB	
CCCCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12	1704781	YYBWQBAREVPJJS-RQZCQDPDSA-N	322.206	3.571	50	40	DHGB	
C[C@@H]1C/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1	5783902	FYMHMAQQXOUGGM-MUOMHZFWSA-N	303.362	3.527	50	40	DHGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)OC)cc1OCC	13141592	DGVKKZDSBWFJFC-KPKJPENVSA-N	323.776	3.607	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(OC)c1C	408543938	TZYOUYBRANYHAN-YBEGLDIGSA-N	323.348	3.775	50	40	DHGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cccc2ccccc12	409376653	CGTDTVFRWZXMFN-LDADJPATSA-N	315.376	3.935	50	40	DHGB	
C[C@H]1C[C@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@@H]1CC[C@@H]2C1	105305148	SVRPOTXJQJBPHV-CZZGCGFHSA-N	312.413	3.570	50	40	DHGB	
CC(C)(C)c1ccc(NC(=O)CCl)c(Br)c1	163003	XZCBSDBURISGIH-UHFFFAOYSA-N	304.615	3.924	50	40	DHGB	
Cc1ccc([C@H](NC(=O)N2CCCC2)C(Cl)Cl)cc1F	3212513	YZGZHUPGLAVMTE-LBPRGKRZSA-N	319.207	3.784	50	40	DHGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccc(C)nc1	48860887	YRJNNSGKDJFYCD-MVVDTWQCSA-N	305.381	3.765	50	40	DHGB	
O=C(N/N=C/c1ccccc1)C12[C@H]3CCC[C@H]1C32c1ccccc1	102412220	HPYLMANWVPBFCV-XWJCAXARSA-N	316.404	3.505	50	40	DHGB	
O=[P@](Cl)(c1ccccc1)N(CCCl)CCCl	104384402	AWBLLTUSFJZPPX-INIZCTEOSA-N	300.553	3.523	50	40	DHGB	
COc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1	216855161	XIYXHYJRIDONEN-UHFFFAOYSA-N	316.744	3.681	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	6292447	AWDPDXANTHISHR-WJDWOHSUSA-N	304.305	3.671	50	40	DHGB	
CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	27023398	AKSFMINXWRSAQN-XFXZXTDPSA-N	300.745	3.643	50	40	DHGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1nc2ccccc2s1	4680007	UDMWIIOPWVXUHX-FMIVXFBMSA-N	321.361	3.548	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccccn1	17056524	NWHUUKMRQVOIJD-KGENOOAVSA-N	323.396	3.557	50	40	DHGB	
CCOC(=O)c1ccc(Br)c(CBr)c1	113193628	BMPAWOLCRAJVPC-UHFFFAOYSA-N	321.996	3.521	50	40	DHGB	
O=C(N/N=C/c1ccc(F)s1)c1ccc(Cl)c(Cl)c1	252479543	BHHFBXCWWGXEAF-OMCISZLKSA-N	317.172	3.958	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1	7158016	OFKZHCSLWOCAFD-AWWQTPIYSA-N	312.413	3.687	50	40	DHGB	
Cc1cc(NC(=O)NN(c2ccccc2)c2ccccc2)no1	14136342	OHOOVMVQRVZWPQ-UHFFFAOYSA-N	308.341	3.858	50	40	DHGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccsc2)c1	408994615	GUILURODXKKKHK-YBFXNURJSA-N	323.421	3.920	50	40	DHGB	
Cc1ccc(C)c(COc2ccc(C)nc2NC(=O)CCl)c1	163477	GXVGVWYUXWJEQA-UHFFFAOYSA-N	318.804	3.763	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(F)c1	409103834	WZSAUIVQBWJJJI-VXLYETTFSA-N	320.751	3.642	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@H]3C)o2)cc1	4950475	SXJYDTWWOPGZFP-GEJHTUIBSA-N	322.364	3.957	50	40	DHGB	
COc1ccc(C(=O)N/N=C\c2cccc(Cl)c2Cl)cc1	33319257	SAOIOEHRKYAQBI-NVMNQCDNSA-N	323.179	3.766	50	40	DHGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)NCc1ccccc1	33471944	NNWPVTXQNVHXSY-LCYFTJDESA-N	314.747	3.702	50	40	DHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1	5370475	MXJCXHSPHYKROJ-OTGIAGGSSA-N	316.401	3.598	50	40	DHGB	
N#C/C(=C\c1c(Cl)nc2ccccn12)c1nc2ccccc2[nH]1	8425108	CJOMYUMHHIGUAK-PKNBQFBNSA-N	319.755	3.928	50	40	DHGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(C)cc2s1	20132222	UKZCKRVCXRUMEH-MRVPVSSYSA-N	313.220	3.717	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C\c1cccc(Cl)c1Cl	33322893	YVKHUQPKEPKMPC-ZDLGFXPLSA-N	307.180	3.686	50	40	DHGB	
Cc1cnc(-c2cccc(NC(=O)/C(C#N)=C\c3ccco3)c2)o1	66857401	AJRFAFHNXVENCJ-ZROIWOOFSA-N	319.320	3.789	50	40	DHGB	
CCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1	1702898	OZUPGKGJMRSPDT-XSFVSMFZSA-N	310.397	3.906	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc(Cl)cc2)c1	31841462	GOJYRGTXBLLQHS-JFENUBAZSA-N	316.788	3.566	50	40	DHGB	
Cc1c(/C=N/NC(=O)Nc2ccccc2)c2ccccc2n1C	75286929	DCGUAQCMVYECPT-XDHOZWIPSA-N	306.369	3.642	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C	409107869	XIMJRZIQSUWBOK-BOPFTXTBSA-N	307.397	3.979	50	40	DHGB	
CCOC(=O)c1c(N)sc(SC#N)c1-c1ccccc1	365777	MLIREKWWOLWNSH-UHFFFAOYSA-N	304.396	3.747	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(C)c1	59432866	SRTRQRRGKASQFB-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
N#CCOc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	59465330	UCFCPVJKWSEIKK-PTNGSMBKSA-N	305.293	3.561	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1	140211	HXORABOFKYPHMA-FOWTUZBSSA-N	306.365	3.803	50	40	DHGB	
CCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1	1580152	BXMMWMWVRWAJPU-QGOAFFKASA-N	306.406	3.602	50	40	DHGB	
O=C(Cl)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12	2564279	GHMRATQJEXMGOX-UHFFFAOYSA-N	307.687	3.713	50	40	DHGB	
CC[C@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2s1	4979237	UOCBOJOXLOCWBC-SMBGSVLFSA-N	321.471	3.927	50	40	DHGB	
Cc1ccc(NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl	9051464	IYFYZPOLBISBRL-UHFFFAOYSA-N	319.748	3.622	50	40	DHGB	
CC/C(=N\NC(=O)C1CCCC1)c1cccc(Br)c1	15934542	UXSRNOWUVAWVDS-SAPNQHFASA-N	323.234	3.870	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1	408764730	VFWJRMFNAQJWBQ-SRZZPIQSSA-N	320.314	3.707	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1	409361237	BJDMGXHAVQJZLR-FYJGNVAPSA-N	319.408	3.732	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)cc1	409363253	KWFIKGKZSJDOGO-XDHOZWIPSA-N	300.789	3.595	50	40	DHGB	
CCc1ccc(CCC(=O)NNc2cccc(Cl)c2)cc1	30612198	ISTFQKDWKJZHBF-UHFFFAOYSA-N	302.805	3.978	50	40	DHGB	
Cc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	111924	VHLDZXHOAOXRBN-MHWRWJLKSA-N	317.797	3.987	50	40	DHGB	
CCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1	9109305	FQSZXNLVKYIQMT-CQSZACIVSA-N	300.427	3.867	50	40	DHGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccco1	20248005	NLOUEIRBHYUCEL-MHWRWJLKSA-N	308.790	3.566	50	40	DHGB	
Cc1cccc(C2=NN(C(=O)CCCl)[C@H](c3ccco3)C2)c1	89669304	OHUQWZXHJYBIDZ-HNNXBMFYSA-N	316.788	3.895	50	40	DHGB	
N#C/C(=C\c1ccccc1OCC(=O)O)c1ccc(Cl)cc1	408579182	DHUJOLIPEOROPU-NTEUORMPSA-N	313.740	3.868	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccccc2C)C1	182576	RDOIQYFIBIMAPA-TXCMAPRMSA-N	312.413	3.778	50	40	DHGB	
CCc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1	409234469	WYKLKUYORLNUIU-HKWRFOASSA-N	318.420	3.905	50	40	DHGB	
Cc1cc(C)c2nc(NNC(=O)c3ccccc3F)sc2c1	251198	XDWUSHKMYDMWLT-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
O=C(CCl)Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1	3886904	ABTKOAHAPZLZIO-UHFFFAOYSA-N	323.711	3.655	50	40	DHGB	
CC(/C=C/c1ccco1)=N\NC(=O)Cc1ccc(Cl)cc1	4724594	CKIHAKVMTZYVBZ-UNBAWRAZSA-N	302.761	3.681	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1	5316755	SZFXLQXNFALWDT-ZIPUBWIGSA-N	322.408	3.729	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1	5953642	RUNWKCUANZTGMR-UVTDQMKNSA-N	310.328	3.770	50	40	DHGB	
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C)o1	6216167	WTXFKONTTBFYME-DEDYPNTBSA-N	307.353	3.599	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1[nH]c2ccccc2c1Cl	2750272	HBEGGWINVADCCD-YBFXNURJSA-N	311.772	3.514	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1OC(F)F	6510363	JUVXGNUOFJDWNV-DHZHZOJOSA-N	309.312	3.819	50	40	DHGB	
CC(C)(C)OC(=O)CCCCCCI	34530248	XOJHORWRHKZWFH-UHFFFAOYSA-N	312.191	3.714	50	40	DHGB	
Cc1nn(C)c(C)c1NC(=O)CCCC[C@H]1CCSS1	41973758	VIUDTQIBXFTOSY-LBPRGKRZSA-N	313.492	3.690	50	40	DHGB	biogenic
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)o1	408587444	FYJKGKBNHSJZJH-UDWIEESQSA-N	321.380	3.759	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@H](c2c(F)cccc2Cl)CC(=O)N1	1392210	YLMKNKBLLIBTEB-SECBINFHSA-N	306.768	3.906	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1F)c1ccc2ccccc2c1O	101159182	HQICXPCWGCVBOY-CIAFOILYSA-N	322.339	3.839	50	40	DHGB	
O=C(NN=Cc1ccccn1)c1sc2ccccc2c1Cl	245226093	HTQZYIIYSDEKEQ-UHFFFAOYSA-N	315.785	3.714	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1	408941434	WOLQXJKKFPTOGY-ATVHPVEESA-N	316.360	3.553	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(Cl)c1	357918	QZUFOZXFPHBTED-VXLYETTFSA-N	311.772	3.894	50	40	DHGB	
CSc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1	33417931	QXXCSVVUGOVWQK-LGMDPLHJSA-N	322.433	3.674	50	40	DHGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3CC=C[C@H]23)c(C)n1-c1ccccc1	89580002	MOBPVRRYHFDDPE-PMFSDDQESA-N	319.408	3.776	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(F)cc1	100195394	TWVJWULAJGYABS-AUWJEWJLSA-N	316.339	3.834	50	40	DHGB	
CCOC(=N)c1cc(Br)ccc1CBr	228966352	ICHYSCXCMLWMKG-UHFFFAOYSA-N	321.012	3.706	50	40	DHGB	
Cc1c(/C=N/NC(=O)Nc2ccc(F)cc2)c2ccccc2n1C	408851971	OMSHIJPQQJPPBV-RGVLZGJSSA-N	324.359	3.781	50	40	DHGB	
CCn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812177	OCQXLBFSNDRAMB-CIAFOILYSA-N	323.371	3.873	50	40	DHGB	
C[C@H]1C[C@H](C)CN(c2ccc(Cl)cc2NC(=O)CCl)C1	34776909	YHSMVJDYVXZGAD-QWRGUYRKSA-N	315.244	4.000	50	40	DHGB	
ClCCOc1cc2ncnc(Cl)c2cc1OCCCl	72399588	WXAZLCUYDRYLFC-UHFFFAOYSA-N	321.591	3.518	50	40	DHGB	in-vitro
Cn1c(SCCCCl)nnc1-c1cccc(Cl)c1	228929873	OWOGEKBZXHDREH-UHFFFAOYSA-N	302.230	3.857	50	40	DHGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)C(C)(C)C	5479972	YJVUSMRBXLIAEA-RQZCQDPDSA-N	317.216	3.910	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1	5480108	IGXGHUSPFOPOFT-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
CCOc1ccccc1-c1nnc(SCCCCl)n1C	228926633	RRPBVOQSQCQBMA-UHFFFAOYSA-N	311.838	3.602	50	40	DHGB	
Cc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)s1	409221390	PPUPSPRSYFWQTN-VBKFSLOCSA-N	310.422	3.713	50	40	DHGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21	573539	DMMLMXMIYXRAQR-UDWIEESQSA-N	321.380	3.801	50	40	DHGB	
COc1cc(/C=C(\C#N)c2nc(C)cs2)cc(OC)c1OC	8079312	WXGHZVOFFMEUKF-LFYBBSHMSA-N	316.382	3.542	50	40	DHGB	
CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1	13964599	LLTMJZFNACEOMW-DEDYPNTBSA-N	310.397	3.513	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c(C)c1	15220068	KEEXDTBAUHVOKP-NVNXTCNLSA-N	320.348	3.578	50	40	DHGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1cccc(Cl)c1Cl	564042	OFAGIECFKIKHJC-DHZHZOJOSA-N	318.163	3.934	50	40	DHGB	
Cc1ccc([C@@H](NC(=O)N2CCCC2)C(Cl)Cl)cc1F	3212514	YZGZHUPGLAVMTE-GFCCVEGCSA-N	319.207	3.784	50	40	DHGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)C(=O)c1ccccc1	3897817	RFIUGDGFTQKRBC-CYBMUJFWSA-N	308.164	3.769	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)o1	6216201	ZZEOBPGKEPSQKV-YBFXNURJSA-N	300.402	3.645	50	40	DHGB	
O=C(/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	13111922	JLKKNIUHTVKIDM-GIJQJNRQSA-N	321.163	3.592	50	40	DHGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	42645483	QQWDHQZLZQSSQC-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1	100177009	PVITVAVLXUKEFR-BZMDALAISA-N	314.429	3.752	50	40	DHGB	
CSCC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1Cl	5275130	MZRNTNPSQGFSBT-VURMDHGXSA-N	301.198	3.745	50	40	DHGB	
COc1ccc(CC(=O)N/N=C(\CC(C)C)c2ccccc2)cc1	15938724	FTRVLOAFVBFMQR-XUTLUUPISA-N	324.424	3.804	50	40	DHGB	
O=C(CCCC[C@H]1CCSS1)NCC(=O)c1ccccc1	96113834	QZTTVKGIITVVFF-AWEZNQCLSA-N	323.483	3.700	50	40	DHGB	biogenic
CCCOc1ccc(C(=O)N/N=C(\CC)c2ccco2)cc1	216067534	NZDWUPZUVCFRDR-OBGWFSINSA-N	300.358	3.613	50	40	DHGB	
CC[C@@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(C)c1	408604516	UZXBKKADGYBCKI-OOWUWCJESA-N	310.397	3.936	50	40	DHGB	
COC(=O)Cn1cc(/C=C(\C#N)c2ccccc2)c2ccccc21	408775272	OZFSNOQACGCUDR-LFIBNONCSA-N	316.360	3.878	50	40	DHGB	
C=CC(=O)OCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	627276267	URYJWSOWCYQBBL-UHFFFAOYSA-N	310.435	3.569	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1	5917292	VJAQFMDVYWTVIR-RAXLEYEMSA-N	312.756	3.894	50	40	DHGB	
N#C[C@H](C(=O)CCl)c1nc(-c2ccc(Cl)cc2)cs1	11765360	ALRPORUQKILROG-SNVBAGLBSA-N	311.193	3.879	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(Cl)cc1Cl	33303459	VYZWRDWAGCDDDI-ZDLGFXPLSA-N	307.180	3.686	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC	40865763	VLTVRBHZABLMLQ-FOWTUZBSSA-N	306.365	3.803	50	40	DHGB	
C[C@@H]1C[C@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@H]1CC[C@@H]2C1	100761765	SVRPOTXJQJBPHV-PREFRQFKSA-N	312.413	3.570	50	40	DHGB	
N#C/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1	2581819	VDWDUJJWMCDGHH-XNTDXEJSSA-N	308.362	3.506	50	40	DHGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N(C)C)cc2)c1	59333708	NULZLIUGRFJPFS-PDGQHHTCSA-N	320.392	3.569	50	40	DHGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1	408979161	PHHUGPBDYZYZTJ-SFQUDFHCSA-N	322.412	3.594	50	40	DHGB	
O=C(N/N=C/c1ccc2ccccc2c1O)c1cccc(Cl)c1	64395	NUIXWYJEHWJXCG-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
CCOc1ccc(/C=N/NC(=O)CC2CCCCC2)cc1OC	1754389	QFFIRXWDRDBALU-CPNJWEJPSA-N	318.417	3.514	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1cc2ccccc2cc1O	107904412	FHDFNOYOFXNWQI-WRCZOESKSA-N	308.381	3.697	50	40	DHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	5294637	RDAJSVPCVMIMCP-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)n1C	67300009	VTPOIKMQGHPHDZ-ZRDIBKRKSA-N	314.772	3.816	50	40	DHGB	
O=C(CCl)Nc1ccc2nc(-c3cccc(F)c3)oc2c1	216856714	PMAMPZVKJVXSAT-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
O=C(NN=Cc1ccco1)c1sc2ccccc2c1Cl	250526442	HHZUKZZSKIPRFD-UHFFFAOYSA-N	304.758	3.912	50	40	DHGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C	408774787	CURDSVDNAQRTFD-ATVHPVEESA-N	313.445	3.995	50	40	DHGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408812575	PCHGTSYDHOIBCN-NTCAYCPXSA-N	320.348	3.503	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	70472	AYTXPCWHQHUZSD-XNTDXEJSSA-N	307.309	3.617	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCc1cccs1	781435	SLIGRVWSIGIDPS-UKTHLTGXSA-N	321.405	3.761	50	40	DHGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@H]2CC[C@@H]1C2	17031437	JTXMUFJZYYCMDM-BDHDLZQUSA-N	306.793	3.588	50	40	DHGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100015138	XATLHBQMSOZWBO-UHFFFAOYSA-N	316.041	3.586	50	40	DHGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccc(Cl)cc1	107659407	TUHJBJUOOCXCIF-AWEZNQCLSA-N	319.744	3.584	50	40	DHGB	
C[C@H](Br)C(=O)c1ccc(CBr)cc1	215849419	CACLYAKUZZTTHO-ZETCQYMHSA-N	305.997	3.548	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C(/c2ccccc2)C(C)C)cc1	408532057	PNHHTCCJMDFVNP-ZBJSNUHESA-N	309.413	3.583	50	40	DHGB	
Cc1cc(N(CCCl)CCCl)ccc1C1OCCCO1	1662307	SYDLXYALWNYKTJ-UHFFFAOYSA-N	318.244	3.715	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(O)c(OC)c1	1720890	SGYBSOKDKDLGAI-XYOKQWHBSA-N	311.274	3.531	50	40	DHGB	
Cc1ccccc1[C@@H]1C(C#N)=C(N)S[C@H]1C(=O)c1ccccc1	4149714	JURXONPFVKNZJL-SJLPKXTDSA-N	320.417	3.771	50	40	DHGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccccc1O	5174731	DHICHJULOGJMJT-KGENOOAVSA-N	318.376	3.628	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c(F)cccc1F)c1ccccc1	7157177	HQQVMNUGVJMHEC-HLVNSREUSA-N	312.319	3.749	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1	8523417	DPIGDBMHESLMNU-UDWIEESQSA-N	310.328	3.655	50	40	DHGB	
CCOc1ccc(/C(C)=N\NC(=O)c2ccccc2Cl)cc1	32186329	JCMXXBSNOYCBOU-UNOMPAQXSA-N	316.788	3.893	50	40	DHGB	
CCCCCCCCCCCC(=O)OC(=O)[C@@H]1CCCN1O	100100238	BNGMUEBLFJDUMH-HNNXBMFYSA-N	313.438	3.831	50	40	DHGB	
CO[Si](CCCCCCCCCCC[N+](=O)[O-])(OC)OC	198526699	BSSUIWVYRUTGBR-UHFFFAOYSA-N	321.490	3.652	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccccc2)cc1	262660	ZARZZORAEUNVCI-ZCPHBQKFSA-N	304.349	3.797	50	40	DHGB	
CCOC(=O)NN(C/C(Cl)=C\Cl)C/C(Cl)=C\Cl	8618924	DCQFTNCCVVUHFW-FCXRPNKRSA-N	322.019	3.588	50	40	DHGB	
BrCc1ccc(-c2noc(-c3cccnc3)n2)cc1	8925742	NHGSQGLQHNOGEA-UHFFFAOYSA-N	316.158	3.694	50	40	DHGB	
CCc1ccc(CCC(=O)Nc2ccc(SC#N)cc2)o1	12274153	QRTRHZUZSZXKJY-UHFFFAOYSA-N	300.383	3.986	50	40	DHGB	
O=C(CBr)c1cc(Cl)cc(Br)c1	98210703	JZDHBNBZUDANLV-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccco1	408727062	OLMCICAJRDWIAL-YBFXNURJSA-N	324.405	3.816	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1C	408778853	MPNVAGUUFJTRNX-QGMBQPNBSA-N	324.211	3.713	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C	408871253	YFZWCHMPTIUIIU-GDZOKYCISA-N	309.413	3.753	50	40	DHGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	6959856	YLOXWCRUAQSXPK-XSFVSMFZSA-N	310.397	3.938	50	40	DHGB	
CC(C)(C)C(=O)CP(=O)(c1ccccc1)c1ccccc1	68568433	ZUPMDUCYTDTNKV-UHFFFAOYSA-N	300.338	3.616	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br	252394288	FHVGJKHYXYNWHN-JJJFEILQSA-N	321.218	3.601	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	497872	VWEJUPFTVSCSHH-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccc(O)cc1	1107699	OLOWXJUTOSEZFS-VQHVLOKHSA-N	304.758	3.653	50	40	DHGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccs2)cc1	1319467	YRWMYMKQUGLLGB-FHXOWUIVSA-N	316.426	3.791	50	40	DHGB	
Cc1nc2ccc(N/C=C(\C=O)c3nc4ccccc4o3)cc2[nH]1	5336369	FQQJAAMJAHQQMU-FMIVXFBMSA-N	318.336	3.664	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1	408787506	BBKBXAVTGHXTJT-DHZHZOJOSA-N	316.744	3.796	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)c1	408814721	ZOFSXWUIJZKCIX-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
CN(NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1	12915859	NPOKOPGZKJWPSK-UHFFFAOYSA-N	309.196	3.704	50	40	DHGB	
N#C/C(=C\c1ccc[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1	2744103	PCEVHNVBVCMNSV-JXMROGBWSA-N	305.259	3.579	50	40	DHGB	
COC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	4513556	XKODERHXFVFYTG-VCHYOVAHSA-N	318.760	3.609	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1	7158014	OFKZHCSLWOCAFD-MRJXLTKZSA-N	312.413	3.687	50	40	DHGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(C)cc2)c(C)c1	61660	AFMHVEVLHLUASH-KGENOOAVSA-N	324.424	3.785	50	40	DHGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	2738260	ZEARVGFABJWDRJ-PKNBQFBNSA-N	315.760	3.545	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	5667252	NKMMQQKVPCQRMW-FGCHFJFUSA-N	306.409	3.893	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	15219120	ZVXCPJGRPFYOIX-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
CC(C)c1cc(C(=O)N/N=C/c2ccoc2)c(O)c(C(C)C)c1	15934303	UIHUDCHJXXRNET-DJKKODMXSA-N	314.385	3.996	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1	33392819	YJVHFHGCYRCUHE-VBKFSLOCSA-N	313.360	3.948	50	40	DHGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	97959805	YBLROZQZIJILBW-YRNVUSSQSA-N	320.739	3.767	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(F)cc2)cc1	409136357	YTIOQFLBJDGIEF-OTGIAGGSSA-N	316.401	3.765	50	40	DHGB	
O=C(NC1c2ccccc2Oc2ccccc21)OCCCl	1865460	JRLKFKOIJWGLLN-UHFFFAOYSA-N	303.745	3.847	50	40	DHGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cccs1	59436942	IIZSOMNDFBIOND-JASJWYONSA-N	304.440	3.769	50	40	DHGB	
COc1ccc(/C(C#N)=C2/C=C/C(=N\O)C(C)=C2Cl)cc1	102806297	XABHEHXHSDMSFU-GCYSJDCNSA-N	300.745	3.885	50	40	DHGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)c1	408771619	JTLLYNPONQUWKI-YVLHZVERSA-N	307.397	3.804	50	40	DHGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccs1	131829	VMGKHCBQQCETDU-KZKLBEMASA-N	323.421	3.852	50	40	DHGB	
CC(/C=N/NC(=O)COc1ccc(C)cc1)=C\c1ccccc1	3102657	PZMYCQOXVDGTTF-GEEUODSKSA-N	308.381	3.579	50	40	DHGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1O	3136114	FYRJTEJKIUDLGK-UHFFFAOYSA-N	314.344	3.555	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)Cc2ccc(OC)cc2)C1	12403939	RAKGCRPEWOOAFK-RJCBAWPRSA-N	312.413	3.642	50	40	DHGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139600	RLXAINFBPFDNKG-LXCUCXDDSA-N	304.340	3.567	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc2ccccc2cc1O	102126542	FHDFNOYOFXNWQI-MHFWZBKHSA-N	308.381	3.697	50	40	DHGB	
CCN(CC)Cc1cccc(N(CCCl)CCCl)c1	2033369	BWMVNPBSZNEUJA-UHFFFAOYSA-N	303.277	3.812	50	40	DHGB	
O=C(CCCl)N1N=C(c2ccccc2)C[C@H]1c1ccco1	32936376	WEOZNXIZMAWXFW-AWEZNQCLSA-N	302.761	3.586	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)cc1	7714513	DVYIDDBVXXIJMB-FOWTUZBSSA-N	307.349	3.884	50	40	DHGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl	17054471	UWMCTIGTSFOHHC-JXMROGBWSA-N	318.163	3.934	50	40	DHGB	
COc1cc(C/C(C#N)=C/Nc2ccccc2)cc(OC)c1OC	100329795	LMGNGGBSQVPQCO-SQFISAMPSA-N	324.380	3.774	50	40	DHGB	in-vitro
O=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1	55537	WQMOWVGZKGIPPZ-BMWMMMPHSA-N	304.802	3.673	50	40	DHGB	
Cc1ccc(C2=C(C#N)[C@@H](c3ccccc3)C(C#N)=C(N)O2)cc1	5460811	AQCFDHRGYJMAFT-GOSISDBHSA-N	313.360	3.738	50	40	DHGB	
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1cccs1	5862848	UYXVENLCHCCRDJ-XDHOZWIPSA-N	309.394	3.759	50	40	DHGB	
N#C/C(C(=O)COc1ccccc1)=C1\Nc2ccccc2S1	100468119	ROMHCQZTEWOVSF-LGMDPLHJSA-N	308.362	3.587	50	40	DHGB	
CC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409068762	VEBMKNFSDKLFHQ-LICLKQGHSA-N	304.802	3.961	50	40	DHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1	112792	RFBBRQKCJCNECL-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	220695	MHNAEANQXPNPPZ-LPYMAVHISA-N	323.440	3.855	50	40	DHGB	
CC[C@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1	2768002	SVMRIYWJESACIK-ZETCQYMHSA-N	317.241	3.877	50	40	DHGB	
Cc1ccc(OCCOc2ccc(C=C(C#N)C#N)cc2)cc1	4182036	GNBKJOBJNKOBSU-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/[C@H]2CC=CCC2)cc1	5445751	IGNBEDGYRVPNCA-NPRIEWAGSA-N	314.429	3.821	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)s1	20195548	HGDQFCDYXAMLBB-WOJGMQOQSA-N	300.427	3.620	50	40	DHGB	
O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1CCCl	36626576	JMFIEWGQRAMQQI-ZDUSSCGKSA-N	320.801	3.512	50	40	DHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/C(C)(C)CCC#N	408720213	VZXHFJSMKFPFJU-ITRAFESCSA-N	317.458	3.740	50	40	DHGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccco1	1949982	VSIBXJUSNOXUJI-WOJGMQOQSA-N	320.776	3.551	50	40	DHGB	
CCCSC1=C(C#N)[C@H](c2ccc(CC)cc2)CC(=O)N1	2481088	KIHGJLVZMJJQHV-AWEZNQCLSA-N	300.427	3.731	50	40	DHGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccccc1	2751417	OIISYGKDLRWAOF-FYJGNVAPSA-N	324.424	3.822	50	40	DHGB	
N#Cc1c(NC(=O)CCl)oc(-c2ccco2)c1-c1ccco1	3269662	VZSZEDDJEQERHY-UHFFFAOYSA-N	316.700	3.849	50	40	DHGB	
Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc([N+](=O)[O-])cc1	7984135	FVKNPHXUJHFJBG-UHFFFAOYSA-N	324.292	3.777	50	40	DHGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C\C=C\c2ccccc2)cc1	12461715	MGSQKWAXSVOLCT-BPEFKZBPSA-N	308.381	3.578	50	40	DHGB	
C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc2ccccc2c1	13646670	PAADXXCQDNMDOY-NDENLUEZSA-N	318.380	3.594	50	40	DHGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccccc3)oc12	216854200	IBMIRFNXZHRYAF-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
CCOc1ccc(N[C@@H](C)C(=O)NN=C2CCCC[C@H]2C)cc1	5797096	OTUJSBCXCMHNQY-KGLIPLIRSA-N	317.433	3.568	50	40	DHGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1	8513500	BNLZTCOJCUOFOS-ZROIWOOFSA-N	307.740	3.757	50	40	DHGB	
Cc1c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cnn1C	17031355	WMYJOYBZFXHSPZ-RIYZIHGNSA-N	306.394	3.916	50	40	DHGB	
CCOc1ccc(/C(C)=N\NC(=O)c2ccc(Cl)cc2)cc1	32186287	ONMXFIJUMLPEHN-UNOMPAQXSA-N	316.788	3.893	50	40	DHGB	
CC[C@H](I)CC(F)(F)C(F)(F)F	98210378	WIDUQGXFQBTUKZ-BYPYZUCNSA-N	302.024	3.788	50	40	DHGB	
N[C@@H]1c2ccccc2C[C@H]1P(c1ccccc1)c1ccccc1	100004872	IALYUOSURKZWLR-NHCUHLMSSA-N	317.372	3.744	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	408808555	JJGNODAILHDFTP-WDGDVPDHSA-N	308.381	3.670	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(F)cc2)cc1	409136356	YTIOQFLBJDGIEF-MDBUFAAASA-N	316.401	3.765	50	40	DHGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1	59144	JNTLRDRJWDNFOL-VCHYOVAHSA-N	318.829	3.724	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1	333643	KGXZLQRGNGWNPW-AWEZNQCLSA-N	323.179	3.664	50	40	DHGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2C)cc1	497993	SPABPLWSXAGBTK-XSFVSMFZSA-N	309.413	3.605	50	40	DHGB	
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1	5337144	SFEBKCJOPKPLMH-ZHACJKMWSA-N	306.281	3.713	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)s1)c1c[nH]c2ccccc12	5685495	PXZRIQULSYQXJN-REZTVBANSA-N	303.774	3.647	50	40	DHGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(C(C)C)cc1	5711289	YRKUIRFDQXCYQA-UHFFFAOYSA-N	317.433	3.821	50	40	DHGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C2	103610542	PBZQZWBGJHLGKB-PDZYETQYSA-N	315.373	3.527	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)Cn2cnc3ccccc32)c1	408691639	JTDFOWRULYUJNH-ZROIWOOFSA-N	319.364	3.661	50	40	DHGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	41741	NOZDSVWRAOOZOE-GIJQJNRQSA-N	323.179	3.523	50	40	DHGB	
COC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	519875	NREDXPMPAFKZRK-FRKPEAEDSA-N	313.140	3.943	50	40	DHGB	
Cc1cc(C)c2nc(NNC(=O)c3cccc(F)c3)sc2c1	4121442	QFHOLNRJVMMPKO-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	34776891	IWFJDRBPAPGPPO-SNVBAGLBSA-N	301.217	3.896	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1	509894	FCZSOCZNOTTWKK-SDNWHVSQSA-N	314.772	3.834	50	40	DHGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	3320522	PHWIJNDCOVRBIG-RVDMUPIBSA-N	308.381	3.800	50	40	DHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	4544427	ARJRIODXTMVTTN-FZHYZTHSSA-N	302.805	3.942	50	40	DHGB	
CCCCCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1	4705113	MPRZSGPMSFGBJH-LTGZKZEYSA-N	324.424	3.948	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c1	208360273	GMFOFKOFRMWLTM-UKTHLTGXSA-N	317.348	3.722	50	40	DHGB	
Cc1sc(-c2ccc3c(c2)OCO3)nc1CBr	225964719	BTGUPPYOIARTNT-UHFFFAOYSA-N	312.188	3.742	50	40	DHGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)CC#N)cc2)cc1	409233503	KWKARUHOXIJZQD-XDHOZWIPSA-N	309.394	3.510	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccc(Cl)cc1	3907200	MCEREHDEVFUTFS-HNNXBMFYSA-N	321.771	3.507	50	40	DHGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccc(Cl)s1	5621201	DPXGPFPTIJIIMI-CXUHLZMHSA-N	308.790	3.564	50	40	DHGB	
CCOc1ccc(-c2nnc(SCCCCl)n2C)cc1	228931334	JCFRJLHGKHGROI-UHFFFAOYSA-N	311.838	3.602	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1cccs1	408839513	ACIVJDFNMWTUSM-GHRIWEEISA-N	318.467	3.830	50	40	DHGB	
CC1=CC[C@H](/C=N/NC(=O)COc2ccc(Cl)c(C)c2)CC1	4132159	RMQKUIMGRWOJCL-FVOVHSBVSA-N	320.820	3.876	50	40	DHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/C(C)(C)CCC#N	5362334	SYUSRAFHZIVCPT-HTMJNSLASA-N	303.431	3.599	50	40	DHGB	
O=C(CBr)c1cc(C(F)(F)F)c(F)cc1F	259431594	FUELWVCDVWMICJ-UHFFFAOYSA-N	303.024	3.561	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCC(=O)O	409044371	BPYZRUHEPAQZJX-YBEGLDIGSA-N	323.348	3.613	50	40	DHGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C	409073291	LWYJLSAWFNOMFS-VCHYOVAHSA-N	303.793	3.542	50	40	DHGB	
N#C/C(=C\c1cccc2c1OCO2)c1ccc(C(F)(F)F)cn1	44026616	OKQIZARXEJBASH-IZZDOVSWSA-N	318.254	3.893	50	40	DHGB	
Nc1c(Cl)cc(CN(CCCl)CCCl)cc1Cl	1701368	GWVXIKHREKBAKZ-UHFFFAOYSA-N	316.059	3.855	50	40	DHGB	
CN(C)/C=C(\C#N)C(=O)c1ccccc1Oc1cccc(F)c1	4105367	AYTVPEBCFIBJOR-OUKQBFOZSA-N	310.328	3.770	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	4453824	DWCBBRWDWCEGNV-UKTHLTGXSA-N	305.337	3.644	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cccs1	28616362	BZUPRSLLCWTNSZ-WUXMJOGZSA-N	304.378	3.757	50	40	DHGB	
Cc1cc2c(cc1/C=C(/C#N)c1nc3ccc(F)cc3[nH]1)OCO2	408568799	LCZRDDHRMRDFJP-XGICHPGQSA-N	321.311	3.803	50	40	DHGB	
O=C(N/N=C\c1cccs1)c1cc2cc(Cl)ccc2o1	409017844	QUHDEXLSVAQAPI-PXNMLYILSA-N	304.758	3.912	50	40	DHGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1	4454008	KXXOZUYRZVMOIJ-XNTDXEJSSA-N	317.348	3.722	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)cc1C	5542228	UPULGZMUAHGMHN-CDDVYSJNSA-N	306.409	3.947	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\C2=Cc3ccccc3OC2)cc1	6881552	LVHGMJOKGYCXOP-BOPFTXTBSA-N	316.360	3.860	50	40	DHGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1	13325282	LENQNKOOBSBIHK-KKQVRFOCSA-N	312.800	3.984	50	40	DHGB	
Cc1nc2c(Cl)cccc2c2c1C[C@H](CBr)O2	552313	QRHRGVPXPOUGHZ-MRVPVSSYSA-N	312.594	3.895	50	40	DHGB	
O=C(Cl)/C=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	95704876	GSYGBEXUBYFAJP-FNORWQNLSA-N	320.757	3.920	50	40	DHGB	
O=C1OC(=O)[C@@H]2[C@H]3CCCC[C@@H]3c3ccc4ccccc4c3[C@H]12	101013200	GMVBBHPSZDEHRJ-ZZCKCESHSA-N	306.361	3.910	50	40	DHGB	
O=C(N/N=C\c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1	409017658	GMHGXQYWCYKWHC-OCKHKDLRSA-N	316.719	3.989	50	40	DHGB	
Cc1ccc2c(c1)Oc1ccc(NC(=O)CCl)cc1C(=O)N2	4105375	MCYVKFXWVMREIA-UHFFFAOYSA-N	316.744	3.530	50	40	DHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1csc2c1CCCC2	370499	LTYKQLZEBOXBRH-KEBDBYFISA-N	323.421	3.872	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1	1083699	LUMQKSYMAHCNEM-OQLLNIDSSA-N	320.348	3.523	50	40	DHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	3570310	UPPRNOQASYIWIE-QGOAFFKASA-N	320.392	3.699	50	40	DHGB	
COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OC	6174825	VNUFQBDFDAPKSS-ZROIWOOFSA-N	310.309	3.676	50	40	DHGB	
CCCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1C	20194898	QEWYSEFYAZSVRP-KGENOOAVSA-N	324.424	3.785	50	40	DHGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccccc1	33294904	IOIRWANXKDCQQN-ZHZULCJRSA-N	318.380	3.539	50	40	DHGB	
C=CCn1c(C)c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21	303614	USTFRJJCJWKIHN-PTNGSMBKSA-N	307.397	3.567	50	40	DHGB	
CCOc1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)cc1	6418540	ITRINVREETXNMI-BUHFOSPRSA-N	318.380	3.949	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1	44028770	XKRSIMUERWTRFJ-OQLLNIDSSA-N	321.332	3.604	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccccc1)c1cccc2ccccc12	57611031	INVKTMLJPOCZEU-PXLXIMEGSA-N	317.392	3.792	50	40	DHGB	
O=C(CCl)Nc1ccc(N2CCCCCC2)c(Cl)c1	8701867	SAUSYXSNHDMWLW-UHFFFAOYSA-N	301.217	3.898	50	40	DHGB	
O=C(Cl)[C@@H]1CC=C2c3ccccc3CC[C@@H]2[C@H]1C(=O)Cl	104076347	WWHIZRHALFOKFV-BFHYXJOUSA-N	309.192	3.799	50	40	DHGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1cnc2ccccc21	408691621	ISEFRZCLRWSPKT-ZROIWOOFSA-N	304.309	3.552	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	343113	CMVHXMOTVHTBCE-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1nccs1	3332524	JLQFHYXBTXTNPK-JXMROGBWSA-N	323.299	3.708	50	40	DHGB	
CC(C)/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1	13477408	RBWJKFBVGTZIHP-MDYJUBHLSA-N	306.409	3.967	50	40	DHGB	
Cc1nn(C)cc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	96118976	WLQDTRLDCJJIAQ-ZSOIEALJSA-N	306.394	3.916	50	40	DHGB	
ClCCCc1c(Br)cncc1Br	196641907	XZOLTINXVGWKPT-UHFFFAOYSA-N	313.420	3.778	50	40	DHGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1	64272	GLCNEXDXWVCPBI-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
CCn1cc(/C=N/NC(=O)Cc2ccc(C)cc2)c2ccccc21	512000	RRZCDHYLWWSFJA-FYJGNVAPSA-N	319.408	3.662	50	40	DHGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN=C1CCCCC1	5925839	GLTYRVMYTXEPMC-GFCCVEGCSA-N	308.809	3.852	50	40	DHGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OC	408566988	CCHWTMDMPCFWSL-WQLSENKSSA-N	323.327	3.783	50	40	DHGB	
Cc1cc(C(=O)N/N=C/c2ccccc2C)c2ccccc2n1	254321	DAWIAOFJPDOVOI-UDWIEESQSA-N	303.365	3.616	50	40	DHGB	
O=C(NCCc1ccc(Cl)cc1)[C@H](Cl)c1ccccc1	13945893	OZQMXNGKKSDYAU-OAHLLOKOSA-N	308.208	3.979	50	40	DHGB	
CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(-c2ccccc2)cc1	96517791	UYIWFUQDYWRDMH-INIZCTEOSA-N	322.813	3.536	50	40	DHGB	
FC(F)(n1ccnc1)P(c1ccccc1)c1ccccc1	104840390	FXHCDUWKIROIST-UHFFFAOYSA-N	302.264	3.523	50	40	DHGB	
Cc1cc(OCC(=O)N/N=C/c2cccs2)cc(C)c1Cl	504852	APIBJEKHENEOQO-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1	4502011	ZHMHBHNVGWLFIA-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
FC1(F)Oc2ccc(CBr)cc2OC1(F)F	98210835	WANHPMCZAXHPTH-UHFFFAOYSA-N	301.033	3.538	50	40	DHGB	
O=[N+]([O-])c1ccc(OCCCCBr)c(Cl)c1	1720394	GCFIQYGXXKTAFW-UHFFFAOYSA-N	308.559	3.802	50	40	DHGB	
Cc1ccc(SCC(=O)N/N=C/c2sccc2C)cc1	8515626	BNQVBJQJSJPVDT-CXUHLZMHSA-N	304.440	3.607	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\C=C\c2ccccc2)cc1	15012380	ZARZZORAEUNVCI-FJGPGAONSA-N	304.349	3.797	50	40	DHGB	
O=C(N/N=C/c1ccco1)c1cc2c(ccc3ccccc32)o1	565926	OHEAUKXCCKSEPR-YBFXNURJSA-N	304.305	3.943	50	40	DHGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	4544412	XQDJINDYSLAXCR-YFVDUCKESA-N	318.804	3.647	50	40	DHGB	
CCOC(=O)/C(C#N)=C/Nc1cccc(OCc2ccccc2)c1	14796412	JQGMXIITUYMRSW-DTQAZKPQSA-N	322.364	3.648	50	40	DHGB	
CCCCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1	95347434	FWVJBEPAKKLKFZ-XNTDXEJSSA-N	309.369	3.635	50	40	DHGB	
Cc1ccc2sc(NNC(=O)c3cccs3)nc2c1C	4121425	OQLDPUYGIQCQSL-UHFFFAOYSA-N	303.412	3.732	50	40	DHGB	
N#CC(C#N)=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1	5775055	SYWKAXBLPWVRCA-MRXNPFEDSA-N	306.756	3.703	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)CCc2ccccc2)cc1	6047909	CVZNSPQJQOLQLU-HMMYKYKNSA-N	310.397	3.558	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2ccccn2)c1OC(F)F	6209279	PHZBTHKJESHIJN-FMIVXFBMSA-N	302.280	3.756	50	40	DHGB	
CC[C@H](C)c1ccccc1OCC(=O)N/N=C/c1ccsc1	12137526	QKQLWYZXHXYHKO-SGPNVBEDSA-N	316.426	3.791	50	40	DHGB	
Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c(C)c1	35558476	FMGGQPBEHCNWCD-UHFFFAOYSA-N	310.378	3.594	50	40	DHGB	
CSc1ccc(-c2nnc(SCCCCl)n2C)cc1	228927118	RNNPNNWTMDFNLA-UHFFFAOYSA-N	313.879	3.925	50	40	DHGB	
N#CC(C#N)=Cc1ccc(NC(=O)/C=C/c2cccs2)cc1	3183750	HUIQXYOWMQQABM-BQYQJAHWSA-N	305.362	3.831	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]1c1ccccc1	5901727	UJUBDUJDGZGVGP-QDUMVPICSA-N	308.425	3.718	50	40	DHGB	
COC[C@H](Cl)COC(=O)C(c1ccccc1)c1ccccc1	1672642	GTZPLJFLQKDOHF-INIZCTEOSA-N	318.800	3.616	50	40	DHGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21	2239694	LDDNCWOCODYBNY-RVDMUPIBSA-N	313.360	3.664	50	40	DHGB	
C[C@@H](/C=N/NC(=O)COc1ccccc1Cl)c1ccccc1	4702448	CUZJBLTVTOUFRW-MDBUFAAASA-N	316.788	3.625	50	40	DHGB	
N#CC1=C(NC(=O)NCc2ccccc2)S[C@@H]2CCCC[C@@H]12	26803063	IFWFPOOWBOBBGL-DZGCQCFKSA-N	313.426	3.527	50	40	DHGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1	40967313	JUQYBGWOAGYFTR-UHFFFAOYSA-N	308.724	3.990	50	40	DHGB	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccsc1	44027872	GRFVKWDEAPCGKH-CAOOACKPSA-N	319.389	3.783	50	40	DHGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1	567285	VAFQYHWSHDIVLS-MBNTZHJCSA-N	318.829	3.971	50	40	DHGB	
O=C(/C=C/c1ccccc1Cl)Oc1ccc([N+](=O)[O-])cc1	5583249	NQYBAIXRCRAJPP-BJMVGYQFSA-N	303.701	3.867	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc2ccccc2c1	12362539	GJSHACDPYZLVMK-DEDYPNTBSA-N	304.349	3.699	50	40	DHGB	
CCc1ccc(/C(C)=N\NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1	13325276	NKMMQQKVPCQRMW-BAHKZBQYSA-N	306.409	3.893	50	40	DHGB	
C/C(=N\NC(=O)CC1(C)SCCS1)c1ccc(C)c(C)c1	409254286	IEKNIPPMDZEWEA-GHRIWEEISA-N	322.499	3.730	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12)c1ccccc1	5006480	RIDHATNLKLGIHE-LUYJPIOASA-N	315.376	3.952	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2)c(C)c1	20194419	OBGZCDXFZVITMF-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(F)cc2)cc1	59473476	PDWGWTFKSIUOBA-VXLYETTFSA-N	316.401	3.518	50	40	DHGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(F)cc1	100861735	PZDUQHZQWYHABI-BKUYFWCQSA-N	306.340	3.672	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc(C)c2)cc1	409118856	OQBKIRRXUIREHB-UZUMKDMXSA-N	312.438	3.934	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccsc3)cc2c1	409189716	NIXBEALVYLRKGE-MFOYZWKCSA-N	314.366	3.657	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	44013630	RRPADLAXNUAKOE-GXDHUFHOSA-N	310.328	3.770	50	40	DHGB	
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)CSC#N	216860575	KAACTUWWQYAFFB-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
Fc1cc(OCC(F)(F)F)cc(F)c1CBr	584593269	AMBMNZRARZNDTQ-UHFFFAOYSA-N	305.040	3.801	50	40	DHGB	
COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1Cl	566043	KYOUQICTOINJPG-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(N(C)C)cc1	1720892	CBROYSPZMNALMV-RVDMUPIBSA-N	308.318	3.883	50	40	DHGB	
Cc1ccc(NC(=O)C(C)(C)CCl)cc1N1CCCCC1=O	5441832	XSESHJYHZNGINP-UHFFFAOYSA-N	322.836	3.715	50	40	DHGB	
O=C(CCl)N(Cc1ccccc1)c1nc2c(s1)CCCC2	8390483	NBRWJLNIGJVUAB-UHFFFAOYSA-N	320.845	3.794	50	40	DHGB	
CC[C@@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1	32919720	UDGPSPXXHPNTOJ-SECBINFHSA-N	310.113	3.817	50	40	DHGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117585	VPLVYIZAADMQBL-YRNVUSSQSA-N	318.163	3.934	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	65999222	WCONLMDNHXYNDK-LGMDPLHJSA-N	316.360	3.553	50	40	DHGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1	971432	XOPTUDCBUYSDOR-OAHLLOKOSA-N	322.412	3.875	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1-n1cccc1	5157844	OGNURBQRZRMKLH-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)s1)[C@H]1C[C@H]1c1ccccc1	6340314	WOVUUKFCTBBDTC-OAMQDSFOSA-N	304.802	3.655	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/[C@@H](C)c2ccccc2)cc1C	8182784	BFBXPOKWYIPYGI-DDLUMYACSA-N	310.397	3.588	50	40	DHGB	
C/C(=N/NC(=O)c1ccncc1)c1cc(Cl)ccc1Cl	17031659	QATJZDBMVCWBKN-NVMNQCDNSA-N	308.168	3.542	50	40	DHGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)nc1	45481033	GPFWFZQDNLHWFG-UHFFFAOYSA-N	315.682	3.511	50	40	DHGB	
Cc1ccc(Cl)cc1N/C=C1/C(=O)OC(=O)c2ccccc21	102931425	BULRILAZEQUJFG-NTEUORMPSA-N	313.740	3.798	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1	103141310	ADIUDHZUGATULT-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
ClCCN(CCCl)c1cccc(CN2CCCCC2)c1	1763114	UAENFSMZZLFHCK-UHFFFAOYSA-N	315.288	3.957	50	40	DHGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1	4503528	FCZSOCZNOTTWKK-KAMYIIQDSA-N	314.772	3.834	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	5712933	YXMLMCKCUFFCLG-SDNWHVSQSA-N	310.328	3.770	50	40	DHGB	
Cc1ccc2c(c1)N[P@](=O)(N(CCCl)CCCl)N2	104392807	BUMZOEKUDCJSNI-SFHVURJKSA-N	308.149	3.720	50	40	DHGB	
CC(C)(C)OC(=O)N1CCc2cccc(CBr)c21	143998229	XGTJTAZQPRVCRP-UHFFFAOYSA-N	312.207	3.879	50	40	DHGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)c(C)c1	5684072	DESHTTUPPSNHJE-KGENOOAVSA-N	305.381	3.939	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1OC	8079367	PZQYATYFRPRREU-NTUHNPAUSA-N	300.383	3.923	50	40	DHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1O	211472849	QCMTUTXTNIFQDU-DHDCSXOGSA-N	322.364	3.563	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(C)c(C)c2)cc1	2741816	HVUYMSGHTQGTAR-DEDYPNTBSA-N	310.397	3.856	50	40	DHGB	
N#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	7675629	BOLSUCYNVUDDTJ-SDNWHVSQSA-N	300.321	3.529	50	40	DHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139602	RLXAINFBPFDNKG-HLDXWRDOSA-N	304.340	3.567	50	40	DHGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	342595	HVYJDKHLWLZZMR-LTGZKZEYSA-N	323.440	3.616	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1	2345832	MEDIXNCORJYRNP-FYJGNVAPSA-N	321.380	3.721	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	6427489	CLJVBSHUZKSQTB-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
Cc1ccc2[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2c1	18191517	MZTQZCBSEXTUGH-SRZZPIQSSA-N	316.364	3.722	50	40	DHGB	
CCOc1c(OC)cc(/C=C(\C#N)c2ccccn2)cc1OC	96189819	RZPCTAUWTOTJEX-NTEUORMPSA-N	310.353	3.562	50	40	DHGB	
O=C(CCl)Nc1ccc2nc(-c3ccccc3F)oc2c1	216856602	PARQBXMRPXNTCP-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1	408569042	YIKLEUIJVSMPDP-WDZFZDKYSA-N	308.272	3.674	50	40	DHGB	
O=C(CCl)NCCSCc1ccc(Cl)c(Cl)c1	408924495	JHTLIHMCTZQPCM-UHFFFAOYSA-N	312.649	3.582	50	40	DHGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1ccccc1F	251179	QFQALKKSTNFABO-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
Clc1ccc(C2=NO[C@H](CBr)C2)c(Cl)c1	217842450	MOXCCADKIPFKFP-ZETCQYMHSA-N	308.990	3.881	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCOCC2)c(F)c1)c1ccccc1	409126868	HZZRIUXBQVLMOM-SFQUDFHCSA-N	308.356	3.726	50	40	DHGB	
CCN(CC(F)(F)C(F)F)c1ccc(C=C(C#N)C#N)cc1	3065440	NNDHZWJKDUAWRD-UHFFFAOYSA-N	311.282	3.844	50	40	DHGB	
CCC/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)s1	4507141	AYGKLYNSBJFLIH-GZTJUZNOSA-N	307.806	3.731	50	40	DHGB	
N#CSc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1	5034354	BDOXYWOYSKLHKM-UHFFFAOYSA-N	308.362	3.674	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1	5163665	XKKDTLFEJUPSLG-GIJQJNRQSA-N	323.179	3.853	50	40	DHGB	
N#CC(C#N)=CNC[C@H](c1cccs1)c1c[nH]c2ccccc12	13143109	JXRGVTBBOOMKBS-INIZCTEOSA-N	318.405	3.882	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	15219462	FIQFRGGUBNMQAU-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
O[C@]1(c2ccccc2)c2ccccc2CC[C@H]1Br	1685761	NLBFMLNSNADFLQ-HZPDHXFCSA-N	303.199	3.632	50	40	DHGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1CCCO1	4680515	YXURGGCZRJPNDU-IOVUBPJKSA-N	318.376	3.622	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1C	209646429	LMTHMWGXWQGORQ-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
O=C(O)CCCCc1ccc(N(CCCl)CCCl)cc1	1621196	YQMOTGVJXOHLKM-UHFFFAOYSA-N	318.244	3.768	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@H]2CC[C@H]1C2	107912066	KJMOKWHQHZDVGZ-DLRAXEKUSA-N	306.793	3.588	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	242687256	UBWZFURPGMGOMT-QAQDUYKDSA-N	322.880	3.563	50	40	DHGB	
CCOC(=O)c1ccc(C(=O)CCCCCBr)o1	575361804	JKYJVOBCLNCPFK-UHFFFAOYSA-N	317.179	3.594	50	40	DHGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	7210381	HCWBBISARFRVTJ-MDWZMJQESA-N	312.756	3.900	50	40	DHGB	
C/C(=N\NC(=O)Cc1c(C)[nH]c2ccccc12)c1cccs1	18191481	SHWFHDFGPNEJAJ-XDHOZWIPSA-N	311.410	3.621	50	40	DHGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cccc(Cl)c2)cc1	409056871	OWUXDBWKZKVCIU-PFPWIQQFSA-N	314.772	3.512	50	40	DHGB	
CCCCSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1	9088741	AAFJMTJWSYZCLD-CQSZACIVSA-N	300.427	3.867	50	40	DHGB	
C[C@H](Br)C(=O)c1ccc(F)c(Br)c1	71790234	CXDBKBJBCQCMEM-YFKPBYRVSA-N	309.960	3.554	50	40	DHGB	
COc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OC	408691783	PZDQOOCANFGTRM-DHDCSXOGSA-N	319.364	3.661	50	40	DHGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2Cl)cc1	112813	BYDIYQNNGTZGJA-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
N#CC(C#N)=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21	565382	CTXGJGGMWVGGOT-UHFFFAOYSA-N	319.751	3.688	50	40	DHGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1F	40007484	ZAUFOSMGDHASKT-UHFFFAOYSA-N	308.312	3.844	50	40	DHGB	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1	213169831	CBUSYNDRNYMMRD-VBKFSLOCSA-N	306.365	3.803	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1cc2ccccc2[nH]1	228980293	BLOHSTBNTKGBLL-UHFFFAOYSA-N	306.822	3.684	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C	409067379	XVVNHLFSMFMFGS-GZTJUZNOSA-N	308.381	3.873	50	40	DHGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	277600	MMXXTPVDMDSTBS-RMKNXTFCSA-N	321.163	3.906	50	40	DHGB	
Cc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2Cl)cc1	339625	GIMUPIFMIXPQMS-HOTGVXAUSA-N	306.814	3.674	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1	382255	JIRWZYSOPACPTB-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2)cc1	5719400	KTKQXMHPUMMRQE-LFIBNONCSA-N	306.365	3.803	50	40	DHGB	
C/C(=N\C(C#N)=C(/N)C#N)c1ccc(Oc2ccccc2)cc1	35622970	BICZMWDPGWIUQC-CAXSRKCJSA-N	302.337	3.505	50	40	DHGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3CC=C[C@@H]23)c(C)n1-c1ccccc1	89580007	MOBPVRRYHFDDPE-AXHJYSETSA-N	319.408	3.776	50	40	DHGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCCCCC1	3181818	DYDPFBITJCZACR-SDNWHVSQSA-N	320.339	3.598	50	40	DHGB	
O=C(CCl)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2	3888129	DBBVGEGHVRNBQI-UHFFFAOYSA-N	307.821	3.816	50	40	DHGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccc(Cl)cc1	3907201	MCEREHDEVFUTFS-OAHLLOKOSA-N	321.771	3.507	50	40	DHGB	
N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc2cccnc12	13564557	FQOAOEAJRMOTKS-PTNGSMBKSA-N	317.323	3.920	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1	5288849	LENQNKOOBSBIHK-UIPUUYQRSA-N	312.800	3.984	50	40	DHGB	
CCCCC(=O)N/N=C(\C)c1ccc(Br)s1	5457590	XWAOOSOCGDTNIR-MDWZMJQESA-N	303.225	3.541	50	40	DHGB	
CCCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	5469386	GFBRELQIYAPCSA-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
O=C(N/N=C\c1ccco1)c1sc2ccccc2c1Cl	6829848	HHZUKZZSKIPRFD-PXNMLYILSA-N	304.758	3.912	50	40	DHGB	
BrCCOc1ccc2nc3ccccc3nc2c1	85390665	LGBVNGXZCWPCDH-UHFFFAOYSA-N	303.159	3.557	50	40	DHGB	
O=C(CCl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	529154	UEBPPDDUWDPSDW-CYBMUJFWSA-N	323.179	3.850	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)o1	4315471	IASDQITWDWJNGD-DHZHZOJOSA-N	309.350	3.743	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2)o1	5772859	AWDGKLHAXICRHJ-XSFVSMFZSA-N	304.349	3.639	50	40	DHGB	
C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2NC(=O)CCl)C1	34776911	YHSMVJDYVXZGAD-GHMZBOCLSA-N	315.244	4.000	50	40	DHGB	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	48333243	QYDRKICPTMXRRE-DHDCSXOGSA-N	321.332	3.604	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1	408938771	ROHUZKRTADUWPH-ATVHPVEESA-N	316.360	3.553	50	40	DHGB	
CC/C(C)=N\O[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC	169808788	OGZPYBBKQGPQNU-STFOEXHGSA-N	301.463	3.963	50	40	DHGB	in-vitro
Cc1ccc(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1	195751020	WIXCBSGZWVOBRO-GRSHGNNSSA-N	321.207	3.995	50	40	DHGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)c(Cl)c2)o1	568108	MGKGHUNUMYKBIM-KPKJPENVSA-N	300.745	3.561	50	40	DHGB	
O=C(Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	19721756	AALAIKKQHXSMCT-UHFFFAOYSA-N	314.816	3.752	50	40	DHGB	
C[C@@H]1CCc2sc(C(=O)N/N=C3/C[C@H]4C=CC[C@H]34)cc2C1	36511797	XTXHHUMHWKPEHH-VACFCVDESA-N	300.427	3.555	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1cc2ccccc2cc1O	102408984	FHDFNOYOFXNWQI-DJCLWFOJSA-N	308.381	3.697	50	40	DHGB	
Cc1ccc(SCC(=O)N/N=C/c2ccccc2Cl)cc1	8515349	RYRRZOJGAHGQMU-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
O=C1OC(=O)[C@]23C(=CC=C4CC=CC=C42)SC2=CC=CCC2=C13	100046179	SYZIKJCLSNXJOW-IBGZPJMESA-N	320.369	3.654	50	40	DHGB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@]2(Br)CBr	100366292	WQNULSXJEQQGSF-XROYCOCOSA-N	324.056	3.540	50	40	DHGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccncc1	63828	XMNONLRJTNSKCM-XDHOZWIPSA-N	323.377	3.590	50	40	DHGB	
Cc1cc(C)c(C(=O)C(Br)Br)c(C)c1	163877	JBCPUOWQEWCGKH-UHFFFAOYSA-N	320.024	3.910	50	40	DHGB	
CCCC1CCC(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	370383	UPIFHBCUMWOKEG-UHFFFAOYSA-N	317.389	3.600	50	40	DHGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	43776200	PZGOKHDRUZXDGY-XDHOZWIPSA-N	314.772	3.669	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	44028769	QYDRKICPTMXRRE-OQLLNIDSSA-N	321.332	3.604	50	40	DHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	211474340	XSYJIOGADGFWHR-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
Cc1ccccc1-c1nc2ccc(NC(=O)CSC#N)cc2o1	216856998	LIWIBXOMIKZKAQ-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	408787880	HGMYYKRTJHRRNK-PKNBQFBNSA-N	315.760	3.545	50	40	DHGB	
N#C/C(=C\c1ccccc1Cl)C(=O)NCCc1ccccc1	3615837	QPPFVWVIUWBOPY-FOWTUZBSSA-N	310.784	3.606	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	4115100	SIPOTHFKLAFEAC-LCYFTJDESA-N	305.337	3.644	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1Br	4815510	FVSNAXZFELGFSY-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
C/C(=N\NC(=O)c1cccs1)c1ccc(Br)cc1	5030102	BXAAJAFTEHABIV-OQLLNIDSSA-N	323.215	3.665	50	40	DHGB	
CCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@@H](C)CC1(C)C	223222358	SBLZMHQYUWUVOU-HOCLYGCPSA-N	317.477	3.554	50	40	DHGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1O	408848155	QIUOXVGEDGFFQU-NDENLUEZSA-N	320.348	3.631	50	40	DHGB	
CCc1ccc([C@H](NC(=O)CCl)c2cccc(F)c2)cc1	4206620	FPWPSXLKJAAIPO-KRWDZBQOSA-N	305.780	3.833	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	100499817	LEAFVEBNNDDESR-UGQVUOCMSA-N	302.805	3.542	50	40	DHGB	
Cc1ccccc1SCC(=O)N/N=C/c1ccc(Cl)cc1	59669	BAIWDIPHPJOKHY-VCHYOVAHSA-N	318.829	3.891	50	40	DHGB	
N#C/C(=C\c1ccoc1)C(=O)Nc1cccc(C(F)(F)F)c1	373920	RHTNWVRQYSSLRG-IZZDOVSWSA-N	306.243	3.844	50	40	DHGB	
CCc1cc(SC#N)cc(C)c1I	45889829	GBZZMBZHWGEWPA-UHFFFAOYSA-N	303.168	3.735	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	1752501	LJFZWZHIYVDTEW-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1cc(C)ccc1C	7009394	IGYWIYARCCCXAR-LTGZKZEYSA-N	309.413	3.564	50	40	DHGB	
CCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	101730732	XCCXWFSXYRHGEX-LFYBBSHMSA-N	313.309	3.612	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21	216007976	LEAFVEBNNDDESR-DARAHFNDSA-N	302.805	3.542	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)s1	6124833	OCBIEMRNZSMHHY-KHIIKVJLSA-N	312.438	3.954	50	40	DHGB	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	40114080	HGRPWMHRTPADKR-MDWZMJQESA-N	304.353	3.606	50	40	DHGB	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)c1c[nH]c2ccccc12	40161154	LBJWRGVYEOYTQX-ZROIWOOFSA-N	316.316	3.656	50	40	DHGB	
N#C/C(=C\c1ccc2c(c1)CCCO2)c1nc2ccccc2[nH]1	98063983	GCIMIZTUQRYUKD-RVDMUPIBSA-N	301.349	3.952	50	40	DHGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C)c1C	408778348	DZEDAIVGGACWHL-BOPFTXTBSA-N	307.397	3.750	50	40	DHGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	408802391	ZQZSCOGEMFMKGR-WDGDVPDHSA-N	308.381	3.670	50	40	DHGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1	409362911	KKPUJEDXJOSOFV-QNGOZBTKSA-N	323.440	3.534	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1	5288864	LENQNKOOBSBIHK-YFGIWCPESA-N	312.800	3.984	50	40	DHGB	
COC(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	17372176	JPXXXZNJEGBODV-VCHYOVAHSA-N	318.760	3.609	50	40	DHGB	
Cc1ccc2cc(C=C(C#N)C#N)c(N3CCCCC3)nc2c1	19973471	HIWOMFNWVDRMCN-UHFFFAOYSA-N	302.381	3.964	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1	408799818	LPIOSSJOAROBLM-BRFSQIRFSA-N	320.392	3.788	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)s1)[C@H]1C[C@@H]1c1ccccc1	6340674	WOVUUKFCTBBDTC-OHXOBVGHSA-N	304.802	3.655	50	40	DHGB	
CN(C)C(=O)/C(C#N)=C\c1cc(/N=N/c2ccccc2)ccc1O	59333567	YOXDROCVAMLXLN-QPFDYXSUSA-N	320.352	3.803	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@H]2CC[C@H]1C2	106271679	JTXMUFJZYYCMDM-ZOTOZUNUSA-N	306.793	3.588	50	40	DHGB	
COC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	507063	ISQLYNKXSRCNDX-FRKPEAEDSA-N	313.140	3.943	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@@H]1C[C@@H]1c1ccccc1	5902072	UJUBDUJDGZGVGP-PCNCRTFHSA-N	308.425	3.718	50	40	DHGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1	13325280	LENQNKOOBSBIHK-POHDFXHOSA-N	312.800	3.984	50	40	DHGB	
O=C(Cc1cccs1)N/N=C\C(Cl)=C\c1ccccc1	30702639	WQMOWVGZKGIPPZ-JTSKSXQCSA-N	304.802	3.673	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc3ccccc3n2C)c1	3899801	YRAAKLCAFBIHOA-GXDHUFHOSA-N	319.364	3.655	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(Br)c1	5620170	QFSNSUZDSYVNQE-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C	6539509	DQABRAFWARXMCK-GBPLSBDBSA-N	312.413	3.687	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/[C@H](C)c2ccccc2)cc1C	8182785	BFBXPOKWYIPYGI-DORSJAEJSA-N	310.397	3.588	50	40	DHGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(Cl)cc1Cl	19849646	CWQMJGHZLOEPSI-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C\c1cc(F)ccc1F)c1ccccc1	98008572	FWUYDEUSSKDZBP-ZENNRRHLSA-N	312.319	3.749	50	40	DHGB	
CCCOc1ccc([C@H](C)NC(=O)CCl)cc1OCCC	3407819	IMXMBMCNUQNDSG-LBPRGKRZSA-N	313.825	3.680	50	40	DHGB	
CCC(C)(C)C1CCC(=NNC(=O)c2cc(O)ccc2O)CC1	17054672	INILHDBHRSXUDE-UHFFFAOYSA-N	318.417	3.810	50	40	DHGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NC)c1C	59104496	MYMGQFGZNWLGCG-WQRHYEAKSA-N	321.424	3.618	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc(C)c1	106381992	GXCGRTJJXYIJPM-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
Cc1cc(NNC(=O)OCc2ccccc2)c2ccccc2n1	338805	JIADIWXCOQPBEN-UHFFFAOYSA-N	307.353	3.797	50	40	DHGB	
Cc1nc2c(Cl)cccc2c2c1C[C@@H](CBr)O2	552314	QRHRGVPXPOUGHZ-QMMMGPOBSA-N	312.594	3.895	50	40	DHGB	
CCc1cccc2c(C(=O)/C(C#N)=C\c3cccnc3)c[nH]c12	97086680	AASGIUNHFGYQOO-DHDCSXOGSA-N	301.349	3.915	50	40	DHGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(N)=S	2884874	LGPCAYTVOHUIQT-NTEUORMPSA-N	312.369	3.598	50	40	DHGB	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1ccc(F)cc1	36635917	NWXJPJJFIOKEPA-XNTDXEJSSA-N	320.323	3.690	50	40	DHGB	
C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(F)cc1	58916031	PUUXSGGBADINRY-CPNJWEJPSA-N	316.401	3.848	50	40	DHGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(Cl)cc1	59166620	TUPKCAGRNWTEJF-LICLKQGHSA-N	304.802	3.582	50	40	DHGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1c[nH]c2ccccc12	103387381	ZXOWYLPAXAQNNL-OABHHXFQSA-N	307.397	3.876	50	40	DHGB	
Cc1cccc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)c1	216857035	SNUZAANLVAOBCR-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-]	408719009	FIOXBDHDQFZUCN-UKTHLTGXSA-N	304.309	3.844	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	409052443	HMQBFSUQXJLGDC-SRZZPIQSSA-N	320.314	3.707	50	40	DHGB	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	568822	HANJMTYCXZQLLL-UHFFFAOYSA-N	324.767	3.568	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C\C=C\c1ccccc1	4724100	MBXYBVNDGLORHH-ASXAAWBKSA-N	314.772	3.534	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C)c(C)c1	5684057	VEBHSGXYFKPBGH-CDDVYSJNSA-N	306.409	3.947	50	40	DHGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1cc(C)oc1C)CCC2	38201553	OFFHVDHMWXRUGD-ZZEZOPTASA-N	310.397	3.984	50	40	DHGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409129517	GISOVLQLODHCIH-SFHVURJKSA-N	321.424	3.540	50	40	DHGB	
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(F)cc1	262942	XGJLDNSUCMFOPU-LPYMAVHISA-N	321.355	3.836	50	40	DHGB	
CC(C)c1nc(NC(=O)CCCC[C@H]2CCSS2)n[nH]1	79479676	DILKYPGPSXRMRA-JTQLQIEISA-N	314.480	3.581	50	40	DHGB	
O=[S@](c1ccc(Cl)cc1)[S@](=O)c1ccc(Cl)cc1	4769613	LCXVCECTWHFMQM-QZTJIDSGSA-N	319.234	3.824	50	40	DHGB	
COc1ccc(N(CC2CC2)C(=O)CCl)cc1C(F)(F)F	199758021	CQADSQYLKAARQO-UHFFFAOYSA-N	321.726	3.696	50	40	DHGB	
C[C@@H](Cl)C(=O)N(CCc1ccccc1)Cc1ccccc1	3887352	LSRHPQSEFFYWNF-OAHLLOKOSA-N	301.817	3.885	50	40	DHGB	
Br[C@H]1[C@H]2C[C@@H](c3ccccc32)[C@H]1Br	104132593	UGOBXGMGPCCRHH-XWLWVQCSSA-N	302.009	3.798	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	3616510	VYTUARLZPXQNPT-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(Cl)cc1	8160027	GYXUKTXNCBNAFY-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408891003	JSOXQADTLKUBNL-OQLLNIDSSA-N	321.336	3.757	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1	252680	HBNPAPSNZREVSR-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
O=C(CCCCl)NC1(Cc2ccc(O)cc2)CCCCC1	4653536	NZLXSUOZFKEAIE-UHFFFAOYSA-N	309.837	3.773	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	5736692	CWKGFSPDKZEPTO-WJDWOHSUSA-N	324.380	3.573	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	33405819	DRHHPGFILNKJHX-LCYFTJDESA-N	312.756	3.894	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)Cc2cc(C)ccc2C)cc1	409362187	ICFZIYGXUYCYOY-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1	5316751	SZFXLQXNFALWDT-JKMYOGEHSA-N	322.408	3.729	50	40	DHGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(CC)s2)cc1	5477359	YCHZARVCMYNKCI-LDADJPATSA-N	316.426	3.863	50	40	DHGB	
CC1=C(C#N)C(c2cccc(Br)c2)C(C#N)=C(C)N1	19419650	OTEUHYWBSJVXBF-UHFFFAOYSA-N	314.186	3.731	50	40	DHGB	
CCCCC(/C=N\NC(=O)c1ccc[n+](C)c1)=C\c1ccccc1	31949329	SXSNMMYXMMASRO-PYBTYBIFSA-O	322.432	3.501	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@@H](c3cccs3)C2)o1	4204669	ISRQYFYSTSQAMW-LLVKDONJSA-N	308.790	3.566	50	40	DHGB	
N#CC1=C(NC(=O)NCc2ccccc2)S[C@H]2CCCC[C@@H]12	26803050	IFWFPOOWBOBBGL-ZFWWWQNUSA-N	313.426	3.527	50	40	DHGB	
Cc1cc(C)c(NC(=O)[C@H](C)Cl)c(C)c1Br	96029387	AZGRPSTVOBOADQ-VIFPVBQESA-N	304.615	3.940	50	40	DHGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])Cn1cnc2ccccc21	408691774	PSGBAZRFNJNBJD-LCYFTJDESA-N	304.309	3.552	50	40	DHGB	
COC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	450697	SMUNOQDXNSOEFD-UDWIEESQSA-N	321.380	3.688	50	40	DHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C)o1	2749429	LRUKNCHMVQOCJT-YRNVUSSQSA-N	316.744	3.796	50	40	DHGB	
CC(/C=N/NC(=O)CNc1ccc(C)cc1)=C\c1ccccc1	3102519	FZZWUYUEUFSGJO-NKDOZWPPSA-N	307.397	3.612	50	40	DHGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	33418340	PHWIJNDCOVRBIG-PTNGSMBKSA-N	308.381	3.800	50	40	DHGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccccc1C(F)(F)F	408783295	NVUCSYRMQCWZAG-UKWGHVSLSA-N	310.250	3.608	50	40	DHGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccs2)o1	409144627	MHIDDYVVOUHSCJ-YBFXNURJSA-N	321.361	3.644	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)N(CCC#N)c2ccccc2)cc1	2291505	HDGOSCPQLNWWJG-NBVRZTHBSA-N	315.376	3.849	50	40	DHGB	
CCOC(=O)NN(C/C(Cl)=C/Cl)C/C(Cl)=C\Cl	18208745	DCQFTNCCVVUHFW-KYPMKJFLSA-N	322.019	3.588	50	40	DHGB	
FC1(F)Oc2cccc(CBr)c2OC1(F)F	98210836	ZTEPMZUHKUJLEA-UHFFFAOYSA-N	301.033	3.538	50	40	DHGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408788225	JIOHAPKISLFDCD-YRNVUSSQSA-N	313.338	3.510	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(O)c1	408891333	OTRSQOMOOAQXOW-OQLLNIDSSA-N	322.364	3.563	50	40	DHGB	
C[P@@](=S)(c1ccccc1)[P@](C)(=S)c1ccccc1	161701	LHNGNWXNQAEZLR-HZPDHXFCSA-N	310.364	3.771	50	40	DHGB	
C/C(CC(C)(C)N1CC1)=N/NC(=O)Nc1cccc2ccccc12	4775882	DSMKQBURCDVYOU-STZFKDTASA-N	324.428	3.822	50	40	DHGB	
CCOCc1ccc(/C=C(/C#N)P(=O)(OCC)OCC)o1	5838346	PHCYZJUJJWWEPO-ZROIWOOFSA-N	313.290	3.947	50	40	DHGB	
CC(C)[C@H](Br)C(=O)Nc1nc2ccccc2s1	19472578	NFILFJITBVFCGW-JTQLQIEISA-N	313.220	3.654	50	40	DHGB	
O=C(CCl)N(CC1CCC1)c1cccc2ccc(O)cc12	199756725	LRHYCPJMMMKWTG-UHFFFAOYSA-N	303.789	3.917	50	40	DHGB	
CN(C)C(/C=C/Nc1cc(Cl)cc(Cl)c1)=C(C#N)C#N	100924347	YPWVYUCBFXPYRX-ONEGZZNKSA-N	307.184	3.782	50	40	DHGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C\C=C\c2ccccc2)c1	23397248	OODHICIXKCKGIQ-DVEJHZKRSA-N	308.381	3.578	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCCl)[C@@H](c3ccco3)C2)cc1	13014033	OXXNZNXXOIJIJH-OAHLLOKOSA-N	316.788	3.895	50	40	DHGB	
C/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1Cl	17055110	CACXISFUXIIOCV-VQGSWFTOSA-N	319.619	3.764	50	40	DHGB	
CSc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1	33346826	ZXVIXFANDHPSBL-WJDWOHSUSA-N	315.419	3.747	50	40	DHGB	
O=C(N/N=C\c1c[nH]c2ccccc12)c1cc2ccccc2o1	35999534	SYWJVRFLUWEOAJ-JAIQZWGSSA-N	303.321	3.678	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)s1	486740	UQANRNMEXYNLGZ-XDHOZWIPSA-N	308.406	3.903	50	40	DHGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	196760	YPUXHMRFHYJRLN-GOSISDBHSA-N	305.381	3.610	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccccc2)cc1	59247830	WBGMOEDRYANJNZ-XSFVSMFZSA-N	303.365	3.550	50	40	DHGB	
Cc1nc(CC(=O)NN(c2ccccc2)c2ccccc2)cs1	68741514	XBDVJIYLZWOWBJ-UHFFFAOYSA-N	323.421	3.864	50	40	DHGB	
CCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2C(C)=CC1(C)C	223220698	MVMBQHPSCPHEKM-OAHLLOKOSA-N	321.852	3.501	50	40	DHGB	
C/C(=N/NC(=O)c1ccccn1)c1ccc(Cl)cc1Cl	5030519	CWQMJGHZLOEPSI-NVMNQCDNSA-N	308.168	3.542	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)s1	5969482	RJWMXOPXIKDHDG-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
CSc1ccc(/C=C(\C#N)C(=O)N2CCc3ccccc32)cc1	41074221	BQSSANISXUFFTA-FOWTUZBSSA-N	320.417	3.905	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1	108980757	INZXQKLRARBUPD-YBEGLDIGSA-N	306.365	3.863	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c1	408798131	URIQUWJYIJHCQQ-GXDHUFHOSA-N	309.369	3.508	50	40	DHGB	
COc1ccc(C)cc1N/C=C(\C#N)c1nc2ccccc2n1C	131607	DGGLCSCLFXJWOG-WYMLVPIESA-N	318.380	3.867	50	40	DHGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccco1	227780	RLTJWANOEFNNBN-CPNJWEJPSA-N	306.321	3.836	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1cccc(F)c1	531895	LGGZDGVQIFXHFQ-INIZCTEOSA-N	317.323	3.592	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)s1	2759096	JWWAIKWDDBWJSW-YBFXNURJSA-N	323.421	3.931	50	40	DHGB	
CCCCSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1	9087608	AAFJMTJWSYZCLD-AWEZNQCLSA-N	300.427	3.867	50	40	DHGB	
CNc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	21540845	VQNMPIMKASEDAF-XYOKQWHBSA-N	319.324	3.577	50	40	DHGB	
CCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1	408590186	NZSCBAXKZNGOQY-WQRHYEAKSA-N	302.761	3.503	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O	408740544	BZYOIJUQKMODBW-VBKFSLOCSA-N	304.349	3.666	50	40	DHGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc3ccccc3o2)cc1	6692604	REESDHPZYVKSHD-ACCUITESSA-N	318.336	3.763	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC1CCCC1	6948814	AOCCFPWNFJJTQL-UKTHLTGXSA-N	318.804	3.704	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1C	16185105	VFBIVZJOHHDRBD-ZSOIEALJSA-N	313.788	3.841	50	40	DHGB	
C/C(=N/NC(=O)c1cc(C)oc1C)c1ccccc1OC(F)F	34834154	HZCDQZGKZHAVED-GRSHGNNSSA-N	322.311	3.652	50	40	DHGB	
CCC[C@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	260625041	YIQGDUQGVQJDRG-IAQYHMDHSA-N	323.868	3.591	50	40	DHGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1	408934585	FDTWAKLWESHJNK-PTNGSMBKSA-N	320.348	3.503	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1	409132782	RIVCEBTXLWCOCL-CPNJWEJPSA-N	312.438	3.936	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])[nH]c2c1	17055162	NECGHXPQRSJYNM-WQLSENKSSA-N	320.308	3.544	50	40	DHGB	
O=C(CCl)Nc1cc(Cl)ccc1N1CCCCCC1	34776791	NUACKZKCRLCSLQ-UHFFFAOYSA-N	301.217	3.898	50	40	DHGB	
COc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1	408568427	UBQGITVYIHIJNP-KGENOOAVSA-N	324.424	3.686	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(N(C)C)cc3)[nH]c2c1	409389967	BGQAXJTXFRJJHI-UVTDQMKNSA-N	318.380	3.702	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1	42645477	SUAHFEUIQGIKKI-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
O=C(CCl)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1	72334206	NFPUINURRYNZKZ-UHFFFAOYSA-N	323.179	3.770	50	40	DHGB	
O=C(CCCl)N1N=C(c2ccco2)C[C@@H]1c1ccccc1	89827840	BVTTYBXPSKJAJI-CQSZACIVSA-N	302.761	3.586	50	40	DHGB	
N#CC1=C(N)Oc2c(cc3ccccc3c2O)[C@@H]1c1ccccc1	63151	LKSYSGBYOHYHFT-KRWDZBQOSA-N	314.344	3.764	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc[nH]1	4866852	WYBQMUSWUZQMQN-RCCKNPSSSA-N	320.396	3.576	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(C)cc2)C1	182585	VEDADSDCXQAJLF-RJCBAWPRSA-N	312.413	3.778	50	40	DHGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccc(Cl)cc1	3573677	QPDAEDFDKPMYEE-DJKKODMXSA-N	324.714	3.705	50	40	DHGB	
CSc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1	4525845	CQLZHJOASWNCOU-XDHOZWIPSA-N	321.405	3.721	50	40	DHGB	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	5790233	NQLGNUDZYAUBPL-FFSVYQOJSA-N	320.421	3.588	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-]	7157785	HUWTWGDTPMQZKP-XNTDXEJSSA-N	321.336	3.757	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)c(C)c1	20195029	FXEVCBBIUQWQFR-FYJGNVAPSA-N	324.424	3.783	50	40	DHGB	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c(C)c1	44028765	PXGYNIPFFLGZTL-LZYBPNLTSA-N	305.333	3.822	50	40	DHGB	
CCC(/C=N/NC(=O)COc1cccc(C(F)(F)F)c1)CC	57617088	AJQNLWJHYFQDCI-DJKKODMXSA-N	316.323	3.622	50	40	DHGB	
FCCO[C@H]1CC(F)(F)[C@](F)(C(F)(F)F)C[C@@H]1Cl	227002647	SADROALXJFTQPE-ACZMJKKPSA-N	302.617	3.648	50	40	DHGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C(C)(C)C)cc1	14134710	SYWBIXGWYKLANE-SXZORUHJSA-N	324.424	3.558	50	40	DHGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1ccc(F)cc1	4121352	OIADEVNYIKVKTR-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
Cc1ccccc1OCCOc1ccccc1C=C(C#N)C#N	4675282	DXWYGOWJJGJROT-UHFFFAOYSA-N	304.349	3.883	50	40	DHGB	
CC/C(=N/NC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	57407426	BGUCGAOUTSWJFW-JWGURIENSA-N	321.355	3.918	50	40	DHGB	
O=C(NC1CCC(Br)CC1)OCc1ccccc1	79436601	BEHPZJJANUOWBT-UHFFFAOYSA-N	312.207	3.619	50	40	DHGB	
N#C/C(=C/c1ccsc1)S(=O)(=O)c1ccc(Cl)cc1	96792419	LGFAUERSFWFSSD-QPEQYQDCSA-N	309.799	3.740	50	40	DHGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1	409005942	GPCMVHDWCMHPSX-FYJGNVAPSA-N	315.332	3.582	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)c([N+](=O)[O-])c2)c1	445985	DVZNUXMXTYTUFX-OQLLNIDSSA-N	321.336	3.757	50	40	DHGB	
Clc1ccc(OCCBr)c(Br)c1	4206496	TUXTYTXCLGHOEB-UHFFFAOYSA-N	314.404	3.876	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C	5736690	ZFIPWRHQRCYTTI-BOPFTXTBSA-N	308.381	3.873	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2cccs2)cc1	21334019	GZGXYKYQSADTNZ-LFIBNONCSA-N	304.440	3.689	50	40	DHGB	
O=C(CBr)c1ccc(OCc2ccccc2)c(F)c1	32501226	PKGAQFXQMUBVHX-UHFFFAOYSA-N	323.161	3.982	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)c(C)n1C1CCCCC1	102228162	MNHAUQMAIAGLGA-CXUHLZMHSA-N	319.412	3.777	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)CSc1ccc(Cl)cc1	7993709	FCXGHJFHLSLPCF-LZYBPNLTSA-N	324.858	3.952	50	40	DHGB	
CC(C)/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1	13477406	RBWJKFBVGTZIHP-AVQLDBEESA-N	306.409	3.967	50	40	DHGB	
CCCOc1c(Cl)cc(-c2nc(CCl)no2)cc1OC	20284871	LHXIDORORXEWPW-UHFFFAOYSA-N	317.172	3.926	50	40	DHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)n1	408824579	REHWMFMMNVARQH-XNTDXEJSSA-N	318.380	3.547	50	40	DHGB	
O[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1Br	1685763	NLBFMLNSNADFLQ-JKSUJKDBSA-N	303.199	3.632	50	40	DHGB	
BrCc1cc(Br)cc2cccnc12	22147579	RUZCLFKANGIDDG-UHFFFAOYSA-N	300.981	3.892	50	40	DHGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1OC	213903007	OSJJNOHPNBVAKX-PTNGSMBKSA-N	322.364	3.558	50	40	DHGB	
O=C(N/N=C\c1ccc(-c2cccc(F)c2)o1)c1cccc(O)c1	409019489	ZJNJTTCLFDZTCF-JAIQZWGSSA-N	324.311	3.555	50	40	DHGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccco1	573563	BUNZUEHDENEPOQ-VCHYOVAHSA-N	314.728	3.957	50	40	DHGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccccc1Br	5514674	XTHHMZAQZMDSRN-YAFRSCOQSA-N	307.191	3.521	50	40	DHGB	
O=C(N/N=C\c1ccccc1)C(c1ccccc1)c1ccccc1	33329785	UFEGKXKTQTZIMT-JWGURIENSA-N	314.388	3.969	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1[C@@H]2CCCC[C@@H]12	103753522	LZEFTSFXJKGUHN-IOMSHRFUSA-N	311.212	3.880	50	40	DHGB	
CCOC(=O)c1cccc(Br)c1CBr	143154371	PEEDOLWKGPCTRB-UHFFFAOYSA-N	321.996	3.521	50	40	DHGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	408858030	IJUNTJOSYILBLZ-RGVLZGJSSA-N	314.360	3.624	50	40	DHGB	
C[C@@]1(CCl)Nc2ccccc2C(=O)N1c1ccc(F)cc1	152619	AEYSGVWOMBZHCE-MRXNPFEDSA-N	304.752	3.853	50	40	DHGB	
Cc1ccc(C)c(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)c1	1320711	HOKXKVBEICNNKM-UHFFFAOYSA-N	313.360	3.651	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c1C	15219513	JUNBJUVXIGKBMK-GDNBJRDFSA-N	321.336	3.757	50	40	DHGB	
CCOc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	33318566	KKIBABIETYWBOB-WQRHYEAKSA-N	302.761	3.503	50	40	DHGB	
O=C(CCl)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1	59421983	GNJHYYKBMZZBIY-UHFFFAOYSA-N	313.744	3.581	50	40	DHGB	
Cc1cccc(C(=O)[C@H](Br)CBr)c1C	307083055	QLLFWHMPDORYOS-SNVBAGLBSA-N	320.024	3.645	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@@H]1c1ccccc1	422529	XJCLJTWZBOPFRO-SFHVURJKSA-N	300.361	3.852	50	40	DHGB	
O=C(CCc1ccco1)NN(Cc1ccccc1)c1ccccc1	32255910	PWGRJFHCKKZKHB-UHFFFAOYSA-N	320.392	3.950	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1	35615093	KCJCKBMNOJXVJM-QNGOZBTKSA-N	321.424	3.749	50	40	DHGB	
O=P(Oc1cccc(O)c1)(c1ccccc1)c1ccccc1	2248736	WTNAAFYLAMNEDW-UHFFFAOYSA-N	310.289	3.700	50	40	DHGB	
O=C(N/N=C/c1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2	3909357	OHZMDFQNSYHHNP-UFFVCSGVSA-N	318.367	3.631	50	40	DHGB	
CC(C)CC(CC(C)C)=NNC(=O)c1ccc2c(c1)OCO2	5832928	SCHKGIDSAQBQJC-UHFFFAOYSA-N	304.390	3.593	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	13988995	SFQVGUJVHJKYGB-VUODPORTSA-N	320.392	3.870	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C(\O)c1ccc(OC)cc1	101605913	WWOFSCJSKPZEKX-YPKPFQOOSA-N	311.274	3.711	50	40	DHGB	
CO[C@H](C(=O)N/N=C(\C)c1ccc(Cl)cc1)c1ccccc1	408770670	ABUCNOVLUMMSJS-QUYZQLMHSA-N	316.788	3.568	50	40	DHGB	
Cc1cccc(CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c1	409144991	PSDQLANSXQHCAN-CQSZACIVSA-N	324.405	3.860	50	40	DHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1c(Cl)nsc1Cl	181949	UMKVBNRZIAILIK-UHFFFAOYSA-N	319.125	3.577	50	40	DHGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3O)o2)cc1	497580	UFFXTUNZKANXPS-UDWIEESQSA-N	320.348	3.725	50	40	DHGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)cc1C	5379848	ADTQQXGQRPCGPK-KGENOOAVSA-N	305.381	3.939	50	40	DHGB	
CC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(OC)cc1	5384939	SIDKOMGMNWREPJ-HEHNFIMWSA-N	321.380	3.721	50	40	DHGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccc(Cl)c1	13534335	MXIDQNWKRGBVRG-AWEZNQCLSA-N	304.802	3.555	50	40	DHGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	40889258	OSVAVZYGWLIAMC-PDGQHHTCSA-N	320.392	3.697	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1	44024514	SRHGWSSPDYUSSY-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
CC(C)c1cccc(N(Cc2ccccn2)C(=O)CCl)c1	199755602	AIRIRRCFWZDUCO-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(C#N)cc3)[nH]c2c1	409390511	DORAWPIWLAYLTF-ZSOIEALJSA-N	300.321	3.507	50	40	DHGB	
N#CC1=C(N)Nc2oc(-c3ccccc3)nc2[C@H]1c1cccs1	214301	BXVLFTFXIZUDJP-CYBMUJFWSA-N	320.377	3.654	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1	559853	CLDVDYYOLBMCDV-VXLYETTFSA-N	311.772	3.894	50	40	DHGB	
CN(C)c1ccc(C(=C(C#N)C#N)c2ccc(N(C)C)cc2)cc1	1583096	JFZVRTTXOOFCRB-UHFFFAOYSA-N	316.408	3.668	50	40	DHGB	
Cc1cc(C)c(/C=C(\C#N)c2nnc3n2CCCCC3)cc1C	7159110	XMCLMQVDTBWPIF-GZTJUZNOSA-N	306.413	3.994	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1	12137345	ZGTGZOMQKHELOU-CIAFOILYSA-N	320.314	3.788	50	40	DHGB	
O=C(Nc1cccc(OC(F)(F)[C@H](F)Cl)c1)C(F)(F)F	28628236	CMXUWUOWKYGOIK-ZETCQYMHSA-N	321.604	3.693	50	40	DHGB	
O=C(N/N=C/c1ccc(F)cc1)c1cccc(C(F)(F)F)c1	59921286	OBWVIUIJEYWZOI-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1	83296310	CLDVDYYOLBMCDV-GRSHGNNSSA-N	311.772	3.894	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(OC)c1	408567247	LBLKFMRHGIFQPA-GHXNOFRVSA-N	323.327	3.783	50	40	DHGB	
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl	159178	FTFGGNSYSXCJMV-ZIAGYGMSSA-N	324.207	3.656	50	40	DHGB	
N#CC1=Cc2cc(Br)cc(Br)c2OC1	2599380	UNBJABPYHGUFEQ-UHFFFAOYSA-N	314.964	3.511	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc2ccccc2n1	4520505	SVKCMEHIIWJKGC-UHFFFAOYSA-N	319.408	3.777	50	40	DHGB	
C[C@H](Oc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1)C(=O)O	59249171	OPOZQGXGTXQVQE-GQVHDAKQSA-N	311.312	3.742	50	40	DHGB	
COc1cc(/C(C#N)=C/c2ccccc2)c([N+](=O)[O-])cc1OC	43085	SCEGECHAONJIFZ-MDWZMJQESA-N	310.309	3.676	50	40	DHGB	
ClCCN(CCCl)Cc1ccsc1Br	1686130	AGNSTCCSGMVWTB-UHFFFAOYSA-N	317.079	3.790	50	40	DHGB	
O=C(/C=C/c1cccnc1)NN(c1ccccc1)c1ccccc1	40050023	WKETYGBQDWMOGB-BUHFOSPRSA-N	315.376	3.964	50	40	DHGB	
Cc1ccc2nc(-n3nc(C)c(C(=O)Cl)c3C)sc2c1	57351349	DNCRORJGAHXITO-UHFFFAOYSA-N	305.790	3.786	50	40	DHGB	
CC1(C)[C@@H]2C[C@@H]3OB(CCCCBr)O[C@]3(C)[C@@H]1C2	396020931	DQGAIMVYOVPBSD-KZVDOYCCSA-N	315.060	3.890	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(Cl)c2)cc1C	409179818	TYZZFCQUCROCEW-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)OC)ccc21	4046213	COEAVMRYPYRJPP-UVTDQMKNSA-N	304.349	3.894	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1	4745587	SBGUXOKHVQUQML-QINSGFPZSA-N	322.364	3.640	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	5387281	YOURQKOXZCMLIF-JYRVWZFOSA-N	304.309	3.844	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccccc1	12362315	RJSOQKQLDZDIEA-PXLXIMEGSA-N	317.392	3.792	50	40	DHGB	
BrCCc1c[nH]c2cc(Br)ccc12	199564147	LVKTZPWIHCVVEI-UHFFFAOYSA-N	302.997	3.868	50	40	DHGB	
CC(C)NC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	213933555	QVVCNPAPFPLSHL-WJDWOHSUSA-N	306.365	3.910	50	40	DHGB	
CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1	1967115	KQZJXFCHWZTMMO-LDADJPATSA-N	311.406	3.896	50	40	DHGB	
CCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	3107601	UYQYNEQXRXDXCC-UHFFFAOYSA-N	315.325	3.993	50	40	DHGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1	4548381	ZJAYRHYJDAXJLC-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
CCOc1ccc(CC(=O)N/N=C(/c2ccccc2)C(C)C)cc1	10475903	UYBILUBUMYXGPL-LSDHQDQOSA-N	324.424	3.804	50	40	DHGB	
C=CCNC(=O)/C(C#N)=C\c1ccccc1Oc1ccccc1	26686836	YBMAOFBYKJUYFY-SSZFMOIBSA-N	304.349	3.688	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc2c(c1)OCO2	5810737	QCROMILSZYPNDA-GHXNOFRVSA-N	309.258	3.546	50	40	DHGB	
COc1ccc(Cl)cc1C(=O)N/N=C(\C)Cc1ccccc1	5381712	FFOWJVHHSNRZDQ-XDHOZWIPSA-N	316.788	3.697	50	40	DHGB	
Cc1c(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cnn1C	96569149	WMYJOYBZFXHSPZ-ZSOIEALJSA-N	306.394	3.916	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(F)c2)c1	408743587	BGSZDTUTBAHYPK-ZROIWOOFSA-N	310.328	3.770	50	40	DHGB	
CC(=O)N(c1nc(CCl)cs1)c1ccc(F)cc1F	4200463	XZQXSPYURCTKRJ-UHFFFAOYSA-N	302.733	3.845	50	40	DHGB	
Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21	33328768	QPOJCMKKODXEPA-KAMYIIQDSA-N	301.349	3.724	50	40	DHGB	
COc1ccc(/C=N/NC(=O)Cc2ccc3ccccc3c2)cc1	44002224	DSWXXIARUAXWII-KGENOOAVSA-N	318.376	3.541	50	40	DHGB	
Cc1cccc(-c2nc3ccc(NC(=O)CCl)cc3o2)c1	216856342	PWAINLSZBQKWSU-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)C1	12403603	STWVLHHEKSOYEN-VDMFXUGISA-N	313.357	3.613	50	40	DHGB	
COC(=O)[C@@H]1CCC[C@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3Br	104127125	BRSKSAQQGYBNNN-DAHVATMRSA-N	315.251	3.775	50	40	DHGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408800920	QEPPCOIFWZRNPA-RVDMUPIBSA-N	322.364	3.725	50	40	DHGB	
O=C(N/N=C\c1ccc(O)c(Cl)c1)c1cc2ccccc2o1	408858870	UEZKGINXMQXHRB-NVMNQCDNSA-N	314.728	3.556	50	40	DHGB	
Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1	3525451	FVROQVOOTIISQD-HYARGMPZSA-N	315.376	3.700	50	40	DHGB	
CC(/C=N/NC(=O)c1ccc2[nH]c(C)nc2c1)=C\c1ccccc1	8683417	VUYLXJHXSXPKHJ-TVXDCWTGSA-N	318.380	3.690	50	40	DHGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1ccc(O)cc1	33559859	PWJIOUAIQHRBFX-NTMALXAHSA-N	316.719	3.730	50	40	DHGB	
CC(C)(C)OC(=O)Nc1ccccc1C(=O)CBr	199829918	JTKBHWTZCODYNL-UHFFFAOYSA-N	314.179	3.611	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c([N+](=O)[O-])c2)cc1	262647	VXORBABCIGRZOA-OQLLNIDSSA-N	321.336	3.757	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1C	369376	VYDGSHGRAYPMSG-HMMYKYKNSA-N	309.413	3.523	50	40	DHGB	
CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C	12561994	OBPOWEVMSNKZCM-ZCXUNETKSA-N	310.378	3.650	50	40	DHGB	
C/C(=N\NC(=O)c1oc2ccccc2c1C)c1scnc1C	41700004	HIMGFCUZVWSXJM-WOJGMQOQSA-N	313.382	3.660	50	40	DHGB	
O=C(CCCCl)Nc1ccc(OC(=O)CCCCl)cc1	101638812	DTFPOOOHSIMWBV-UHFFFAOYSA-N	318.200	3.569	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2O)cc1Cl	572998	CPIQPTPABLMYLY-MDWZMJQESA-N	312.756	3.900	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1	46705690	MDFMBFOOZUICKA-XFFZJAGNSA-N	309.196	3.959	50	40	DHGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/C(C)(C)CCC#N	5370457	SYUSRAFHZIVCPT-RNEAKCBISA-N	303.431	3.599	50	40	DHGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccccc2Br)C1	5159689	PRULJXOCSUULRC-ADHQNKHFSA-N	309.207	3.745	50	40	DHGB	
CN1C[C@H](Cl)CN=C(c2ccccc2F)c2ccccc21	39206317	DKQGKJGCWMAVBF-GFCCVEGCSA-N	302.780	3.720	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3F)o2)cn1	39402875	PMTGVLNGCDRJAW-NHDPSOOVSA-N	323.327	3.553	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	409115864	HWMDEQOUSXKUOS-UZUMKDMXSA-N	312.438	3.934	50	40	DHGB	
O=C(N/N=C/c1cccnc1)c1cc2c(ccc3ccccc32)o1	567206	CQVPZKJPQNVULX-CIAFOILYSA-N	315.332	3.745	50	40	DHGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccccc1	4136002	AQUMKPOANNJDPS-PDGQHHTCSA-N	324.409	3.601	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1	208309249	CGKNSIMYFWLCLW-XFFZJAGNSA-N	309.196	3.959	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1	408783398	KZLCEZHNSAGJNQ-IYSPOMMRSA-N	312.438	3.767	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21	409366101	SPPYOCKWAGRQHL-KGENOOAVSA-N	317.392	3.520	50	40	DHGB	
CCCO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1614614	YHVWFMWREZSBEW-ZANVPECISA-N	301.180	3.666	50	40	DHGB	
Cc1cc(OCC(=O)N/N=C/C(C)C)c(C(C)C)cc1Cl	5697587	SCWYOHAOSWBQST-QGMBQPNBSA-N	310.825	3.909	50	40	DHGB	
CCCCCC1=CCC/C1=N\NC(=O)c1ccc([N+](=O)[O-])cc1	5560590	BFEPCEAPJHXERR-FBMGVBCBSA-N	315.373	3.981	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21	6967159	AOTMJMGQQPPJEA-FYJGNVAPSA-N	317.392	3.900	50	40	DHGB	
C[C@@H](Cl)C(=O)Nc1nc2ccc(Br)cc2s1	20131945	OFAIVGRLALVHNH-RXMQYKEDSA-N	319.611	3.625	50	40	DHGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(F)cc2)cc1	408567271	LGAFFAACKFZCHG-FYJGNVAPSA-N	312.388	3.816	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc(O)c1	5604963	WDEJWCDAKCKFCX-SFHVURJKSA-N	314.344	3.764	50	40	DHGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccs2)cc1	6357462	JIENGJDARDZJEC-LDADJPATSA-N	300.427	3.738	50	40	DHGB	
CCn1c2ccccc2c2cc(/C=C(/C#N)S(C)(=O)=O)ccc21	96765750	KZNPGZYQTDSTSZ-UVTDQMKNSA-N	324.405	3.723	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccs1	487220	NCCLDXSCAAEORQ-OQLLNIDSSA-N	323.215	3.665	50	40	DHGB	
C[C@H](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@H](C)Cl	1638623	KRYAAKUROZUYRW-RYUDHWBXSA-N	320.240	3.796	50	40	DHGB	
CC(C)c1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1	59515833	VXPGUHNYUWZKEP-UHFFFAOYSA-N	315.417	3.575	50	40	DHGB	
N#CC1=C(N)Nc2oc(-c3ccccc3)nc2[C@H]1c1ccccc1	368802	BGLKXSHHIPVEQN-HNNXBMFYSA-N	314.348	3.593	50	40	DHGB	
CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(-c2ccccc2)cc1	96517792	UYIWFUQDYWRDMH-MRXNPFEDSA-N	322.813	3.536	50	40	DHGB	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(N)=S	408543830	RNQHPJFJQCGNAY-RIYZIHGNSA-N	312.369	3.598	50	40	DHGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	20247939	CLZXGSAHUOMJGB-HWQJWEFDSA-N	318.829	3.971	50	40	DHGB	
C[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	60216905	WAYJZBKPYHUYKH-JBDAPHQKSA-N	311.425	3.693	50	40	DHGB	biogenic
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	252497707	QNQSRSWERMEJAF-POHAHGRESA-N	305.692	3.819	50	40	DHGB	
O=C(CCl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	3888990	RRKZSGBZHQBAPI-UHFFFAOYSA-N	320.742	3.873	50	40	DHGB	
N#C/C=C(/c1ccc(F)cc1)N1CCN(c2ccccc2)CC1	6848018	FNYUGHPDGOBBSV-GRSHGNNSSA-N	307.372	3.512	50	40	DHGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(C2CC2)cs1	17170424	JNZTWLUMEVUSND-YRNVUSSQSA-N	311.366	3.726	50	40	DHGB	
O=C(NC(=O)OCCCCCl)Nc1cccc(Cl)c1	1573436	ORFDXVYYGIYWMD-UHFFFAOYSA-N	305.161	3.617	50	40	DHGB	
O=C(Cl)/C=C(\c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	1600281	UQTJNYJQEYEOIN-UKYUDJEDSA-N	301.729	3.853	50	40	DHGB	
CCCCC(O)(CCCC)C(=O)N/N=C/C=C/c1ccccc1	2275545	HCGDHHYMTPOOMZ-LKCPLBJASA-N	316.445	3.913	50	40	DHGB	
Cc1cc(C)c2cc(/C=C(\C#N)C(=O)C(C)(C)C)c(=O)oc2c1	2518610	DZXXTNVJVRNJGW-RIYZIHGNSA-N	309.365	3.932	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2Br)s1	3572276	VHBGUWIKRWUPBO-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	4544423	ARJRIODXTMVTTN-JUICJWRVSA-N	302.805	3.942	50	40	DHGB	
COc1cc(OC)c(/C=C(/C#N)c2cccc(F)c2)c(OC)c1	409392177	LSDPQVCYNDQKLY-JYRVWZFOSA-N	313.328	3.916	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	4808809	OVZMHUNCNQETLG-XYOKQWHBSA-N	320.308	3.544	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OC	5130543	BRBVBNUPOXJJPT-RVDMUPIBSA-N	322.364	3.558	50	40	DHGB	
C=CCn1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21	6510927	BKLBGHLVWGSVDR-QINSGFPZSA-N	319.408	3.793	50	40	DHGB	
COc1ccc(/C(C#N)=C2/C=C/C(=N\O)c3ccccc32)cc1	31778072	CYCYSCSRPYPQLM-DWNWEZKESA-N	302.333	3.878	50	40	DHGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(C)c1O	107682194	OSTXPFLPAOVDIR-GRSHGNNSSA-N	308.337	3.519	50	40	DHGB	
CC(C)c1cccc(NC(=O)[C@@H](Br)C(C)C)c1O	161303	NSFQPBFEANXFHY-LBPRGKRZSA-N	314.223	3.874	50	40	DHGB	
CCn1c(C)nc2cc(C(=O)NN=C3CCCCCC3)ccc21	7894504	HUCWMHAPFDKART-UHFFFAOYSA-N	312.417	3.805	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(OC)c1	21191697	RAZFGVMSJJQXJS-LFIBNONCSA-N	307.349	3.884	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC	40865761	ZMFKMZBOWYHPAC-RVDMUPIBSA-N	322.364	3.558	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1	67189561	STLISWFWPWBYGW-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
FCCO[C@@H]1CC(F)(F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215670079	SADROALXJFTQPE-RRKCRQDMSA-N	302.617	3.648	50	40	DHGB	
O=C(Nc1cccc(OC(F)(F)[C@@H](F)Cl)c1)C(F)(F)F	28628234	CMXUWUOWKYGOIK-SSDOTTSWSA-N	321.604	3.693	50	40	DHGB	
C[Si](C)(C)OP(=O)(O[Si](C)(C)C)C(=O)C(F)(F)F	195754679	KBMUNQUIGXCEHE-UHFFFAOYSA-N	322.368	3.971	50	40	DHGB	
COc1cc(C/C(C#N)=C\Nc2ccccc2)cc(OC)c1OC	87008	LMGNGGBSQVPQCO-FYWRMAATSA-N	324.380	3.774	50	40	DHGB	in-vitro
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1ccsc1	495564	MXACPJKCPLBEQM-MRXNPFEDSA-N	320.373	3.825	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2nc1Cl	3176438	XEWNBKSYGZGZEP-RIYZIHGNSA-N	314.772	3.975	50	40	DHGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2	4975527	FPAPEQASBSKZKC-RCHOVCHVSA-N	300.446	3.741	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1	5027157	FEFPIIJESWQPNR-WJDWOHSUSA-N	313.360	3.948	50	40	DHGB	
N#CSc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1	13253330	NDZSYLQBUXIXJQ-UHFFFAOYSA-N	318.398	3.623	50	40	DHGB	
CC(C)(C)NC(=O)/N=C(/C(Cl)Cl)N1CCCCCC1	102431574	CNAHSBJGXGVXSK-WJDWOHSUSA-N	308.253	3.573	50	40	DHGB	
N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)c1ccccc1F	107668906	NBQVOTTVTABPHX-LCYFTJDESA-N	320.323	3.929	50	40	DHGB	
CCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1	136589088	BMIYLPZHMDXLHI-UHFFFAOYSA-N	307.353	3.932	50	40	DHGB	
O=C(Cl)[C@@H](N[C@@H](C(=O)Cl)c1ccccc1)c1ccccc1	228945974	YXIVQOJLTVTNOC-OKILXGFUSA-N	322.191	3.589	50	40	DHGB	
O=C(Nc1ccccc1Cl)[C@H](Cl)C(=O)c1ccccc1	363055	NUOZMSCRISOLGL-CYBMUJFWSA-N	308.164	3.769	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccccc2F)cc1	409130779	NGSOSWJBSYEVRW-XDHOZWIPSA-N	316.401	3.767	50	40	DHGB	
C/C(=N/NC(=O)c1ccoc1C)c1cccc(Br)c1	16264892	GJXUPKPLMKKADW-SXGWCWSVSA-N	321.174	3.505	50	40	DHGB	
C/C(=N\NC(=O)COc1ccccc1)c1cccc2ccccc12	408534376	VKFBRVMYSXWTFT-RCCKNPSSSA-N	318.376	3.759	50	40	DHGB	
Clc1cccc(NC2=NC[C@H](CBr)S2)c1	79903	LAMPEYMXXLMPGL-VIFPVBQESA-N	305.628	3.618	50	40	DHGB	
CC(C)(C)c1cc(C2CCCCC2)cc(/C=N/NC(N)=O)c1O	5481496	WWMATDZNCXXLEG-RGVLZGJSSA-N	317.433	3.740	50	40	DHGB	
Cc1ccc(N/C=C(\C=O)c2nc3ccccc3o2)c([N+](=O)[O-])c1	6546281	CNRSNZNLPNVERO-FMIVXFBMSA-N	323.308	3.696	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)c(OC)c1	44028507	NFXBJSRXKNWHML-JYRVWZFOSA-N	313.378	3.864	50	40	DHGB	
Cc1c(C(=O)N/N=C/c2ccccc2)[nH]c2ccc(Cl)cc12	551722	LVMAAZVSLGNJHV-VXLYETTFSA-N	311.772	3.894	50	40	DHGB	
CCCCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1O	8397036	CEMBSTLLGHLHQG-QGOAFFKASA-N	306.406	3.689	50	40	DHGB	
N#C/C(=C/c1ccc(I)o1)c1ccccc1	12363774	ITPFQFFFVZIRFP-FLIBITNWSA-N	321.117	3.948	50	40	DHGB	
CCc1ccc(/C(C)=N\NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1	13325278	NKMMQQKVPCQRMW-GIDKMQSTSA-N	306.409	3.893	50	40	DHGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccsc2)ccc1OC	44028073	PYBBKQVNRIYBJI-RIYZIHGNSA-N	313.378	3.945	50	40	DHGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(C(F)(F)F)cc1	215554131	ISPZZHGWWCLKSP-FBHDLOMBSA-N	324.277	3.537	50	40	DHGB	
ClCCN(CCCl)c1ccc(CN2CCCCC2)cc1	1763130	LKEHDKKBADQSEJ-UHFFFAOYSA-N	315.288	3.957	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1)c1ccccc1Br	4964533	PHGLYPVHENUFBX-GZTJUZNOSA-N	317.186	3.603	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)s1	6124835	OCBIEMRNZSMHHY-JSUXISIESA-N	312.438	3.954	50	40	DHGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc(Br)cc1	16892122	WAFZFLUUMAGCOR-NTMALXAHSA-N	317.142	3.588	50	40	DHGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccs1	59473246	VTBSWMOIEGABSF-LZYBPNLTSA-N	324.858	3.785	50	40	DHGB	
CC1CCN(c2c(Cl)cc(C(=O)Cl)cc2[N+](=O)[O-])CC1	70462574	GJOVAOFUCPAFJJ-UHFFFAOYSA-N	317.172	3.864	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC	408543184	NAGFWKLEYNJNFI-YBEGLDIGSA-N	323.348	3.856	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1	408565775	AFEWRXLBVPOJRW-KGENOOAVSA-N	324.424	3.686	50	40	DHGB	
CCc1ccc(/C(C)=N\NC(=O)CC2(C)SCCS2)cc1	408586405	BRFIJEIJUYTEHZ-ATVHPVEESA-N	322.499	3.676	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cccs1	585286	NEYBJOJXSAJZSA-WOJGMQOQSA-N	310.378	3.674	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1cc(C)ccc1C	33667943	OVIUXXPAIHVINA-BUNAONMUSA-N	322.408	3.888	50	40	DHGB	
C=CCN(C)/C=C\C(=C\C=C(\C#N)C(=O)OCC)c1ccccc1	35188506	HFRDSZLDLADZSV-VPSRANMHSA-N	322.408	3.715	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	40139595	QQXFAIMPCYXKBE-QDDJLWQGSA-N	312.413	3.687	50	40	DHGB	
CN(C)C(/C=C/Nc1ccc(Cl)cc1Cl)=C(C#N)C#N	100913227	RQOZGJCJGOZQOJ-AATRIKPKSA-N	307.184	3.782	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1Br)c1ccc(C)o1	223444	HZNJWCYGLHUFHK-MHWRWJLKSA-N	321.174	3.505	50	40	DHGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O	370361	YWKGZAQUPKTFJL-UHFFFAOYSA-N	318.804	3.588	50	40	DHGB	
COc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl	1739028	VAUIKHBHXXRBDW-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
COc1c(Br)cc(Br)cc1/C=C/C#N	33768795	NVSFUXAOPYMKQL-NSCUHMNNSA-N	316.980	3.757	50	40	DHGB	
CC(C)=CC[P+](c1ccco1)(c1ccco1)c1ccco1	98174829	KSZXDUZZHRDHFZ-UHFFFAOYSA-N	301.302	3.726	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)o1	408789743	KSPHZTUASFPOIT-YRNVUSSQSA-N	316.744	3.796	50	40	DHGB	
CCCCC/C=N/NC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1C	4013095	RLZOQVMGOREWFX-RQZCQDPDSA-N	316.361	3.680	50	40	DHGB	
CCCSC1=C(C#N)[C@H](c2ccccc2OCC)CC(=O)N1	9329897	DZVYFVJKXSVWNH-ZDUSSCGKSA-N	316.426	3.567	50	40	DHGB	
Clc1ccc(C2=NO[C@@H](CBr)C2)c(Cl)c1	217842369	MOXCCADKIPFKFP-SSDOTTSWSA-N	308.990	3.881	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccccc3o2)cc1C(=O)O	409049751	YHFVEJHAKKJXKQ-WQLSENKSSA-N	320.304	3.599	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1C	59475	FAXULIFEWSCWMN-OVCLIPMQSA-N	320.348	3.578	50	40	DHGB	
C[C@H](CCO)CC[C@H](Br)C(C)(C)Br	1584787	BOMGTQQCFLBAGM-IUCAKERBSA-N	316.077	3.722	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	5130459	CSAOJUYWYUGPLB-VUODPORTSA-N	320.392	3.870	50	40	DHGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)C(C)(C)C	6823153	VZEOPNHOEAQQQD-YRNVUSSQSA-N	322.202	3.980	50	40	DHGB	
CCOC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)ccc1Cl	16679940	UPEJGPONZGKSEQ-FPLPWBNLSA-N	318.682	3.741	50	40	DHGB	
CCOC(=O)c1cc(CBr)ccc1Br	82046687	IJJHZSGMIWVXHX-UHFFFAOYSA-N	321.996	3.521	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC	409364691	OSCOFMWRCAJRDW-NVNXTCNLSA-N	323.348	3.887	50	40	DHGB	
N#C/C(=C\c1coc2ccccc2c1=O)c1nc2ccccc2[nH]1	4951692	IMDPQZDHSCMMFS-FMIVXFBMSA-N	313.316	3.733	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)[C@@H](C)SCc1ccccc1	58915936	OCQAIDRDOLAOJP-VGSSETLESA-N	318.467	3.829	50	40	DHGB	
C/C(=N/NC(=O)CC1(C)SCCS1)c1ccc(C)cc1C	408592480	YMPPVKSHPNKECI-LGMDPLHJSA-N	322.499	3.730	50	40	DHGB	
COc1cccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)c1	409061226	CAUUWEMDZUVFME-PFPWIQQFSA-N	314.772	3.512	50	40	DHGB	
CCOC(=O)/C(C#N)=C(\CC)c1cc(Cl)cc(Cl)c1O	1612462	GLJTUTUHJHDTOA-PKNBQFBNSA-N	314.168	3.949	50	40	DHGB	
O=C(NNC(c1ccccc1)c1ccccc1)c1ccccc1	1696161	BSMUONGXXDAIKK-UHFFFAOYSA-N	302.377	3.711	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1c[nH]c2ccccc12	2739756	CEGRIOJEQWIABP-AWQFTUOYSA-N	315.735	3.724	50	40	DHGB	
O=C(CCl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	3885217	UEBPPDDUWDPSDW-ZDUSSCGKSA-N	323.179	3.850	50	40	DHGB	
C/C(C=O)=C\c1cc(Br)cc(Br)c1O	5516748	NIBLOFZIHDLLFU-QHHAFSJGSA-N	319.980	3.519	50	40	DHGB	
CN(C)C(C/C=N/Nc1ccc(Cl)cc1Cl)=C(C#N)C#N	5524761	IREJROAHDSQCSV-KPSZGOFPSA-N	322.199	3.644	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1	8043403	APGKQHZZBNWENS-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
Cc1ccc(-c2nc3cc(NC(=O)CSC#N)ccc3o2)cc1	216855450	GMYDJGWAOAQOBI-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccs1	408882433	RCBFCWWASVMOQP-YRNVUSSQSA-N	313.338	3.510	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccccc2cc1O	4156359	FHDFNOYOFXNWQI-BBEMBHMFSA-N	308.381	3.697	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	17197844	LFCATDBSLUCQDB-LCYFTJDESA-N	310.246	3.725	50	40	DHGB	
N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	1320698	IKKCRMCURCKICQ-UHFFFAOYSA-N	319.751	3.688	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	15219454	MMZWLHHVJFUHAQ-RAXLEYEMSA-N	312.756	3.894	50	40	DHGB	
O=C(O)c1ccc([C@H](Cl)C(Cl)(Cl)Cl)cc1O	17020897	OHERYFSRCLTWML-ZETCQYMHSA-N	303.956	3.741	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1	59473255	FFBFZCLKBMNSQI-YBFXNURJSA-N	312.438	3.687	50	40	DHGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)cc1	67005850	UGRRFSKLLROSCD-XFFZJAGNSA-N	316.719	3.730	50	40	DHGB	
C/C(=N/NC(=O)Nc1ccncc1)c1ccc(Cl)c(Cl)c1	1395001	CQOSMAYVOVLLCZ-OCKHKDLRSA-N	323.183	3.934	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	3615885	PFWMZGCALOPQBO-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1Cl	5437474	OPXOICRRWXTCBZ-CQDKDKBSSA-N	309.837	3.640	50	40	DHGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)C2CC2)cc1	6405581	XXGFUSBLKZTQRQ-KGENOOAVSA-N	321.424	3.573	50	40	DHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1Cl	6899353	HRIBGPFXOLCSHT-JUICJWRVSA-N	302.805	3.942	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1C	108037180	WIRCFKTVKVJURZ-FYJGNVAPSA-N	318.376	3.921	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccsc1	108039977	PLAXGDTWJVEETK-VCHYOVAHSA-N	310.378	3.674	50	40	DHGB	
O=C(Cl)c1cc(C(F)(F)F)cc(Br)c1F	575690113	XKNBRKGCFVEBPE-UHFFFAOYSA-N	305.452	3.986	50	40	DHGB	
O=CNc1ccccc1SSc1ccccc1NC=O	31240	BXBKULIBOWULRA-UHFFFAOYSA-N	304.396	3.623	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc(C)cc1	6189998	QEYMVJPOYRGBLZ-DEDYPNTBSA-N	315.804	3.601	50	40	DHGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)c2ccccc2)c1C	7007319	ONMMSADMJSNLBR-LDADJPATSA-N	308.381	3.541	50	40	DHGB	
CCCCCN(CCCCC)C(=O)CCN1CC=C(C#N)CC1	95452642	OEEACATZYAXBOJ-UHFFFAOYSA-N	319.493	3.741	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2ccccc2OCC(C)C)c1	408605180	XGHYQFAJHBIPQV-UDWIEESQSA-N	310.397	3.794	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2ccccc2)c1O[C@@H](C)C(=O)O	409236261	FWEQAKCMSGZTHU-XDUBLRSXSA-N	323.348	3.611	50	40	DHGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1)OCO2	8336772	BAHCDUUTEXWICJ-AUWJEWJLSA-N	308.293	3.696	50	40	DHGB	
COc1ccc(C(=O)Cl)cc1-c1cc2ccccc2oc1=O	218726902	YRQSBOXMJUJMTG-UHFFFAOYSA-N	314.724	3.848	50	40	DHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1	585145771	TWGXDQAGKIRLOW-VJGWNOENSA-N	304.340	3.567	50	40	DHGB	
Cc1cc(C(=O)N/N=C/c2cc(C)n(CC(C)C)c2C)c(C)o1	7422335	SIFCBXHEILSHPX-DJKKODMXSA-N	315.417	3.735	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2cccs2)c2ccccc12	46121	LSHBUVXPWJYIQP-WOJGMQOQSA-N	310.378	3.674	50	40	DHGB	
CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OC	8079519	SZBJNDUQMUJFDQ-NTUHNPAUSA-N	300.383	3.923	50	40	DHGB	
CC(C)c1cccc(N(Cc2cccnc2)C(=O)CCl)c1	199755628	HIWFEHNERWWFIG-UHFFFAOYSA-N	302.805	3.977	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C/c2cccc3ccccc23)c1	584762	SEPZUTFMFXMWNZ-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccc(Br)cc2)C1	4587744	DVWAQHPHOKFZOS-CDSOTZFASA-N	309.207	3.745	50	40	DHGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C)o1	5618346	MCUPTCHLWBRKMD-XSFVSMFZSA-N	306.365	3.824	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1	5667267	NKMMQQKVPCQRMW-NYJBXQQLSA-N	306.409	3.893	50	40	DHGB	
COc1cc(F)cc(C(=O)CCCCCBr)c1	575357785	WZZQSIDABFHUEX-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
Cc1ccc2c(c1)c1c(n2CCBr)C(=O)CCC1	365861	PLDRPIZGNVJBSH-UHFFFAOYSA-N	306.203	3.864	50	40	DHGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	4366133	JNFDOQSWKSTOHO-UHFFFAOYSA-N	317.389	3.917	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2cccc(Br)c2)cc1	34910613	PHPZMVKZEPQXAL-YVLHZVERSA-N	317.186	3.521	50	40	DHGB	
COc1ccc2[nH]c(C(=O)N/N=C(\C)c3ccc(C)cc3)cc2c1	9095109	KLZPJYJZEXOKTN-FYJGNVAPSA-N	321.380	3.639	50	40	DHGB	
CCCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	12276342	WDUQDDYIRPGMRS-CQSZACIVSA-N	316.426	3.567	50	40	DHGB	
Cc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	33285443	JSQAAAPXIMEGPF-YVLHZVERSA-N	317.186	3.521	50	40	DHGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc[nH]2)cc1	36243700	SADCRQJOKMCNEX-KTTNNNJESA-N	309.413	3.566	50	40	DHGB	
C/C(=N\NC(=O)CSc1ccc(C)cc1)c1cccs1	58674956	QRPSRRQZEOMXNY-FOWTUZBSSA-N	304.440	3.689	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)C12CC3CC(CC(C3)C1)C2	100435120	FPAPEQASBSKZKC-QXUPVXDUSA-N	300.446	3.741	50	40	DHGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1ccccc1	408959614	BZEMJPHFGJLVJZ-HKWRFOASSA-N	322.412	3.833	50	40	DHGB	
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)cc1	351027	RIPKDPUVJBSBGH-MRXNPFEDSA-N	323.396	3.717	50	40	DHGB	
CO[C@H]1CC[C@H]2CCN3CCC(CCl)=C(CCCl)[C@@]23C1	4533085	SJVALRLGJXCADE-OFQRWUPVSA-N	318.288	3.814	50	40	DHGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1ccc(Cl)cc1Cl	17054477	XVKOESQZAXFOIU-JXMROGBWSA-N	318.163	3.934	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1	30791400	JSIQPJZHTXDOBM-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
C[C@H]1C[C@@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@H]1CC[C@@H]2C1	100761771	SVRPOTXJQJBPHV-RKJWHMEMSA-N	312.413	3.570	50	40	DHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(F)cc1	408757552	ZVFDJYBGPSSQLA-UFFVCSGVSA-N	324.277	3.537	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)c1C	408796403	OXWMOMTYIHUHEZ-GXDHUFHOSA-N	309.369	3.508	50	40	DHGB	
CCN(CC)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	3252518	YVHKZTLEDCYVDF-UHFFFAOYSA-N	314.341	3.660	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1c(F)cccc1Cl	5602956	IEFDKKCILWIVEZ-YBFXNURJSA-N	304.752	3.562	50	40	DHGB	
CC(C)N(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CCl	79415017	OVXZLQBWVLEJPO-KRWDZBQOSA-N	322.880	3.517	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C	408871248	YFZWCHMPTIUIIU-DWKWTICRSA-N	309.413	3.753	50	40	DHGB	
O=C(N/N=C/CCc1ccccc1)c1ccc2ccccc2c1O	17054572	IFKKAAGIJFPXHB-KGENOOAVSA-N	318.376	3.894	50	40	DHGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3CC=C[C@@H]23)c(C)n1-c1ccccc1	89580009	MOBPVRRYHFDDPE-VXHFXFQXSA-N	319.408	3.776	50	40	DHGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1	96589625	USIFVDFMRLIYEM-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1CCCC/C1=N\O	102962074	MQZLYRPLRQCPEH-GHNGSUTGSA-N	313.337	3.773	50	40	DHGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccc2c(c1)CCCC2	4504716	GAEAVCLRGNSHMU-UYRXBGFRSA-N	312.438	3.710	50	40	DHGB	
S=C1SS/C(S)=N\CC/N=C(\S)SS1	5411582	VFKJJVUIEVOWSG-UHFFFAOYSA-N	318.586	3.619	50	40	DHGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=C1CCCCC1	5925798	GLTYRVMYTXEPMC-LBPRGKRZSA-N	308.809	3.852	50	40	DHGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccco3)cc2C1	8525820	VVCCZHHUIOBGAD-JDAJCMJVSA-N	302.399	3.620	50	40	DHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1	14003034	SSSRDTWBZAJTSP-VCHYOVAHSA-N	307.180	3.686	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccc(O)cc1	15231475	OLOWXJUTOSEZFS-CLFYSBASSA-N	304.758	3.653	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2c(O)ccc3ccccc23)s1	13321961	LNJKKTXZXAXNLV-VCHYOVAHSA-N	310.378	3.679	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(C)cc2C)c1C	408996543	PXYGDKDTDSZVRM-MHWRWJLKSA-N	323.396	3.576	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2sccc2C)cc1	409120733	SJQGXKUBKOVQFL-VZWMTCDZSA-N	318.467	3.996	50	40	DHGB	
O=[S@@](c1ccc(Cl)cc1)[S@@](=O)c1ccc(Cl)cc1	4769612	LCXVCECTWHFMQM-ROUUACIJSA-N	319.234	3.824	50	40	DHGB	
Cc1cn2c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(C)nc2s1	28621281	FZDKDXOTUFIHNA-KPKJPENVSA-N	319.393	3.953	50	40	DHGB	
CCOc1ccc(N[C@@H](C)C(=O)N/N=C2/CCCC[C@@H]2C)cc1	28632576	OTUJSBCXCMHNQY-YVVBVMADSA-N	317.433	3.568	50	40	DHGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	4306521	BMFXPTWLNORZHH-IBSGOMHESA-N	322.364	3.957	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(C)C)c(OCC)c1	96662765	VGRYKYQIHWYDDP-DHDCSXOGSA-N	317.385	3.590	50	40	DHGB	
C/C(=N\NC(=O)C1CC1)c1ccc(-c2ccccc2F)s1	98054653	SUODSCGQIFFVPT-VCHYOVAHSA-N	302.374	3.804	50	40	DHGB	
CCN1c2cc(C)c(/C=N/NC(C)=O)cc2[C@@H](C)CC1(C)C	223572521	GKWCNBMMLTVPKL-MDBUFAAASA-N	301.434	3.577	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	468416	ITYITFZNWZKCPL-GHRIWEEISA-N	308.356	3.726	50	40	DHGB	
C=CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	3167528	HOEPMKUMOXUZQA-XDHOZWIPSA-N	314.772	3.669	50	40	DHGB	
CCCc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1	4646840	OPDGMVWCEHZTOT-XSFVSMFZSA-N	310.397	3.802	50	40	DHGB	
CC(/C=C/c1ccccc1F)=N\NC(=O)c1cccc(F)c1	13114959	UYGSYNOLNYZJEQ-IIASEUIPSA-N	300.308	3.784	50	40	DHGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C2	5295961	FMNLLNYWLXWVQC-XKCCZLIESA-N	315.373	3.527	50	40	DHGB	
N#CC1=C(c2ccccc2)CSC(c2ccccn2)=NC1=N	8844900	MPVQMXOXFHTMOF-UHFFFAOYSA-N	304.378	3.530	50	40	DHGB	
Cc1cccc2sc(NNC(=O)c3ccccc3F)nc12	429752	GSRCKESXIKCHJZ-UHFFFAOYSA-N	301.346	3.501	50	40	DHGB	
CCOc1ccccc1/C=N/NC(=O)c1ccccc1Cl	485101	JQCPJASBYNHRSZ-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc2ccccc12	492981	VGSBOMKSYLFNPP-GOSISDBHSA-N	304.349	3.510	50	40	DHGB	
N#C/C(=C\c1cccnc1)C(=O)Nc1cc(Cl)ccc1Cl	3477222	UADLTEAGRDWNPW-IZZDOVSWSA-N	318.163	3.934	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(Cl)c1	9190585	DAIZKBGVIVQKGE-KEBDBYFISA-N	311.772	3.894	50	40	DHGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccccc1F	18192157	HEHNRAPOEBMVBX-RGVLZGJSSA-N	323.327	3.553	50	40	DHGB	
O=C(OC(CCl)CCl)[C@@H]1CC[C@H]2[C@@H](C1)C2(Cl)Cl	5376965	JPYVZIVSPZMBKG-BWVDBABLSA-N	320.043	3.596	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cccs2)cc1	11582402	ZCKXVDCDOMRDIV-WQRHYEAKSA-N	316.426	3.575	50	40	DHGB	
CC(C)c1ccc(/C=N\NC(=O)[C@H]2OCCc3ccccc32)cc1	26503741	IJZNNFZNJVESPB-IAFWPLRWSA-N	322.408	3.574	50	40	DHGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)N(C)C)o1	408844328	CDGWUURAGFYPPE-WQLSENKSSA-N	314.772	3.904	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)cc1	408899881	RLBDHGZRJUXDJD-MDWZMJQESA-N	312.756	3.900	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2OC)cc1	238276	RIDWPZUXPFCMJT-RVDMUPIBSA-N	322.364	3.558	50	40	DHGB	
CCOc1cc(C=C(C#N)C#N)ccc1OC(=O)c1cccs1	917689	YRKKSWWPUPZYMG-UHFFFAOYSA-N	324.361	3.797	50	40	DHGB	
Cc1ccc(C2=C(C#N)[C@H](c3ccccc3)C(C#N)=C(N)O2)cc1	1579666	AQCFDHRGYJMAFT-SFHVURJKSA-N	313.360	3.738	50	40	DHGB	
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1	3321249	JHIIDHQFVBYAAG-SKAFZBRJSA-N	319.320	3.697	50	40	DHGB	
CCCCCCCCCCCC(=O)OC(=O)[C@H]1CCCN1O	100100241	BNGMUEBLFJDUMH-OAHLLOKOSA-N	313.438	3.831	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)o1	131740	BJEHEXWSJOVSDG-MQMKENTISA-N	321.380	3.692	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1	15222070	NUWYUMUMKJCGJC-QINSGFPZSA-N	322.364	3.640	50	40	DHGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(C)c1O	28911979	IWGMYWCBMMWPAT-XNTDXEJSSA-N	303.365	3.960	50	40	DHGB	
O=C(N[C@H](Cl)C(=O)c1ccccc1)c1ccc(Cl)cc1	53944040	ZJJKMCUTNWVFLF-AWEZNQCLSA-N	308.164	3.518	50	40	DHGB	
Br[C@H]1C[C@H]2c3ccccc3[C@H]1[C@@H]2Br	100350251	IOYZZQUDGDVQMG-UKKRHICBSA-N	302.009	3.798	50	40	DHGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(F)cc1	409183390	BRCRLPPWVDBVIY-WSDLNYQXSA-N	318.351	3.841	50	40	DHGB	
Cl[C@H]1CC[C@@H](Cl)[C@@H]2CC[C@H]3[C@H](Cl)CC[C@H]1[S@@+]23	5179530	HLAFGOGRNLAIKM-IJTBVUCESA-N	300.702	3.914	50	40	DHGB	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	40139980	CWCMYBSOMUTCKB-UKTHLTGXSA-N	310.309	3.987	50	40	DHGB	
COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3[C@@H](OO)C[C@H]21	104038211	XPAMSYAPKVCVJF-BURFUSLBSA-N	304.386	3.858	50	40	DHGB	
Cc1ccc2c(c1)N[P@@](=O)(N(CCCl)CCCl)N2	104392809	BUMZOEKUDCJSNI-GOSISDBHSA-N	308.149	3.720	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2F)cc1	409120652	VCONDDPIGHWOBB-MDBUFAAASA-N	316.401	3.765	50	40	DHGB	
Nc1nc(-c2ccc(Br)cc2)c(N=C=S)s1	521251	XNBFZAAERHWYNK-UHFFFAOYSA-N	312.217	3.889	50	40	DHGB	
Cc1cccc(C)c1NC(=O)[C@H](Cl)C(=O)c1ccccc1	3267326	FPMBWSWPBUTVSU-CQSZACIVSA-N	301.773	3.732	50	40	DHGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C/C=C/c2ccccc2)cc1	5174337	MGSQKWAXSVOLCT-GPCOKJSSSA-N	308.381	3.578	50	40	DHGB	
O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(F)cc1	8577589	QGQWDKNUYHKGDD-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
CC(C)COc1ccc(C=C(C#N)C#N)cc1Br	408600511	CGAHUCNZUHACCR-UHFFFAOYSA-N	305.175	3.914	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(C)c1O	6202670	HBLYREGISHLFIW-CIAFOILYSA-N	318.376	3.926	50	40	DHGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(C(=O)O)cc3)[nH]c2cc1C	51102932	ILWFQIXVTHHIDU-DHDCSXOGSA-N	317.348	3.942	50	40	DHGB	
O=C1OC(=O)c2ccc(Sc3ccccn3)c3cccc1c23	104160410	RTJKBNZKZQSSGE-UHFFFAOYSA-N	307.330	3.697	50	40	DHGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	408815429	WTNARCSUNFNUTI-LQELWAHVSA-N	312.344	3.907	50	40	DHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1	566399	PHCVZQPQGTUTIT-CIAFOILYSA-N	324.424	3.956	50	40	DHGB	
CC(C)(C)OOC(C)(C)C#CCOc1ccc([N+](=O)[O-])cc1	2285902	GNTBVAWHCCOBBN-UHFFFAOYSA-N	307.346	3.502	50	40	DHGB	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	40139965	BOCYHPVYSMNBOH-FMIVXFBMSA-N	310.309	3.987	50	40	DHGB	
Cc1ccc(OCC(=O)NN=C2CCCCCCC2)cc1C	408949533	FQDAUGATUFODCS-UHFFFAOYSA-N	302.418	3.899	50	40	DHGB	
S=C=NCc1cc(Br)cc(Br)c1	1776010874	GHWGTHQOAHGNRZ-UHFFFAOYSA-N	307.010	3.814	50	40	DHGB	
CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1	382976	SVFZYTFTNGGFBF-UHFFFAOYSA-N	311.385	3.664	50	40	DHGB	
CCCCC(O)(CCCC)C(=O)NNc1ccc(C)cc1C	2228547	XTYXUHUJQCBBCF-UHFFFAOYSA-N	306.450	3.858	50	40	DHGB	
CCCCc1sc(/C=C(/C#N)C(=O)OC(C)C)cc1[N+](=O)[O-]	2729038	VFXHHRCPDZHSHE-XFFZJAGNSA-N	322.386	3.857	50	40	DHGB	
C=CCc1cccc(/C=N/NC(=O)c2ccccc2Cl)c1O	253879	BKZBISQWQAQRNW-YBFXNURJSA-N	314.772	3.538	50	40	DHGB	
CCCOc1ccc([C@@H](C)NC(=O)CCl)cc1OCCC	3407816	IMXMBMCNUQNDSG-GFCCVEGCSA-N	313.825	3.680	50	40	DHGB	
Cl[C@H]1CC[C@H](Cl)[C@H]2CC[C@@H](Cl)[C@@H]3CC[C@H]1[S@@+]32	5179531	HLAFGOGRNLAIKM-ULZWMMNLSA-N	300.702	3.914	50	40	DHGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3cnn(C)c3)n2)cc1	14157750	BKMISEDWAWRISL-VIZOYTHASA-N	306.394	3.916	50	40	DHGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N	70665423	JYCSLUASXDFIEL-XGXHKTLJSA-N	313.441	3.773	50	40	DHGB	biogenic
CCOC(=O)c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1	95921798	JUUWPNNQHSDXGV-HNNXBMFYSA-N	317.772	3.782	50	40	DHGB	
C=CCOC(=O)C1=C(C)SC(S)=C(C#N)[C@@H]1c1cc[nH]c1	103401647	MNRYXLPHTQTVRX-ZDUSSCGKSA-N	318.423	3.513	50	40	DHGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccccc1	409359986	CUBUCBZBWRYBAE-ZSOIEALJSA-N	310.309	3.676	50	40	DHGB	
COC(=O)c1ccccc1C(=O)CCCCCBr	575362316	GAJGNJGJMCJAMQ-UHFFFAOYSA-N	313.191	3.611	50	40	DHGB	
CCNc1ccc(C(=O)N/N=C(\C)CCC(C)C)cc1[N+](=O)[O-]	4868769	UMVKOYWFQFQZLY-LDADJPATSA-N	320.393	3.569	50	40	DHGB	
BrCCc1c[nH]c2c(Br)cccc12	199565242	BJOQFJKVKFCEEE-UHFFFAOYSA-N	302.997	3.868	50	40	DHGB	
N#C/C(=C\C=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1	290403	NCBUBVAEPBALGP-NIDLAPIMSA-N	306.281	3.684	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	1625112	LFCATDBSLUCQDB-UKTHLTGXSA-N	310.246	3.725	50	40	DHGB	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc(C#N)c3)n2)cc1	21957861	JVZNHTYMXXPLOI-LICLKQGHSA-N	312.332	3.981	50	40	DHGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)C(C#N)=C(O)O2	33743092	LLZIPIDMCVIHFO-MRXNPFEDSA-N	319.320	3.591	50	40	DHGB	
N#C[C@H](c1nc(-c2ccc(Cl)cc2)cs1)[C@@H](O)CCl	35686406	BHEGMXJKNPRLHI-JQWIXIFHSA-N	313.209	3.670	50	40	DHGB	
COc1ccc(/C(C#N)=C2\C=C/C(=N/O)C(C)=C2Cl)cc1	17381084	XABHEHXHSDMSFU-MYCMRBOKSA-N	300.745	3.885	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(N)c1	45992	FETPFGSROHWUKK-DJKKODMXSA-N	322.195	3.730	50	40	DHGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1	372778	XFLXVNDHSMKWLM-UHFFFAOYSA-N	316.401	3.737	50	40	DHGB	
CC(C)O[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1614625	INEFZEDHTXJDLK-TVQRCGJNSA-N	301.180	3.665	50	40	DHGB	
ClCCN(Cc1ccccc1)C[C@@H]1COc2ccccc2O1	4768977	CQXIYKTWKLLKKG-MRXNPFEDSA-N	317.816	3.567	50	40	DHGB	
OB(O)c1c(-c2ccccc2)cc(-c2ccccc2)c2ccccc12	169976406	FDINBWNHOSNCRQ-UHFFFAOYSA-N	324.188	3.854	50	40	DHGB	
Cc1ccc(/C(N=C=S)=N\Cc2ccc([N+](=O)[O-])cc2)cc1	3865416	SIQRPEPTCBCTHQ-WUKNDPDISA-N	311.366	3.953	50	40	DHGB	
C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(O)cc1	19841402	DBJQITZPQAVHJF-WOJGMQOQSA-N	310.378	3.761	50	40	DHGB	
CCOC(=O)N/N=C\c1ccc2c(c1)c1ccccc1n2CC	31771613	KGLZVEMNPYKKNZ-UNOMPAQXSA-N	309.369	3.894	50	40	DHGB	
CCCCC(/C=N\NC(=O)c1ccc[n+](C)c1)=C/c1ccccc1	31949331	SXSNMMYXMMASRO-DFCWUNANSA-O	322.432	3.501	50	40	DHGB	
Cc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)c(C)c1	44167409	OHSVHWANVCSYJQ-UHFFFAOYSA-N	324.405	3.902	50	40	DHGB	
Cc1cc(C)cc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)c1	44842190	OMSCPXNPGLBRBN-SFQUDFHCSA-N	312.394	3.554	50	40	DHGB	
O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	409057424	PVHNHEALUNUGEF-TYMSIUDLSA-N	302.736	3.643	50	40	DHGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc2ccccc2c1O	258300	LIFLXTOZSWYXRM-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
O=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CCC1	3269822	ZNUMEGMAPTZEAA-NTCAYCPXSA-N	317.816	3.693	50	40	DHGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccccc1Br	5159612	KGGRJQOPEKLFNL-OIRDJALBSA-N	309.207	3.745	50	40	DHGB	
CC(/C=N/NC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1	5725142	HZGCAELCWCWMJJ-CONBCKQJSA-N	303.365	3.987	50	40	DHGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(N)=S)cc2)c1	33412206	XHRJMDOMVQXGID-MHWRWJLKSA-N	308.406	3.767	50	40	DHGB	
O=C(CCSc1ccccc1)N/N=C/c1cccc(Cl)c1	59473652	QJECANDCZPPPRI-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
Br[C@H]1CC[C@H]2S[C@H]1CC[C@@H]2Br	104208033	FEIYJFZEHGKDEN-DKXJUACHSA-N	300.059	3.571	50	40	DHGB	
Cc1cc(C)c(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C	28033	BZQVABXUJCWXSI-SFHVURJKSA-N	322.408	3.735	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CCl	101674706	YVONUKQVFGVOMZ-SJORKVTESA-N	322.880	3.563	50	40	DHGB	
CSC(SC)=C(C#N)c1nc(-c2cccc(C)c2)no1	225523661	NIDUCEXAQHFGBQ-UHFFFAOYSA-N	303.412	3.963	50	40	DHGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1	408580595	CWPYBUOEERLPHM-SFQUDFHCSA-N	319.360	3.780	50	40	DHGB	
C/C(=N\NC(=O)CSc1ccccc1)c1ccc(Cl)cc1	408768235	VINJNLLAQNBQKP-LDADJPATSA-N	318.829	3.973	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	333647	VFPPXAVWDBSXAK-AWEZNQCLSA-N	323.179	3.664	50	40	DHGB	
CC[C@@H](C)c1ccccc1N(C(=O)CCl)C(=O)CCl	3289253	MLIGJEYSWPUPQC-SNVBAGLBSA-N	302.201	3.537	50	40	DHGB	
CC(C)n1cc(/C=N\NC(=O)c2ccccc2)c2ccccc21	4678164	COSLREUBQMOELP-NDENLUEZSA-N	305.381	3.986	50	40	DHGB	
N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1cccnc1	6392306	JLVMETJIXAAUJT-UHFFFAOYSA-N	310.357	3.825	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc2ccccc2c1	12551367	SUOZINILCYZYNC-DEDYPNTBSA-N	304.349	3.699	50	40	DHGB	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)NC1CCCC1	255028826	QLZLPPFOPGLDPH-QINSGFPZSA-N	306.365	3.912	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1	408783399	KZLCEZHNSAGJNQ-UZUMKDMXSA-N	312.438	3.767	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc2ccc(C)cc2nc1Cl	422523	PKDLTYMXGRAXEU-MDWZMJQESA-N	300.745	3.667	50	40	DHGB	
O=C(CCl)Nc1ccc(Oc2cnc3ccccc3n2)cc1	1384813	IDDWMUSDKXSVDY-UHFFFAOYSA-N	313.744	3.599	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	498351	NQPZJMLXJWLLRI-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	512108	WIXCBSGZWVOBRO-VXLYETTFSA-N	321.207	3.995	50	40	DHGB	
CCCCOc1ccc(CCC(=O)N/N=C/c2ccco2)cc1	2375299	ZSAYETVJGXTJPH-XMHGGMMESA-N	314.385	3.541	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C	223229334	ARUUGKHUUSUMFR-YOEHRIQHSA-N	317.477	3.636	50	40	DHGB	
CCCCCc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1	5792659	IYDOJIBLSWBRHI-UHFFFAOYSA-N	306.406	3.589	50	40	DHGB	
CCOC(=O)/C(C#N)=C/Nc1cc(C(F)(F)F)ccc1Cl	102920792	UPEJGPONZGKSEQ-BQYQJAHWSA-N	318.682	3.741	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2ccccc2n1	303393	QHKKHFMCKUQCOT-YBFXNURJSA-N	309.756	3.652	50	40	DHGB	
Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccc(F)cc1	368198	ZXSNMNABNQKNGH-RGVLZGJSSA-N	315.392	3.729	50	40	DHGB	
Cc1ccc(CN2C(=O)C(=C(C#N)C#N)c3ccccc32)c(C)c1	1320710	CDMYKFZYKYIHGQ-UHFFFAOYSA-N	313.360	3.651	50	40	DHGB	
CC(C)(C)C1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	2762442	DAUJMSUCAKWPKR-UHFFFAOYSA-N	317.433	3.692	50	40	DHGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]2(Br)CBr	3845480	WQNULSXJEQQGSF-ONOSFVFSSA-N	324.056	3.540	50	40	DHGB	biogenic
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C)s1	20195540	BQGYGYNALNYJKG-NBVRZTHBSA-N	300.427	3.756	50	40	DHGB	
Cc1ccc(/C=C(/C#N)c2nc(O)c3cc(Cl)ccc3n2)o1	33471712	ZCLOVEMZKAAYHY-POHAHGRESA-N	311.728	3.954	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(O)cc1	33651782	OFGWBIAWFYQKJD-RAXLEYEMSA-N	317.348	3.728	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c1	28273590	XJIDKFKSIHMILB-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc2ccccc2n1	222425	PKTSGBSXBIRPOA-YBFXNURJSA-N	309.756	3.652	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1	4950500	SXJYDTWWOPGZFP-NHQKWYAISA-N	322.364	3.957	50	40	DHGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1	12492761	FYHQAMZWTVVSOC-KGENOOAVSA-N	318.376	3.628	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1	67189582	ZETIWHNWNJTZOS-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccccc1	408960467	LYTDSNNSYUJANE-ZHZULCJRSA-N	322.412	3.751	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1C[C@@H]1c1ccccc1	2746667	DXIHXYNLXYYGRG-CAVOBDPNSA-N	316.763	3.733	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)c(OC)c1	3899800	PPZIATBCGZIPFZ-GXDHUFHOSA-N	319.364	3.655	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(C)c(C)c1	7009642	INCRQBIEJDQXAB-LTGZKZEYSA-N	309.413	3.564	50	40	DHGB	
Cc1cc(C(=O)N/N=C(/c2ccccc2)C(F)(F)F)cs1	17032422	CKAPPQPLAFMMRR-PDGQHHTCSA-N	312.316	3.753	50	40	DHGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccccc1Cl	33795541	SIBWDURRJAQUGM-AWEZNQCLSA-N	319.744	3.584	50	40	DHGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C	77358235	UYZURRGJARZOQG-BOPFTXTBSA-N	307.397	3.979	50	40	DHGB	
O=C(CBr)c1cc2ccc(Br)cc2o1	199751966	QWJFRJJRWCZRFP-UHFFFAOYSA-N	317.964	3.773	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1c(F)cccc1Cl	228979399	VOSZTVDMADZGTM-UHFFFAOYSA-N	320.220	3.996	50	40	DHGB	
CCOC(=O)c1c(Br)cccc1CBr	238297445	JJRKRXBKESKMAZ-UHFFFAOYSA-N	321.996	3.521	50	40	DHGB	in-vitro
CCC1(CC)COP(=O)(OC[C@H](Cl)CCl)OC1	5523276	QGGNIUGKOIONEO-SECBINFHSA-N	305.138	3.811	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1C	194518476	LYWWKANDVJVOHM-CLXYIWAZSA-N	320.392	3.788	50	40	DHGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(=O)Cc1ccccc1	408600523	CKTWEBFJOXEIDY-AUQXIXNCSA-N	310.397	3.557	50	40	DHGB	
Cc1ccn2c(C(=O)NN=C3CCCCCCC3)c(C)nc2c1	296469	URBJLDIMYRVKRB-UHFFFAOYSA-N	312.417	3.781	50	40	DHGB	
O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)Nc1ccccc1	6241117	COHHRAOSQJTWCH-CAOOACKPSA-N	324.167	3.855	50	40	DHGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])[nH]c2c1	33709289	WLYFJTXUVMHNHY-LCYFTJDESA-N	304.309	3.844	50	40	DHGB	
O=C=Nc1ccc(OC(F)(F)C(Cl)(Cl)Cl)cc1	91252293	OPTWCPLDVRUJLT-UHFFFAOYSA-N	302.491	3.996	50	40	DHGB	
CCN(NC(=O)c1ccc(-c2cnco2)cc1)c1ccc(C)cc1	54148258	JNUKXCXHNNEHJU-UHFFFAOYSA-N	321.380	3.821	50	40	DHGB	
CCCC[C@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1	72220096	DEGFACQTMHPRMY-VIFPVBQESA-N	317.227	3.864	50	40	DHGB	
COc1ccc(-c2nc3cc(C(=O)Cl)ccc3o2)cc1OC	218719344	RSADNMIUNBRQIV-UHFFFAOYSA-N	317.728	3.891	50	40	DHGB	
CCC[C@@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C	260622242	SBLZMHQYUWUVOU-ZBFHGGJFSA-N	317.477	3.554	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)c1	408807621	DNMPABYHTPTWHQ-GXDHUFHOSA-N	310.328	3.688	50	40	DHGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1-n1cccc1	6367692	CBHYWOVFYOKYLA-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCCC1	6936485	CLOFWROMHYLPPD-DTQAZKPQSA-N	312.413	3.831	50	40	DHGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)o1	408718625	LGHHAQZUZHICMM-UDWIEESQSA-N	322.364	3.904	50	40	DHGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc(F)cc3)sc2c1	251187	BPSPJRPCTOZXNG-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/C=C/c1ccco1	4499580	VEEKYOXXFJFUGH-UFOVCRMQSA-N	322.286	3.656	50	40	DHGB	
CC(/C=N/NC(=O)CNc1cccc(C)c1)=C\c1ccccc1	4562414	LZAAHFWHHFHYJF-MUIFUQOHSA-N	307.397	3.612	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	5129544	NLNMVZBTIHRDSC-SDNWHVSQSA-N	310.328	3.770	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C/C=C/c2ccccc2)c1	19898253	OODHICIXKCKGIQ-LWLRAGKISA-N	308.381	3.578	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)c1	408812272	MNSGWLPWBVDDGB-IFHBQSJKSA-N	312.413	3.606	50	40	DHGB	
O=C(Cl)c1ccc(C(F)(F)Br)nc1Cl	1848350339	TXBUQMXDRBNVKA-UHFFFAOYSA-N	304.905	3.558	50	40	DHGB	
CCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl	1673017	HYUAGSPNTMGCMN-KOLCDFICSA-N	318.672	3.583	50	40	DHGB	
CCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl	1673018	HYUAGSPNTMGCMN-GXSJLCMTSA-N	318.672	3.583	50	40	DHGB	
O=C(CCCCCl)Nc1c2c(nc3c1CCC3)CCCC2	5005053	UBZLHTPJDBPAGD-UHFFFAOYSA-N	306.837	3.797	50	40	DHGB	biogenic
C/C(=N/NC(=O)c1ccc(N)cc1)c1cccc2ccccc12	5260585	IWZIBWBROAGNTM-BKUYFWCQSA-N	303.365	3.576	50	40	DHGB	
COc1cc2c(cc1/C=C(\C#N)c1nc(C)cs1)O[C@H](C)C2	14161734	RDHAFZCDSPHDJB-LHDJSAJTSA-N	312.394	3.848	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(SC)cc2)c1	16409832	DBDLSIGTBCXRJF-GXDHUFHOSA-N	324.405	3.963	50	40	DHGB	
CC(=O)Oc1ccccc1C(=O)Oc1ccc(CCl)cc1	65733939	HPVHLAMKCLTACJ-UHFFFAOYSA-N	304.729	3.570	50	40	DHGB	in-vitro
Cc1c(C(=O)NNC(=O)OC(C)(C)C)sc2cccc(F)c12	71016991	XOFDHNYAOBNAEP-UHFFFAOYSA-N	324.377	3.518	50	40	DHGB	
O=[P@@]1(N(CCCl)CCCl)Nc2ccccc2CO1	104186947	FHVAFBICUPKYQB-SFHVURJKSA-N	309.133	3.516	50	40	DHGB	
CC(C)O[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1614626	INEFZEDHTXJDLK-ZANVPECISA-N	301.180	3.665	50	40	DHGB	
CC[C@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1	32919721	UDGPSPXXHPNTOJ-VIFPVBQESA-N	310.113	3.817	50	40	DHGB	
FC(F)(F)c1cccc(CCI)c1	140045015	SLCGTIAFUDSGME-UHFFFAOYSA-N	300.061	3.683	50	40	DHGB	
O=C(Cl)[C@H](N[C@@H](C(=O)Cl)c1ccccc1)c1ccccc1	228945988	YXIVQOJLTVTNOC-ZIAGYGMSSA-N	322.191	3.589	50	40	DHGB	
C[C@@H]1C[C@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@@H]1CC[C@@H]2C1	105305143	SVRPOTXJQJBPHV-VFJZFSOJSA-N	312.413	3.570	50	40	DHGB	
C[C@H]1CCCN(CCSSCCN2CCC[C@H](C)C2)C1	1744180	AWPSNQBJGSLFHX-HOTGVXAUSA-N	316.580	3.832	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OC(F)F	5068293	LMOFVWCFVUBRJM-XYOKQWHBSA-N	302.280	3.756	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1	15219911	GDDWLDQQSGUMID-ATVHPVEESA-N	319.408	3.915	50	40	DHGB	
Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)CCCl)c1	89669334	JHXPBOSWAKWQNJ-OAHLLOKOSA-N	316.788	3.895	50	40	DHGB	
O=C(N/N=C/c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	493556	DBQXTTJZHQAIQK-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(C)cc1Cl	4815558	OMWHXFMDDLIVSR-YBFXNURJSA-N	316.788	3.811	50	40	DHGB	
Cc1cn2c(/C=C(\C#N)C(=O)c3ccsc3)c(C)nc2s1	44027945	WGTZEJPOWHWGQF-LFYBBSHMSA-N	313.407	3.864	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	3617447	SHPIKOZOUOZUIZ-NTCAYCPXSA-N	322.364	3.640	50	40	DHGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccccn2)cc1OC	7155359	MHHJNGOWECQHKA-NTEUORMPSA-N	324.767	3.820	50	40	DHGB	
CCCCCCCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	102399488	GYCGTFBMHFYBRK-LGMDPLHJSA-N	305.378	3.796	50	40	DHGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408813536	NLIVSNOQVWQKBL-NTCAYCPXSA-N	322.364	3.727	50	40	DHGB	
CC(C)c1csc(/C(C#N)=C\c2cc(O)ccc2[N+](=O)[O-])n1	584908187	LSHPSWTYLGBCIS-WZUFQYTHSA-N	315.354	3.944	50	40	DHGB	
Cc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@H]2Cl)cc1	339624	GIMUPIFMIXPQMS-HZPDHXFCSA-N	306.814	3.674	50	40	DHGB	
N#C/C(=C/c1ccc(Br)o1)c1nc2ccccc2[nH]1	4891958	MGBZFVQTFRXSPI-CLFYSBASSA-N	314.142	3.983	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)[C@H]1C[C@H]1c1ccccc1	5947695	DXIHXYNLXYYGRG-RLXLQZHTSA-N	316.763	3.733	50	40	DHGB	
N#C/C(=C/Nc1ccc(C#N)cc1)C(=O)Nc1cccc(Cl)c1	57414137	LEAXTJWOCYZXNS-QBFSEMIESA-N	322.755	3.670	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)N1C[C@@H]1c1ccccc1	100498448	XDWLAYKJCVTLGJ-VQCQRNETSA-N	319.344	3.972	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)cc1	212120564	LXZXYGKVKOLNDH-GDNBJRDFSA-N	321.336	3.703	50	40	DHGB	
CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccco3)cc2C1	8525821	VVCCZHHUIOBGAD-MUOOZZNISA-N	302.399	3.620	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)cc1Cl	41157780	WGIPLWGZASBQRS-LCYFTJDESA-N	312.756	3.785	50	40	DHGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1C	194518168	IJWJFWPIBHIXFA-NTEUORMPSA-N	310.328	3.688	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2C)OCO3)cc1	408987076	VLOKAQYYILWKMC-OVCLIPMQSA-N	320.348	3.578	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)/C=C/c1ccc(Cl)cc1	409053751	HOQWBLNUXCJXKT-GGNBMFIYSA-N	314.772	3.512	50	40	DHGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(O)cc1	3145182	DEKUYCSUYJDYJI-UHFFFAOYSA-N	314.344	3.555	50	40	DHGB	
C[C@H]1C=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2CC1	4631759	DQKXXGBSBSJOGU-SIIHOXLZSA-N	314.392	3.526	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(F)c1F)c1ccccc1	78560571	WCXXEZORBZYORB-DYTQJMLRSA-N	312.319	3.749	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1cccc(C)c1C	33753101	VAIHGSBZOAQXQM-JOOIDHKUSA-N	322.408	3.888	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)COc2cc(C)cc(C)c2)cc1	345403	XKKSTXLKFVYCMX-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1	6950041	GWFFVNJRJJGSEM-GYZOOYGHSA-N	320.392	3.870	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1C1CC1	17577869	JGWVZLUMCOAQKO-WOJGMQOQSA-N	319.408	3.663	50	40	DHGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(N)=S)c1	408541783	DTRIJKMHKHCHIP-MHWRWJLKSA-N	308.406	3.767	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	241196	SBGUXOKHVQUQML-NTCAYCPXSA-N	322.364	3.640	50	40	DHGB	
Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)o1	228310	ZYDUXIFJSVRYAO-REZTVBANSA-N	311.168	3.967	50	40	DHGB	
CCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl	1673019	HYUAGSPNTMGCMN-ONGXEEELSA-N	318.672	3.583	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)c(C)c1	3236956	WZSGQSMMLZDMJJ-KEBDBYFISA-N	318.323	3.669	50	40	DHGB	
C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(F)cc1	8515605	GQWZCNVQFMOOQD-CPNJWEJPSA-N	316.401	3.767	50	40	DHGB	
COc1ccc(NC(=O)CO/C=C(\C#N)c2ccccc2C)cc1	72333712	VDJHACVDYRXRFE-NTCAYCPXSA-N	322.364	3.523	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccs1	100585198	BZUPRSLLCWTNSZ-SDQBBNPISA-N	304.378	3.757	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2)c1	408746080	QQTCLAYBSMMQJZ-GDNBJRDFSA-N	322.364	3.640	50	40	DHGB	
O=C(Cc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1	6153348	ABJNXPMQKGUCPD-UHFFFAOYSA-N	307.305	3.896	50	40	DHGB	in-vitro
O=C(NNc1cccc(Cl)c1)c1ccc2ncsc2c1	30610897	AWRAOWFVXBWDMW-UHFFFAOYSA-N	303.774	3.707	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\C=C\c2ccccc2)cc1	12954893	RNAXYUYWYNEOJE-WCTLISOUSA-N	309.390	3.890	50	40	DHGB	
CN1/C(=C(\C#N)C(=O)[C@@H](Cl)c2ccccc2)Nc2ccccc21	15910738	PZEZHWOLRQLAOJ-HZGBGQKMSA-N	323.783	3.833	50	40	DHGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1	59333756	WEHGYMSLBUJKNO-PDGQHHTCSA-N	321.424	3.652	50	40	DHGB	
Cc1ccc2sc(NNC(=O)c3ccccc3F)nc2c1C	4121436	XBICYVPGVJQULI-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(O)c1	408889906	KSCXGROTXIPLFH-OQLLNIDSSA-N	322.364	3.563	50	40	DHGB	
CCCCCCCC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1	8398266	UJBNQBDXMWOVRJ-XMHGGMMESA-N	320.433	3.905	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1)c1n[nH]c(=O)c2ccccc12	14356887	MEGARLQPBAEZEK-FMIVXFBMSA-N	307.740	3.641	50	40	DHGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1	17052355	WSNNXTMIAGHGCV-DHZHZOJOSA-N	313.338	3.510	50	40	DHGB	
CCCC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C	260612748	ARUUGKHUUSUMFR-PBHICJAKSA-N	317.477	3.636	50	40	DHGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)n1	408978067	KMAUBLPXHJRPFP-NTEUORMPSA-N	304.353	3.537	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	409115862	HWMDEQOUSXKUOS-IYSPOMMRSA-N	312.438	3.934	50	40	DHGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1ccncc1	3909545	VALLEDNKPWKLHJ-UHFFFAOYSA-N	314.348	3.540	50	40	DHGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(F)cc2s1	20132286	DIHXJNCXOQANEB-ZETCQYMHSA-N	317.183	3.547	50	40	DHGB	
COc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1	100812859	CVMQZUFREFUKOC-GHRIWEEISA-N	308.362	3.831	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccsc1	101464766	WACVNBUHBQXUSI-XGICHPGQSA-N	304.378	3.757	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccccc1O	102544261	AZRHXRDFMYUUPF-WOJGMQOQSA-N	302.761	3.508	50	40	DHGB	
CC[C@@]1(CBr)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Br	104134248	NKQQZBRYEZCKIP-YJFSRANCSA-N	324.056	3.540	50	40	DHGB	
Clc1cccc(C2=NO[C@H](CBr)C2)c1Cl	217843802	FGBVNSRSKVKUJJ-LURJTMIESA-N	308.990	3.881	50	40	DHGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1	409096666	KVKKPGPGTNSYQO-VXLYETTFSA-N	320.751	3.642	50	40	DHGB	
O=C(CCc1ccccc1)N/N=C/c1cccc2ccccc12	65032	BDIOHCDUSKXFBD-RCCKNPSSSA-N	302.377	3.923	50	40	DHGB	
CC(C)(C)c1cc(/C=N/NC(=O)C2CC2)cc(C(C)(C)C)c1O	3576557	LBRNHBOWEVDOKI-RGVLZGJSSA-N	316.445	3.847	50	40	DHGB	
C/C(CC(C)C)=N\NC(=O)CCC(=O)Nc1ccccc1Cl	4699640	SSSCYSJVTGIENB-XDHOZWIPSA-N	323.824	3.597	50	40	DHGB	
C[C@H]1CCC2=C(C#N)C(=C(C#N)C#N)NC(c3ccccc3)=C2C1	170622689	CSHPIHPMDYXNBA-ZDUSSCGKSA-N	312.376	3.942	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Cl	172690993	YIQDDNFWLBHLDF-UKTHLTGXSA-N	318.804	3.704	50	40	DHGB	
O=C(N/N=C\c1ccccc1F)c1cc2cc(Cl)ccc2o1	409021459	IYNOSBYYOCFZBZ-OCKHKDLRSA-N	316.719	3.989	50	40	DHGB	
Cc1ccc(/C=N/N(CCC#N)C(=O)c2ccc(C)cc2)cc1	12111577	LTBAQBRPUUPKQT-KGENOOAVSA-N	305.381	3.693	50	40	DHGB	
COC(=O)[C@@]1(C)CCC[C@]2(C)c3ccccc3[C@@H](OO)C[C@@H]12	104038219	XPAMSYAPKVCVJF-IDCNUPLLSA-N	304.386	3.858	50	40	DHGB	
CCC[C@H](C(=O)NN)N1c2cc(C)c(C)cc2[C@H](C)CC1(C)C	260622236	SBLZMHQYUWUVOU-GDBMZVCRSA-N	317.477	3.554	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	547434	NFKRXWIFCJYOAQ-AWEZNQCLSA-N	313.788	3.971	50	40	DHGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	4065251	JQFHUFMBHXPJMZ-KGENOOAVSA-N	317.392	3.670	50	40	DHGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1	4746728	VAYBFVDEBPHLGA-LPYMAVHISA-N	323.440	3.855	50	40	DHGB	
CN(C)C(=O)/C(C#N)=C\c1c2ccccc2cc2ccccc12	408859021	VCTRAINUXXGHRX-VBKFSLOCSA-N	300.361	3.988	50	40	DHGB	
CC(/C=N/NC(=O)Cn1nccc1C)=C\c1ccc(C(C)C)cc1	533289	YYZNCNDYTLKJTQ-KFURHSOJSA-N	324.428	3.520	50	40	DHGB	
CC(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1	59378693	KKGOLHLPSDGNFA-XDHOZWIPSA-N	316.788	3.779	50	40	DHGB	
CCC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	4577757	IUCCJLGRRWREOO-FBMGVBCBSA-N	311.341	3.529	50	40	DHGB	
Cc1cccc(NCC(=O)N/N=C\c2ccc(C(C)C)cc2)c1	33303216	BYMWKEXOYMWMKE-MTJSOVHGSA-N	309.413	3.681	50	40	DHGB	
CCCCCC[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	2474154	FGJJKXBYFPUSOD-LBPRGKRZSA-N	324.380	3.933	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2cccc(F)c2)cc1	409134514	RWOUIOKTFMNMNK-XDHOZWIPSA-N	316.401	3.767	50	40	DHGB	
COc1cc(N2CCOCC2)ccc1/C=C(\C#N)c1ccccc1	409245181	OPKIRSQNSKZIPB-QGOAFFKASA-N	320.392	3.596	50	40	DHGB	
O=C(CCl)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	12504813	XQHYCOJRNAZHKE-UHFFFAOYSA-N	323.179	3.770	50	40	DHGB	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)NC1CC1	17473406	FLQTZLQFAKXTJK-VQHVLOKHSA-N	302.786	3.740	50	40	DHGB	
CC1(C)C[C@H](NC(=O)CCCC[C@@H]2CCSS2)CCO1	79192164	VWBZWPFGWMHFHJ-CHWSQXEVSA-N	317.520	3.774	50	40	DHGB	biogenic
O=C(Cc1ccc(Cl)cc1)N/N=C1\CCCc2ccccc21	100116229	NMJCTCNFDMGVHP-LVZFUZTISA-N	312.800	3.739	50	40	DHGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2cc#cc3ccccc23)cc1	409055184	DFQJENKHAXEUIZ-NHRABQJNSA-N	312.372	3.912	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	241207	JJKISYNKAOKKIO-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]2(Br)CBr	13404201	WQNULSXJEQQGSF-AVPPRXQKSA-N	324.056	3.540	50	40	DHGB	biogenic
Cc1cccc(O[C@@H](C)C(=O)NN=C/C=C/c2ccccc2)c1	245241783	OODHICIXKCKGIQ-AGIQTBHISA-N	308.381	3.578	50	40	DHGB	
COc1c(F)cccc1C(=O)CCCCCBr	575358796	FBFWOJKWOZPNTJ-UHFFFAOYSA-N	303.171	3.972	50	40	DHGB	
Nc1nc(CCl)nc(N(c2ccccc2)c2ccccc2)n1	528456	MYVHEXLYWFMBCL-UHFFFAOYSA-N	311.776	3.662	50	40	DHGB	
CCOc1ccc(/C(C)=N\NC(=O)c2cc3ccccc3o2)cc1	4955861	LWIAKBGDWGPLEQ-MOSHPQCFSA-N	322.364	3.986	50	40	DHGB	
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N	70665420	JYCSLUASXDFIEL-MUJBESKKSA-N	313.441	3.773	50	40	DHGB	biogenic
CCc1ccc(C(=O)N/N=C/c2cccc3ccccc23)nc1	353069	NODYBFNMFOEFDD-FYJGNVAPSA-N	303.365	3.561	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)c1	4471914	AEIAPHQCXXLVGV-PTNGSMBKSA-N	322.364	3.640	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])C1	12403690	OEDXRDCKAVHCBS-MIKWNVPKSA-N	313.357	3.613	50	40	DHGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1O	408599598	XEJMLOCHRCNXFS-XYOKQWHBSA-N	323.377	3.934	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1	409368877	QTSAYWLJPLHMGT-GFCCVEGCSA-N	323.318	3.883	50	40	DHGB	
Cc1c(Br)cc(C(=O)Cl)cc1Br	30714936	COYJKQBJEGGZSD-UHFFFAOYSA-N	312.388	3.899	50	40	DHGB	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c(C)c1	44028766	PXGYNIPFFLGZTL-PXNMLYILSA-N	305.333	3.822	50	40	DHGB	
CC(C)(C)OC(=O)N1CCC[C@H](CCCBr)C1	91297541	UMRCMCAKFKYCQF-NSHDSACASA-N	306.244	3.809	50	40	DHGB	
COc1cc(C)c(/C=N\NC(=O)Cc2ccccc2)cc1C(C)C	408854657	ATJSGWWIJNISEC-BKUYFWCQSA-N	324.424	3.820	50	40	DHGB	
CC(C)O[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1614623	INEFZEDHTXJDLK-NOZJJQNGSA-N	301.180	3.665	50	40	DHGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1	3180510	OQLHNSXMIMFAOM-JLHYYAGUSA-N	320.339	3.644	50	40	DHGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1	9263406	KXXOZUYRZVMOIJ-GDNBJRDFSA-N	317.348	3.722	50	40	DHGB	
Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C	338133	IBUCDUYBJWBWGK-UHFFFAOYSA-N	307.802	3.773	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	6295360	NBVFSIBXCPWSFW-VBKFSLOCSA-N	304.305	3.671	50	40	DHGB	
N#CC(C(=O)Nc1ccc(Cl)cc1)=C1Nc2ccccc2N1	18009516	OXLRTNBSMKRXPQ-UHFFFAOYSA-N	310.744	3.551	50	40	DHGB	
CO[C@H](C(=O)N/N=C/c1ccc(C(C)C)cc1)c1ccccc1	1027802	AAHYYOJSTCLMHG-ACRNLXFHSA-N	310.397	3.648	50	40	DHGB	
O=C(NNc1ccccc1Br)Nc1ccc(F)cc1	14251203	YGAXIXCTUMJLGC-UHFFFAOYSA-N	324.153	3.737	50	40	DHGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])C1	100006866	OEDXRDCKAVHCBS-VLFBTDHHSA-N	313.357	3.613	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	224508	MZEOPFDNZNYJIZ-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)c(C)c1	369372	RNBFEORVUIHSTJ-HMMYKYKNSA-N	309.413	3.523	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(C(=O)O)cc3)nc2c1	6407988	ADLHYMHSYTUSQU-NTEUORMPSA-N	303.321	3.634	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccccc1	7930374	KDFHHLHZVRMNLP-KGENOOAVSA-N	317.392	3.858	50	40	DHGB	
CC(C)C(=NNC(=O)c1ccc(Br)cc1)C(C)C	4503695	VBXVOCMPNLYQSD-UHFFFAOYSA-N	311.223	3.847	50	40	DHGB	
Cc1ccc(C(=O)NN=C2CCCCCCC2)cc1[N+](=O)[O-]	6278626	ACBCCPJYFBQAJI-UHFFFAOYSA-N	303.362	3.733	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1O	33607614	KIDGYCVDSQUKOQ-ZROIWOOFSA-N	310.328	3.694	50	40	DHGB	
N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@@H]1c1ccco1	1403383	UDNZKURESDITJY-INIZCTEOSA-N	306.321	3.594	50	40	DHGB	
O=C(CCCCl)Nc1c2c(nn1-c1ccccc1)CSC2	4223298	QWWDJTBXTGTHMV-UHFFFAOYSA-N	321.833	3.577	50	40	DHGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	5770023	UMKLOSVMOXTTNX-UHFFFAOYSA-N	301.342	3.717	50	40	DHGB	
COc1ccc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc1OC	6794831	MIQQZWJWCQXTAS-NODXGKJPSA-N	318.417	3.636	50	40	DHGB	
CCOC(=O)COc1ccc(/C=C(/C#N)c2ccccc2)cc1	409359952	COVXNOYYLPQQLX-ATVHPVEESA-N	307.349	3.693	50	40	DHGB	
C/C(=N\NC(=O)c1ccccc1)c1cccc(Br)c1	326211	QHULYTURWMNHDF-GZTJUZNOSA-N	317.186	3.603	50	40	DHGB	
CCCCCC[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	2477895	RNXHADDNDXRCHU-LBPRGKRZSA-N	302.418	3.940	50	40	DHGB	
O=C(CCCCl)Nc1ncc(Cc2ccc(F)cc2)s1	4510735	KDZGJJPZHFOSGI-UHFFFAOYSA-N	312.797	3.831	50	40	DHGB	
CCOc1ccc(C(=O)NN=C2CCCCCC2)cc1OC	8518313	HJVKXUUTFXYRMB-UHFFFAOYSA-N	304.390	3.534	50	40	DHGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccc1Cl	369981	SMDSDOHPPLGRGJ-RGVLZGJSSA-N	311.772	3.975	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79415048	YVONUKQVFGVOMZ-DLBZAZTESA-N	322.880	3.563	50	40	DHGB	
COC(=O)c1ccc(C(=O)[C@@H](Cl)c2ccccc2)c(C)c1	575362554	XRKFZTSEHSWNNK-HNNXBMFYSA-N	302.757	3.944	50	40	DHGB	
O=C(Nc1ccc(F)cc1)[C@@H](Br)c1ccccc1	162868	XIBJOWVETFFJRN-ZDUSSCGKSA-N	308.150	3.900	50	40	DHGB	
O=C(N/N=C/c1ccco1)c1ccc(NCc2ccccc2)cc1	246096	HDQZZVYWLIQGOU-KGENOOAVSA-N	319.364	3.656	50	40	DHGB	
C=CCn1c(C)c(/C=N/NC(=O)c2cccs2)c2ccccc21	560672	WWGMSWLCEDADKA-XDHOZWIPSA-N	323.421	3.961	50	40	DHGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@]2(Br)CBr	3845481	WQNULSXJEQQGSF-SWPVVBRQSA-N	324.056	3.540	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccncc1	5894627	HXCMJKSRRRPFLA-PXLXIMEGSA-N	315.376	3.903	50	40	DHGB	
Cc1ccc(C)c(OCC(=O)N/N=C/C=C/c2ccccc2)c1C	12843991	DKJMLXHVONAUNI-FPQBULDBSA-N	322.408	3.806	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c(C)c1	15220065	VJFXNIJTOMFQJI-ATVHPVEESA-N	319.408	3.915	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1O	36089901	OGUACQLYIAFIGJ-JYRVWZFOSA-N	305.337	3.650	50	40	DHGB	
O=C1OC(=O)[C@@]23C(=CC=C4CC=CC=C42)SC2=CC=CCC2=C13	100046177	SYZIKJCLSNXJOW-LJQANCHMSA-N	320.369	3.654	50	40	DHGB	
Cc1ccc(C(=O)/C=C\N(CCCl)CCCl)c(C)c1	100304870	NQDNNSMAGQXAKA-YVMONPNESA-N	300.229	3.779	50	40	DHGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Br	252394287	FHVGJKHYXYNWHN-FOUSACFDSA-N	321.218	3.601	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2O)c1	408747094	ZJTHJLJCMXJXGE-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
CP(c1ccccc1)c1ccccc1P(C)c1ccccc1	2381424	FPIZGUWCFGIXQX-UHFFFAOYSA-N	322.328	3.812	50	40	DHGB	
COc1ccccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	5527543	MFCBQLMGAFXPCJ-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1	6819993	GNOVRKZOJMSHBG-DTQAZKPQSA-N	310.397	3.607	50	40	DHGB	
ICc1csc(-c2ccccc2)n1	39419268	LXFVAQGRFCZBQL-UHFFFAOYSA-N	301.152	3.745	50	40	DHGB	
N#C/C(=C/c1cccnc1)C(=O)Nc1cccc(Cl)c1Cl	59335864	MDAKFDOKJURHOC-XFFZJAGNSA-N	318.163	3.934	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/C=C/c1ccco1	409200585	IPKJRYXGHGWSPJ-COQIBVDLSA-N	320.801	3.841	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1	20197479	UHWQUFZVZDXRMX-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)C1	408730980	XIIRECQGBLZERW-FYJGNVAPSA-N	320.392	3.682	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(O)c1	408890534	VGUJUUXXBBXHRR-OQLLNIDSSA-N	322.364	3.563	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1	161730	RDTVIFVLMGZCHL-LJQANCHMSA-N	308.317	3.692	50	40	DHGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	59333662	BQYWJRAONYQIKA-XFXZXTDPSA-N	300.745	3.595	50	40	DHGB	
O=C(CCl)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	68583499	XDOHVAFWTGPZAS-HNNXBMFYSA-N	312.800	3.655	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1F	101429088	PZBAHHBCMZITOA-QPEQYQDCSA-N	316.339	3.834	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2F)cc1	210429563	IXSKJSLEESQLQV-KAMYIIQDSA-N	310.328	3.770	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(CC)cc2)cc1	409361181	AAVXXOWAVNRIDV-RCCKNPSSSA-N	324.424	3.731	50	40	DHGB	
N#C/C(=C1/C=C/C(=N\O)C(Br)=C1)c1ccccc1	5085419	TYXFBKRRSUTTPT-MUIYJVFTSA-N	301.143	3.643	50	40	DHGB	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CC=CCC1	8983979	FCWWKEQRASZNRB-LLVKDONJSA-N	301.777	3.688	50	40	DHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139599	RLXAINFBPFDNKG-ABFHGOLWSA-N	304.340	3.567	50	40	DHGB	
O=C(NCc1ccco1)NN=C1CCC(c2ccccc2)CC1	64912661	ITDFMNYTCNTWFT-UHFFFAOYSA-N	311.385	3.793	50	40	DHGB	
S=P(c1cccs1)(c1cccs1)c1cccs1	95748032	VJXPPEHCZFCFOB-UHFFFAOYSA-N	312.446	3.627	50	40	DHGB	
COc1ccc(NC(=O)N/N=C\c2ccc(Cl)s2)cc1	408968302	YCRZNSCPPLJENO-NVNXTCNLSA-N	309.778	3.566	50	40	DHGB	
N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117584	RWZUCGWZXBTDKN-IZZDOVSWSA-N	318.163	3.934	50	40	DHGB	
CC(C)CCC[C@@H](C)CC1C(C#N)=C(N)SC(N)=C1C#N	549759	INQUGRRMQXMELU-LLVKDONJSA-N	304.463	3.590	50	40	DHGB	
O=C(N/N=C\c1ccccc1)C12[C@H]3CCC[C@H]1C32c1ccccc1	101027894	HPYLMANWVPBFCV-JLMCGXSXSA-N	316.404	3.505	50	40	DHGB	
N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21	1320699	PSHOEWVESVTHJI-UHFFFAOYSA-N	319.751	3.688	50	40	DHGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	218722981	VIMUBRAOTANRAU-BJMVGYQFSA-N	317.728	3.952	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	498128	SAOIOEHRKYAQBI-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1csc2c1CCCC2	2766951	NLMVBMAZAYWZJN-LZYBPNLTSA-N	304.440	3.761	50	40	DHGB	
CCC1(CC)COP(=O)(OC[C@@H](Cl)CCl)OC1	4683225	QGGNIUGKOIONEO-VIFPVBQESA-N	305.138	3.811	50	40	DHGB	
CCCCCCSC1=C(C#N)C2(CCCC2)[C@H](C#N)C(=O)N1	8973248	KCGAGZFIVVZWQH-CYBMUJFWSA-N	317.458	3.865	50	40	DHGB	
Cc1cccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1	59301933	WGXIGRFYSKGYEX-UDWIEESQSA-N	320.396	3.951	50	40	DHGB	
N#CC(C#N)=C(N)/C(C#N)=C(\C=C\c1ccc(Cl)cc1)C1CC1	101311851	RMTCPVKHROAILP-KAOOBFGZSA-N	320.783	3.843	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CCl	101674710	YVONUKQVFGVOMZ-IAGOWNOFSA-N	322.880	3.563	50	40	DHGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC(C)C)c2C)c1	20247448	QGDKOSBGBPVYJA-UDWIEESQSA-N	311.429	3.899	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)o2)c1	408853004	KJPVYRRQCNDNEV-QINSGFPZSA-N	321.380	3.734	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C)c2C)cc1	380066	VSBSRGZRWXOHML-LFIBNONCSA-N	323.396	3.586	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	2780004	VEIAKYNPIQRNTC-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl	6209682	WNINAFMJSFFHKK-YRNVUSSQSA-N	318.163	3.934	50	40	DHGB	
N#C[C@@H](C(=O)CCl)c1nc(-c2ccc(Cl)cc2)cs1	6438090	ALRPORUQKILROG-JTQLQIEISA-N	311.193	3.879	50	40	DHGB	
CC1=C/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)CC1	38205946	ARPFIMPBGOBNJY-CYVLTUHYSA-N	300.402	3.710	50	40	DHGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)c1ccccc1	59678690	LPTUZLPSVNKFMJ-RIYZIHGNSA-N	313.740	3.868	50	40	DHGB	
CCOC(=O)[C@H]1C[C@H](Cl)c2c(ccc3cc(OC)ccc23)N1	1740417	KRAMWBCCPHPNDF-DZGCQCFKSA-N	319.788	3.876	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@H]2CC[C@@H]1C2	20158987	JTXMUFJZYYCMDM-RJTIHVBJSA-N	306.793	3.588	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2)cc1	509111	OAXJXLWAIKXMOW-DEDYPNTBSA-N	310.397	3.513	50	40	DHGB	
O=C(N/N=C/c1ccncc1)c1cc2c(ccc3ccccc32)o1	567186	IYBBOHFITSTGKT-CIAFOILYSA-N	315.332	3.745	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)COc1ccc(C(C)C)cc1	4862942	TYCAPHCXEUNRAS-VCHYOVAHSA-N	316.426	3.709	50	40	DHGB	
COC(=O)c1ccc(C(=O)[C@H](Cl)c2ccccc2)c(C)c1	575362555	XRKFZTSEHSWNNK-OAHLLOKOSA-N	302.757	3.944	50	40	DHGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccc(Cl)cc1	3173097	DBECUPDSUNNPPC-RGRGLRPZSA-N	314.772	3.778	50	40	DHGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(O)c1	7210435	CLZYCXQTEWHTPS-NTUHNPAUSA-N	312.756	3.900	50	40	DHGB	
COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccccc3[C@@H](OO)C[C@@H]12	104038206	XPAMSYAPKVCVJF-CIRFHOKZSA-N	304.386	3.858	50	40	DHGB	
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc2O1	408710834	NXOJMQKPMSAVAN-XDUBLRSXSA-N	304.349	3.556	50	40	DHGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1	2769003	WAPOMCHZZDGTOP-DTQAZKPQSA-N	312.413	3.831	50	40	DHGB	
O=C(N/N=C\c1ccccn1)c1sc2ccccc2c1Cl	6829847	HTQZYIIYSDEKEQ-NVMNQCDNSA-N	315.785	3.714	50	40	DHGB	
CCOC(=O)/C(C#N)=C(/S)Nc1ccc(C(C)(C)C)cc1	16681977	YLUMWCVSVKALQI-BUHFOSPRSA-N	304.415	3.624	50	40	DHGB	
CCCCCCCC(=O)N/N=C/c1nc2ccccc2n1CC	50861423	WZEPIFVNUSSTIU-XMHGGMMESA-N	314.433	3.867	50	40	DHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)Nc1ccccc1	63133	WUKKCOFCZAQPCD-VXLYETTFSA-N	307.275	3.861	50	40	DHGB	
O=C(CSc1nc2ccccc2s1)NN=C1CCCCC1	191805	ZWVXVKLOBLITPU-UHFFFAOYSA-N	319.455	3.825	50	40	DHGB	
CCCCCCCCCCOc1ccc(C(=O)NN)c(O)c1	100932086	MZYCXLQATLEXEY-UHFFFAOYSA-N	308.422	3.515	50	40	DHGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)c1	135237	ICDHOARSMXHYBO-UDWIEESQSA-N	310.397	3.648	50	40	DHGB	
COc1cccc2cc(C(=O)N/N=C/C=C/c3ccccc3)oc12	4526065	VQVUJHOFWWEOOL-XCHVBMRISA-N	320.348	3.870	50	40	DHGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1F	8379927	OFKRWFXWHHHLPL-VZUCSPMQSA-N	312.256	3.527	50	40	DHGB	
O=C(CBr)CCn1c2c(c3ccccc31)CCCC2	40227632	JCROKMHBLPLCBH-UHFFFAOYSA-N	320.230	3.874	50	40	DHGB	
CC(/C=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1)=C\c1ccccc1	370068	KEILXWCIOUGCMD-STHKOIKCSA-N	323.352	3.722	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	44014113	IKAVORYZXADWPH-LFIBNONCSA-N	306.365	3.939	50	40	DHGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(CC)cc2)cc1	408711982	UCHFOZQCEWJWDX-RCCKNPSSSA-N	324.424	3.731	50	40	DHGB	
Br[C@H]1CC[C@H]2S[C@@H]1CC[C@@H]2Br	1570452	FEIYJFZEHGKDEN-RULNZFCNSA-N	300.059	3.571	50	40	DHGB	
O=C1c2ccccc2-c2c(NC(=O)C(Cl)Cl)cccc21	1673254	UYIIWKLDGVUVRE-UHFFFAOYSA-N	306.148	3.640	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)o1	131745	BJEHEXWSJOVSDG-PVGUKEHMSA-N	321.380	3.692	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1C[C@H]1c1ccccc1	5947710	DXIHXYNLXYYGRG-RDFRODCOSA-N	316.763	3.733	50	40	DHGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cccs1	408864152	SQLJPVXDBRCIKD-LVLBFHFTSA-N	318.467	3.910	50	40	DHGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCCC1	357531	XBUIBRFSKXMWCQ-VIFPVBQESA-N	315.200	3.807	50	40	DHGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1	5277253	QRZVZHPQQZMFPG-CPNJWEJPSA-N	316.788	3.568	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccs1	8166550	QPCYGGWBHMZYJE-XDHOZWIPSA-N	324.405	3.603	50	40	DHGB	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccc(F)cc1F	40139673	ZQHVZLKTOKMLMU-BJMVGYQFSA-N	320.245	3.789	50	40	DHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	43906051	PCDOGZFFHMILBJ-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
O=C(OC(CCl)CCl)[C@@H]1CC[C@H]2[C@H](C1)C2(Cl)Cl	100934412	JPYVZIVSPZMBKG-YEPSODPASA-N	320.043	3.596	50	40	DHGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)c1	408771569	HYENQLMAVYIHTA-DHDCSXOGSA-N	322.364	3.725	50	40	DHGB	
O=C(N/N=C(\c1ccccc1)C1CCCCC1)c1ccncc1	6829381	QWAZJRCVXZYFNA-DYTRJAOYSA-N	307.397	3.796	50	40	DHGB	
COc1ccc(C2=CC(=C(C#N)C#N)c3cc(O)ccc3O2)cc1	132549	HRQDHPFNMWJQJQ-UHFFFAOYSA-N	316.316	3.635	50	40	DHGB	
N#C[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)[C@H](O)CCl	35686405	BHEGMXJKNPRLHI-ZYHUDNBSSA-N	313.209	3.670	50	40	DHGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1	8969707	KNKSAQZCBJITEX-MRXNPFEDSA-N	320.417	3.959	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1nc2ccc(Br)cc2s1	20131948	OFAIVGRLALVHNH-YFKPBYRVSA-N	319.611	3.625	50	40	DHGB	
CC1(C)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])[C@@]2(C)CC[C@H]1C2	100082739	DXENNOBCAIEHIF-JAXHVZOPSA-N	315.373	3.527	50	40	DHGB	
CC(/C=C/c1ccccc1)=N/NC(=O)COc1ccc(C)cc1C	4018487	GOYNKEYMIBYFCX-DROBFSQSSA-N	322.408	3.888	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1C(F)(F)F	5748345	ZTDQZQHQXSIUHB-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccccc1Cl	12372348	SZZMEWQFLOJJJL-GRSHGNNSSA-N	311.772	3.894	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCCl)[C@H](c3ccco3)C2)cc1	13014036	OXXNZNXXOIJIJH-HNNXBMFYSA-N	316.788	3.895	50	40	DHGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1	13139337	QODUPRCGIMGYHT-LCYFTJDESA-N	310.246	3.725	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2C(F)(F)F)cc1	33750680	BIAGMSUUFHFUIB-JMIUGGIZSA-N	306.287	3.778	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccs2)cc1Cl	96663317	NHMGRNXSCFEZRQ-YFHOEESVSA-N	318.785	3.956	50	40	DHGB	
CC(C)(C)c1ccc(C(=O)NN=C(CCl)CCl)cc1	100244275	SCLSQVXFZUNJAL-UHFFFAOYSA-N	301.217	3.548	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)cc1	4722848	CSJKNGWXPADFIV-GDNBJRDFSA-N	322.364	3.509	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1C(C)(C)C	6761885	IAYAWSNARRACQW-DEDYPNTBSA-N	310.397	3.757	50	40	DHGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(Cl)cc1	12402625	WAOMENQNPJZKOY-CQSZACIVSA-N	304.802	3.555	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccc2ccccc2c1O	482610	YORHNLCGYQOMNW-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1	5024535	BKKHELONVBNZSN-PXLXIMEGSA-N	315.376	3.903	50	40	DHGB	
CC(C)(C)OC(=O)Nc1cccc(CCBr)c1	39085708	CFBHXWCHUJJBGO-UHFFFAOYSA-N	300.196	3.971	50	40	DHGB	
CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1O	6964895	CYEGBSBGULEEKV-UVTDQMKNSA-N	310.309	3.763	50	40	DHGB	
O=C(N/N=C1/CCCc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1	30734344	MOHCUJHUYZSWOS-NSTYQOOPSA-N	304.393	3.647	50	40	DHGB	
CC1(C)C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CCO1	79192172	VWBZWPFGWMHFHJ-QWHCGFSZSA-N	317.520	3.774	50	40	DHGB	biogenic
C=C[P@](=O)(OCC)[C@](O)(CBr)c1ccccc1	547306	DHBSATWBYONGPH-PXAZEXFGSA-N	319.135	3.685	50	40	DHGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(Cl)cc2)c1	409364167	NGHQOXHKHMATNF-YBFXNURJSA-N	300.789	3.650	50	40	DHGB	
O=C(N/N=C/c1ccccc1)Nc1cc(Cl)nc(Cl)c1	162935	HNRURGFZAPJZOS-LZYBPNLTSA-N	309.156	3.544	50	40	DHGB	
O=C(N/N=C/c1ccc(Br)cc1)Nc1ccccc1	498207	QFPDIIMGZUSSBS-MHWRWJLKSA-N	318.174	3.605	50	40	DHGB	
O=C(Cc1cccc2ccccc12)N/N=C/C=C/c1ccco1	3081845	XDPYKCKQRBPRAM-PBVZTHECSA-N	304.349	3.791	50	40	DHGB	
C[C@]12CC[C@@]3(O)[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC=C2C#N	4029510	CWVUTLNSLUOPFE-UHZRXMQZSA-N	311.425	3.693	50	40	DHGB	biogenic
Cc1cc2c(cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1)OCO2	6425779	YBZJQGWEMHAAAP-NSIKDUERSA-N	308.293	3.696	50	40	DHGB	
O=c1[nH]c(CCl)nc2c1C1(CCCC1)Cc1ccccc1-2	17147156	LEQVNCSENKLUDJ-UHFFFAOYSA-N	300.789	3.544	50	40	DHGB	
CCC(CC)[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	181720	JVTISQKIQRWSGI-KRWDZBQOSA-N	322.412	3.787	50	40	DHGB	
O[C@@H](CBr)Cn1c2ccccc2c2ccccc21	3128835	AOKYEDZKQRJLJI-NSHDSACASA-N	304.187	3.550	50	40	DHGB	
O=C(O/N=C(\CBr)c1ccccc1)c1ccccc1	16923815	SOJWATNXEMEGSV-SAPNQHFASA-N	318.170	3.643	50	40	DHGB	
Cc1cc(C(=O)N/N=C2/CCSc3ccc(F)cc32)c(C)o1	33653180	NPFJNTUGDBLNAO-JXAWBTAJSA-N	318.373	3.665	50	40	DHGB	
CCc1cccc2c(C(=O)/C(C#N)=C/c3c(C)n[nH]c3C)c[nH]c12	97152316	FPVSRLGKQLEUHO-RIYZIHGNSA-N	318.380	3.860	50	40	DHGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2cccs2)N=C1O	9015794	DVOZOHPFZNCFDJ-ZDUSSCGKSA-N	313.407	3.888	50	40	DHGB	
O=C(NNc1ccc(F)cc1)c1cc(Cl)sc1Cl	60741911	JKQOCTXVIIXRLV-UHFFFAOYSA-N	305.161	3.951	50	40	DHGB	
FCCO[C@@H]1CC(F)(F)[C@](F)(C(F)(F)F)C[C@@H]1Cl	227002639	SADROALXJFTQPE-XVMARJQXSA-N	302.617	3.648	50	40	DHGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccs2)cc1	409144816	GUTDARWQZSELDF-SEJMYLSOSA-N	304.440	3.687	50	40	DHGB	
CCCCOc1ccc(C(=O)N/N=C/C=C/c2ccco2)cc1	2755613	GRBVSUFFQQAAGD-RGRGLRPZSA-N	312.369	3.888	50	40	DHGB	
C=CCc1cc(/C=C(\C#N)c2nc(C)cs2)cc(OC)c1O	96314002	BSRBLVKNRBWRGM-VGOFMYFVSA-N	312.394	3.958	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	337289	IYYNWIRHSBFDMR-OQLLNIDSSA-N	321.336	3.757	50	40	DHGB	
Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(F)cc2)s1	13141581	MNERZPGEBVPPKS-RIYZIHGNSA-N	307.371	3.534	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@@H]2C[C@@H]1C[C@@H]2C(F)(F)F	100335427	JBSGHVMHMIFLDF-MOAJPVMHSA-N	324.346	3.556	50	40	DHGB	
CC(C)/C(=N\P(=O)(c1ccccc1)c1ccccc1)N(C)C	104065741	GTKLKZWJQKTVHL-VHEBQXMUSA-N	314.369	3.532	50	40	DHGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	408794196	IECVHBMEIKJUKH-DHZHZOJOSA-N	315.760	3.545	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)s1	491983	IHNRKHDANYWMPD-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
C/C(=N/NC(=O)Cc1cccc2ccccc12)c1cccs1	13151992	MXNIYWMSZUJJOD-UYRXBGFRSA-N	308.406	3.984	50	40	DHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1Cl	14003040	SHTGGMHLBKNFEP-VCHYOVAHSA-N	307.180	3.686	50	40	DHGB	
N#C/C(=C\c1cc(F)ccc1F)C(=O)Nc1ccc(F)cc1	40139573	KSCQGXYNGVCXFP-YRNVUSSQSA-N	302.255	3.650	50	40	DHGB	
CC(=O)Oc1ccc(C(=O)CCCCCBr)cc1	575362128	FUTJQHWPLMMMNR-UHFFFAOYSA-N	313.191	3.750	50	40	DHGB	
CCCCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1	2702759	RQABZFLCHYFNNE-QGOAFFKASA-N	300.358	3.613	50	40	DHGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N(C)C)o2)cc1	59137910	WPZYGBLVPURENZ-RAXLEYEMSA-N	312.394	3.734	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(C)s1	108042578	WSZYNJZKWHRAGU-YBFXNURJSA-N	324.405	3.982	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(O)c1	408900907	YYSNGYUUSQDETH-OQLLNIDSSA-N	322.364	3.563	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(C)c1	409390593	FOLCHHXVABLKIF-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	1086722	VPUJMCXHCOMFRI-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
CC(C)(C)OC(=O)Nc1ccc(OCCBr)cc1	26894726	WBFZSVLIQOAVEV-UHFFFAOYSA-N	316.195	3.807	50	40	DHGB	
O=C(COc1ccc2ccccc2c1)NNc1ccc(F)cc1	45971812	KTLWAKXPKRJJEV-UHFFFAOYSA-N	310.328	3.501	50	40	DHGB	
Cc1csc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCCO3)n1	96843898	PQHROSSXQGJIRO-WCIBSUBMSA-N	318.785	3.940	50	40	DHGB	
COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl	30822098	KWIDMFBACUZLTF-NVMNQCDNSA-N	323.179	3.766	50	40	DHGB	
Fc1cc(Br)ccc1OCCCBr	36723981	MKCNZOJQBCACMC-UHFFFAOYSA-N	311.976	3.752	50	40	DHGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)c1	408771866	KSZSVXPXQHSUQG-YBEGLDIGSA-N	323.396	3.586	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(F)cc1	343118	BQTUXIKJYFSGIV-GIJQJNRQSA-N	322.792	3.722	50	40	DHGB	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1	804104	VBWFHJWQMXTBJL-LJQANCHMSA-N	319.408	3.751	50	40	DHGB	
CCCCCCCC(=O)N/N=C/c1cccc(OC)c1OC	2335217	CFAJZYQCXFTFOU-QGOAFFKASA-N	306.406	3.514	50	40	DHGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1ccccn1	4151261	DQDANBFGCYZFSZ-UHFFFAOYSA-N	314.348	3.540	50	40	DHGB	
C/C(=N\NC(=O)c1cccnc1)c1cc(Cl)ccc1Cl	5163201	GSRMJEYUHSAUJB-GIJQJNRQSA-N	308.168	3.542	50	40	DHGB	
CCCOc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	43079303	MAAPYJKRRPPZJJ-DTQAZKPQSA-N	322.412	3.857	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C[C@H](C)O3)cc1	408710863	QOZUCPZUNGYTRB-FMNVXAMXSA-N	318.376	3.864	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc2ccccc2o1	408843022	CWBLPBIYNNENCJ-JAIQZWGSSA-N	317.348	3.986	50	40	DHGB	
COCCOC(=S)SSC(Cl)(Cl)Cl	1676172	DBJUDGQKINRGRT-UHFFFAOYSA-N	301.669	3.643	50	40	DHGB	
CO[C@@H](C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1	38823262	ZENGFAGEIYXKLW-KNGGAZFVSA-N	318.376	3.678	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(F)cc1	58915510	MLFCMZGXNJJYRZ-CPNJWEJPSA-N	316.401	3.599	50	40	DHGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccc(F)cc2[nH]1	408569915	QYZIRKBWUWIWCX-GHXNOFRVSA-N	321.311	3.537	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	381222	OZMQVKOQRCZOHZ-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
O=C1C[C@H](Br)C(c2ccccc2)(c2ccccc2)O1	1689881	BPCLQXLEWDHXBA-AWEZNQCLSA-N	317.182	3.641	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OCC)c1	5872463	VGRYKYQIHWYDDP-OQLLNIDSSA-N	317.385	3.590	50	40	DHGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(C(C)C)cc1	7041571	LBKLWLUKOHVWHQ-UDWIEESQSA-N	320.396	3.530	50	40	DHGB	
FCCO[C@@H]1CC(F)(F)[C@@](F)(C(F)(F)F)C[C@H]1Cl	215669976	SADROALXJFTQPE-FSDSQADBSA-N	302.617	3.648	50	40	DHGB	
COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)c1	408814447	HANZICZBJSZYRX-ODLFYWEKSA-N	308.337	3.514	50	40	DHGB	
CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)C21CCCCC1	197128	LRJYKPSYSQXWGW-UHFFFAOYSA-N	302.443	3.848	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	1497153	NRSZFLVECSZTIP-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
CCCCCCC[C@H](C)C1C(C#N)=C(N)SC(N)=C1C#N	2700158	XYZJZUNTHMXQHZ-NSHDSACASA-N	304.463	3.734	50	40	DHGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	96482369	ZEARVGFABJWDRJ-LUAWRHEFSA-N	315.760	3.545	50	40	DHGB	
NP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1	104140989	VIODPWSEOFIUNP-UHFFFAOYSA-N	313.768	3.544	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1O	409359204	ABKKFWJDALIGEC-AUWJEWJLSA-N	309.321	3.584	50	40	DHGB	
CC1(C)CC(=O)c2cnn(-c3ccccc3)c2[C@H]1Br	3101762	BZAZBGOGWOWHAX-CQSZACIVSA-N	319.202	3.921	50	40	DHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	15219819	DOLRTQVUVZCXQN-RAXLEYEMSA-N	312.756	3.894	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1ccnc2ccccc12	199783852	ZMJYGHKMYQNPHC-UHFFFAOYSA-N	318.833	3.751	50	40	DHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1cccc(Cl)c1	408850201	IAOKPARZGJBXSD-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCc1ccccc1	207816	DWMCRHSIZLSSQY-LFIBNONCSA-N	315.376	3.700	50	40	DHGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C#N)cc2)o1	1454075	QMLWJZIWTZUJJJ-HRBHWIJPSA-N	317.348	3.820	50	40	DHGB	
COc1ccc(/C(C#N)=C2\C=C/C(=N\O)c3ccccc32)cc1	31778075	CYCYSCSRPYPQLM-OIAJMNCSSA-N	302.333	3.878	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2F)cc1	409120654	VCONDDPIGHWOBB-OTGIAGGSSA-N	316.401	3.765	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)nc2c1	5387317	IGRDEZDDSQRJEL-MDWZMJQESA-N	304.309	3.844	50	40	DHGB	
Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccccc1	15989868	DYWDCGDUMACISD-UNOMPAQXSA-N	323.421	3.920	50	40	DHGB	
CCCCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1	408737124	KGWCORVFMFDGDY-KGENOOAVSA-N	321.380	3.501	50	40	DHGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc2ccccc12	492980	VGSBOMKSYLFNPP-SFHVURJKSA-N	304.349	3.510	50	40	DHGB	
N#C/C(=C\c1ccc(N2CCCC2)o1)c1nc2ccccc2[nH]1	4739866	HTCYIZAAQZORMV-ACCUITESSA-N	304.353	3.820	50	40	DHGB	
C=CCOC(=O)C1=C(C)SC(S)=C(C#N)[C@H]1c1cc[nH]c1	103401649	MNRYXLPHTQTVRX-CYBMUJFWSA-N	318.423	3.513	50	40	DHGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccco1	408995129	JIMJOVPMCHFGTA-BOPFTXTBSA-N	312.350	3.788	50	40	DHGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	1021360	WTWJEWRNXIOLPC-YBFXNURJSA-N	316.788	3.891	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1	33305690	IYYNWIRHSBFDMR-DHDCSXOGSA-N	321.336	3.757	50	40	DHGB	
CC(C)(C)c1ccc2c(c1)C[C@H](CI)O2	218742626	QGTRRBHNKPCYFA-LLVKDONJSA-N	316.182	3.723	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1	408963912	PZGDEBGOEBXZEO-KEBDBYFISA-N	306.287	3.778	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1OC	70487	BHILFAAGJQRUAE-GXDHUFHOSA-N	310.309	3.676	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1	787521	LDLQSPULOROZAJ-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OC)cc1	103141357	FUAYYYGMYVQDRM-VBKFSLOCSA-N	306.365	3.803	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)s1	408965972	YDKDWYBOZPXYJU-QGMBQPNBSA-N	312.316	3.839	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3C)cc2c1	409184119	IVGIMCPIZQAIDX-NDENLUEZSA-N	322.364	3.904	50	40	DHGB	
CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccccc2F)c1	4543247	GBMUWLDSAZSLIY-RGVLZGJSSA-N	314.360	3.593	50	40	DHGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccccc1	12492772	GLBALUYRXMCLGD-RCCKNPSSSA-N	302.377	3.923	50	40	DHGB	
C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C)C1(O)C#N	97949706	HTJJHIYXGFLKJV-OPMWNPIGSA-N	306.409	3.599	50	40	DHGB	
O=C(CCl)NCCSCc1ccc(Cl)cc1Cl	408910794	KYWULSWKEKBKAH-UHFFFAOYSA-N	312.649	3.582	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2ccc3ccccc3c2)cc1	135020	CVUQMOISYNQUKV-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1	12571489	GATRBLNXXJMMCK-OBGWFSINSA-N	302.761	3.590	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1C1CC1	17577885	XZZUXNOYLLJFNN-LFIBNONCSA-N	305.381	3.986	50	40	DHGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccccc1Cl	33700075	DJAWLHWDZUZSRT-ZROIWOOFSA-N	307.740	3.757	50	40	DHGB	
O=C(Cl)[C@H]1CC=C2c3ccccc3CC[C@H]2[C@H]1C(=O)Cl	104076339	WWHIZRHALFOKFV-HZSPNIEDSA-N	309.192	3.799	50	40	DHGB	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)cc1	507706	DVVOHPHHYYUEPL-UHFFFAOYSA-N	302.334	3.584	50	40	DHGB	
CCCCCCCCC(=O)N/N=C/c1cccc(OC)c1O	2096314	WWBZOUYWDQAGJN-QGOAFFKASA-N	306.406	3.602	50	40	DHGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)O	3226908	GHHHLGXZLLIGQN-PTNGSMBKSA-N	315.332	3.531	50	40	DHGB	
C/C(Cc1ccccc1)=N\NC(=O)CSCc1ccccc1	20248706	QDSINCQZASDKMQ-XDJHFCHBSA-N	312.438	3.655	50	40	DHGB	
CCc1ccc(CC(=O)N/N=C(\C)c2ccc(C)cc2C)cc1	409363707	MOXQORYRQFGWSL-LTGZKZEYSA-N	308.425	3.949	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1Cl	3153246	MAGDHGUWKIZCOK-GIJQJNRQSA-N	323.179	3.523	50	40	DHGB	
O=C(CCl)N(CCc1ccccc1)CCc1ccccc1	3267910	JXPVKJHQSCSZGO-UHFFFAOYSA-N	301.817	3.539	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccccc2Cl)c1	4482765	SBZIRHWJYFTFTB-JFENUBAZSA-N	316.788	3.566	50	40	DHGB	
O=C(CCc1ccco1)NN=C(c1ccccc1)c1ccccc1	22190199	VLVPTVKJKJYVAD-UHFFFAOYSA-N	318.376	3.781	50	40	DHGB	
C[C@@H](OO)[C@H]1CCCCN1c1cccc(Br)c1	675082278	QIPZCEDQPXMBHL-ZWNOBZJWSA-N	300.196	3.686	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(N)c1	4579652	LTFHNQVMLSAWHP-FYJGNVAPSA-N	309.413	3.720	50	40	DHGB	
O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(F)cc1	4784586	WTLQYURFOYXFLB-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
CCCN(CCC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	6172977	MKEJEXXLIRCBHZ-KAMYIIQDSA-N	322.355	3.844	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1C	8276310	BJYIXRCXYCVLMY-GDNBJRDFSA-N	324.336	3.985	50	40	DHGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc2ccccc12	584832	MSGITMIPCJCLDJ-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
CN1/C(=C(/C#N)C(=O)CSc2ccccc2)Nc2ccccc21	1915002	GKKKORJJYQRNGG-JXAWBTAJSA-N	321.405	3.645	50	40	DHGB	
CC1(C)CC(=O)C2=C(C1)NC(S)=C(C#N)[C@H]2c1cccs1	5464924	AKJIBQIWSOMKBZ-ZDUSSCGKSA-N	316.451	3.743	50	40	DHGB	
BrCc1cc2ccccc2nc1Br	32253348	KGDFHGMTFPQPSG-UHFFFAOYSA-N	300.981	3.892	50	40	DHGB	
Cn1cc(C(=O)N/N=C\c2cccc(Cl)c2)c2ccccc21	33322887	HDQHBYDZYNHXDN-GRSHGNNSSA-N	311.772	3.596	50	40	DHGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)Cn1cnc2ccccc21	408691742	OMQNNEVPGDNSBB-ZSOIEALJSA-N	304.309	3.552	50	40	DHGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	6854236	NILLDLHNGXRDER-QGOAFFKASA-N	320.392	3.699	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1Br	6959976	CZWYKBVDJQPXKR-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
Cc1ccsc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409238731	NMXHYKSTAKNEIZ-VBKFSLOCSA-N	310.422	3.713	50	40	DHGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	497978	FEXGBORUCYIBKG-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	
N#CC1=C(n2cccc2)OC2=C(C(=O)CCC2)[C@H]1c1ccco1	1403384	UDNZKURESDITJY-MRXNPFEDSA-N	306.321	3.594	50	40	DHGB	
NNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12	6342582	WWQIULFTAVLQKC-UHFFFAOYSA-N	313.360	3.659	50	40	DHGB	
O=C(N/N=C\c1c(F)cccc1Cl)c1cc2ccccc2o1	16525712	PAIRGKYSTOYFQA-OCKHKDLRSA-N	316.719	3.989	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)cc2)NC(=S)N1	409369136	DOQAUJRKAHAHHF-GFCCVEGCSA-N	305.834	3.683	50	40	DHGB	
COC(=O)c1sccc1NC(=O)c1cccc(CCl)c1	2575285	PTDJCZIESZVKBW-UHFFFAOYSA-N	309.774	3.526	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(CC)s2)cc1	2754571	CYOPSXQPOOVGOU-LDADJPATSA-N	316.426	3.863	50	40	DHGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1F	3100217	XFQXUSYMFMQVND-UHFFFAOYSA-N	316.335	3.989	50	40	DHGB	
CC(C)(C)NC(=O)C(=O)NN=C1CCCCCCCCCCC1	4832439	LAIXWAJXRIMCDK-UHFFFAOYSA-N	323.481	3.678	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)cc1	4982938	VSBSRGZRWXOHML-WJDWOHSUSA-N	323.396	3.586	50	40	DHGB	
Cc1cccc(OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1C	5818530	ZYMNZPJTYYXRTM-UHFFFAOYSA-N	319.364	3.524	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1C	15220167	MHCSVSQQOQLIDN-ATVHPVEESA-N	319.408	3.915	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC2)c(C)n1C1CCCCC1	585145565	DGDVHBFOQHCROZ-SFQUDFHCSA-N	311.429	3.749	50	40	DHGB	
O=C(CCCl)Nc1ncc(Cc2ccc(Cl)cc2)s1	2329652	XHENDPKCDRWVPJ-UHFFFAOYSA-N	315.225	3.955	50	40	DHGB	
N#C/C(=C(/O)C(Cl)(Cl)Cl)c1nc2ccccc2[nH]1	101924644	PMRCKYQHCFYIPW-TWGQIWQCSA-N	302.548	3.726	50	40	DHGB	
O=C1C[C@@H](Br)C(c2ccccc2)(c2ccccc2)O1	1624068	BPCLQXLEWDHXBA-CQSZACIVSA-N	317.182	3.641	50	40	DHGB	
C[C@@H](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)Cl	1638622	KRYAAKUROZUYRW-VXGBXAGGSA-N	320.240	3.796	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	3027269	GBQKTVQKFNLHQZ-FYJGNVAPSA-N	324.424	3.822	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc2cc[nH]c12	3181841	KIFXFWDQNUTWAA-SRZZPIQSSA-N	316.364	3.722	50	40	DHGB	
FCCOc1ccc(CBr)cc1Br	87776080	WIMCMQAVYKFWSV-UHFFFAOYSA-N	311.976	3.692	50	40	DHGB	
O=C(c1ccc(N2CCOCC2)cc1)[C@H](Cl)c1ccccc1	575358621	IYEOQPPORFGLQO-QGZVFWFLSA-N	315.800	3.686	50	40	DHGB	
CSc1cccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c1	99688	OCLGILWSLIFKLS-UHFFFAOYSA-N	320.373	3.677	50	40	DHGB	
CCc1ccccc1N(C(C)=O)c1nc(CN=C=S)cs1	4200469	CGBJJLHAVPJANM-UHFFFAOYSA-N	317.439	3.993	50	40	DHGB	
COc1ccccc1/C=C/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C	4947176	YDEQGKJVKNRYCZ-SPEFASIHSA-N	324.424	3.853	50	40	DHGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1	40139598	QQXFAIMPCYXKBE-FKTQOLNDSA-N	312.413	3.687	50	40	DHGB	
COc1ccc(/C(C#N)=C2/C=C/C(=N/O)c3ccccc32)cc1	102908908	CYCYSCSRPYPQLM-HSHHTGOPSA-N	302.333	3.878	50	40	DHGB	
COc1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1	216856783	WJEICOYCABWCOJ-UHFFFAOYSA-N	316.744	3.681	50	40	DHGB	
O=C(CCl)Nc1cc(-c2nc3ncccc3o2)ccc1Cl	216857990	MBSXGJOIRFQEAW-UHFFFAOYSA-N	322.151	3.721	50	40	DHGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)c1	408779211	SGDXMHNTXWLXLE-YBEGLDIGSA-N	322.364	3.581	50	40	DHGB	
NC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1	409022490	AKUYMKQCFQSSRL-VIZOYTHASA-N	311.819	3.555	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2ccc(Br)cc2)c1	498309	FGOBCCKEPBYMBP-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
CCOC(=CP(=O)(c1ccccc1)c1ccccc1)OCC	1575227	PVPZQGQKIUZTIS-UHFFFAOYSA-N	316.337	3.872	50	40	DHGB	
N#C/C=C(/NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	5266948	BTINCNMVFQLJOA-CXUHLZMHSA-N	313.744	3.902	50	40	DHGB	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2)c1	9910950	GOJYRGTXBLLQHS-ZDUSSCGKSA-N	316.788	3.566	50	40	DHGB	
COc1cc2c(cc1/C=C(\C#N)c1nc(C)cs1)O[C@@H](C)C2	14161737	RDHAFZCDSPHDJB-MUKINBEESA-N	312.394	3.848	50	40	DHGB	
CC[C@@]1(C)Cc2ccccc2C(NC(=O)N2CCCC2)=C1C#N	15841539	MMWUNNGLOGUADB-IBGZPJMESA-N	309.413	3.699	50	40	DHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1sccc1C	58915551	JVHANWVAMMDTPC-RQZCQDPDSA-N	318.467	3.748	50	40	DHGB	
CC1(C)C[C@H](NC(=O)CCCC[C@H]2CCSS2)CCO1	79192177	VWBZWPFGWMHFHJ-OLZOCXBDSA-N	317.520	3.774	50	40	DHGB	biogenic
COC(=O)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cn1	228943282	WDWXBZZCNNXMSI-UHFFFAOYSA-N	309.482	3.823	50	40	DHGB	
C/C(=N\NC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1	408598533	CMTYRORXUJUPLJ-DEDYPNTBSA-N	304.349	3.699	50	40	DHGB	
O=C(N/N=C/c1ccccc1)[C@]12[C@H]3CCC[C@@H]1[C@@]32c1ccccc1	408822174	HPYLMANWVPBFCV-IXLTUZGQSA-N	316.404	3.505	50	40	DHGB	
COc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1	512490	HWIWNDOYDDSPGK-DEDYPNTBSA-N	310.397	3.757	50	40	DHGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2	5052075	OMLQYLRQFYICGR-INIZCTEOSA-N	322.412	3.704	50	40	DHGB	
CCOC(=O)N/N=C\c1ccc(-c2ccc(OC)c(Cl)c2)o1	5796362	UQASZVHCCMQPIR-MFOYZWKCSA-N	322.748	3.689	50	40	DHGB	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1	20229000	XTLWPWQPZJBQJJ-ZROIWOOFSA-N	310.309	3.676	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2	102334496	JTXMUFJZYYCMDM-MWWSCNBKSA-N	306.793	3.588	50	40	DHGB	
CC(=O)N/N=C/c1ccccc1OCc1ccc2ccccc2c1	409019454	JKFKJBMUDJSPTR-FYJGNVAPSA-N	318.376	3.889	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)cc1	50345	HKGAGSVDMSYQMK-RCCKNPSSSA-N	309.413	3.510	50	40	DHGB	
O=C(O)c1cc([C@H](Cl)C(Cl)(Cl)Cl)ccc1O	2045018	MIDTWVMBRMCBLH-ZETCQYMHSA-N	303.956	3.741	50	40	DHGB	
O=C(CI)c1ccc(Cl)cc1Cl	72226334	PBLNLJAWHDBJEN-UHFFFAOYSA-N	314.937	3.611	50	40	DHGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccc(Cl)cc1	107659411	TUHJBJUOOCXCIF-CQSZACIVSA-N	319.744	3.584	50	40	DHGB	
O=C(CBr)c1cc2ncccc2c2ccccc12	1702326	QEBQVOLFZSULMI-UHFFFAOYSA-N	300.155	3.966	50	40	DHGB	
COc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)ccc1O	24362143	IQBUOBJHLVIPAJ-IZZDOVSWSA-N	320.270	3.879	50	40	DHGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	408759865	NBXYHBMOUOCVAQ-UVTDQMKNSA-N	308.312	3.574	50	40	DHGB	
O=P(CCc1ccncc1)(c1ccccc1)c1ccccc1	52693	FVJPVEVIFZICTE-UHFFFAOYSA-N	307.333	3.638	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	3491347	XXPGTQHXTLNMRV-QMMMGPOBSA-N	315.225	3.953	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(Br)cc1	13109480	FWUZTGPKISHQBJ-OQLLNIDSSA-N	313.195	3.698	50	40	DHGB	
COc1ccc(/C=N/NC(=O)Cc2cccs2)c2ccccc12	8116139	PEMDMBUWQRKDBS-XDHOZWIPSA-N	324.405	3.603	50	40	DHGB	
O=C(NNC1=NCCCCC1)Nc1ccc(Cl)c(Cl)c1	26441558	AGSBSMYFNLJHPP-UHFFFAOYSA-N	315.204	3.592	50	40	DHGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1	33930385	SMHFTJKGUGRCFK-GDNBJRDFSA-N	321.336	3.757	50	40	DHGB	
O=C1OC(=O)[C@H]2[C@H]1c1c(ccc3ccccc13)[C@H]1CCCC[C@@H]12	101013207	GMVBBHPSZDEHRJ-LBTBCDHLSA-N	306.361	3.910	50	40	DHGB	
Cc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccccc1	107688485	IZJAEMFKDYHWHM-ZHZULCJRSA-N	318.380	3.941	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1	354879	UGIGNJHDVVZHFM-KGENOOAVSA-N	318.376	3.870	50	40	DHGB	
O=C(CCCC[C@@H]1CCSS1)NCC(=O)c1ccccc1	96113833	QZTTVKGIITVVFF-CQSZACIVSA-N	323.483	3.700	50	40	DHGB	biogenic
O=C(/C=C/c1cccc2ccccc12)NNC(=O)C1CCCCC1	572041	KKNYQPNBXRLARZ-BUHFOSPRSA-N	322.408	3.581	50	40	DHGB	
CCN(CC)N(C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1	4744178	AUKVHOOBECGUKY-UHFFFAOYSA-N	324.424	3.843	50	40	DHGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1	7158017	OFKZHCSLWOCAFD-NCEZTRIPSA-N	312.413	3.687	50	40	DHGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	33362202	ICESFPGHMNRHEQ-PDGQHHTCSA-N	320.392	3.697	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1C1CC1	40161133	XZZUXNOYLLJFNN-WJDWOHSUSA-N	305.381	3.986	50	40	DHGB	
COc1ccc(CCC(=O)/C(C#N)=C\c2cccc(O)c2)cc1	69775840	UUJHQPIOUQLDPQ-WJDWOHSUSA-N	307.349	3.510	50	40	DHGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3ccco3)cc21	208439536	PGOGHSRZUVJXRR-NDENLUEZSA-N	323.396	3.675	50	40	DHGB	
C=C[Si](C)(C)OB(O[Si](C)(C)C=C)O[Si](C)(C)C=C	217993302	TVHGQPXBJLWLCS-UHFFFAOYSA-N	314.415	3.812	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3OCC#N)nc2c1	4855430	DUFPYPDGLBEJIB-RVDMUPIBSA-N	314.348	3.838	50	40	DHGB	
N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc2ccccc2o1	5337168	USHQCWKSAUOIIO-ZHACJKMWSA-N	306.281	3.713	50	40	DHGB	
CC(C)(C)[C@@H](Br)C(=O)NCc1cc2ccccc2o1	96004301	ZCVRGWNKVQHSFM-ZDUSSCGKSA-N	324.218	3.859	50	40	DHGB	
O=C/C(=C\Nc1cc(Cl)ccc1O)c1nc2ccccc2o1	3013049	GNICOKQHECYHFI-CSKARUKUSA-N	314.728	3.839	50	40	DHGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1	12940483	MCLZGZWAKVSDTH-DHZHZOJOSA-N	317.270	3.646	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1	408858812	SVTKRMXBGVLXDR-QINSGFPZSA-N	321.380	3.734	50	40	DHGB	
CC/C(Cc1ccccc1)=N\NC(=O)COc1ccc(C)c(C)c1	408957213	STLSWYRGWGSKRU-DYTRJAOYSA-N	324.424	3.807	50	40	DHGB	
Br[C@H]1CC[C@H]2S[C@@H]1CC[C@H]2Br	5600425	FEIYJFZEHGKDEN-ULAWRXDQSA-N	300.059	3.571	50	40	DHGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1	6763949	TWGXDQAGKIRLOW-WYRUSDGCSA-N	304.340	3.567	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@H](c3cccs3)C2)cc1	36393653	SQOLGWRATCPARV-AWEZNQCLSA-N	318.829	3.973	50	40	DHGB	
COc1ccc(/C=C(/C#N)Cn2cnc3ccccc32)c(OC)c1	408691939	ZFFMSIKTZHKVSB-ZROIWOOFSA-N	319.364	3.661	50	40	DHGB	
O=C/C(=C/NCc1ccccc1)c1nc2cc(Cl)ccc2o1	5729019	IRHAKEWKKFJILV-RAXLEYEMSA-N	312.756	3.811	50	40	DHGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2cc(C)ccc2C)cc1	408711624	BTQGZGDNBYUZPH-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
N#CC1=C(N)Oc2cc(C(F)(F)F)ccc2[C@H]1c1ccccc1	500169	HULIAUWUMOWLDY-OAHLLOKOSA-N	316.282	3.924	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	5526826	MUZDMOFMZOXKGK-JLHYYAGUSA-N	312.756	3.894	50	40	DHGB	
COc1cc(/C=C/C#N)ccc1OC(=O)COc1ccc(C)cc1	1787418	KRQDUXFFZSZVCH-ONEGZZNKSA-N	323.348	3.525	50	40	DHGB	
COC(=O)[C@@H]1CCC[C@]23C[C@H](C[C@H]12)C(C)(C)[C@H]3Br	5103431	BRSKSAQQGYBNNN-RDBXRGDRSA-N	315.251	3.775	50	40	DHGB	
O=C(O)[C@H](Br)Cc1ccccc1Oc1ccccc1	225012982	BGBITRJNHYMFBD-CYBMUJFWSA-N	321.170	3.870	50	40	DHGB	
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(CCCl)cc1	242530	RHCSSGCPGXBBGS-PTNGSMBKSA-N	311.768	3.686	50	40	DHGB	
O=C(N/N=C/C=C/c1ccco1)c1cccc(C(F)(F)F)c1	4739633	LIAICBICUUNTMU-ZOBBUJNSSA-N	308.259	3.727	50	40	DHGB	
COc1ccc(-c2ccc(/C=C/C(=O)Cl)o2)c([N+](=O)[O-])c1	8729539	HJXSEWTWYHSJIV-QPJJXVBHSA-N	307.689	3.642	50	40	DHGB	
N#C/C(=C\c1ccc(Br)o1)c1ccc2c(c1)OCO2	613250	DAILPAHYTDXTJQ-BJMVGYQFSA-N	318.126	3.835	50	40	DHGB	
COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(F)cc1	13838074	AUDXALNWXHTQAK-MTJSOVHGSA-N	322.339	3.751	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccccc1	524504	ABVKPKPQUSYLJP-KGENOOAVSA-N	318.376	3.541	50	40	DHGB	
N#C/C(=C\c1cc(Cl)ccc1O)C1CCC([N+](=O)[O-])CC1	1735495	UUKHDEYVXVRSRT-KPKJPENVSA-N	306.749	3.788	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)N1C[C@H]1c1ccccc1	100498444	XDWLAYKJCVTLGJ-BGERDNNASA-N	319.344	3.972	50	40	DHGB	
COc1cc(OC)c2nc(C)c(CCCl)c(Cl)c2c1	383310	PVOFRFSALKQPSX-UHFFFAOYSA-N	300.185	3.995	50	40	DHGB	
O=C(C(Cl)Cl)N1c2ccccc2OC[C@H]1c1ccccc1	1392393	WTYYCRKMUKXOSB-ZDUSSCGKSA-N	322.191	3.957	50	40	DHGB	
O=C(N/N=C/c1ccccc1Cl)c1ccccc1-n1cccc1	1398792	ZINHSYVQXVNURW-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	8916576	VXJYAXURPZFVJZ-SFHVURJKSA-N	320.392	3.908	50	40	DHGB	
CN1/C(=C(/C#N)c2nc3ccccc3[nH]2)Sc2ccccc21	19074802	RWCSXFXFRIYXFG-GZTJUZNOSA-N	304.378	3.997	50	40	DHGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1	33401044	XACBBQXAWSKIAH-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
Nc1ccccc1OCP(=O)(c1ccccc1)c1ccccc1	509277	SAXDBXNLDREPOW-UHFFFAOYSA-N	323.332	3.619	50	40	DHGB	biogenic
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	13985230	KGUGNUBEHBLTPM-MDWZMJQESA-N	307.758	3.509	50	40	DHGB	
O=C(CBr)c1cccc(Cl)c1Br	97437862	VMUDYNYJANOTCI-UHFFFAOYSA-N	312.388	3.680	50	40	DHGB	
Cc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1	409237053	VJUCILOLTLAURE-RGEXLXHISA-N	304.393	3.651	50	40	DHGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	5521320	RUQCGNRXDVIDAJ-XDHOZWIPSA-N	319.320	3.512	50	40	DHGB	in-vivo
C/C(=N/NC(=O)OC(C)(C)C)c1ccccc1Br	13140406	FZFFVMRPYYKQTI-DHDCSXOGSA-N	313.195	3.698	50	40	DHGB	
CC[C@]1(C)Cc2ccccc2C(NC(=O)N2CCCC2)=C1C#N	15841540	MMWUNNGLOGUADB-LJQANCHMSA-N	309.413	3.699	50	40	DHGB	
O=C(/C=C/c1ccccc1)N[C@H](Cl)C(Cl)(Cl)Cl	41098054	JKEZTWPLBJRQOJ-FGEFZZPRSA-N	313.011	3.751	50	40	DHGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	408801480	TZCGRGCZDLWJRD-GXDHUFHOSA-N	310.328	3.688	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	337294	OGRLLXWWXBWOFZ-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
CC/C(C)=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	4155207	PPYYNGXUFRMDPW-PTPOTIKZSA-N	303.189	3.663	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1OC	44028502	VVSGCYRXWVMYRW-MDWZMJQESA-N	313.378	3.864	50	40	DHGB	
Br[C@H]1[C@@H]2C[C@H](c3ccccc32)[C@H]1Br	104132602	UGOBXGMGPCCRHH-DBIOUOCHSA-N	302.009	3.798	50	40	DHGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc2n1C	408868355	MENAGLHKVJWMAX-QXWLRXRCSA-N	323.440	3.763	50	40	DHGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)o2)cc1	409008079	SVMITOIVYPOJKH-DEDYPNTBSA-N	320.348	3.719	50	40	DHGB	
N#C/C(=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)c1nccs1	5601412	MJVCWABIDCHVQC-CSKARUKUSA-N	322.176	3.836	50	40	DHGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	65999237	RCPDBYZAZOJPOU-LGMDPLHJSA-N	316.360	3.553	50	40	DHGB	
O=C1C=CC(=Nc2ccc(N(CCCl)CCCl)cc2)C=C1	4774365	LUKFYERPDCANBJ-UHFFFAOYSA-N	323.223	3.738	50	40	DHGB	
N#C/C(=C1/C(=O)Nc2ccc(F)cc21)c1ccc2ccccc2n1	12524268	ORWNLPAQSUAESP-JXAWBTAJSA-N	315.307	3.760	50	40	DHGB	
CC[C@H]1[C@@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	35330262	PJOLEJUYCOOOJH-XPKDYRNWSA-N	308.429	3.795	50	40	DHGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1O	51011880	GIAGMVUHDSEPRQ-JYRVWZFOSA-N	305.337	3.650	50	40	DHGB	
O=C(O)[C@H](Br)Cc1ccc(Oc2ccccc2)cc1	225012671	LNUYFAMNHHNFOS-CQSZACIVSA-N	321.170	3.870	50	40	DHGB	
O=C(CCCl)Nc1ncc(Cc2cccc(Cl)c2)s1	4524891	GAZBBACUONKWQI-UHFFFAOYSA-N	315.225	3.955	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C)c(C)c1	5684065	VEBHSGXYFKPBGH-AQOSXKMFSA-N	306.409	3.947	50	40	DHGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1	16439097	PTJADSTWYHFSBY-FMIVXFBMSA-N	312.756	3.786	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c(C)c1	59475004	RWVLNGLPXVVZGS-DHDCSXOGSA-N	321.336	3.757	50	40	DHGB	
N#CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100704668	HYCVQYHHNVYMQK-UHFFFAOYSA-N	316.364	3.894	50	40	DHGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(C#N)[C@@]3(C)CC[C@@H]21	104044999	JLKBXDGMZFCRPY-HVTWWXFQSA-N	311.425	3.806	50	40	DHGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(Cl)s2)cc1	408967010	PELZNRGJAFXSBV-SXGWCWSVSA-N	323.805	3.956	50	40	DHGB	
CCCCCc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1	6310285	NIQVVJSNOITPBL-RCCKNPSSSA-N	309.413	3.968	50	40	DHGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(F)cc1	6471297	LQFXUCNDWGGSPQ-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	112667	AWEHFCDNVFQYBS-DJKKODMXSA-N	318.163	3.629	50	40	DHGB	
C=CCn1cc(/C=N/NC(=O)c2cccs2)c2ccccc21	566221	PLHIEAIGDMRGNI-WOJGMQOQSA-N	309.394	3.653	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1	12447808	VVQVJJNBRNRQMB-VBKFSLOCSA-N	305.381	3.607	50	40	DHGB	
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	13116434	NQLGNUDZYAUBPL-GHJWDPDVSA-N	320.421	3.588	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1	20194714	JMNVIOCZQGHLCB-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	172691011	MBDVDVSLQGLSBH-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1	348484	RDMPFGRXTJLVOB-UHFFFAOYSA-N	319.773	3.813	50	40	DHGB	
O=C(N/N=C/c1ccco1)c1ccc(OCc2ccccc2)cc1	544780	XOBYUCQAJLNEMX-DEDYPNTBSA-N	320.348	3.623	50	40	DHGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)n1	1803202	HUEVWVULYJLXRN-FOWTUZBSSA-N	319.364	3.501	50	40	DHGB	
COC(=O)/C(C#N)=C1/C=C(c2ccccc2)Oc2ccc(C)cc21	1916618	SCCWESIYMVMUPO-ICFOKQHNSA-N	317.344	3.879	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc(OCC)c(OCC)cc1Cl	2799608	BKHDZCQEYLOIHZ-KPKJPENVSA-N	323.776	3.607	50	40	DHGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1Cl	6901008	HRIBGPFXOLCSHT-FZHYZTHSSA-N	302.805	3.942	50	40	DHGB	
COc1ccc(NC(=O)CCCC[C@H]2CCSS2)cn1	27332079	HVYMKYDBDSFMBZ-LBPRGKRZSA-N	312.460	3.743	50	40	DHGB	biogenic
C/C(=N/NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@H]2CC[C@H]1C2	106271676	JTXMUFJZYYCMDM-XRBIIMJZSA-N	306.793	3.588	50	40	DHGB	
O=C(CCCl)Nc1ccc(NC(=O)c2ccccc2)cc1	4904110	XJRIVXORCVOJTE-UHFFFAOYSA-N	302.761	3.506	50	40	DHGB	
C[C@H](Br)C(=O)c1cc(Br)ccc1F	71790232	IDLKFIBLUABZAO-YFKPBYRVSA-N	309.960	3.554	50	40	DHGB	
O=C(Cl)[C@@H](N[C@H](C(=O)Cl)c1ccccc1)c1ccccc1	228946000	YXIVQOJLTVTNOC-KBPBESRZSA-N	322.191	3.589	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccs1	356805	NMCBXOWAKRJUEJ-WOJGMQOQSA-N	310.378	3.674	50	40	DHGB	
O=C(NCCc1ccc(Cl)cc1)[C@@H](Cl)c1ccccc1	13945894	OZQMXNGKKSDYAU-HNNXBMFYSA-N	308.208	3.979	50	40	DHGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(C)cc1	14003068	NEGBLJYGHFLIDF-CPNJWEJPSA-N	300.789	3.731	50	40	DHGB	
CCN1c2ccccc2C=C[C@H]1C(=C(C#N)C#N)C(F)(F)F	16681648	DMTPARLCHQMTHK-AWEZNQCLSA-N	303.287	3.814	50	40	DHGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccccc1F	19824616	PZBAHHBCMZITOA-NTUHNPAUSA-N	316.339	3.834	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1F)c1ccccc1	57395754	RGIQTVHTEHQQRQ-ZENNRRHLSA-N	312.319	3.749	50	40	DHGB	
CC1(CC(=O)NN=C2CCCCCCCCCCC2)OCCO1	59418809	MTKWBVFEIWHJGX-UHFFFAOYSA-N	324.465	3.916	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	59432858	STLISWFWPWBYGW-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
O=C(CBr)Nc1ccc(C(F)(F)F)cc1Cl	165620	ZNBYXBARMMVBCE-UHFFFAOYSA-N	316.504	3.692	50	40	DHGB	
CO[C@H](C(=O)N/N=C/c1ccc2ccccc2c1)c1ccccc1	3167237	MOXZSBRJSQSTGT-ORTNRGLGSA-N	318.376	3.678	50	40	DHGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	15219364	DPSVSFFBKWGLII-VBKFSLOCSA-N	306.365	3.939	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	5131064	XARQGWXOAPEXOI-UKTHLTGXSA-N	312.756	3.894	50	40	DHGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	78326105	UGXUTQLMCWJHHI-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1cccs1	16786	AITXKEHBSVDNOZ-MRXNPFEDSA-N	306.390	3.913	50	40	DHGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(F)cc1	221838	JNPUNAOLISBEIH-VXLYETTFSA-N	316.401	3.518	50	40	DHGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc(Br)cc1	1673104	WAFZFLUUMAGCOR-CSKARUKUSA-N	317.142	3.588	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)s1	7993728	UPJCJQLNPHAOPV-LZYBPNLTSA-N	324.858	3.952	50	40	DHGB	
CC1=C(C#N)C(c2ccccc2C(F)(F)F)C(C#N)=C(C)N1	19690567	VXZIRVMTQRZCOY-UHFFFAOYSA-N	303.287	3.987	50	40	DHGB	
CCc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1	20190863	OIUZJOQLOCDDOF-UHFFFAOYSA-N	323.845	3.831	50	40	DHGB	
CO[C@H](C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1	38823261	ZENGFAGEIYXKLW-ORTNRGLGSA-N	318.376	3.678	50	40	DHGB	
Cc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1	101927015	IBWUYGNDKSALEP-STZFKDTASA-N	302.377	3.841	50	40	DHGB	
CC(C)(C)c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	138584058	KSJIFSAVFIDVTD-BKUYFWCQSA-N	312.388	3.816	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C	223229251	BFMJBHVDVLOPBV-GOEBONIOSA-N	317.477	3.636	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	580352	XFCLUVIWRQQLPP-SFQUDFHCSA-N	307.349	3.736	50	40	DHGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	7157416	JTKCKIZAUNNDSE-GHRIWEEISA-N	316.360	3.553	50	40	DHGB	
Cc1cc(NC(=O)N/N=C\c2ccco2)ccc1Br	34882205	ZBRQLSDDBZRCJC-NVNXTCNLSA-N	322.162	3.506	50	40	DHGB	
COc1ccc(C(=O)CCCCCBr)c(OC)c1	139764838	UWHCAOHDPZGFDR-UHFFFAOYSA-N	315.207	3.842	50	40	DHGB	
COc1cc(C)c(/C=N/NC(=O)c2ccccc2)cc1C(C)C	6188654	XEELMCUMQALHSS-UDWIEESQSA-N	310.397	3.891	50	40	DHGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1O	408746968	XLGPQRNVWVCEFB-ATVHPVEESA-N	318.376	3.975	50	40	DHGB	
Cc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1	54739	IJQJPPVQFKWAPJ-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
N#C/C(=C\N=C(/S)c1ccncc1)c1nc2ccccc2s1	22913078	SAJLUEONNSGLNE-ZRDIBKRKSA-N	322.418	3.932	50	40	DHGB	in-vitro
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccccc1	28356287	NZXXHLOICFAKHL-JLHYYAGUSA-N	314.291	3.834	50	40	DHGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#N	70669908	JYCSLUASXDFIEL-JBKQDOAHSA-N	313.441	3.773	50	40	DHGB	biogenic
COc1ccc([C@@H]2CC(O)=C(C#N)c3nc4ccccc4n32)cc1	102930741	WNHYYKIXRIZHJW-KRWDZBQOSA-N	317.348	3.831	50	40	DHGB	
O=C(CCl)Nc1ccc2oc(-c3ccccc3F)nc2c1	216854275	VFAQGAWLIKYYEN-UHFFFAOYSA-N	304.708	3.811	50	40	DHGB	
O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1cccs1	521018	OBXJAFXYJIYLRC-JTQLQIEISA-N	310.831	3.726	50	40	DHGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1F	3264798	LDBDXADOVLBDSA-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
O=C(Cc1ccc(Cl)cc1)N/N=C\c1c[nH]c2ccccc12	5517885	CJIOGAZAFHGGEP-JAIQZWGSSA-N	311.772	3.514	50	40	DHGB	
CCC/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)cc1	16611436	ZJLAJMUQBOVYMW-XDJHFCHBSA-N	301.777	3.669	50	40	DHGB	
Cc1ccc(-c2nc3ccc(NC(=O)CSC#N)cc3o2)cc1	216857073	DCHPQIDXHZKYDN-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	8718434	ZGXYQXBGXRUYFU-DHZHZOJOSA-N	307.758	3.509	50	40	DHGB	
CC(/C=N\NC(=O)COc1cccc(C)c1C)=C\c1ccccc1	30838793	VOPDIPASOPZMEP-NQNNONOWSA-N	322.408	3.888	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	33651387	GHORIFJVNGVMQK-YBEGLDIGSA-N	306.365	3.863	50	40	DHGB	
O=C(Cl)c1ccc(OC(F)(F)F)c(Br)c1	71790067	NCUJEFXFJWHBMH-UHFFFAOYSA-N	303.461	3.727	50	40	DHGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	95521	WBUJSMRPJBTIGG-QGMBQPNBSA-N	323.179	3.771	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2)cc1	4722735	RUNWKCUANZTGMR-GXDHUFHOSA-N	310.328	3.770	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)Cc2c(F)cccc2Cl)s1	15924982	ZRAHAUFWPFXCKS-CAOOACKPSA-N	310.781	3.542	50	40	DHGB	
N#CC1=C(SCCc2ccccc2)NC(=O)C[C@@H]1c1ccco1	409130642	XACKZKBBIRXAQZ-AWEZNQCLSA-N	324.405	3.594	50	40	DHGB	
C[C@H](Cl)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	3269831	BLOXIDYZMHFRLV-LURJTMIESA-N	302.733	3.654	50	40	DHGB	
CCOP(=O)(OCC)/C(=C/OCCBr)CC	13739091	LBTBMODYDAYXHZ-MDZDMXLPSA-N	315.144	3.915	50	40	DHGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1O	15219925	WUXKHXFSVIYVSH-DHDCSXOGSA-N	322.364	3.563	50	40	DHGB	
C[C@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C)C1(O)C#N	97949705	HTJJHIYXGFLKJV-GCTVEYNFSA-N	306.409	3.599	50	40	DHGB	
C/C(=N\NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc2ccccc2c1O	102061600	KTCMMLGFFMETED-UQKXMBGOSA-N	322.408	3.822	50	40	DHGB	
CCCC/C(C)=N/NC(=O)CCC(=O)Nc1ccc(C)c(C)c1	4525817	YHSWRIXSURLNIV-HMMYKYKNSA-N	317.433	3.704	50	40	DHGB	
N#C/C(=C\C=C\c1ccccc1)C(=O)NCCc1ccccc1	7158661	JAIQZKLVUAMCKM-CLHQEALVSA-N	302.377	3.509	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1O	105989301	BEZIALSIWUZBHI-CIAFOILYSA-N	318.376	3.926	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Cl	408882650	PXQMOXFJESBRBP-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
O=C(N/N=C/c1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2	3909353	SFBJZPLAZOYYBA-WSDLNYQXSA-N	321.424	3.834	50	40	DHGB	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1	54841872	PBWZSDIOLJDPMF-WQLSENKSSA-N	308.303	3.671	50	40	DHGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1CCCC/C1=N\O	102962072	MQZLYRPLRQCPEH-SELCWUDQSA-N	313.337	3.773	50	40	DHGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)COc1ccccc1	408833180	ZPORXUQCGXCQAH-LTGZKZEYSA-N	324.424	3.925	50	40	DHGB	
C=C(C)C(=O)OCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	627276239	OVOPQWWSVUVDTR-UHFFFAOYSA-N	324.462	3.959	50	40	DHGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	512506	WVYFOZXNLKFDAT-FYJGNVAPSA-N	305.381	3.620	50	40	DHGB	
O=C(C(Cl)Cl)N1c2ccccc2OC[C@@H]1c1ccccc1	1392392	WTYYCRKMUKXOSB-CYBMUJFWSA-N	322.191	3.957	50	40	DHGB	
FC(F)(F)C(F)(F)CCCCI	66325900	LGOVMEORCBKCPY-UHFFFAOYSA-N	302.024	3.789	50	40	DHGB	
COc1cccc(-c2nc3ccc(NC(=O)CCl)cc3o2)c1	216856850	WZGZDRWMIJSTQE-UHFFFAOYSA-N	316.744	3.681	50	40	DHGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C(C)(C)C)cc1	14134712	SYWBIXGWYKLANE-ALDSOSFCSA-N	324.424	3.558	50	40	DHGB	
Cc1sc(-c2ccco2)nc1C(=O)NNc1ccc(F)cc1	40068188	JGTQMMXTAXQDTO-UHFFFAOYSA-N	317.345	3.608	50	40	DHGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2C(C)=CC1(C)C	208518772	RHBFOZUNHWMMCJ-SXGWCWSVSA-N	323.440	3.670	50	40	DHGB	
N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1ccc(F)cc1	408891988	WUUAJJUTZUGASJ-YRNVUSSQSA-N	316.719	3.730	50	40	DHGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Cl)s1	533059	ZJMQWWMXBGWLEW-CAOOACKPSA-N	322.817	3.547	50	40	DHGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccs2)cc1	1319465	YRWMYMKQUGLLGB-VBEHJTROSA-N	316.426	3.791	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	5130462	CSAOJUYWYUGPLB-COYFKBPASA-N	320.392	3.870	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)cc1	6957077	UFVXDWXSHKBDBI-PTNGSMBKSA-N	321.336	3.703	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OC(C)C)c(C)c1	20194915	DUEVVSIEVFLIJA-FYJGNVAPSA-N	324.424	3.783	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	67190153	SYVYNCZNSBJASC-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
N#CC(C#N)=CNc1ccc(NC(=O)c2ccco2)c(Cl)c1	79840769	UUUNUISMQXBGMX-UHFFFAOYSA-N	312.716	3.528	50	40	DHGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	5431723	OLESPMCEGFNLKB-XDHOZWIPSA-N	316.788	3.893	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	5698453	XOMCAWCJNJBXAZ-SRZZPIQSSA-N	320.314	3.707	50	40	DHGB	
O=C(Cc1ccccc1)N/N=C/c1c(Cl)cccc1Cl	50941	MMIHGTDFUUBKTL-VCHYOVAHSA-N	307.180	3.686	50	40	DHGB	
O=C(NNC(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1	2022299	CWBUWVOINGANBD-UHFFFAOYSA-N	324.767	3.568	50	40	DHGB	
CC(C)(C)OC(=O)Nc1ccc(C(=O)CBr)cc1	2599168	MNEQGZINEZEYDO-UHFFFAOYSA-N	314.179	3.611	50	40	DHGB	
COc1ccc(C(=O)NN=C2CCCCCCC2)cc1OC	5676097	DDIZFZNEBUDCKW-UHFFFAOYSA-N	304.390	3.534	50	40	DHGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)C[C@@H](C)O2	37133314	NKAHIHLIVCTDQP-RQNDZEIBSA-N	318.376	3.864	50	40	DHGB	
CCOc1ccc2oc(C(=O)N/N=C\C=C\c3ccco3)cc2c1	38182246	XLVKWXHJRUVHKR-YESCTYCLSA-N	324.336	3.854	50	40	DHGB	
ClCCN(CCCl)Cc1nc2cc3ccccc3cc2[nH]1	50704672	IAYXXAFMHAXINH-UHFFFAOYSA-N	322.239	3.996	50	40	DHGB	
CCOc1ccccc1N/C=C(\C#N)C(=O)Nc1ccccc1	57413926	OTZQGJZHLBQBHN-BUHFOSPRSA-N	307.353	3.543	50	40	DHGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1	6935341	BRFPDHRFDYJAJU-DTQAZKPQSA-N	312.413	3.831	50	40	DHGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/C(C)(C)CCC#N	408720215	VZXHFJSMKFPFJU-NFECSFHCSA-N	317.458	3.740	50	40	DHGB	
COc1ccc(CSCC(=O)NN=C2CCCCCC2)cc1	408860714	CLVSZEOLYKFNQM-UHFFFAOYSA-N	320.458	3.755	50	40	DHGB	
C[P@](=S)(c1ccccc1)[P@@](C)(=S)c1ccccc1	161706	LHNGNWXNQAEZLR-HOTGVXAUSA-N	310.364	3.771	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	520065	DSHHVCFUOICRBB-XNTDXEJSSA-N	312.344	3.703	50	40	DHGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3cccnc23)cc1	3266538	FRFLZOOMWROOSV-UHFFFAOYSA-N	308.293	3.671	50	40	DHGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccccc1Br	5417634	FZFFVMRPYYKQTI-OQLLNIDSSA-N	313.195	3.698	50	40	DHGB	
CO[C@H](C(=O)N/N=C(\C)c1cc(C)ccc1C)c1ccccc1	408720247	WROOSMQFAABNMU-XTFSCAMASA-N	310.397	3.531	50	40	DHGB	
O=C(N/N=C\c1cccc(O)c1)c1cc2cc(Cl)ccc2o1	409023879	LWSXGQWKQZAAOQ-NVMNQCDNSA-N	314.728	3.556	50	40	DHGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(F)cc1	3572334	AUDXALNWXHTQAK-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1F)c1nc2ccccc2[nH]1	3902592	ARXFSECDKMXHTC-YRNVUSSQSA-N	308.272	3.674	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(C)o1	6503994	NAFAIAFSEHEEBS-YBFXNURJSA-N	308.337	3.514	50	40	DHGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2	13302806	SNTHDRSKIGSULW-FMIVXFBMSA-N	311.366	3.994	50	40	DHGB	
O=C(N/N=C\c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	32184225	MQNNDIHVXJKRMV-UNOMPAQXSA-N	319.320	3.512	50	40	DHGB	
CCCCCC/C=N/NC(=O)c1ccc(Br)o1	97941792	QLUIGMUZZSTJHN-NTEUORMPSA-N	301.184	3.728	50	40	DHGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	192553955	VZPRGIWMAVOMTL-LCYFTJDESA-N	312.756	3.900	50	40	DHGB	
O=C(NCc1ccco1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl	159181	FTFGGNSYSXCJMV-UONOGXRCSA-N	324.207	3.656	50	40	DHGB	
Cc1csc(/C(C#N)=C/c2ccc(N(C)CCC#N)cc2)n1	8207364	RNKBDDBOSDOQKB-XNTDXEJSSA-N	308.410	3.866	50	40	DHGB	
Cc1nc(C)c(C(=O)NNc2ccccc2C(F)(F)F)s1	45480740	YRZGGALWXWBJDZ-UHFFFAOYSA-N	315.320	3.536	50	40	DHGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)c1	58601833	WHILNJKZLUIAHO-DHDCSXOGSA-N	321.336	3.757	50	40	DHGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	206116451	QIBHQXGRWILRPG-PDGQHHTCSA-N	320.392	3.697	50	40	DHGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1	409368878	QTSAYWLJPLHMGT-LBPRGKRZSA-N	323.318	3.883	50	40	DHGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nn1c(C)ccc1C	409381844	KBGGPZOHAVTOHY-XNTDXEJSSA-N	318.380	3.572	50	40	DHGB	
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1	2743421	HMFPMGKEJYODAY-JXMROGBWSA-N	306.243	3.844	50	40	DHGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc(F)cc3)nc2c1	4121457	RVVPZOZKCRWJOE-UHFFFAOYSA-N	315.373	3.809	50	40	DHGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C	6539506	DQABRAFWARXMCK-QYPACOJMSA-N	312.413	3.687	50	40	DHGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2-n2cccc2)s1	67197108	HDVRIXGPUAEODV-PDGQHHTCSA-N	309.394	3.611	50	40	DHGB	
C/C(=N\NC(=O)C(F)(F)F)c1ccc(-c2ccccc2)cc1	5008389	GSJDXBZDRVKHPO-RGVLZGJSSA-N	306.287	3.756	50	40	DHGB	
C[C@@H](Br)C(=O)c1ccc(F)c(Br)c1	71790235	CXDBKBJBCQCMEM-RXMQYKEDSA-N	309.960	3.554	50	40	DHGB	
CCCN(C(=O)CCl)c1ccc(OC)c(C(F)(F)F)c1	199755315	GBSNKYJNEJPRRK-UHFFFAOYSA-N	309.715	3.696	50	40	DHGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1C	408781997	FEKKSFJDZJXBCO-ZROIWOOFSA-N	313.788	3.841	50	40	DHGB	
O=C(Nc1ccccc1Cl)[C@@H](Cl)C(=O)c1ccccc1	363053	NUOZMSCRISOLGL-ZDUSSCGKSA-N	308.164	3.769	50	40	DHGB	
Cc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19818643	WIENPEIVMXUIDJ-FUHWJXTLSA-N	314.392	3.589	50	40	DHGB	
CCCC(CCC)=NNC(=O)c1c(C)nc2ccc(C)cn12	59444061	JDHYIVFSOPASTF-UHFFFAOYSA-N	300.406	3.637	50	40	DHGB	
O=C(NCc1ccco1)NN=C1c2ccccc2-c2ccccc21	64912749	SGMXIIDNMBEPMQ-UHFFFAOYSA-N	317.348	3.512	50	40	DHGB	
BrCCOc1ccc(-c2nc3ncccc3o2)cc1	96345793	GTVGEZHGHDTWHL-UHFFFAOYSA-N	319.158	3.664	50	40	DHGB	
CCCCCc1ccc([Si](OCC)(OCC)OCC)cc1	204503954	OIFCPOHZTJCYQI-UHFFFAOYSA-N	310.510	3.675	50	40	DHGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1	31815	AZVMULWBHIGBEF-IBGZPJMESA-N	318.376	3.590	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2csc3c2CCCC3)s1	2767601	TZJDYQLGTHSEEK-LZYBPNLTSA-N	304.440	3.761	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1ccc(Cl)cc1	3335972	QAVNFLXPWBXWOQ-MDWZMJQESA-N	300.745	3.739	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1	7385740	WHZGVPYEZPQJDM-RCCKNPSSSA-N	321.424	3.613	50	40	DHGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc2c(c1)OCO2	58166997	PZZVTZBGKOSSOS-MLPAPPSSSA-N	311.724	3.859	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(OC)c1	59133199	PNCGEXNAGSHASI-GDNBJRDFSA-N	322.364	3.558	50	40	DHGB	
C[C@@H](Oc1ccc(/C=C(/C#N)c2ccc(F)cc2)cc1)C(=O)O	59249172	OPOZQGXGTXQVQE-DYTQJMLRSA-N	311.312	3.742	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2C)cc1	408745526	NIJLSENQYNREMW-PTNGSMBKSA-N	322.364	3.558	50	40	DHGB	
Cc1c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc2n1C	408868348	MENAGLHKVJWMAX-LDEZXBAHSA-N	323.440	3.763	50	40	DHGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cccc2ccccc12	487194	JCVFVQQMOHTUBR-WSDLNYQXSA-N	321.355	3.541	50	40	DHGB	
CCc1ccc([C@@H](NC(=O)CCl)c2cccc(F)c2)cc1	4206622	FPWPSXLKJAAIPO-QGZVFWFLSA-N	305.780	3.833	50	40	DHGB	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(C)cccc1C	4405704	RUOOOCUEBQKNAB-SQWDPEPJSA-N	322.408	3.888	50	40	DHGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccc(Cl)cc1	4579670	DMJFWHWRDKUWNG-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
C[C@H](/C=N/NC(=O)N/N=C\[C@H](C)c1ccccc1)c1ccccc1	5515394	AWONZIXXDJSYGN-CDTAAWGVSA-N	322.412	3.865	50	40	DHGB	
C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccncc1	7994895	ATHUZVNIPHJQLE-FYJGNVAPSA-N	311.429	3.528	50	40	DHGB	
Cc1c(C(=O)NN=C2CCCCCCC2)cccc1[N+](=O)[O-]	408861794	AOAITYRCOYMALS-UHFFFAOYSA-N	303.362	3.733	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)C)c2C)cc1	4561426	RVFWGTUZHNRLQV-WOJGMQOQSA-N	321.424	3.834	50	40	DHGB	
C[C@@H]1C[C@H](c2cccnc2)N(C(=O)C2CCC(Cl)CC2)C1	1528101659	ZJNHHJIESZDZOT-FKFRUQKQSA-N	306.837	3.789	50	40	DHGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1O	1410711	OUQFIJROWVAJRH-XNTDXEJSSA-N	322.364	3.563	50	40	DHGB	
O=C1C(Br)=C(CCCCl)C(=O)c2ccccc21	2306163	KVVXPNDNWIESSR-UHFFFAOYSA-N	313.578	3.734	50	40	DHGB	
CC(/C=N/NC(=O)CNc1ccccc1C)=C\c1ccccc1	13897554	WZNWISJAUKDINV-XLLHXKPXSA-N	307.397	3.612	50	40	DHGB	
COc1c(Cc2ccccc2)cc([N+](=O)[O-])cc1C(=O)Cl	57352749	UDUSLEMDNWNMOO-UHFFFAOYSA-N	305.717	3.573	50	40	DHGB	
ClCCSCc1cc2c(cc1Br)OCO2	1682717	LOEBWURPDFTZDC-UHFFFAOYSA-N	309.612	3.650	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)s1)[C@@H]1C[C@H]1c1ccccc1	6340431	WOVUUKFCTBBDTC-YDCWUURFSA-N	304.802	3.655	50	40	DHGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccc(Cl)cc1	408849974	BZDBOMWAKWTQJE-DEDYPNTBSA-N	323.783	3.895	50	40	DHGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1	4950489	SXJYDTWWOPGZFP-IXDXWPIFSA-N	322.364	3.957	50	40	DHGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1cccc(F)c1	4121353	HWKLLJOZDVDHGB-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
COc1cccc(C(=O)N/N=C/c2cccc3ccccc23)c1	5720973	LTKITODXOSNXFP-DEDYPNTBSA-N	304.349	3.612	50	40	DHGB	
ICCCCCOCc1ccccc1	39175196	ILPCYNORQDMEII-UHFFFAOYSA-N	304.171	3.809	50	40	DHGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccs2)cc1	101155	ZCKXVDCDOMRDIV-WOJGMQOQSA-N	316.426	3.575	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	5316750	SZFXLQXNFALWDT-FGCHFJFUSA-N	322.408	3.729	50	40	DHGB	
COC(=O)c1ccc(Cl)c(-c2ccc(C=C(C#N)C#N)o2)c1	16194128	YKSYRHYGQQAQOL-UHFFFAOYSA-N	312.712	3.817	50	40	DHGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)OC)ccc21	20215162	COEAVMRYPYRJPP-GXDHUFHOSA-N	304.349	3.894	50	40	DHGB	
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C(C#N)C#N	125654	GWILRMQDWGFRPI-UHFFFAOYSA-N	317.396	3.602	50	40	DHGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)Nc1ccccc1	349212	MZNACYGAPIIAEV-XDHOZWIPSA-N	305.337	3.701	50	40	DHGB	
CCCC1CCC(=NNC(=O)Cc2ccc(OC)cc2)CC1	5457092	LIFDEZMEXIONJA-UHFFFAOYSA-N	302.418	3.700	50	40	DHGB	
O=C(N/N=C/c1c(F)cccc1Cl)[C@@H]1C[C@@H]1c1ccccc1	5947863	DXIHXYNLXYYGRG-HVHIRKTFSA-N	316.763	3.733	50	40	DHGB	
Cc1cc(/C=N/NC(=O)CC(C)C)c(C)n1-c1ccccc1F	20247459	UCQPNSLIJQTZAG-RGVLZGJSSA-N	315.392	3.729	50	40	DHGB	
N#C/C(=C/c1cccs1)S(=O)(=O)c1ccc(Cl)cc1	32171032	ZYOKZRRZBHAMJD-JYRVWZFOSA-N	309.799	3.740	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)cc1	408771509	IQZVINDRCJSAQZ-BOPFTXTBSA-N	307.397	3.750	50	40	DHGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1	278824	YRHOURFJUOSMPW-LBPRGKRZSA-N	318.829	3.988	50	40	DHGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	498146	ZRDZEMHYXXCVPN-WOJGMQOQSA-N	302.761	3.503	50	40	DHGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1-n1cccc1	3468690	DLVIZHBMSAITAK-LDADJPATSA-N	309.394	3.611	50	40	DHGB	
CC/C(C)=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	4155209	PPYYNGXUFRMDPW-VKPPLCHCSA-N	303.189	3.663	50	40	DHGB	
CC[C@H](C)Oc1ccccc1/C=N/NC(=O)c1cccc(C)c1	408604514	UZXBKKADGYBCKI-NPRIEWAGSA-N	310.397	3.936	50	40	DHGB	
CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178619	UBWZFURPGMGOMT-CALCHBBNSA-N	322.880	3.563	50	40	DHGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408583630	VXMRZVPIKVPAGF-SFQUDFHCSA-N	319.360	3.780	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c(C(C)C)c1	408981156	ZXCBNGWHBKPLJV-CXUHLZMHSA-N	323.396	3.879	50	40	DHGB	
CCOC(=O)/C(C#N)=C(C)/C=C1\Sc2ccccc2N1CC	4595367	XLNPTJJCJANNSD-JJUTUZPASA-N	314.410	3.863	50	40	DHGB	
C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)C(C)C	4647038	PCUCIMAPCDYYIC-QGOAFFKASA-N	310.825	3.956	50	40	DHGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	4775547	XFCLUVIWRQQLPP-ATVHPVEESA-N	307.349	3.736	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Cc2ccc(OC)cc2)C1	12403940	RAKGCRPEWOOAFK-IGGDJGDASA-N	312.413	3.642	50	40	DHGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C\C=C\c2ccccc2)cc1	12461717	MGSQKWAXSVOLCT-JWPZJHRQSA-N	308.381	3.578	50	40	DHGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	15222072	FXEJWWROTJYNDU-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@@H]1c1ccc(F)cc1	17185931	BHCJDTXVFHJAJD-SFHVURJKSA-N	318.351	3.991	50	40	DHGB	
C/C(=N/NC(=O)c1cccs1)c1ccc(OC(F)F)cc1	38204474	UGSNMANDYUNOAQ-MFOYZWKCSA-N	310.325	3.504	50	40	DHGB	
COc1cc(C)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	78326004	KCZRTCDVDODVRD-ZROIWOOFSA-N	319.364	3.953	50	40	DHGB	
CC1=C(/C=C/C(C)=N/NC(=O)c2cnccn2)C(C)(C)CCC1	96297777	BESABQNMQHJISH-DBVLCOFHSA-N	312.417	3.665	50	40	DHGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cccs1	409197989	TXFNKLKSCYRHPJ-XYOKQWHBSA-N	302.786	3.625	50	40	DHGB	
O[C@@]1(c2ccccc2)c2ccccc2CC[C@@H]1Br	1685764	NLBFMLNSNADFLQ-HOTGVXAUSA-N	303.199	3.632	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])c1OC	2638068	HLWURNPYKMJJGN-JLHYYAGUSA-N	310.309	3.676	50	40	DHGB	
COc1ccc(C(=O)N/N=C/C(C)=C/c2ccccc2)cc1OC	4646921	ALVVCWPXXOKABF-NKSMKPMTSA-N	324.380	3.523	50	40	DHGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)cc1	5682970	ABNMUSIRQJSXLY-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	5997310	BUZCZLIQRKGCCT-KAMYIIQDSA-N	310.328	3.770	50	40	DHGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1	15219464	XDDACYFWGCLITL-WJDWOHSUSA-N	306.365	3.858	50	40	DHGB	
CCOC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	71328732	RFLYNHQNQYDULB-UDWIEESQSA-N	321.380	3.770	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1C	409181944	GXKDHZSTVSNBGQ-CIAFOILYSA-N	319.408	3.786	50	40	DHGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)C3CC3)ccc21	5823314	ZAEMGMGVTCCUIA-UDWIEESQSA-N	305.381	3.675	50	40	DHGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccs1	7993666	WKUNFUNDIXSZTB-OVCLIPMQSA-N	310.831	3.644	50	40	DHGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1	60132521	MVFBUEAWIWJWCR-JYRVWZFOSA-N	312.756	3.900	50	40	DHGB	
Cc1ccc(SCCC(=O)N/N=C/c2sccc2C)cc1	409135270	UDFBOCODCOPLES-GZTJUZNOSA-N	318.467	3.997	50	40	DHGB	
O=C(N/N=C\c1ccc(Sc2ccccn2)o1)c1ccccc1	4517863	GXGIEUFHYHBKET-UNOMPAQXSA-N	323.377	3.590	50	40	DHGB	
O=C(OC(CCl)CCl)[C@@H]1CC[C@@H]2[C@H](C1)C2(Cl)Cl	5376688	JPYVZIVSPZMBKG-VDAHYXPESA-N	320.043	3.596	50	40	DHGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1ccccc1F	6453579	QSJODKYJMBHVHG-JYRVWZFOSA-N	313.328	3.916	50	40	DHGB	
CCCSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)CC(=O)N1	8994460	NHBYWRHMLLBMPF-CQSZACIVSA-N	316.426	3.567	50	40	DHGB	
Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1C	105062	XEFJFQNPFRCZHK-UHFFFAOYSA-N	302.333	3.572	50	40	DHGB	
Cc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2Cl)cc1	339627	GIMUPIFMIXPQMS-CVEARBPZSA-N	306.814	3.674	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)cc1	7164026	STELXPQRWWCYJR-GZTJUZNOSA-N	319.408	3.588	50	40	DHGB	
Cn1c(-c2ccccc2)c(/C=N/NC(=O)C2CC2)c2ccccc21	7779209	RBFMFKBIZJOQDG-FYJGNVAPSA-N	317.392	3.705	50	40	DHGB	
CN(C(=O)CCl)c1nc(-c2ccc(Cl)cc2)cs1	932744	NIHLHGBBRMTEPN-UHFFFAOYSA-N	301.198	3.665	50	40	DHGB	
O=C(CNc1cccc2ccccc12)N/N=C/C=C/c1ccco1	3086836	UIJKQFNYUUOXOV-FBOXBXQOSA-N	319.364	3.660	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c(C)c1	3213008	IPFXKPDJTZCEKW-SPJXWURQSA-N	323.352	3.641	50	40	DHGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1c[nH]c2ccccc12	36748214	LBJWRGVYEOYTQX-NTEUORMPSA-N	316.316	3.656	50	40	DHGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1Cl	17052212	YVGIIIAZUKNKCD-VTLGGBRFSA-N	312.800	3.984	50	40	DHGB	
O=P(NNc1ccccc1)(c1ccccc1)c1ccccc1	98008445	NOZRLALLGKNSAS-UHFFFAOYSA-N	308.321	3.532	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cccs2)cc1Br	408871962	ILAFAKVXTSADJF-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(C)cc2)C1	182590	VEDADSDCXQAJLF-IGGDJGDASA-N	312.413	3.778	50	40	DHGB	
Cc1cc(Cl)cc(C)c1OCC(=O)NNc1ccc(F)cc1	6547658	IKTJBWCJCPGIOW-UHFFFAOYSA-N	322.767	3.618	50	40	DHGB	
CC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	33355038	KAJKHIIEJCKTRG-UHFFFAOYSA-N	319.344	3.711	50	40	DHGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12	100176972	WCISRAYKVLSOCG-HUPWQOHGSA-N	322.408	3.822	50	40	DHGB	
COC(=O)[C@@H]1CCC[C@]23C[C@@H](C[C@@H]12)C(C)(C)[C@H]3Br	104127130	BRSKSAQQGYBNNN-CJWQTGLVSA-N	315.251	3.775	50	40	DHGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	47844	OUDFAJRLRQFLRD-CYBMUJFWSA-N	314.410	3.507	50	40	DHGB	
N#C[C@@H](I)C12CC3CC(CC(C3)C1)C2	86078	NEIBESZGZBHCSZ-LTMLNTECSA-N	301.171	3.530	50	40	DHGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(F)cc1	259470	ZTYVJNZBQYDHJO-AWQFTUOYSA-N	310.250	3.608	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2cc3ccccc3cc2O)cc1	311529	QYTOHTXKENOIJX-UDWIEESQSA-N	304.349	3.618	50	40	DHGB	
CCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	1957541	KTKFJZKHUYFQCL-XSFVSMFZSA-N	324.380	3.546	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)[C@H]1C[C@@H]2CC[C@@H]1C2	102334504	JTXMUFJZYYCMDM-MHVJSDIXSA-N	306.793	3.588	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(N)=S)c(C)n1-c1ccc(Cl)cc1	33490964	VUPSXRZUBMBJAV-MDWZMJQESA-N	315.829	3.941	50	40	DHGB	
Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)c(C)c1	148186	FCPPCZAYBDRYBB-UHFFFAOYSA-N	302.333	3.572	50	40	DHGB	
CC(=O)c1ccc(OCCCCCBr)cc1O	2565038	KKQNXTQWKYLGCC-UHFFFAOYSA-N	301.180	3.539	50	40	DHGB	
N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1	3021350	RCJKFXKPAYYJLJ-ZHACJKMWSA-N	306.281	3.713	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2sc3ccccc3c2O)cc1	3173752	JFMPZOBSATXUIK-VCHYOVAHSA-N	310.378	3.679	50	40	DHGB	
O=C(Cc1ccc2ccccc2c1)N/N=C/Cc1ccccc1	67351031	CCAKKUONXMSJDT-FYJGNVAPSA-N	302.377	3.727	50	40	DHGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	561560	MCBMAEAKDJPTRI-RVDMUPIBSA-N	322.364	3.725	50	40	DHGB	
CCCCCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1	2289187	PRNWBLHXIZNAER-RQZCQDPDSA-N	300.402	3.849	50	40	DHGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)C)cc2)cc1	5644472	VBCGPDDXNSRMFH-XSFVSMFZSA-N	310.397	3.973	50	40	DHGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	13576969	SAMVIELHZYEKNL-GXDHUFHOSA-N	302.337	3.585	50	40	DHGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N	70686554	IYGZSTAPMXRITM-UYEYMFBJSA-N	317.473	3.645	50	40	DHGB	biogenic
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C2	102250157	FMNLLNYWLXWVQC-MEFIAPBNSA-N	315.373	3.527	50	40	DHGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(F)(F)F)o1	409209708	HYQMEQRMLYVJKJ-CSKARUKUSA-N	320.270	3.618	50	40	DHGB	
FC(F)(Br)C(F)(F)CCCOCCCl	1083808061	ZENVDSUMQWYLPX-UHFFFAOYSA-N	301.505	3.645	50	40	DHGB	
N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCC2	1505975	ZROBWGKMOVQLEB-UHFFFAOYSA-N	322.437	3.512	50	40	DHGB	
C#CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	409357766	JUHLCWXXMKTXSM-WJDWOHSUSA-N	304.305	3.671	50	40	DHGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12402626	WAOMENQNPJZKOY-AWEZNQCLSA-N	304.802	3.555	50	40	DHGB	
C=CCn1c(C)c(/C=N/NC(=O)OC(C)(C)C)c2ccccc21	408821628	JMWGADRKRHTPFN-XDHOZWIPSA-N	313.401	3.994	50	40	DHGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1C	409053722	OSOBHMXGUVAIQH-VXLYETTFSA-N	316.788	3.729	50	40	DHGB	
O=C(NNc1ccc(F)cc1)c1cccc2c3c([nH]c12)CCCC3	40069334	IFMHIMHOOGUPTH-UHFFFAOYSA-N	323.371	3.943	50	40	DHGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)o1	59335170	LENQQFABDOHZAO-QINSGFPZSA-N	323.396	3.980	50	40	DHGB	
CC[C@]1(CBr)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Br	104134245	NKQQZBRYEZCKIP-OYBPUVFXSA-N	324.056	3.540	50	40	DHGB	
N#CSCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1	216857579	VECMHFSSIHIEOX-UHFFFAOYSA-N	309.350	3.648	50	40	DHGB	
CCOc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1	83292289	KHZPDLWREOZQDV-UNOMPAQXSA-N	308.337	3.595	50	40	DHGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)cc1	408774036	NYTJNMKNWUMPEO-YBEGLDIGSA-N	322.364	3.581	50	40	DHGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1C	408775283	PAYMJPGJQYUJMT-UDWIEESQSA-N	305.381	3.559	50	40	DHGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2cc(C)ccc2C)cc1	409363376	LLQWLSZQOIQSSD-LTGZKZEYSA-N	324.424	3.785	50	40	DHGB	
N#C/C(=C/c1ccc(Cl)s1)C(=O)NCc1ccccc1	209884877	BPLWUQMMYCMQGG-WQLSENKSSA-N	302.786	3.625	50	40	DHGB	
COC(=O)N/N=C(\C)c1ccc2ccccc2c1OC(F)F	5446524	GFAICPIOKVFZEI-GIJQJNRQSA-N	308.284	3.521	50	40	DHGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C)cc1C	5542230	UPULGZMUAHGMHN-SNXZXXCMSA-N	306.409	3.947	50	40	DHGB	
Cc1ccc(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1	95935854	KLWGWMIYMVGVJR-NDENLUEZSA-N	304.349	3.618	50	40	DHGB	
O=C(/C=C/c1cccc(Cl)c1)Oc1ccc([N+](=O)[O-])cc1	6888808	FLMLDAGTMUABFN-RUDMXATFSA-N	303.701	3.867	50	40	DHGB	
CC/C(=N\NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2	1005669	UIKFFEQERLDHHB-HEHNFIMWSA-N	311.429	3.794	50	40	DHGB	
N#CCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	16385141	NCCXGRDHZULVPY-QGMBQPNBSA-N	322.151	3.617	50	40	DHGB	
Cn1c(SCCCCl)nnc1-c1cc2ccccc2cn1	199766974	JRUFYEZDBSXOOA-UHFFFAOYSA-N	318.833	3.751	50	40	DHGB	
O=C(NCc1ccco1)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	159179	FTFGGNSYSXCJMV-KBPBESRZSA-N	324.207	3.656	50	40	DHGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc3ccccc3c2)cc1	225840	ZEFRXDCHJZLGFU-FYJGNVAPSA-N	318.376	3.677	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N)cc1	4579650	SYSNRSISNVVLCZ-FYJGNVAPSA-N	309.413	3.720	50	40	DHGB	
CC(C)(C)OC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	5496327	FLGHAWCHMYRHPE-GIDUJCDVSA-N	305.161	3.558	50	40	DHGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1[C@H]2CCCC[C@@H]12	17722738	LZEFTSFXJKGUHN-QZRNNFMYSA-N	311.212	3.880	50	40	DHGB	
Nc1c(Cl)cc(C(=O)CBr)cc1C(F)(F)F	39617250	DELZHBDHJNWKKY-UHFFFAOYSA-N	316.504	3.519	50	40	DHGB	in-vitro
COc1cccc(-c2nc3cc(NC(=O)CCl)ccc3o2)c1	216855302	GKRVRUUTCJICQC-UHFFFAOYSA-N	316.744	3.681	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C)cc2)cc1	2888443	SSJVYPBUJWOIDQ-GZTJUZNOSA-N	307.349	3.654	50	40	DHGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1cccc(F)c1	4121412	RMKNFNJBMHOUPU-UHFFFAOYSA-N	321.764	3.846	50	40	DHGB	
CCc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)s1	6124826	OCBIEMRNZSMHHY-LNKBOXHWSA-N	312.438	3.954	50	40	DHGB	
CN1/C(=C(\C#N)C(=O)c2ccc(Cl)cc2)Nc2ccccc21	11617369	QXRPPVBPLPCWNL-GHRIWEEISA-N	309.756	3.820	50	40	DHGB	
CCCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	12276344	WDUQDDYIRPGMRS-AWEZNQCLSA-N	316.426	3.567	50	40	DHGB	
O=C(N/N=C\c1cccn1-c1ccccc1)Nc1ccccc1	33328993	HURMBBODMZDKDB-RGEXLXHISA-N	304.353	3.633	50	40	DHGB	
Br[C@H]1C[C@@H]2c3ccccc3[C@H]1[C@@H]2Br	68571782	IOYZZQUDGDVQMG-LMLFDSFASA-N	302.009	3.798	50	40	DHGB	
CCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1	9110038	FQSZXNLVKYIQMT-AWEZNQCLSA-N	300.427	3.867	50	40	DHGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C2	20551688	FMNLLNYWLXWVQC-XGFMTVCLSA-N	315.373	3.527	50	40	DHGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3CC=C[C@H]23)c(C)n1-c1ccccc1	89580003	MOBPVRRYHFDDPE-JSJMYKNQSA-N	319.408	3.776	50	40	DHGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCO[C@@H]1C	92304696	KDEVVZJODCJLBX-ABAIWWIYSA-N	318.442	3.748	50	40	DHGB	
N#C/C(=C/c1cc2ccccc2o1)c1nnc2n1CCCCC2	96931575	LFHUYGLBHVEPEF-KAMYIIQDSA-N	304.353	3.815	50	40	DHGB	
CCOC(=O)NC1=C(C#N)[C@@H](c2ccccc2)c2ccccc21	1701042	FCBVULRBGFKGSC-KRWDZBQOSA-N	304.349	3.813	50	40	DHGB	
Cc1ccc(C2=NN(C(=O)CCl)[C@H](c3cccs3)C2)o1	4204668	ISRQYFYSTSQAMW-NSHDSACASA-N	308.790	3.566	50	40	DHGB	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c(OC)c1	9668278	LXFHMKPJARMVRG-MHWRWJLKSA-N	307.349	3.802	50	40	DHGB	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(F)cc1	13208193	GDWMWCZTIPYPRM-MRXNPFEDSA-N	317.323	3.592	50	40	DHGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2C)c1	20787019	NQGWZFIGTGMMOG-MHWRWJLKSA-N	306.365	3.858	50	40	DHGB	
C=CCOc1cccc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1	20194853	GPYQZCHUOYLCFX-KGENOOAVSA-N	322.408	3.561	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2C)cc1	59158146	WFWLXNAICDQJRI-KGENOOAVSA-N	321.424	3.668	50	40	DHGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	196758	YPUXHMRFHYJRLN-SFHVURJKSA-N	305.381	3.610	50	40	DHGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(C)cc2)cc1C	226068	IXEKJUZAZCWKCJ-KGENOOAVSA-N	324.424	3.785	50	40	DHGB	
COc1ccc(N=C=S)cc1CN(CCCl)CCCl	1666090	YCKATOPZLHIRIN-UHFFFAOYSA-N	319.257	3.709	50	40	DHGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	8846165	GKTUCVTYONXOFC-GOSISDBHSA-N	319.408	3.784	50	40	DHGB	
FC(F)(F)c1ccc(CCI)cc1	90561253	SRZXEFNIPPUVHS-UHFFFAOYSA-N	300.061	3.683	50	40	DHGB	
CNC(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)cc1	409238541	KZQBHSBJWHDMIH-PTNGSMBKSA-N	308.406	3.799	50	40	DHGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	7156712	AWZNCRQCPBSAQW-LFIBNONCSA-N	306.365	3.858	50	40	DHGB	
C[C@H]1CCC/C(=N\NC(=O)CSc2nc3ccccc3o2)C1	36234950	MTNOHBIEYBPQRW-MSXRGENMSA-N	317.414	3.602	50	40	DHGB	
Cc1ccccc1-c1nc2cc(NC(=O)CSC#N)ccc2o1	216855377	KEDDEMCLDVMSNB-UHFFFAOYSA-N	323.377	3.956	50	40	DHGB	
C[C@H]1Cc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)ccc2O1	408710753	IWCXOCCUEQKYHP-SEJMYLSOSA-N	306.321	3.982	50	40	DHGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(C)C)=C2C#N)cc1	3248550	QEMOBRTYRYMCMO-AWEZNQCLSA-N	300.427	3.723	50	40	DHGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1	5362349	MXJCXHSPHYKROJ-MDBUFAAASA-N	316.401	3.598	50	40	DHGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1	5527410	FPEGJZIIVOGVEH-GIJQJNRQSA-N	323.179	3.766	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(F)ccc1F)c1ccccc1	98008573	FWUYDEUSSKDZBP-CDCQXCROSA-N	312.319	3.749	50	40	DHGB	
COC(=O)[C@@]1(C)CCC[C@@]2(C)c3ccccc3[C@@H](OO)C[C@@H]12	104038216	XPAMSYAPKVCVJF-MVJTYMMSSA-N	304.386	3.858	50	40	DHGB	
CCOc1ccc(N[C@H](C)C(=O)NN=C2CCCC[C@H]2C)cc1	5797112	OTUJSBCXCMHNQY-ZIAGYGMSSA-N	317.433	3.568	50	40	DHGB	
C/C(=N\NC(=O)CNc1ccccc1)c1ccc(C(C)(C)C)cc1	6297617	NUBPNHKKAVGPBD-PXLXIMEGSA-N	323.440	3.936	50	40	DHGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2)cc1	6947335	HVETZYUPBSBSIX-RVDMUPIBSA-N	322.364	3.640	50	40	DHGB	
O=C(N/N=C1/CCCc2ccccc21)[C@H]1C[C@@H]1c1ccccc1	30734346	MOHCUJHUYZSWOS-YTZWJCTKSA-N	304.393	3.647	50	40	DHGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc(F)ccc1F)c1ccccc1	40139589	FWUYDEUSSKDZBP-DGGAMASNSA-N	312.319	3.749	50	40	DHGB	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1scnc1C	41699882	FKDGHZJKXXAOBZ-YBFXNURJSA-N	317.458	3.508	50	40	DHGB	
COc1ccccc1C(=O)N/N=C(/C)c1ccc(Cl)cc1	359791	DMJFWHWRDKUWNG-WQRHYEAKSA-N	302.761	3.503	50	40	DHGB	
Cc1cccc(C(=O)N[C@H](Cl)C(Cl)(Cl)Cl)c1	82238021	IZRYMPRXFVMPTN-VIFPVBQESA-N	301.000	3.660	50	40	DHGB	
CCOC(=O)c1ccccc1NC(=O)[C@H](Cl)c1ccccc1	95921797	JUUWPNNQHSDXGV-OAHLLOKOSA-N	317.772	3.782	50	40	DHGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	1967064	JYRKPAXCMRWZRC-MHWRWJLKSA-N	317.797	3.987	50	40	DHGB	
NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	3219181	IRHMSOQRVXQNLL-UHFFFAOYSA-N	318.376	3.536	50	40	DHGB	
Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C\c2ccc(C)o2)c1	17031737	LYTYYVWLGQHYHE-HEUOVEHFSA-N	308.381	3.989	50	40	DHGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1	408939432	SNDIGLKCVIEUOW-PTNGSMBKSA-N	322.364	3.727	50	40	DHGB	
Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2n1	263118	SLDVWGRJOLHVGA-RGVLZGJSSA-N	323.783	3.961	50	40	DHGB	
C[C@@H](/C=N\NC(=O)N/N=C/[C@H](C)c1ccccc1)c1ccccc1	5515396	AWONZIXXDJSYGN-NEVBXHLESA-N	322.412	3.865	50	40	DHGB	
C/C(=N/NC(=O)CC1(C)SCCS1)c1cc(C)ccc1C	408591873	VUDVCBUUIPAWCB-LGMDPLHJSA-N	322.499	3.730	50	40	DHGB	
C[C@@H]1Cc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)ccc2O1	408710751	IWCXOCCUEQKYHP-HMHNVIDESA-N	306.321	3.982	50	40	DHGB	
COc1ccc(CCCC(=O)N/N=C/c2cccs2)c(C)c1	408910884	MAIZMGODCWJFOF-LDADJPATSA-N	316.426	3.538	50	40	DHGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCCC1	9235521	DKMACXYHVGKCHI-SDNWHVSQSA-N	310.328	3.615	50	40	DHGB	
C=CCN(/C=C(\C#N)C(=O)Nc1ccccc1)c1ccccc1	57414072	ZGLVPBBKOFTCMC-FOCLMDBBSA-N	303.365	3.725	50	40	DHGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	59432781	ZETIWHNWNJTZOS-XNTDXEJSSA-N	322.364	3.558	50	40	DHGB	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	70366	NVGDUIGLWVUGCD-NTEUORMPSA-N	310.309	3.676	50	40	DHGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O	4149421	IPCWCKVEEPEHPW-UKTHLTGXSA-N	305.337	3.731	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	4815493	NCHYQTOOMBTZFB-LICLKQGHSA-N	317.186	3.521	50	40	DHGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccccc2s1	20132822	NQFYQPCNMFUPRB-MRVPVSSYSA-N	313.220	3.798	50	40	DHGB	
Cc1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1	216856381	GOSWCGQFIKPKEP-UHFFFAOYSA-N	300.745	3.981	50	40	DHGB	
C#CCOc1ccccc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408582247	MNMSRVMOIOUROS-SFQUDFHCSA-N	319.360	3.780	50	40	DHGB	
Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)c1	408850973	SQUWYYBCEADMKX-ZHZULCJRSA-N	318.380	3.941	50	40	DHGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1	30822022	JUGXWTYMENRLSK-LSCVHKIXSA-N	311.143	3.896	50	40	DHGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C	59434245	DOYOFVNAKFDUIO-UHFFFAOYSA-N	323.824	3.659	50	40	DHGB	
Cc1occc1C(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C	96399322	CJVDDPXJIDAWJK-SXHCYDPGSA-N	323.396	3.615	50	40	DHGB	
CCOc1ccc(-n2c(CCl)nc3ccccc3c2=O)cc1	4207095	AEVGTVCWMIELKK-UHFFFAOYSA-N	314.772	3.523	50	40	DHGB	
O=C(Cc1cccs1)N/N=C\c1ccc(Cl)c(Cl)c1	30684060	QQYPSAKIQFCQSU-PXNMLYILSA-N	313.209	3.748	50	40	DHGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cccc(Cl)c1	30791395	LOSOSWIPYUOYFM-NVMNQCDNSA-N	323.179	3.523	50	40	DHGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)nc2c1	59186093	CNPMXQAICYXVTD-LCYFTJDESA-N	304.309	3.844	50	40	DHGB	
CC/C(=N\NC(=O)c1ccccc1Br)c1ccco1	20761170	XUJCFFJXVSZOGM-FOWTUZBSSA-N	321.174	3.586	50	40	DHGB	
COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(C#N)[C@]3(C)CC[C@@H]21	104044994	JLKBXDGMZFCRPY-FSGKZVOOSA-N	311.425	3.806	50	40	DHGB	
CCCCCCCCCCCCN(CCO)C(=O)CCl	104382139	GXMIUYJCVQGQQQ-UHFFFAOYSA-N	305.890	3.967	50	40	DHGB	
COc1ccc(CCCBr)c(OC(F)(F)F)c1	199542812	NXYFQHFCBSFREX-UHFFFAOYSA-N	313.113	3.921	50	40	DHGB	
CCO[Si](CCC/N=C(/C)CC(C)C)(OCC)OCC	256073917	PRKPGWQEKNEVEU-NXVVXOECSA-N	303.519	3.932	50	40	DHGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(F)cc1	59292	XVVIDJROMGLGIG-WSDLNYQXSA-N	321.355	3.541	50	40	DHGB	
N#C[C@H](c1ccccc1)N(CCCCl)C(=O)c1ccco1	2291517	RUECDYSISYARRQ-CQSZACIVSA-N	302.761	3.616	50	40	DHGB	
CCCCCCCC(=O)NNC(=O)Nc1cccc(Cl)c1	2746703	DESFMNFFSUJJFI-UHFFFAOYSA-N	311.813	3.853	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	4087666	LEAFVEBNNDDESR-XNISGKROSA-N	302.805	3.542	50	40	DHGB	
CC/C(=N/NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2	33291630	UIKFFEQERLDHHB-FXBPSFAMSA-N	311.429	3.794	50	40	DHGB	
Cc1ccc(S(=O)(=O)N[C@@H](CCCl)c2ccccc2)cc1	334957	BFLCGGJYJGGLGQ-INIZCTEOSA-N	323.845	3.644	50	40	DHGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)n1	1803197	ZTNGSOHRFVXWJX-FOWTUZBSSA-N	321.380	3.725	50	40	DHGB	
COC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	4525955	AIYHURPASHIOQE-VCHYOVAHSA-N	318.760	3.609	50	40	DHGB	
NNC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc12	6342805	FIQJQRNZQMZYLY-UHFFFAOYSA-N	313.360	3.659	50	40	DHGB	
C/C(=N\NC(=O)CSCc1ccccc1)c1cccs1	18173216	IDTDVFXIFPNYBH-FOWTUZBSSA-N	304.440	3.522	50	40	DHGB	
Cc1sc2nc(/C(C#N)=C\c3cccc(O)c3)nc(O)c2c1C	33660107	FPTOWAVKDQPWPE-SDQBBNPISA-N	323.377	3.784	50	40	DHGB	
C[C@H]1C[C@@H]2[C@@H](C/C1=N/NC(=O)c1ccccc1O)[C@@H]1CC[C@@H]2C1	105305155	SVRPOTXJQJBPHV-CHIKLCGUSA-N	312.413	3.570	50	40	DHGB	
CCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1614611	YHVWFMWREZSBEW-NOZJJQNGSA-N	301.180	3.666	50	40	DHGB	
O=[P@]1(N(CCCl)CCCl)Nc2ccccc2CO1	2032163	FHVAFBICUPKYQB-GOSISDBHSA-N	309.133	3.516	50	40	DHGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)OC)cc1	3247889	PTGRHAKXDHSKCJ-QGOAFFKASA-N	320.392	3.793	50	40	DHGB	
C/C(=C\c1ccco1)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	4475682	LXZNLIFWDLPZFL-AYAUWGRQSA-N	324.380	3.666	50	40	DHGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccccc1Br	4906037	VAEKTBGULRHISD-NTMALXAHSA-N	317.142	3.588	50	40	DHGB	
CCC/C=N/NC(=O)CCCCCCCC(=O)N/N=C/CCC	5455147	OVACHMIOPFLSMO-JSAVKQRWSA-N	324.469	3.521	50	40	DHGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1C	5571059	JNDDTGLXWLVGOT-WQRHYEAKSA-N	321.424	3.706	50	40	DHGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1F	33957579	SQGMVYNJYRKHEN-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
CC1(C)CC(=O)C/C(=N\NC(=O)Cc2cccc3ccccc23)C1	100013587	WNUJFNSAIUABIJ-LTGZKZEYSA-N	322.408	3.634	50	40	DHGB	
Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)CCl)C1(C)C	2108911	FJCXJKCVNRMCRS-DYVFJYSZSA-N	318.848	3.961	50	40	DHGB	biogenic
Cc1ccc(NCC(=O)N/N=C/C=C/C=C/c2ccccc2)cc1	3131206	DNZSNQUBNPMAST-DCPWZRLISA-N	319.408	3.779	50	40	DHGB	
O=C(NCCCCl)C1c2ccccc2Oc2ccccc21	4696138	QBVBEYWDEZSVRJ-UHFFFAOYSA-N	301.773	3.669	50	40	DHGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1cccc2ccccc12	7154641	LISVYVLJUIMUNM-GZTJUZNOSA-N	315.376	3.640	50	40	DHGB	
N#C/C(=C/Nc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1	57413889	AXIULOLDUZUIGM-SSZFMOIBSA-N	303.365	3.633	50	40	DHGB	
CC(C)c1nc(NC(=O)CCCC[C@@H]2CCSS2)n[nH]1	79479672	DILKYPGPSXRMRA-SNVBAGLBSA-N	314.480	3.581	50	40	DHGB	
O=C(NNc1ccnc2ccccc12)c1ccc2ncccc2c1	106924260	REWPYOXOFZRJRK-UHFFFAOYSA-N	314.348	3.540	50	40	DHGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1O	408543708	SHEWLUWYARZGRZ-DHDCSXOGSA-N	309.321	3.553	50	40	DHGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1	408783798	MZJJZHAQWGCMBV-RCCKNPSSSA-N	324.424	3.903	50	40	DHGB	
Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)s1	46025	DHGAPYBAGVHDQN-OVCLIPMQSA-N	323.215	3.583	50	40	DHGB	
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccccc1	63150	VLPISVVFIORQFA-SFHVURJKSA-N	314.344	3.764	50	40	DHGB	
CCC(/C=N/NC(=O)c1ccc(OC(C)C)c(OC)c1)CC	6687264	JSFPVVQDNWHVAK-WOJGMQOQSA-N	306.406	3.634	50	40	DHGB	
CCOC(=O)/C(C#N)=C(/CC)c1cc(Cl)cc(Cl)c1O	17176021	GLJTUTUHJHDTOA-LUAWRHEFSA-N	314.168	3.949	50	40	DHGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)C(=O)NC1CCCC1	409192172	VEZNJKHUMLSSEQ-SSZFMOIBSA-N	319.408	3.752	50	40	DHGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(F)cc3)ccc2c1	61720	HXZGUSNNZHHYAL-CIAFOILYSA-N	322.339	3.751	50	40	DHGB	
O=C1c2ccccc2-c2cccc(NC(=O)C(Cl)Cl)c21	1713222	LMTPJMHYJZTUID-UHFFFAOYSA-N	306.148	3.640	50	40	DHGB	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C#N)cc3)n2)cc1	57996409	QHWUNUZRKDHHJA-YVLHZVERSA-N	312.332	3.981	50	40	DHGB	
Cc1cccc(CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c1	409144988	PSDQLANSXQHCAN-AWEZNQCLSA-N	324.405	3.860	50	40	DHGB	
Cc1sc(/C=C(/C#N)C(=O)OC(C)C)cc1Br	43790	ZRAREBXCVAJFSP-WTKPLQERSA-N	314.204	3.678	50	40	DHGB	
CCc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1	5877472	NASKOGKQFIMZNE-YBFXNURJSA-N	300.789	3.975	50	40	DHGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#N	503995529	IYGZSTAPMXRITM-TYZYKTGFSA-N	317.473	3.645	50	40	DHGB	
O=C(N/N=C/c1cccc(Cl)c1)c1cc2ccccc2cc1O	96211	NFVSRKADBOWDDV-RGVLZGJSSA-N	324.767	3.963	50	40	DHGB	
N#CC(Nc1ccccc1Cl)=C1C(=O)c2ccccc2C1=O	148226	RZCHSJAJAYWVNP-UHFFFAOYSA-N	308.724	3.609	50	40	DHGB	
CCOC(=O)NN(C/C(Cl)=C/Cl)C/C(Cl)=C/Cl	1604001	DCQFTNCCVVUHFW-VHOZIDCHSA-N	322.019	3.588	50	40	DHGB	
CC[C@@H](C)/C(C)=N/NC(=O)CSc1nc2ccccc2s1	4979235	UOCBOJOXLOCWBC-SIPGVVJPSA-N	321.471	3.927	50	40	DHGB	
CCC[C@H](Br)C(=O)Nc1nc2ccccc2s1	20132825	NQFYQPCNMFUPRB-QMMMGPOBSA-N	313.220	3.798	50	40	DHGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1F)c1ccccc1	57395756	RGIQTVHTEHQQRQ-CDCQXCROSA-N	312.319	3.749	50	40	DHGB	
O=C(c1ccccc1)N1N=C(CCCl)[C@H]2[C@H]3CC[C@H](C3)[C@H]21	4087665	LEAFVEBNNDDESR-SJXGUFTOSA-N	302.805	3.542	50	40	DHGB	
CCOC(=O)N(/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OCC	4293655	DZXVJZZRYADWSG-ZJACZCSNSA-N	310.394	3.804	50	40	DHGB	
O=c1[nH]c(CCl)nc2c1C1(CCCCC1)Cc1ccccc1-2	4354720	VJCZYRSEFXGUAJ-UHFFFAOYSA-N	314.816	3.934	50	40	DHGB	
COC(=O)[C@@H]1CCC[C@]23C[C@H](C[C@@H]12)C(C)(C)[C@H]3Br	5103432	BRSKSAQQGYBNNN-RDEBFJIRSA-N	315.251	3.775	50	40	DHGB	
C[C@H]1CCCN(CCSSCCN2CCC[C@@H](C)C2)C1	5104797	AWPSNQBJGSLFHX-IYBDPMFKSA-N	316.580	3.832	50	40	DHGB	
Cc1ccc(C(C)C)c(COC(=O)N/N=C/c2ccccn2)c1	20120528	GFWUYKQWEIYFIX-RGVLZGJSSA-N	311.385	3.774	50	40	DHGB	
N#C/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1	44842266	MANQOHJPTFSRGS-RVDMUPIBSA-N	318.785	3.591	50	40	DHGB	
ClCCN(CCCl)c1ccc(/C=C/c2ccncn2)cc1	66156314	PMPAHJKNTIDFHW-DAFODLJHSA-N	322.239	3.931	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C	260621915	PRLWFVHHHDQMEW-GDBMZVCRSA-N	317.477	3.636	50	40	DHGB	
O=C(C(=O)c1ccc(CBr)cc1)c1ccccc1	2559787	QELAVTMDKHSMOP-UHFFFAOYSA-N	303.155	3.647	50	40	DHGB	in-vitro
CC(/C=N/NC(=O)COc1ccc(C)c(C)c1)=C\c1ccccc1	3023068	VSNQGKRCRWWTAL-SVKVUTTMSA-N	322.408	3.888	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@H]2CC[C@H]1C2	106272302	KJMOKWHQHZDVGZ-KGCYFWKISA-N	306.793	3.588	50	40	DHGB	
Cc1ccc(Cc2cnc(NC(=O)CCl)s2)cc1Cl	538819	DAEZPIVQPNRDLL-UHFFFAOYSA-N	315.225	3.873	50	40	DHGB	
CCN(C(=O)CCCl)c1nc(-c2ccc(F)cc2)cs1	4214998	WJQCTFQLWKFJDG-UHFFFAOYSA-N	312.797	3.931	50	40	DHGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(C(=O)O)cc1	408544166	VJFGESDUBIOTML-QCWVPXHQSA-N	320.304	3.913	50	40	DHGB	
CCCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1	3150711	APUYSVVPLXNTPG-QGOAFFKASA-N	306.406	3.514	50	40	DHGB	
N#C/C(=C/c1ccc(Br)o1)c1ccc(C(=O)O)cc1	4810760	JAPUPNKGQVPSFA-XFFZJAGNSA-N	318.126	3.804	50	40	DHGB	
CCCCCCOc1ccc(NC(=O)CBr)cc1	35605018	KCBDDEIPZCPDAL-UHFFFAOYSA-N	314.223	3.979	50	40	DHGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc(C)c2)cc1	409118852	OQBKIRRXUIREHB-IYSPOMMRSA-N	312.438	3.934	50	40	DHGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(C)c1	20194533	ONZBYEVIIJOGES-CIAFOILYSA-N	319.408	3.786	50	40	DHGB	
N#CC(C#N)=C(/C=C/c1ccc2c(c1)OCO2)c1cccs1	34361529	HZSGUPAJAHMZRT-HWKANZROSA-N	306.346	3.991	50	40	DHGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)c1	408605124	WWZDKXSKRXUSOE-UDWIEESQSA-N	310.397	3.794	50	40	DHGB	
COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1	494743	PDCXWLQUSSXHKU-INIZCTEOSA-N	312.756	3.567	50	40	DHGB	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1	12747468	VTSNWJQHFHXDSH-XNTDXEJSSA-N	301.349	3.604	50	40	DHGB	
CCOc1cccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)c1	103592449	NFZMJNQZGBTMPW-IZZDOVSWSA-N	313.309	3.612	50	40	DHGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1	408862355	FJULRWQYMDOIOO-UDWIEESQSA-N	310.397	3.794	50	40	DHGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc2ccccc2c1	50361	YJCYRXDHHNTWHX-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
CCOC(=O)/C(C#N)=C/c1cc2cc(C)ccc2nc1Cl	422525	PHTKRBJSWFXFCB-MDWZMJQESA-N	300.745	3.667	50	40	DHGB	
COc1ccc(C(=O)N/N=C/C=C/c2c[nH]c3ccccc23)cc1	1921504	CQKRECXWZVVPMW-KRDWPCQQSA-N	319.364	3.606	50	40	DHGB	biogenic
CC/C(=N/NC(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2	13133185	ZEGZDZPYBKTLJP-FXBPSFAMSA-N	311.429	3.794	50	40	DHGB	
Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)CCl)c1	34914988	MLMYJNFJLYDBCS-UHFFFAOYSA-N	313.788	3.795	50	40	DHGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408968780	ZBNOKPVOPAUGMW-UDWIEESQSA-N	311.429	3.862	50	40	DHGB	
COc1cccc(/C=C(\C#N)c2ccccc2)c1O[C@H](C)C(=O)O	409236260	FWEQAKCMSGZTHU-KWWJGWKXSA-N	323.348	3.611	50	40	DHGB	
Cc1cccc(NCC(=O)N/N=C/c2cccc3ccccc23)c1	59061	BKCWZXMNPHUUHP-LPYMAVHISA-N	317.392	3.710	50	40	DHGB	
C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccc(Cl)cc1	5968257	LEKNEXNDTFJVCN-UYRXBGFRSA-N	300.789	3.731	50	40	DHGB	
Clc1cc(Br)ccc1OCCBr	20372958	SLIHCPFRJAJBQM-UHFFFAOYSA-N	314.404	3.876	50	40	DHGB	
N#CC1(C(=O)NN=C(c2ccccc2)c2ccccc2)CCCC1	52736121	QIEAJAFYYPPGOV-UHFFFAOYSA-N	317.392	3.639	50	40	DHGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1c(O)ccc2ccccc12	100176979	WCISRAYKVLSOCG-KYPGUPDXSA-N	322.408	3.822	50	40	DHGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2	102380877	KJMOKWHQHZDVGZ-XCFIFETPSA-N	306.793	3.588	50	40	DHGB	
CCCC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C	223229390	ARUUGKHUUSUMFR-WMLDXEAASA-N	317.477	3.636	50	40	DHGB	
O=C(N/N=C\c1ccco1)C(c1ccccc1)c1ccccc1	5602414	DXIWOMGLGALFCI-ZHZULCJRSA-N	304.349	3.562	50	40	DHGB	
Nc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1	7943302	FFVOYLYAJFPDNK-UHFFFAOYSA-N	307.397	3.712	50	40	DHGB	
CCCCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	10735523	DDIWSRRDDOHLJX-UHFFFAOYSA-N	320.389	3.505	50	40	DHGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc2[nH]ccc2c1	13113611	BSYZPAGUPPXMEA-RGVLZGJSSA-N	311.772	3.975	50	40	DHGB	
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	13116435	NQLGNUDZYAUBPL-RBOXIYTFSA-N	320.421	3.588	50	40	DHGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2)cc1	98053159	RQZXNTDDAJDAKO-YBEGLDIGSA-N	319.339	3.805	50	40	DHGB	
C=CCOc1cccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1	408592517	YWPKEYNIBWDEAO-KGENOOAVSA-N	322.408	3.561	50	40	DHGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1O	408735786	XPOIBEHIWBSCAA-UKTHLTGXSA-N	312.756	3.900	50	40	DHGB	
CCc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc1	65095883	CYMLCRTWVOODNE-UHFFFAOYSA-N	310.378	3.539	50	40	DHGB