smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1	3231660	BVVIMZSJMWAKMS-UHFFFAOYSA-N	358.781	3.081	30	40	FGEB	
COC(=O)c1ccccc1N/C=C/c1nccc2c1cnc1c(C#N)cnn12	100913942	XRCVWAIIPKUXJY-SOFGYWHQSA-N	370.372	3.019	30	40	FGEB	
O=S(=O)(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(Cl)cc1	5680374	ARWGGKHROWQBTQ-DYTRJAOYSA-N	371.849	3.466	30	40	FGEB	
Fc1cnc(N/N=C\c2ccc(Cl)cc2Cl)nc1N1CCOCC1	8411937	WGVBVSAOXGRIKD-ZBKNUEDVSA-N	370.215	3.205	30	40	FGEB	
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	18197396	SFHISNZNWYEXLH-KPZWWZAWSA-N	364.430	3.461	30	40	FGEB	
CN1C(=O)S/C(=C\c2ccc(OCC#N)c(Br)c2)C1=O	408810118	IXLQZHASKHJVRV-XFFZJAGNSA-N	353.197	3.018	30	40	FGEB	
CCOC(=O)c1cccc(/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c1	409011732	HJQUGMKYIKTQBA-MUBJSKCLSA-N	371.389	3.474	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C\c2ccc(I)cc2)nc1	408751106	WMAPZWNMALWZMD-CHHVJCJISA-N	368.134	3.040	30	40	FGEB	
Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1B1OC(C)(C)C(C)(C)O1	2362803154	JRFMKZOHOQCUBJ-UHFFFAOYSA-N	372.123	3.210	30	40	FGEB	
O=C1Nc2ccccc2N/C1=C/C(=O)c1c(O)c(F)c(F)c(F)c1F	5889030	RZIVMRPFZLAUFZ-VMPITWQZSA-N	352.243	3.079	30	40	FGEB	
N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1	4523754	RFNMTAINSPKXSO-UHFFFAOYSA-N	354.149	3.379	30	40	FGEB	
CS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	4518026	BULNQJWKDAWGLH-UHFFFAOYSA-N	360.460	3.154	30	40	FGEB	
N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21	2364960	ZDWVABVNEDMRQP-FQEVSTJZSA-N	368.820	3.451	30	40	FGEB	
C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(Br)ccc1Cl	103496290	PNGVDVDOGCHTEZ-QMMMGPOBSA-N	351.653	3.025	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nccc(C(F)(F)F)n2)n1	22614472	RIUQPQIETXWUJZ-MRVPVSSYSA-N	358.370	3.229	30	40	FGEB	
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O	47346266	HIOCBZPTJDCMMF-LJQANCHMSA-N	369.808	3.058	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4Cl)cnc3c2c1	2272752	LEOJXTICKMYPSP-ZVBGSRNCSA-N	352.781	3.422	30	40	FGEB	
CO/N=C/[C@@H](C(=O)Nc1cccc(C)c1)C(=O)N(C)c1cccc(C)c1	5418776	FIKAZGRAZFRHIK-LANLRWRYSA-N	353.422	3.153	30	40	FGEB	
CC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1	6671586	FWJKPDGWSNCZPX-GWCFXTLKSA-N	353.875	3.363	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@@H]1Cc1ccccc1Cl	4936322	CKPOCRHKLILEHZ-GDXCHIGESA-N	359.838	3.210	30	40	FGEB	
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCCC#N)nnc12	5968508	JMUSPUIFGKXIQH-UHFFFAOYSA-N	361.430	3.348	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(F)c2)no1	8744068	CWYFQBDQLBDNJO-INIZCTEOSA-N	368.320	3.498	30	40	FGEB	
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3cccs3)C2)n1	81813488	AXPHDTPYJYQWAX-MRXNPFEDSA-N	354.479	3.198	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)cc1	44904375	FYHXXLOOSRDYRR-UHFFFAOYSA-N	356.447	3.342	30	40	FGEB	
C=CCn1c(SCc2csc(NC(C)=O)n2)nnc1-c1ccncc1	12622636	OBGJOHZUROSAFS-UHFFFAOYSA-N	372.479	3.233	30	40	FGEB	
COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O	13572249	FFYFFIKXPGVWCS-MHWRWJLKSA-N	354.381	3.193	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1	15609359	CQUDVNRNNIUUHN-UHFFFAOYSA-N	368.433	3.191	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)no1	8740748	FKHXONXDKRNTSQ-INIZCTEOSA-N	368.320	3.498	30	40	FGEB	
C=CCN(CC=C)C(=S)NC(=O)c1ccc(OC)c(Br)c1	2136589	HJKFNSKYRSGENC-UHFFFAOYSA-N	369.284	3.146	30	40	FGEB	
C=CCN(Cc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1	59037451	NEZGXFYYTCEWQC-UHFFFAOYSA-N	361.445	3.380	30	40	FGEB	
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)cccc3C)c2)c1	5863485	WQMNOFRMACPBKL-UHFFFAOYSA-N	374.396	3.271	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC	7333682	RYKPRHUEEICNDI-QPJJXVBHSA-N	365.385	3.487	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(O)cc2)nc2sccc2c1=O	16727085	JHCACMPKTAIXCJ-UHFFFAOYSA-N	358.444	3.325	30	40	FGEB	
CN(C)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl	8262301	IQKQKYJFQILNFF-GOSISDBHSA-N	357.841	3.010	30	40	FGEB	
COc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\O)cc1OC	110126335	JWEAHXHNHUSMLS-OCKHKDLRSA-N	364.785	3.183	30	40	FGEB	
N#Cc1ccc([C@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1	91889289	LTPKYMKIIXEJFX-OAQYLSRUSA-N	354.425	3.412	30	40	FGEB	
COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1OC	408931322	JZLGTKJQYASMRN-DEDYPNTBSA-N	371.393	3.199	30	40	FGEB	
CCc1ncsc1N=C(O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C	328932558	PFAKIAFTQLWQBU-LRDDRELGSA-N	373.482	3.169	30	40	FGEB	
COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	583616149	QNKWOLAFQPVFAY-PZJWPPBQSA-N	350.418	3.079	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	242701868	WOPVTRZZWMQKRO-KZNAEPCWSA-N	361.850	3.436	30	40	FGEB	
CN(C)c1ccc(N=Nc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1	255978147	IBOVDNBDQHYNJI-UHFFFAOYSA-N	366.377	3.389	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCCC(C)C)c1	12912175	KFXFOIBLIHKHDF-HNNXBMFYSA-N	352.500	3.096	30	40	FGEB	
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2	5129759	KATBYGFDUQDMDI-GQCTYLIASA-N	356.374	3.380	30	40	FGEB	
COCCN(Cc1ccc(C#N)cc1)Cc1nnc(-c2cccs2)o1	26873319	NYTBNCNDFVYJPV-UHFFFAOYSA-N	354.435	3.318	30	40	FGEB	
C=CCSc1nnc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)s1	32925368	DZPXZGXGJBZLOQ-LLVKDONJSA-N	370.887	3.325	30	40	FGEB	
NC(=S)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	6576166	KQKQPRIUCLJKSG-CPOQMQJTSA-N	359.838	3.179	30	40	FGEB	
CCc1cc(C#N)c(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)s1	59829148	CKJJKJXXFZZCDN-UHFFFAOYSA-N	368.867	3.491	30	40	FGEB	
N#C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1cnn(-c2ccccc2)c1	68400436	UIKVVRLANQSUBB-OALUTQOASA-N	358.401	3.119	30	40	FGEB	
C=CCOc1ccc(/C=N/n2c(S)nnc2CC)cc1Br	408866500	GCTRARPJBPFOCW-CXUHLZMHSA-N	367.272	3.339	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)cc1	44974050	PYQFJNLGIIYPPE-MRXNPFEDSA-N	365.433	3.288	30	40	FGEB	
O=C1CCCC(O)=C1[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=O	5515064	ZDJGNKHPZAYRBG-QGZVFWFLSA-N	357.362	3.182	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccs1	5799827	LBCSFZRBWBXZHZ-GROYHEBESA-N	370.474	3.122	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1	40011976	RLXDCURSPJOPIP-ZGKFYVQTSA-N	357.417	3.020	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc(C(=O)O)cc1	102045473	JEWZEZGJAMLRBE-CYBMUJFWSA-N	353.378	3.014	30	40	FGEB	
CC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCC1	100444211	XJQCHMWUHJXDOM-HNENSFHCSA-N	356.451	3.246	30	40	FGEB	
C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCOCC2)cc1	904073	LZKKHTNLMXZCDN-OQKWZONESA-N	351.450	3.110	30	40	FGEB	
N#Cc1cccc(N2CCC[C@@]3(CN(CC4CC4)CC(F)(F)C3)C2=O)c1	306134262	NHFHQECRXGONSA-LJQANCHMSA-N	359.420	3.422	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3Cl)C2=O)c1	408535883	OWLCYMLQNTVXJF-ZDUSSCGKSA-N	355.781	3.250	30	40	FGEB	
COc1cccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1	408801103	SVQIXVUKJUTSJP-CWGWECIMSA-N	368.433	3.120	30	40	FGEB	
CC1=C(C(=O)OCCC#N)[C@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O	33691816	PKGMTTMCEJLAGV-SFHVURJKSA-N	371.396	3.107	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1	333911249	LMBNYBYIFFESEC-LJQANCHMSA-N	368.458	3.101	30	40	FGEB	
O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)s1	46928767	QZLGPVPUYUZWSF-GORDUTHDSA-N	371.823	3.489	30	40	FGEB	
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	18197398	SFHISNZNWYEXLH-SGTLLEGYSA-N	364.430	3.461	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)NC1=S	977679	XNXWTWBJINITBU-GHRIWEEISA-N	364.426	3.292	30	40	FGEB	
Cc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccccc2[N+](=O)[O-])S1	5214783	JDUXPYCXFDGHIY-ZVCOJXFSSA-N	368.418	3.067	30	40	FGEB	
COc1cccc2cc(C(=O)Nc3cccc(F)c3)/c(=N/OC(C)=O)oc12	20132987	FVZCYBDWPDFOBF-QOCHGBHMSA-N	370.336	3.212	30	40	FGEB	
N#Cc1cc2c(N)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2nc1N	20029213	TUSPXXHTUISRLJ-UHFFFAOYSA-N	367.478	3.031	30	40	FGEB	
N#Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1	7976089	UIOPVFJERMTVBJ-UHFFFAOYSA-N	374.400	3.132	30	40	FGEB	
C[C@@H]1CCc2ccccc2N1C(=O)CON=C1CCC2(CC1)OCCO2	54232156	VTYHOCHBKOTWMM-OAHLLOKOSA-N	358.438	3.044	30	40	FGEB	
Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	1098585	YYJWZHRVASOAAO-CIAFOILYSA-N	369.446	3.198	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)NC(=O)c1cccs1	58305357	NTLHTEUXFQYBMU-AWEZNQCLSA-N	358.463	3.090	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1	3485203	AYMDMUXKDCJTDS-UHFFFAOYSA-N	355.423	3.158	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)cc(Cl)c1OC	4066675	NCMKWVFFVBPLMW-ZDUSSCGKSA-N	371.220	3.359	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(F)c2)cc1	19138321	PRORNODJXXZFHF-UGSOOPFHSA-N	369.392	3.093	30	40	FGEB	
C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Cl)ccc21	6659680	CVYUKYDXESWZEH-FQEVSTJZSA-N	371.820	3.342	30	40	FGEB	
CSc1nc(C2CCC2)cc(N2CCN(c3ccnc(C#N)c3)CC2)n1	2298050239	HIGUGTSTEKMYGF-UHFFFAOYSA-N	366.494	3.059	30	40	FGEB	
O=C1COc2ccc(C(=O)/C=C/c3cnc(-c4ccccc4)nc3)cc2N1	58174651	NIYMVDCLHNRPTQ-SOFGYWHQSA-N	357.369	3.371	30	40	FGEB	
Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccc(C#N)cc3)cc2)no1	100004623	ZMRDLBJDXMVBKK-UDWIEESQSA-N	366.402	3.406	30	40	FGEB	
Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)s1	107786418	FIQACGQTWPIYBQ-APWZRJJASA-N	354.479	3.169	30	40	FGEB	
Fc1ccc(N2CCC(=NNC(=S)NCc3ccccc3)CC2)cc1	60418737	ZILTUQSAYDUCBI-UHFFFAOYSA-N	356.470	3.446	30	40	FGEB	
Cc1cccc(OCC(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1	4554543	YHUUZDUUXSASRM-UHFFFAOYSA-N	359.476	3.437	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2c1ccnc2ccccc12	18200608	AJEGANXNHBCDAC-KRWDZBQOSA-N	360.421	3.067	30	40	FGEB	
C#CCCCCC(=O)NC1(C2CCN(C(=O)c3ccccc3)CC2)CC1	1775992540	RIRZHSFMWDVPAR-UHFFFAOYSA-N	352.478	3.381	30	40	FGEB	
CC(C)c1cccc(NC(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)c1	12824889	NTPBQXUFGGTZAT-UHFFFAOYSA-N	371.462	3.086	30	40	FGEB	
C=CCn1ncc(CN2CCN(CC3(c4ccccc4)CC3)CC2)c1C	19554449	CRVZGBDGBVDVOD-UHFFFAOYSA-N	350.510	3.227	30	40	FGEB	
Cc1ccc(-n2c(C)nnc2SCC(=O)NC2(C#N)CCCCC2)cc1	4835936	LFORUGJXNFNHIH-UHFFFAOYSA-N	369.494	3.319	30	40	FGEB	
COc1ccc(-c2csc(C3=C(N)N(C4CCCC4)CC3=O)n2)cc1	13570371	AXROCXNPQRGUJK-UHFFFAOYSA-N	355.463	3.273	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	2359169	VVXHFFSKBJIFFP-HUUCEWRRSA-N	350.422	3.202	30	40	FGEB	
Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1	6642575	RHCSGDSRUZDCDH-CYBMUJFWSA-N	372.808	3.469	30	40	FGEB	
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c(OC)c1	12772795	BMFZHVQJUILIHH-KRWDZBQOSA-N	372.446	3.101	30	40	FGEB	
CCc1ccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408758879	TWZUXECBARIYJT-CTPANLQCSA-N	365.458	3.324	30	40	FGEB	
COc1cc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)ccc1OCC#N	20932725	YBXMLYVSEUWETM-UDWIEESQSA-N	365.418	3.401	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1	5163576	WCKZEFILHQSNRF-NBVRZTHBSA-N	361.423	3.223	30	40	FGEB	
CCc1ccc(-n2cc(C(=O)c3cc(OC)ccc3O)cc(C#N)c2=O)cc1	5863718	KPMYTGJAAFBBEX-UHFFFAOYSA-N	374.396	3.217	30	40	FGEB	
Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	77479787	ATLHCVNZWPOXOE-JTQLQIEISA-N	363.215	3.159	30	40	FGEB	
N#CC1(C(=O)N2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CCCC1	1565551171	NBRFUVAMQIPFLY-LJQANCHMSA-N	357.479	3.178	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3cc(C)ccc3C)c2C#N)C1	4330641	USIJFUKMLIENOG-UHFFFAOYSA-N	353.447	3.394	30	40	FGEB	
CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2)C3=O)CC1	22575553	UBWFHGRNAGCKKO-ZHZULCJRSA-N	364.445	3.146	30	40	FGEB	
CCOc1cccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)c1	40139730	LACBLMNQGYCDKP-VQHVLOKHSA-N	356.374	3.453	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1ccc(Cl)cc1N)c1ccccc1	3249984	FJHQDPOLDDBBPF-UHFFFAOYSA-N	357.797	3.026	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	102800485	WVUFGXSTGAPOJU-HVESIFNPSA-N	371.820	3.408	30	40	FGEB	
C[C@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@]1(C#N)N[C@]21C#N	104127351	QFPNFPGMFVZJDX-KAOXLYBCSA-N	351.409	3.334	30	40	FGEB	
COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cc(F)ccc2F)cc1	48471172	XSGIWLQDUJACPY-JTQLQIEISA-N	371.361	3.086	30	40	FGEB	
COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCCC1	4039865	RASDSONMEOLGGU-UHFFFAOYSA-N	362.433	3.373	30	40	FGEB	aggregator
N#Cc1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1	7398008	BKJLEBMXHVXHIP-UHFFFAOYSA-N	351.450	3.219	30	40	FGEB	
COc1ccc(Cl)cc1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1	8269541	CSRUISRWCLXIMB-GFCCVEGCSA-N	364.810	3.147	30	40	FGEB	
CN(CC(=O)N(CCC#N)CCC#N)Cc1ccc(SC(F)F)cc1	70007799	NCXBRJLJJFLOJO-UHFFFAOYSA-N	366.437	3.089	30	40	FGEB	
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1CC1	7618212	MYDRELJVJOOSJB-UHFFFAOYSA-N	373.507	3.328	30	40	FGEB	
O=C(O)COc1cccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c1	69572627	MOHYQFUZABJMOZ-SNAWJCMRSA-N	374.776	3.471	30	40	FGEB	
N#Cc1cc(N)ccc1N1CCN(C(=O)c2cccc3ccccc23)CC1	70462127	KHDLUGGTAKXABP-UHFFFAOYSA-N	356.429	3.256	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cn1	225920293	ORMNSCFGBNILCK-UHFFFAOYSA-N	372.396	3.476	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cn1	225925121	CKNHWEJDEXETRJ-UHFFFAOYSA-N	369.421	3.290	30	40	FGEB	
C/C(=N\N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1	16138664	ALTLBBCOGCPYEO-XSFVSMFZSA-N	359.271	3.390	30	40	FGEB	
Cc1cccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)c1	694829	QVZMQFKWKJOCAA-MHWRWJLKSA-N	353.241	3.070	30	40	FGEB	
Cc1c(-c2ccccc2)ccnc1/C=N/NS(=O)(=O)c1ccccc1	1559049	FYKIGNVDAGMYTO-KGENOOAVSA-N	351.431	3.369	30	40	FGEB	
CC(=O)Nc1nc(/N=C(\O)C(Cl)(Cl)Cl)n(-c2ccccc2)n1	2326730	GIJHZIGFFXMGIV-UHFFFAOYSA-N	362.604	3.184	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(Cl)cc1	4944594	VOHUHDNDSZMCSN-LBPRGKRZSA-N	361.854	3.186	30	40	FGEB	
CN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	102861214	HUVNWCPTGWGIEV-RIBQPWQFSA-N	372.764	3.300	30	40	FGEB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO	118917951	QREPSQOWKKIPJJ-NGESLJTNSA-N	360.494	3.057	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@H]1c1cccc([N+](=O)[O-])c1	1440171	XHVBPHFZHZGHEQ-INIZCTEOSA-N	356.309	3.223	30	40	FGEB	
CC(=O)c1ccc(N2CCN(Cc3cc(C#N)ccc3F)CC2)c(F)c1	12543081	AEBDDZBYVAGHEF-UHFFFAOYSA-N	355.388	3.361	30	40	FGEB	
CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1SCCC#N	95944767	BKHVBHLQUSUFNQ-UHFFFAOYSA-N	360.460	3.348	30	40	FGEB	
N#CC1(CS(=O)(=O)N(Cc2cccnc2)Cc2ccco2)CCCCC1	95942002	AFLHPJSHZWEALE-UHFFFAOYSA-N	373.478	3.481	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1	218403731	IMZQXJFNMFHJFV-GGPKGHCWSA-N	369.442	3.092	30	40	FGEB	
C=CCOc1c(Br)cc(/C=C2\N=C(C)OC2=O)cc1OC	4607146	BSICADCZGKQUKV-GHXNOFRVSA-N	352.184	3.339	30	40	FGEB	
Cc1ccc(CN2CCC[C@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1	585294997	XSYCCLSETIJZRD-IBGZPJMESA-N	360.421	3.147	30	40	FGEB	
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1O	19973806	LUXZXUZLZHGHHF-UHFFFAOYSA-N	353.418	3.492	30	40	FGEB	
CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1ccccn1	5520367	FORUSVVSJNLPQA-NBINLSMTSA-N	353.403	3.404	30	40	FGEB	
Cc1cc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)ccc1Br	7615854	ORPOYVHFIUZVDS-UHFFFAOYSA-N	374.238	3.046	30	40	FGEB	
C#CCOc1cccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)c1	36357519	KVBULMHIHJHWJY-OAHLLOKOSA-N	369.446	3.115	30	40	FGEB	
C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc3ccccc3c1)CC(=O)N2	4944289	QTVOUMIWBZSHME-HNNXBMFYSA-N	361.426	3.123	30	40	FGEB	
N/C(=N\OC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1cccs1	41155312	ISNVFJOZEWJWJC-UHFFFAOYSA-N	374.397	3.124	30	40	FGEB	
N#Cc1cc(F)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl	1087977	DULJRUMFTKLVEA-UHFFFAOYSA-N	361.779	3.452	30	40	FGEB	
CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	118936714	IUQJWMVFSCOAHF-GOSCOBLSSA-N	362.510	3.087	30	40	FGEB	
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1	2240528	GWLOWEPBOXLADN-HNNXBMFYSA-N	350.422	3.347	30	40	FGEB	
COc1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1OC	6285277	YFRNAZZTFCROCS-GFCCVEGCSA-N	355.394	3.023	30	40	FGEB	
COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(Cc2ccco2)C1=O	18191061	AYYHELGCBCBHMA-PKNIGNJESA-N	360.366	3.239	30	40	FGEB	
CCc1n[nH]c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1	95953382	XOILFHNMQIUZEY-NSHDSACASA-N	361.496	3.492	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1	222456474	RUOCJRCVFRWAST-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)cc1	224865099	ZMMUFDMUZTXADJ-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=CCN1C[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@]2(c2ccccc2)C1	96083265	DFLHKAJYIUUBFE-SJLPKXTDSA-N	352.400	3.227	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)C1=NN(c2ccccc2)C(=O)CC1	60100921	GIQAFALEBXUIRZ-UHFFFAOYSA-N	359.429	3.140	30	40	FGEB	
O=C1CCCC(O)=C1[C@@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=O	105406003	ZDJGNKHPZAYRBG-KRWDZBQOSA-N	357.362	3.182	30	40	FGEB	
CC(=O)/C(=N/Nc1ccc(C)cc1)Sc1nnnn1-c1ccc(C)cc1	100771249	MAJRQLGRNGANRK-JZJYNLBNSA-N	366.450	3.386	30	40	FGEB	
Oc1ccc(Br)cc1/C=N/NC(=S)NCc1ccccc1	4600438	DBXFZCMAHCQTCL-VCHYOVAHSA-N	364.268	3.153	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218105955	FJBZOHUXLUKREY-HSALFYBXSA-N	371.458	3.100	30	40	FGEB	
CC(C)Oc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccn1	1216827294	PJHLIGGTHRSPFY-UHFFFAOYSA-N	365.437	3.095	30	40	FGEB	
N#Cc1ccc(OCCOC(=O)CCc2nc(-c3cccs3)no2)cc1	24204934	ZXYPYVPYYRKFLK-UHFFFAOYSA-N	369.402	3.225	30	40	FGEB	
COc1ccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1	5165160	FWHSNHFHEFLOCR-VZCXRCSSSA-N	350.330	3.111	30	40	FGEB	
COc1ccc(/C=N/O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC	107445678	NIMPWLUOSZASHB-FSQVAEOSSA-N	374.481	3.384	30	40	FGEB	
COC(=O)CCC/N=C(\O)Cn1ccc2cc(Br)ccc21	12324768	CIAVSFSFTUFFIX-UHFFFAOYSA-N	353.216	3.314	30	40	FGEB	
CC(C)N(CC#CCNC(=O)c1ccccc1Br)C(C)C	75164459	ASFBXZXGYJSEHV-UHFFFAOYSA-N	351.288	3.301	30	40	FGEB	
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1	6693381	WETMXDRLTFGFCF-IBGZPJMESA-N	365.429	3.381	30	40	FGEB	
CCCN(CC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1	53094967	OCPFRXQDHOUNGK-OAHLLOKOSA-N	371.462	3.110	30	40	FGEB	
Cc1c(C#N)c(NC(=O)COC(=O)C[C@H]2CCCO2)n(C2CCCC2)c1C	46543135	LOZLBQAUVGOILD-MRXNPFEDSA-N	373.453	3.143	30	40	FGEB	
Cc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1	102876718	AEMLZXYVYAUVIO-UYTDBDHRSA-N	361.357	3.004	30	40	FGEB	
N#CC1(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CCC1	63477038	YVGQQUCGCSXMOX-UHFFFAOYSA-N	367.474	3.428	30	40	FGEB	
O=[N+]([O-])c1ccc(-c2cs/c(=N\N=C\c3ccccc3[N+](=O)[O-])[nH]2)cc1	4475416	HOGVESQWBGOGNH-RQZCQDPDSA-N	369.362	3.494	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218490066	GLBVMFYOFSNHPH-BZSNNMDCSA-N	359.834	3.297	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1	242522225	IMZQXJFNMFHJFV-QWFCFKBJSA-N	369.442	3.092	30	40	FGEB	
N#Cc1c(Cl)nsc1NC[C@H](c1ccc(F)cc1)N1CCOCC1	51234134	NFWBAEUDKBAEAA-CQSZACIVSA-N	366.849	3.293	30	40	FGEB	
C=CCSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1	2695066	ACGMEQSAAKPBPJ-SOFGYWHQSA-N	363.464	3.485	30	40	FGEB	
CCN(CC)c1ccc(N/N=C(\C(C)=O)C(=O)NCc2ccccc2)cc1	100190011	NTSBYYAPNXYHAW-HIXSDJFHSA-N	366.465	3.206	30	40	FGEB	
Cn1/c(=N\N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)sc2ccccc21	106524543	NJHCZFCJUXBZLB-FUMQFTAPSA-N	362.798	3.442	30	40	FGEB	
CCn1c(=O)c(/C=N/NC(=S)Nc2ccccc2)c(O)c2ccccc21	103461934	VOXYFTRXCKFIIZ-UDWIEESQSA-N	366.446	3.048	30	40	FGEB	
N=C(N/N=C\c1ccc(Cl)cc1)C(=N)N/N=C/c1ccc(Cl)cc1	104368974	XHFZIWQWSZRZCA-CHQRTDLRSA-N	361.236	3.495	30	40	FGEB	
C=CCc1ccc(OCC(=O)N[C@H]2CCOc3ccccc32)c(OC)c1	39975956	RKDYXFKZVBWLQP-KRWDZBQOSA-N	353.418	3.443	30	40	FGEB	
N#C[C@H](C(=O)c1cccc(N2CCNC2=O)c1)c1nc2ccccc2s1	66004947	IEZXSDPWUGWSEK-CQSZACIVSA-N	362.414	3.316	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c(OC)c1	5668955	LHNNABHKNGOSQM-GOSISDBHSA-N	371.364	3.332	30	40	FGEB	
C=CCn1c(C)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	6909255	QMHCNNNURUCXKI-UHFFFAOYSA-N	358.383	3.023	30	40	FGEB	
CCOc1ccccc1/C=N/NC(=S)N/N=C/c1ccccc1OCC	1682129	QNJARJUWDWNJMF-KVVJQUGZSA-N	370.478	3.316	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OCCCO2	30678932	TZFMLCOYHUPHNC-UHFFFAOYSA-N	368.389	3.136	30	40	FGEB	
C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c(OC)c1	32724452	VHKALMKIDRISKD-UHFFFAOYSA-N	353.465	3.142	30	40	FGEB	
Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)C=CC2=O	899329	OEEOHKZVBKYMBA-UHFFFAOYSA-N	374.348	3.252	30	40	FGEB	biogenic,in-vitro
CC(C)(C)c1cc(C2[C@@H](C#N)C(=O)NC(=O)[C@@H]2C#N)cc(C(C)(C)C)c1O	1573085	CRFBLOBUNPXQCZ-CHWSQXEVSA-N	367.449	3.007	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCCC3	6111294	WWYBXZGFACJLDT-SNVBAGLBSA-N	364.492	3.176	30	40	FGEB	
Cc1nc(-c2ccccc2Cl)nc(SCCN2CCOCC2)c1C#N	20621676	HFBQPARPDPGGBZ-UHFFFAOYSA-N	374.897	3.401	30	40	FGEB	
Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1	58160570	QPKUKAAKLJJEER-UHFFFAOYSA-N	368.868	3.281	30	40	FGEB	
N#CCCN(Cc1ccco1)C(=O)Cc1cc(Cl)c2c(c1)OCCO2	58216213	NFAMMMKQGADOOF-UHFFFAOYSA-N	360.797	3.189	30	40	FGEB	
CC(C)/N=C1/S[C@@H](CC(=O)Nc2ccccc2F)C(=O)N1C(C)C	15227750	TZNXSCUVECCKSW-HMWBCQRISA-N	351.447	3.271	30	40	FGEB	
N#CCCSc1ccccc1NC(=O)c1ccc(N2CCOCC2)nc1	95953610	VKXWHLFWMKVATN-UHFFFAOYSA-N	368.462	3.176	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2	22608312	GHOHWLMGXIHTGN-GTNSWQLSSA-N	369.494	3.334	30	40	FGEB	
COc1ccc(OC)c(C=Nn2c(S)nnc2-c2ccc(C)cc2)c1	253616987	NBXUPSZCJXZRSP-UHFFFAOYSA-N	354.435	3.442	30	40	FGEB	
CCNc1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N	12421188	NYPNCTQCIKMMMD-UHFFFAOYSA-N	374.466	3.210	30	40	FGEB	
COc1ccc(C(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cc1	13638465	JWPIBXDDOPSAKF-UHFFFAOYSA-N	368.336	3.249	30	40	FGEB	
CC1(C)CC[C@@H](NC(=O)NCCNc2ncccc2C#N)c2ccccc21	60574608	AFXCXAJTWBVIFL-GOSISDBHSA-N	363.465	3.477	30	40	FGEB	
C=CCn1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)no2)c2ccccc21	64201373	JGVSUIOKDDEKAE-CYBMUJFWSA-N	353.378	3.308	30	40	FGEB	
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1	13727982	QFQGBJAKBCZVRY-JMIUGGIZSA-N	371.396	3.445	30	40	FGEB	
COc1ccc(CN(CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)cc1	97000578	KODYPOUXDUYCSX-UHFFFAOYSA-N	353.422	3.380	30	40	FGEB	
COC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1	409065740	MMRUXKSVQGRXLB-ODCIPOBUSA-N	353.300	3.098	30	40	FGEB	
N#Cc1c2c([nH]c(=NCc3cn4ccccc4n3)c1C#N)CCCCCC2	619474019	PQTJWOGHKATRDC-UHFFFAOYSA-N	356.433	3.166	30	40	FGEB	
N#CCSc1ccccc1C(=O)N1CCN(Cc2ccsc2)CC1	52410296	XOSOUOGSFTXLNS-UHFFFAOYSA-N	357.504	3.322	30	40	FGEB	
N#Cc1cnn(-c2nc(-c3ccc(Br)s3)cs2)c1N	2659629	NONKNRCZGOLEKO-UHFFFAOYSA-N	352.242	3.274	30	40	FGEB	
CCCCCCNC1=C(OC)C(=O)C(NCCCCCC)=C(OC)C1=O	100314479	SCTKPANJCGRCJC-UHFFFAOYSA-N	366.502	3.194	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CSc1nc2ncccn2n1	10074778	QAQBSTYYGYJLMN-UHFFFAOYSA-N	357.464	3.133	30	40	FGEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)C	409402359	DYXUPPBOBYDYCE-STEAMIEHSA-N	368.433	3.014	30	40	FGEB	
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(O)c(O)c1)CCCCC3	3252234	ZCORCNKBNOACPK-KEBDBYFISA-N	369.446	3.329	30	40	FGEB	
CCOc1ccccc1/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	409238347	WZXDCBFOYRIMTR-JCMHNJIXSA-N	368.433	3.074	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N\c1cc(C(=O)O)ccc1C	409221576	SEGWTNYWMINWRQ-BKUYFWCQSA-N	354.406	3.289	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(F)c2)no1	8744067	CWYFQBDQLBDNJO-MRXNPFEDSA-N	368.320	3.498	30	40	FGEB	
Cc1ccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)nc1	409365183	XMZRTCPOKPYKLW-UHFFFAOYSA-N	373.416	3.095	30	40	FGEB	
CC/N=C1/S/C(=C/c2ccc(OC)c(OC)c2OC)C(=O)N1CC	408930846	CUMRAZFZCLBHBY-UQOBALEFSA-N	350.440	3.025	30	40	FGEB	
Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2sccc2C#N)CC1	34800040	LCOCVMKAAPCJKL-UHFFFAOYSA-N	374.897	3.342	30	40	FGEB	
C=CCc1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC	223855385	FPWFAHUYSVKOTO-AWEZNQCLSA-N	373.474	3.318	30	40	FGEB	
C[C@H]1C[C@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn21	1776007763	WFBDMZOCBGIXFH-ZFWWWQNUSA-N	374.294	3.157	30	40	FGEB	
OC/C(I)=C\C(F)(F)C(F)(F)C(F)(F)F	16159255	AAIXLNBYXIVUKR-HNQUOIGGSA-N	351.987	3.131	30	40	FGEB	
Cc1ccc(S(=O)(=O)N2C(=O)[C@H](C)S/C2=N\c2ccccc2)cc1	17820402	UHYNFNRDDARRTI-FKEVTRRJSA-N	360.460	3.335	30	40	FGEB	
C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(C(F)(F)F)c1	8300622	ZDPCONWDOMFXNL-HEHGZKQESA-N	351.372	3.171	30	40	FGEB	biogenic,in-vitro
Cc1nnc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1-c1ccccc1	3386048	XCEAENIAFVZJTM-ACJLOTCBSA-N	357.483	3.111	30	40	FGEB	
Cc1c(/N=C/c2coc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	2321603	GOWFGJKJEKQZIO-WSDLNYQXSA-N	359.385	3.341	30	40	FGEB	
COc1ccccc1NC(=S)N/N=C/c1c[nH]nc1-c1ccc(C)o1	11153569	TZZVGMZABJRCAB-VXLYETTFSA-N	355.423	3.307	30	40	FGEB	
N#Cc1ccc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(F)c1	11222569	HYJNRJLJOUATGI-SFHVURJKSA-N	355.394	3.042	30	40	FGEB	
COc1ccccc1/C=C/C(=O)c1cc(Br)ccc(=O)c1O	4667457	DPJGKQFFWYJGRO-SOFGYWHQSA-N	361.191	3.420	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)SC1=S	409352760	YOHGBJJWUDZDOL-XYOKQWHBSA-N	366.420	3.086	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3c(C)ccc(C)c32)cc1OC	46085258	KJKLPFMVRNYYLZ-UZYVYHOESA-N	354.406	3.436	30	40	FGEB	
CC(C)c1nnc(C(=O)N2CCC(/C(O)=N/Cc3cccnc3)CC2)s1	328754088	DOOPUUNMPBUXSV-UHFFFAOYSA-N	373.482	3.065	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252514945	FJBZOHUXLUKREY-VAMGGRTRSA-N	371.458	3.100	30	40	FGEB	
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@@]12O[C@H]2c1ccc(Cl)cc1	5254694	AMIQPHHTWZOBRV-UFYCRDLUSA-N	367.836	3.276	30	40	FGEB	
COc1cc(Br)cc(/C=N/Nc2nc(C)cc(C)n2)c1O	5680567	GHZZNDPCPJFZCX-FRKPEAEDSA-N	351.204	3.016	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C#N)C1	4275186	HLBRVBZTAMXDNZ-BQYQJAHWSA-N	351.431	3.176	30	40	FGEB	
N#Cc1ccccc1N1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1	52801133	HDBDJAYATWYTDB-QFIPXVFZSA-N	374.488	3.090	30	40	FGEB	
C/C(=N\NC(=S)N1CCC(c2ccccc2)CC1)c1nccnc1C	6483751	NPBSVADWEFQYEE-PXLXIMEGSA-N	353.495	3.263	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C)cc1	2487277	UGGHADDEDAMHSL-CJNGLKHVSA-N	356.447	3.373	30	40	FGEB	
COc1cccc2cc(C(=O)Nc3ccc(C)cc3)/c(=N/OC(C)=O)oc12	20849260	RMJWFUFMSBJWRV-XDOYNYLZSA-N	366.373	3.381	30	40	FGEB	
CN(CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)OC(C)(C)C	101735439	MIVLGVFHYVLBRX-LDADJPATSA-N	358.482	3.141	30	40	FGEB	
COc1ccccc1C(=O)OCC(=O)N(CCC#N)c1ccc(C)cc1	2653286	ZGYAAHHIJWHULG-UHFFFAOYSA-N	352.390	3.107	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)NCCc3cccc(Cl)c3)CC2)nc1	24334192	NCCGWUBLUCOFTQ-UHFFFAOYSA-N	368.868	3.182	30	40	FGEB	
C=CCOc1ccc(CN(C)Cc2cccc(S(=O)(=O)N(C)C)c2)cc1	3336269	XFHQPELOYWURBZ-UHFFFAOYSA-N	374.506	3.134	30	40	FGEB	
Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1Cl	4699975	GGFPKLVPCCPCER-UHFFFAOYSA-N	357.797	3.114	30	40	FGEB	
C=CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1C1CC1	9883556	FASOEELCKWEXHA-NSHDSACASA-N	353.451	3.431	30	40	FGEB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc(C)c(C)c1C#N	409059413	XEQUMWCMYGNEDF-UHFFFAOYSA-N	351.409	3.254	30	40	FGEB	
N#Cc1ccc(N2CC[C@H](COc3ccc(-c4ccccc4)nn3)C2)cn1	1888897668	WRBLYMKOHFKWTR-INIZCTEOSA-N	357.417	3.316	30	40	FGEB	
CC(C)(C)c1cn2nc(N3CCN(Cc4ccc(C#N)cc4)CC3)ccc2n1	1888906422	NTRKJOARKKSYOW-UHFFFAOYSA-N	374.492	3.221	30	40	FGEB	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(c2)COCO3)cc1	101637031	JEVQOZRHBFHHJF-QGZVFWFLSA-N	350.374	3.077	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CCc1cc(C(C)=O)c(C)o1	27393852	UWZRRFZLDMOBQX-UHFFFAOYSA-N	354.406	3.278	30	40	FGEB	
Fc1ccc([C@@H](C/N=C(/S)NC2CCCCC2)N2CCOCC2)cc1	13688131	XQLMGACVXFXMOY-GOSISDBHSA-N	365.518	3.407	30	40	FGEB	
Cc1nnc(/N=C2/S/C(=C/C3=Cc4ccccc4OC3)C(=O)N2C)s1	13728181	MTPDAMCQJSJOBS-LEOYLKIESA-N	370.459	3.399	30	40	FGEB	
C=CCN(Cc1ccccc1OC)S(=O)(=O)c1ccc(C(C)=O)cc1	14112534	TWDNWYUWFPGUSK-UHFFFAOYSA-N	359.447	3.275	30	40	FGEB	
COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1O	18195584	UPMJEPIFXMJMDG-ZDUSSCGKSA-N	355.394	3.030	30	40	FGEB	
CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)S1	7883470	OVEJTSBQQYAGIG-MRXNPFEDSA-N	355.463	3.412	30	40	FGEB	
N#CC1(C(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)CCCCC1	96003003	UMMMUEKBBLDWKX-ZDUSSCGKSA-N	354.376	3.413	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1	409022086	IVXXOENPUXKXJQ-FYJGNVAPSA-N	365.414	3.439	30	40	FGEB	
COc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@@H]2c2ccc(OC)cc2)cc1	55190211	BQEJVYDRCGJWFJ-UKKLRFBMSA-N	367.449	3.289	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(C)c1	224647694	SAHNRAIWAYJJLT-UHFFFAOYSA-N	356.447	3.451	30	40	FGEB	
CC1(C)C(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccc(Cl)cc21	96181627	SLZAYQHEHCZOKN-UHFFFAOYSA-N	353.809	3.475	30	40	FGEB	
COC(=O)c1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1	4481169	CYGOFMJVFDNSER-FYJGNVAPSA-N	372.388	3.048	30	40	FGEB	
C=C(C)CN(CC)C(=O)COC(=O)c1cc(C2CC2)nc(SC)c1C#N	12846927	DHMTZFXDXFXZTE-UHFFFAOYSA-N	373.478	3.134	30	40	FGEB	
CNC(=O)c1ccc(/C=C/C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	48829708	BHPCOMLZCUUXHV-ULYATVDSSA-N	373.334	3.350	30	40	FGEB	
COc1ccc(C[C@@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1	4712944	KDXYFBGKYMELHR-RSZPVBOMSA-N	353.447	3.250	30	40	FGEB	
Cc1cc(NC(=O)NCCNc2ncccc2C#N)ccc1N1CCCC1	84090355	LKQJRSIHRMBERI-UHFFFAOYSA-N	364.453	3.096	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	17073134	BEBWHSRJJYOXFZ-LFIBNONCSA-N	353.241	3.152	30	40	FGEB	
C=CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408942549	ZGIAXAWQWHFXKV-NTCAYCPXSA-N	366.348	3.057	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C/C(=N/OCCN)CC[C@@]43C)[C@H]1CCC2=O	299848346	MPYLDWFDPHRTEG-WEZLGCDESA-N	360.498	3.109	30	40	FGEB	
C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)C/C(O)=N/c1cccc(F)c1	82108728	GUDWBYLEDQBCOS-HNNXBMFYSA-N	374.460	3.419	30	40	FGEB	
CCCCOC1(NC(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC(=O)C=C1C	16807579	KGKNVAHEYXORBY-UHFFFAOYSA-N	358.394	3.313	30	40	FGEB	
COc1ccc(C/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	17161695	RKWYGFXOYQMWJQ-IUXPMGMMSA-N	360.326	3.161	30	40	FGEB	
CSc1nc(C2CC2)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1	1888879634	VUEXEIPNYYHQBT-UHFFFAOYSA-N	365.506	3.270	30	40	FGEB	
CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CS1	13116136	KIROAKOJWSPBPM-UHFFFAOYSA-N	360.508	3.155	30	40	FGEB	
CCC/C(Nc1ccc(N)cc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	100162988	ROSACZVAPBIXQQ-WAIALKQBSA-N	358.438	3.092	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)Cc1cc(Cl)c2c(c1)OCCO2	10447015	DJDWQOLQIZXLEK-UHFFFAOYSA-N	359.765	3.140	30	40	FGEB	
Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1C[C@@H]1CCCO1	3542554	RLYRRDBIKXVLMU-SFHVURJKSA-N	366.417	3.195	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1ccc([N+](=O)[O-])cc1	17205948	GPQVABYJLAPPDY-UHFFFAOYSA-N	366.372	3.319	30	40	FGEB	
Cc1cc2nc(N=C3NCN(Cc4ccccc4)CN3)nc(C)c2cc1C	19320798	NCRLUEOBTKNQPU-UHFFFAOYSA-N	360.465	3.153	30	40	FGEB	
C#CCN(Cc1ccco1)C(=O)Nc1cccc(OCCn2cccn2)c1	63392390	AXAMIPIRVSGFHW-UHFFFAOYSA-N	364.405	3.222	30	40	FGEB	
CCc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccc(F)cc1	40396712	BLBLWTGIHJYXKH-UHFFFAOYSA-N	368.437	3.343	30	40	FGEB	
O=C[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	225643921	HMTZHBTZFZNPHU-ARFHVFGLSA-N	365.248	3.204	30	40	FGEB	
CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1cn4ccccc4c1C#N)[C@@H]3C2	329520649	QLAOTEPECQBHDN-ZTNFWEORSA-N	369.490	3.151	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S	231412863	MIOLJNWUQDOPHR-GXDHUFHOSA-N	372.833	3.413	30	40	FGEB	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)CC(=O)OC(C)C)n1	12953908	ZUCVFTJBSBDDJW-UHFFFAOYSA-N	360.357	3.283	30	40	FGEB	
Cc1n[n+](CC(=O)c2ccc(Cl)c(Cl)c2)c(/N=C/N(C)C)s1	4276875	VLDWQKCVIBCWBW-UHFFFAOYSA-N	358.274	3.150	30	40	FGEB	
CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)nn1	1888864309	MRFJKMFOMXSQLZ-INIZCTEOSA-N	364.449	3.187	30	40	FGEB	
CCOc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccc(F)cc3)N2)cc1	987726	CMEHVKKHIIWWKI-MRXNPFEDSA-N	370.384	3.169	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2CCCC[C@@H]2C)n(Cc2ccco2)c1C	6881221	AEUONXWNOMGFJF-AWEZNQCLSA-N	354.454	3.431	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2cccs2)CC1	14158426	DRVUJIGHLHKORH-DVBCCOPCSA-N	355.438	3.309	30	40	FGEB	
C=CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1	8074741	BNVKRLSIUPHPRC-UHFFFAOYSA-N	363.417	3.472	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CNc1c(F)cc(F)cc1Br	96006464	ZMMGIJIFSSHPGR-CQSZACIVSA-N	360.202	3.194	30	40	FGEB	
CN1CCN(CC#C[C@@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1	20111512	SVAGWPUEXZOYPV-NWSQWKLXSA-N	368.521	3.335	30	40	FGEB	
NC(=O)COc1cccc(/C=C2\SC(O)=N\C2=N/c2ccccc2)c1	71286491	YAEXSHPUEVNRLF-GDNBJRDFSA-N	353.403	3.283	30	40	FGEB	
COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(OCC#N)cc1	55010946	XKNHHZMIKZCHFY-ZDUSSCGKSA-N	370.430	3.495	30	40	FGEB	
N#Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1	579562231	VMFQUSCGJTTWQR-OAHLLOKOSA-N	352.356	3.379	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(C)cc2)s1	32891701	WUQCJLJFRMWJGW-UHFFFAOYSA-N	352.441	3.159	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100299994	FFRJRVSCSJRNDF-HOWOVSRCSA-N	370.836	3.126	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1	20765915	RBLDYKSYTVPLJS-UHFFFAOYSA-N	370.474	3.052	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)n1	7782437	NJXMKITVNONDNA-UWRLEFKFSA-N	358.463	3.243	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C	64085669	OTPIXRYRQCXFCK-ACWOFJMJSA-N	357.498	3.373	30	40	FGEB	
COc1cccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)c1	8247849	LECLSJPFCMIIDA-CYBMUJFWSA-N	369.808	3.212	30	40	FGEB	
C=CCN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1nc2ccccc2s1	15640062	CCULDKGAYGRBOZ-UHFFFAOYSA-N	371.422	3.237	30	40	FGEB	
Cn1nc(-c2ccccc2)c2c(NC(=O)c3ccc(F)c(C#N)c3)[nH]nc21	512962019	NQIXRNZTRDGEJK-UHFFFAOYSA-N	360.352	3.226	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1	78961702	USNXATJGKCDWQO-UHFFFAOYSA-N	357.841	3.108	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O	16185280	OCXRSLZMMPCDEY-WVEXTXKBSA-N	358.825	3.270	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCn1c(C)nc2ccccc21	10737330	BZNUKLOUVVYDMW-UHFFFAOYSA-N	373.416	3.339	30	40	FGEB	
N#Cc1ccc(CN2CCN(c3cc(C(F)F)nc(C4CC4)n3)CC2)cc1	1888876045	GJARDAVUJRTSJQ-UHFFFAOYSA-N	369.419	3.485	30	40	FGEB	
Cc1sc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(C#N)c1C	24464487	BRVFVGJRFBRXLC-GFCCVEGCSA-N	369.446	3.379	30	40	FGEB	
C=CCN1CC2(CCN(C(=O)c3csnn3)CC2)c2cc(Cl)ccc21	1565551911	URJIKCBNXUNBTM-UHFFFAOYSA-N	374.897	3.372	30	40	FGEB	
Cc1ccc(S(=O)(=O)CCC(=O)Nc2sc(C)c(C)c2C#N)cc1	4570342	AJCBIQCZRHCCCD-UHFFFAOYSA-N	362.476	3.348	30	40	FGEB	
CCc1nn2c(=O)c(CCC#N)c(C)[nH]c2c1-c1ccc(OC)c(OC)c1	10338593	DOIZNVQPWOBNPI-UHFFFAOYSA-N	366.421	3.034	30	40	FGEB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C#N)c1	11370906	WVIUIHFHIJVNRI-HNNXBMFYSA-N	357.413	3.397	30	40	FGEB	
Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C#N)[nH]n2)cc1	11493994	WAUNPWHVSCQMNF-UHFFFAOYSA-N	360.373	3.052	30	40	FGEB	
N#Cc1c(OCC(=O)NCc2ccco2)nc(-c2ccccc2)c2c1CCC2	12324734	FNCKAVGFOLWLBO-UHFFFAOYSA-N	373.412	3.397	30	40	FGEB	
CCOc1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1	9419763	HQNQLYKTOPOSDL-YVLHZVERSA-N	360.387	3.040	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	14188698	XOLHSISAEXEENB-SFHVURJKSA-N	359.351	3.127	30	40	FGEB	
COc1ccccc1/C=N/n1c(SCC(=O)O)nnc1C1CCCCC1	7785887	OUAYVBPQFHJROB-YBFXNURJSA-N	374.466	3.393	30	40	FGEB	
CSc1ccccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	409249826	PAFFIJZENAAMMC-KGENOOAVSA-N	370.474	3.397	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1	30523720	SSRWMZWCFYHQGV-UHFFFAOYSA-N	366.461	3.014	30	40	FGEB	
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224790442	CLLMLDCQEFMYKW-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1	330253893	OXPGHAOFEKFBML-BBRMVZONSA-N	353.447	3.008	30	40	FGEB	
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1	17057501	QEWVDHROKJXSQZ-KRWDZBQOSA-N	373.412	3.476	30	40	FGEB	
Cc1ccc(/N=C2/S[C@H](CC(=O)NCc3ccccc3)C(=O)N2C)cc1	3667455	FMENKEFAAAOSDG-MBOBHEEDSA-N	367.474	3.263	30	40	FGEB	
COC(=O)c1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1	12390432	IFYDXVDPGGVVMP-OAHLLOKOSA-N	368.393	3.078	30	40	FGEB	
N#C[C@@H](C(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2s1	41502848	VXNGPKBOWTWRHI-LBPRGKRZSA-N	363.398	3.471	30	40	FGEB	
CCCCN1C(=O)CC[C@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccccc1OC	23140843	ZPAIJNGVIZDHSU-YOEHRIQHSA-N	371.441	3.181	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1OC	48362633	JCBPPTMOEBQRNY-UHFFFAOYSA-N	351.406	3.077	30	40	FGEB	
COc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)c1	22608367	MLTQMNRPCWJDGC-QFYYESIMSA-N	356.451	3.277	30	40	FGEB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)c(C#N)c1	9387575	AOSDDJFAHIRFLL-UHFFFAOYSA-N	360.757	3.179	30	40	FGEB	
Cc1cccc(OCC[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	6566214	UAJMYQRJJYLQDZ-HNNXBMFYSA-N	352.390	3.314	30	40	FGEB	
COc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	6583335	NTYFZGXVMYCJQJ-KPKJPENVSA-N	371.458	3.376	30	40	FGEB	
CC1=NOC(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	408942393	QOMAGJQHBAIRPC-GZTJUZNOSA-N	357.387	3.079	30	40	FGEB	
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC1(C#N)CCCCC1	7904798	NRJLLEHFIMXJJQ-GFCCVEGCSA-N	359.499	3.314	30	40	FGEB	
C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1	223754959	IBIOADNIJBLIJD-UHFFFAOYSA-N	365.426	3.220	30	40	FGEB	
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225080231	NOGTVUGDLSEAQG-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCCn4ccnc4)[C@H]3C[C@@H]12	3984179	GVQXMWUKRNTWTN-GQUPQBGVSA-N	357.498	3.177	30	40	FGEB	biogenic
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)n1C	4947929	FFWSWTXDMUBJPZ-LBPRGKRZSA-N	367.434	3.375	30	40	FGEB	
N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1[C@H](C#N)Cc1ccccc1	20268301	NIVVOMTWOIDRAW-INIZCTEOSA-N	356.433	3.247	30	40	FGEB	
CCN(CC)C(=O)c1sc(NC(=O)COc2ccccc2)c(C#N)c1C	871545	DANIXYFXXTXYQI-UHFFFAOYSA-N	371.462	3.428	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)cnc2ccccc21	32505029	MZBYUWLXAGMQJC-UHFFFAOYSA-N	373.865	3.326	30	40	FGEB	
CC(=O)c1cc(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc1C	32741630	HOTPJYFXVYOGKF-QGZVFWFLSA-N	353.447	3.386	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCCO2)n(-c2ccccc2)c1C	89545098	ZTWCXEQGDRYFJV-GOSISDBHSA-N	366.465	3.015	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCc2nc(-c3ccccc3C)no2)cc1	23657772	NWAQIJNDJJWWGK-RGVLZGJSSA-N	351.362	3.382	30	40	FGEB	
Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1	56129714	PZGMQENABCJNOG-UHFFFAOYSA-N	368.458	3.150	30	40	FGEB	
C=CCn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCCC3	13684795	XSOOPYHCJBSKLZ-UHFFFAOYSA-N	363.446	3.233	30	40	FGEB	
CCN1C[C@@H](CN(C)C(=S)Nc2ccccc2C#N)Oc2ccccc21	84779970	QEGFPXKLBGYKHL-MRXNPFEDSA-N	366.490	3.474	30	40	FGEB	
COCc1cc(C)nc(N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1C#N	33930635	JGKUFCMHYZIOQO-UWVJOHFNSA-N	359.773	3.416	30	40	FGEB	
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@@H]2c1ccc(Cl)cc1	13786891	AMIQPHHTWZOBRV-HSALFYBXSA-N	367.836	3.276	30	40	FGEB	
C#CCOC(=O)c1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1	226317576	SNBQSABBMNIKPJ-UHFFFAOYSA-N	367.357	3.311	30	40	FGEB	
CCN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@H](C)c1ccc(C#N)cc1	45499434	AUPYOYXUGVCRCT-GFCCVEGCSA-N	350.344	3.383	30	40	FGEB	
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(SC)cc1)CC(=O)N2	4944372	JMHIXIVIBVSFOL-LBPRGKRZSA-N	359.476	3.244	30	40	FGEB	
C=CCn1c(S)nc2cc(C(=O)N(C)Cc3ccc(C)o3)ccc2c1=O	32718899	YBCPAMQPZDYJRM-UHFFFAOYSA-N	369.446	3.045	30	40	FGEB	
O=C1COc2ccc(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1	7442762	SHUPOADQSIXOHD-GORDUTHDSA-N	358.737	3.475	30	40	FGEB	
CCOc1cc(-c2cccnc2)nc(SCC(=O)CC(C)=O)c1C#N	101668980	OODHUDLTSFUZEN-UHFFFAOYSA-N	355.419	3.054	30	40	FGEB	
CC/N=C1/S[C@H](CC(=O)Nc2ccccc2SC)C(=O)N1CC	1237861	HMTYYZFOOJFSFS-PHODEOQFSA-N	351.497	3.077	30	40	FGEB	
CC(C)C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O	3222373	UJAARRIFHPTDMG-SFHVURJKSA-N	361.401	3.208	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1C#N	409410972	BPEBWEONTWYODH-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccccc2)C1=O	3579789	UGHWXRBCRBKILA-NIQDBXHUSA-N	359.332	3.089	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@](C)(C#N)CCOC(C)C	84016976	NBFWMDZLMVGYPR-NRFANRHFSA-N	368.481	3.245	30	40	FGEB	
C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ncccc1OCCCC#N	97164550	XBKTZCKLNQFFLZ-JKSUJKDBSA-N	360.458	3.481	30	40	FGEB	
C=C(C)CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1	28051478	JVUXQVHPGPCODT-UHFFFAOYSA-N	362.429	3.280	30	40	FGEB	
COc1ccc(OC)c(NC(=O)/N=C(\c2ccccc2)N2CCOCC2)c1	226751953	DZQGWIXIFXQWPC-ZBJSNUHESA-N	369.421	3.015	30	40	FGEB	
N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)n1	96073873	JTOFNCOKBBJCSH-FPOVZHCZSA-N	366.440	3.328	30	40	FGEB	
CCCCCCCCCCCCCCCC(=O)N(CC(N)=O)CC(N)=O	97949642	NDPKXQNCXIXOSG-UHFFFAOYSA-N	369.550	3.267	30	40	FGEB	
CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CCOCC1	31120775	IEZSCZZDGGSWJN-OXJNMPFZSA-N	372.513	3.055	30	40	FGEB	
CN(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1	25102560	LIMXMYGTFMFKKU-UHFFFAOYSA-N	357.454	3.164	30	40	FGEB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)C2(C#N)CCCC2)ccc1C	52738534	HLRXUTQQLWCAHN-UHFFFAOYSA-N	363.483	3.048	30	40	FGEB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(C#N)cc1Cl	7857394	NDIGLCNTGFLEIA-UHFFFAOYSA-N	372.808	3.368	30	40	FGEB	
Cc1ccc(CN2CCCN(CC(=O)Nc3ccccc3C#N)CC2)cc1	22830904	QPMVAEHPUXUTTR-UHFFFAOYSA-N	362.477	3.013	30	40	FGEB	
N/C(Cc1ccccc1Cl)=N/OCC(=O)N1CCCc2ccccc21	58498005	ZJPMDLOFZULYIT-UHFFFAOYSA-N	357.841	3.151	30	40	FGEB	
N#Cc1ccccc1OCC(=O)OCc1nc2ccccc2n1C(F)F	14902398	YJEMAMSOIURFEN-UHFFFAOYSA-N	357.316	3.425	30	40	FGEB	
N/C(=N\O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	98071658	ROHLBMBCFADFMX-UHFFFAOYSA-N	365.433	3.394	30	40	FGEB	
COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc1OC	252394236	AWEANZUJKYLFLB-UHFFFAOYSA-N	354.435	3.442	30	40	FGEB	
C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)N=N1	1775988819	KSXZBWYURWSVKW-GUDVDZBRSA-N	351.450	3.373	30	40	FGEB	
C=CCn1c(SCc2nnc(-c3ccco3)o2)nnc1-c1ccncc1	6907618	JXSCLBOGUDTWIV-UHFFFAOYSA-N	366.406	3.461	30	40	FGEB	
COc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(C#N)cc3)co2)cc1	40070260	MXRRXEKVRHPTOW-UHFFFAOYSA-N	368.414	3.337	30	40	FGEB	
C[C@@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1sccc1C#N	32774265	HWEIEFYWWOSFAR-SECBINFHSA-N	366.345	3.405	30	40	FGEB	
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1	2704751	OPINVLDTIRJDKO-GOSISDBHSA-N	363.369	3.238	30	40	FGEB	
CCOC(=O)[C@@H](C#N)[C@H](c1ccc2c(c1)OCO2)c1ccccc1OC	915652	VUELZPLNAANNNG-HNAYVOBHSA-N	353.374	3.259	30	40	FGEB	
Cc1nc(-c2nnc(C(F)(F)C(F)(F)C(F)(F)C(F)F)o2)c(N)o1	101412498	YGHMOJHEGKDWLB-UHFFFAOYSA-N	366.168	3.243	30	40	FGEB	
COc1cccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1	13768837	MJLQCFLMUGMOFO-UHFFFAOYSA-O	366.416	3.175	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2C)cc1	38855798	AQFVDNGCWUSURZ-UHFFFAOYSA-N	374.444	3.408	30	40	FGEB	
Cc1cc(C)cc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408740769	MHYKNUYANFKSGD-YODDIOPGSA-N	351.431	3.070	30	40	FGEB	
N#Cc1cccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)c1	72333962	ODSCIXVXCXBQAF-UHFFFAOYSA-N	362.307	3.050	30	40	FGEB	
CCc1ncsc1N=C(O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C	328932555	PFAKIAFTQLWQBU-BLLLJJGKSA-N	373.482	3.169	30	40	FGEB	
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC)cc1	224598634	WRRPVGNBFYWFNE-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
COc1c(O)cc(/C=N/Nc2nc(C)cc(C)n2)cc1Br	8306369	PULVQWHHMBJNAU-FRKPEAEDSA-N	351.204	3.016	30	40	FGEB	
CCCN(CCC)C(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1	5238218	LELLPMUIMGHCEI-UHFFFAOYSA-N	370.478	3.049	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)NC1CCCCC1	6926514	OBLQJRVLOWWXNP-UHFFFAOYSA-O	358.893	3.491	30	40	FGEB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(C#N)c2)cc1	57512073	DDPRZBDRAMZUHQ-NRFANRHFSA-N	363.461	3.446	30	40	FGEB	
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)n1ncnc1N2	18197597	IECLEMGTXFDCFA-KPZWWZAWSA-N	364.430	3.461	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O	104423958	GDYKIPWWXDATPK-YITAFCLASA-N	369.527	3.129	30	40	FGEB	
O=C1/C(=C/c2ccccc2Cl)Oc2c1ccc(O)c2CN1CCOCC1	4339698	BNYGCVXOQSIMCT-WQRHYEAKSA-N	371.820	3.494	30	40	FGEB	
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c1O	408718010	BFDMDGXCUMNQLL-RIYZIHGNSA-N	371.374	3.201	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2	222715772	VDKMXQPGXHVZPS-UHFFFAOYSA-N	364.445	3.499	30	40	FGEB	
CC/N=C1\S/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)C(=O)N1CC	96476014	PJGXZYYGGPIJRB-XBLVXMFCSA-N	368.842	3.116	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccco2)s1	13728094	VOZMNHHZNHPZCN-GFCCVEGCSA-N	373.415	3.284	30	40	FGEB	
Cc1cccc(N2C[C@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)c1C	26255033	QSANABSNRDPAEK-SNVBAGLBSA-N	367.331	3.081	30	40	FGEB	
N#CC1(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)CCCCC1	6121150	GKBLWSLJXZTYJL-ZHACJKMWSA-N	363.417	3.134	30	40	FGEB	
N#Cc1cccc(COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1	6102323	HDYIJNVXYKFMQZ-UHFFFAOYSA-N	363.200	3.338	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	4436140	OASMAXLHIQCLGU-MRXNPFEDSA-N	356.451	3.421	30	40	FGEB	
N#Cc1ccc(NC[C@@H](O)COc2ccc(F)cc2)c(Br)c1	95976200	WXJJUBNIPKTBGU-CYBMUJFWSA-N	365.202	3.312	30	40	FGEB	
C=CCc1cc(CO)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1	409109469	FONAKECGJSYNNZ-UHFFFAOYSA-N	362.447	3.382	30	40	FGEB	
CCc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3)CC2)n1	256047700	OAPWADCSWMRYMX-UHFFFAOYSA-N	358.449	3.028	30	40	FGEB	
Cc1ccc(S(=O)(=O)OC[C@@H](C)NC(=O)OCc2ccccc2)cc1	4071330	QRSKPZVANSMRKF-OAHLLOKOSA-N	363.435	3.015	30	40	FGEB	
CN(Cc1ccc(Cl)s1)Cc1nc2ccccc2c(=O)n1CC#N	29032135	LZHRSLPXZKGSDI-UHFFFAOYSA-N	358.854	3.267	30	40	FGEB	
COCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O	12442522	PGFQNIHNWNYFSR-ODLFYWEKSA-N	367.401	3.110	30	40	FGEB	biogenic
Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)C(F)(F)[N+](=O)[O-])cc1	3145294	XVEGWWFGOLPCFW-CQSZACIVSA-N	357.334	3.311	30	40	FGEB	
CC(=O)c1ccc(O[C@@H](C)/C(O)=N/c2cccc(-c3nnn[nH]3)c2)cc1	38748046	ILTXRJRSHYTVDC-LBPRGKRZSA-N	351.366	3.125	30	40	FGEB	
O/C(=N\c1nnc(SCc2ccccc2F)s1)C1=COCCO1	14019971	LJQOJGSBAPLIOA-UHFFFAOYSA-N	353.400	3.446	30	40	FGEB	
CN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)S/C1=N/c1ccccc1	4679582	BONYPQSRSKIZOG-KERPIWHLSA-N	368.414	3.384	30	40	FGEB	
CC(C)CCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3ccccn3)cc2C1=O	6831230	XRGIOSXNAHRDMB-KRWDZBQOSA-N	361.401	3.214	30	40	FGEB	
Cc1ccc2nc(C3=C(N)N(Cc4ccccc4Cl)CC3=O)[nH]c2c1	19820079	JRNVCLGGSFXCNA-UHFFFAOYSA-N	352.825	3.237	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C)c3)c3n2CCC3)cc1	27299616	VUHFCKCUCVYKMN-UHFFFAOYSA-O	362.453	3.345	30	40	FGEB	
Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)cc1	409195850	REGXUFIRICRNPC-QXMHVHEDSA-N	357.369	3.281	30	40	FGEB	
COc1cc(/C=N/c2ccc(C(=O)O)cc2C)ccc1O[C@@H](C)C(=O)O	409012966	LRKOHKCAUGAPKD-QDBSGRMGSA-N	357.362	3.304	30	40	FGEB	
CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Br)cc1	224732318	ARWSDXNEKQFOGE-UHFFFAOYSA-N	365.252	3.340	30	40	FGEB	
N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[C@H](c2ccccc2)C1	256049455	ZZXWLUHVYFYNLM-HNNXBMFYSA-N	360.377	3.041	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C\c2cn([C@H](C)CC)c3ccccc23)C1=O	16611294	VORHNVGRCQJGGD-KWWJGWKXSA-N	351.406	3.260	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(O[C@@H](C)CC)c(Br)c1	6358362	QKBHVRLJDIAQGA-VJCPFXPRSA-N	358.305	3.444	30	40	FGEB	
N#CC1(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)CCCC1	1565544266	HFNYEPXZYWVUBE-UHFFFAOYSA-N	366.509	3.370	30	40	FGEB	
N#Cc1nccnc1N1CCC(COc2cccc(C(F)(F)F)n2)CC1	585532593	ULIQXNJNJXGVID-UHFFFAOYSA-N	363.343	3.057	30	40	FGEB	
COc1ccc(N2CCCC2=O)c(NC(=O)c2ccc(N=[N+]=[N-])nc2)c1	108517324	BCEJMPNLDCVIBM-UHFFFAOYSA-N	352.354	3.411	30	40	FGEB	
C=CCO[C@@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12	8297123	YNWXTOGXASCIMN-MOPGFXCFSA-N	366.392	3.231	30	40	FGEB	biogenic,in-vitro
CC(C)CC[C@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1	46087046	QTSUXXWRBZFFDM-SFHVURJKSA-N	356.514	3.011	30	40	FGEB	
CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O	9420404	VYCNGHZEGZJBNQ-NVNXTCNLSA-N	350.779	3.295	30	40	FGEB	
Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1cccc([N+](=O)[O-])c1	13563910	RFGWHFPMVQSHOT-ANYDIMBLSA-N	368.418	3.369	30	40	FGEB	
C=CCN1C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C1c1ccccc1	19939354	VNHRVCPUZCOFAZ-UHFFFAOYSA-N	351.250	3.465	30	40	FGEB	
COc1cc(-c2nnc(COc3ccccc3C#N)o2)cc(OC)c1OC	7016316	IZJCSUUIEWCQDT-UHFFFAOYSA-N	367.361	3.213	30	40	FGEB	
C[C@@H](OC(=O)CCn1ccc2ccccc21)C(=O)Nc1cccc(C#N)c1	7223059	NFBWUYNYCXQBIK-OAHLLOKOSA-N	361.401	3.473	30	40	FGEB	
Cc1ccc(-c2c[nH]c(=N)c(C#N)c2-c2ccc(OCC(=O)O)cc2)cc1	408986994	UHAFYJDFLMQRRO-UHFFFAOYSA-N	359.385	3.472	30	40	FGEB	
N#C[C@H](c1nc2ccccc2s1)[C@@H](c1ccccc1)N1NC(=O)CC1=N	137090196	KDYAKARYKLSQMC-SCLBCKFNSA-N	361.430	3.359	30	40	FGEB	
CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F	13408119	VYEJNEIPXFJROE-OCKHKDLRSA-N	357.115	3.456	30	40	FGEB	
COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	103502832	HBSHDPASNLAVHX-CYBMUJFWSA-N	360.797	3.075	30	40	FGEB	
Cc1c(C#N)c(SCC(=O)Nc2nc3c(s2)CCC3)nc2c1CCC2	53570323	WIKYXBIBRBEGDS-UHFFFAOYSA-N	370.503	3.426	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2)CC1	12544024	QIPHOSNEHJZBEW-OAHLLOKOSA-N	368.868	3.361	30	40	FGEB	
N#Cc1cn(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O	57739669	GOSSXXMMZFDOHQ-LJQANCHMSA-N	357.413	3.067	30	40	FGEB	
COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1	58161029	ULGOEDBYFRQDNC-UHFFFAOYSA-N	356.325	3.386	30	40	FGEB	
C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C)c1	58215498	XQCWMTMKKQEXGD-UHFFFAOYSA-N	352.207	3.150	30	40	FGEB	
Cc1ccc([C@@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1	27750090	OFIOYEIQUNJXOQ-GOSISDBHSA-N	354.454	3.464	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195657	CMODRIVVPAKUGG-QGZVFWFLSA-N	358.401	3.125	30	40	FGEB	
CN1CCc2c(C#N)c(NC3CCCCC3)nc(NC[C@H]3CCCO3)c2C1	13817466	UQGSIDMQNAEDIH-MRXNPFEDSA-N	369.513	3.277	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1C1CC1	20969885	CCKFNOFTTZGACL-UHFFFAOYSA-N	354.479	3.019	30	40	FGEB	
C/C(=N\Nc1nc(N2CCCC2)nc(N2CCCC2)n1)c1ccc(F)cc1	408724861	BUUMAYJCVUAPGR-ZVHZXABRSA-N	369.448	3.047	30	40	FGEB	
C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccc(C#N)cc2)CC1	23903891	OUXHUHSJTVSJSG-HNNXBMFYSA-N	353.470	3.118	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)CSc2ccc(F)cc2)CC1	96119282	DWWLNRNAQIRVAH-UHFFFAOYSA-N	371.437	3.254	30	40	FGEB	
Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2	15015946	OUNDAIKONDXYID-PFONDFGASA-N	353.378	3.348	30	40	FGEB	
N#Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c(Cl)c1	15335673	BJORIJZQJNGWAE-UHFFFAOYSA-N	365.794	3.141	30	40	FGEB	
O=C(/C(=N/Nc1cn[nH]c(=O)c1Cl)c1ccccc1)c1ccccc1	17863008	QFAOICFSALFBQW-CJLVFECKSA-N	352.781	3.122	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc2cccnc12	6240782	RDXRWFXZZJITRU-OOXYOOLHSA-N	374.425	3.001	30	40	FGEB	
CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(C(=O)OC)cc2)c1C	5262269	MYNJPSYCDHVGED-DHZHZOJOSA-N	355.390	3.491	30	40	FGEB	
Cc1occc1C(=O)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1	40153761	VPXNCKCJQCPREQ-UHFFFAOYSA-N	354.366	3.085	30	40	FGEB	
N#C[C@H](C(=O)Nc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O	1625193	WJXMCGGGLJDFDA-AWEZNQCLSA-N	350.761	3.337	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	4540800	SZWWBNLWNZJLQP-YJBOKZPZSA-N	367.401	3.345	30	40	FGEB	
CCCC(=O)N1CCN(c2oc(/C=C/c3ccccc3)nc2C#N)CC1	21799519	ZFBUXIRNNFRACP-MDZDMXLPSA-N	350.422	3.165	30	40	FGEB	
Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@@](C)(C#N)C2CC2)n[nH]1	14093418	IPKCVHIGKLYOSE-VQFGERMISA-N	367.478	3.184	30	40	FGEB	
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1ccccc1C#N)(C3)C2	18955639	DBBNUOVCMZDCAY-XBLGPDGASA-N	352.434	3.077	30	40	FGEB	
CC(C)n1cc(C#N)c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1	79103051	HDZCZAFBMWLOQD-UHFFFAOYSA-N	358.345	3.155	30	40	FGEB	
Fc1ccc(OCc2ccc(/C=N/n3cnnc3S)o2)cc1Cl	36611476	KLXMAOLKRMEBPB-NGYBGAFCSA-N	352.778	3.414	30	40	FGEB	
OC1=N[C@@H]2CCCC[C@H]2N(/C(O)=N/Cc2c(F)cccc2N2CCCC2)C1	329340414	OGCWLKHLEKEAJV-SJLPKXTDSA-N	374.460	3.423	30	40	FGEB	
CC[C@]1(C)NC(=O)N(/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O	36843867	CLLLCKNIDPLRCA-QHBNVQQXSA-N	368.220	3.476	30	40	FGEB	
COc1c(F)c(F)c(C(=O)/C=C2/Nc3ccccc3NC2=O)c(F)c1F	18153542	FBFMAYVZWJLYNM-RMKNXTFCSA-N	366.270	3.382	30	40	FGEB	
Cc1cccc(/N=C2\S/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2C)n1	5520377	JQVUPLFPJKUPAY-SQTQCTRYSA-N	353.403	3.322	30	40	FGEB	
CC(C)(C)c1cc(N2CCN(c3ccc(C#N)nc3)CC2)nc(C2CC2)n1	1888849810	PFIXDCLIWQEKGC-UHFFFAOYSA-N	362.481	3.245	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C#N)C1	4275195	AFBKHRQAIHITAY-UHFFFAOYSA-N	353.447	3.394	30	40	FGEB	
C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(OC)c21	100909675	XRUVKHYDPQLVQS-MSUUIHNZSA-N	359.363	3.140	30	40	FGEB	
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccnc1)c1ccco1	796022	POGSBIMVYXWKSS-IBGZPJMESA-N	374.396	3.496	30	40	FGEB	
CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(C2CCCC2)C(C)=C1C(C)=O	12419560	QALRTRHMTRZCAP-QGZVFWFLSA-N	374.403	3.242	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl	3273707	ZNADWVSYPOUGTJ-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
O=C(c1cccs1)N1CCC(/C(O)=N/c2nc(C(F)(F)F)n[nH]2)CC1	12974012	VAHOUELRYITFNM-UHFFFAOYSA-N	373.360	3.025	30	40	FGEB	
CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1	5025889	FJSNSMNAAAEJGI-GJZGRUSLSA-N	352.438	3.426	30	40	FGEB	
O=C(O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1	4871808	YBPTXUXIDZGPEX-DVSFIDLUSA-N	354.431	3.336	30	40	FGEB	
C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1	1776007491	GMZXFGGNXGZAJZ-UONOGXRCSA-N	363.238	3.288	30	40	FGEB	
N#CCCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1ccccc1	5401024	HROYNIXUIVDQJH-UHFFFAOYSA-N	361.401	3.200	30	40	FGEB	
Cn1/c(=N\N=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)sc2ccccc21	12528938	USKPZTRSIWZLMW-KNTRCKAVSA-N	353.363	3.055	30	40	FGEB	
CC(C)(C)c1nnc(/N=C(\O)CN2CCC[C@@H](Cn3ccnc3)C2)s1	19715450	XFXCTYKRCDDTDV-CYBMUJFWSA-N	362.503	3.032	30	40	FGEB	
Cn1c(N/N=C/c2ccc(I)o2)nc2ccccc21	7343349	CTOCCHVWQNGGNE-OVCLIPMQSA-N	366.162	3.217	30	40	FGEB	
COc1ccccc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nccn1C	17591356	LLNJSWYOYKYUTO-SFHVURJKSA-N	363.377	3.410	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H](C(=O)O)N2c3ccccc3C=C[C@@H]21	247751536	SVPDJKRQYKLPDS-QRVBRYPASA-N	359.360	3.312	30	40	FGEB	
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1	100184809	BPYLSAOUUHWEAV-RAJOGRCSSA-N	363.483	3.144	30	40	FGEB	
CCNC(=S)N/N=C(\c1ccc(OC)cc1)P(=O)(OCC)OCC	1763031	OMHFNSMGNOMNSV-SAPNQHFASA-N	373.415	3.107	30	40	FGEB	
COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccccc2)CC(=O)N1C	100553534	DIOVFQDACQWMEM-BSBNDGSWSA-N	369.446	3.285	30	40	FGEB	
COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c([N+](=O)[O-])c1	4902624	MCURLNFXTIFURY-UHFFFAOYSA-N	372.406	3.218	30	40	FGEB	
CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1	7268136	JMTYELKWXILSBI-OAHLLOKOSA-N	364.449	3.018	30	40	FGEB	
CCc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	804781	JLNMQHLZOYUOTD-MRXNPFEDSA-N	355.434	3.349	30	40	FGEB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	118915146	MLMBQGHFDXSTPD-ZVLKMEQASA-N	358.478	3.129	30	40	FGEB	
COc1cc(/C(O)=N/S(=O)(=O)/C=C/c2ccccc2)cc(OC)c1C	48529935	IDELXSLGUTXQTN-MDZDMXLPSA-N	361.419	3.318	30	40	FGEB	
C=CCN1C(=O)S[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O	4785171	LWRRLEZJBNZKRC-LLVKDONJSA-N	369.240	3.028	30	40	FGEB	
Cc1ccc(-n2c(C)nnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1	6820973	UTVCUBOBZSTJHZ-GOSISDBHSA-N	357.483	3.031	30	40	FGEB	
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	18197393	SFHISNZNWYEXLH-KZULUSFZSA-N	364.430	3.461	30	40	FGEB	
COc1ccc(CN/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC	216055756	SZQKSUNVIQGTPJ-UDWIEESQSA-N	359.382	3.134	30	40	FGEB	
O/N=C\c1ccc(OCc2cccnc2)c(I)c1	216844426	JAVHSYQNDNJVBP-PXNMLYILSA-N	354.147	3.073	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	225661211	CLMHGDADCKOMCX-AABGKKOBSA-N	353.443	3.206	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1	96119267	NVEITEYCZZQDTE-UHFFFAOYSA-N	360.417	3.047	30	40	FGEB	
COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1	6054434	HGABJFAWZVFUKL-BMGYJQCNSA-N	350.374	3.150	30	40	FGEB	
N#CCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1	23394606	LKXCRWZAXUIVPD-UHFFFAOYSA-N	372.324	3.288	30	40	FGEB	
C=CCc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1	20806397	OMCDGRUAIPHYRD-NRFANRHFSA-N	370.468	3.116	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)OC)nc2sc3c(c2c1=O)CCCC3	6111292	WWYBXZGFACJLDT-JTQLQIEISA-N	364.492	3.176	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(F)c(F)cc21	46222797	PVKMOQYJXHDFMT-UHFFFAOYSA-N	371.387	3.054	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(OC)ccc21	100875950	ZMXCHLIXPVMRBN-ZPHPHTNESA-N	357.460	3.159	30	40	FGEB	
CCCCCCCCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O	101463656	FFWANZYEJSTXBT-UHFFFAOYSA-N	360.458	3.390	30	40	FGEB	
C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccco1	4943684	NPQMFVVUZZJTJM-UHFFFAOYSA-N	369.377	3.175	30	40	FGEB	
N#CC1(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CCCC1	95946844	SIIXFZTUIQFXEZ-UHFFFAOYSA-N	365.433	3.181	30	40	FGEB	
CCCCN(CCC#N)CCOCCOCCN(CCC#N)CCCC	33366246	ZGZYQXUMIGMQEF-UHFFFAOYSA-N	366.550	3.051	30	40	FGEB	
Cc1ccnc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1C#N	612070298	BYVWZCPMOSRFAZ-UHFFFAOYSA-N	374.366	3.243	30	40	FGEB	
CC(C)(C)C#CC(=O)NC1(C2CCN(C(=O)C(C)(C)C3CC3)CC2)CC1	1775991292	KJSCCVGEYCQCOR-UHFFFAOYSA-N	358.526	3.360	30	40	FGEB	
CCc1ccc(S(=O)(=O)/N=C2/SCC(=O)N2c2ccccc2)cc1	13843533	KXBPEUULPCSXDD-ISLYRVAYSA-N	360.460	3.074	30	40	FGEB	
N#Cc1nccnc1N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1	1166580381	UXQKANJERJFVBJ-UHFFFAOYSA-N	364.327	3.295	30	40	FGEB	
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1	40087063	UHOLDLFVIYYVBA-UHFFFAOYSA-N	374.803	3.179	30	40	FGEB	
O=C(ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccccc1	1926397	HKALEOXGSKHDCC-UHFFFAOYSA-N	362.297	3.116	30	40	FGEB	
N#Cc1c(NC(=O)CSc2nncs2)sc2c1CCCCC2	3413000	VMXGXRZKBBLZBZ-UHFFFAOYSA-N	350.494	3.471	30	40	FGEB	
CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1	10339485	YLLFAILNWWSGEE-YJYMSZOUSA-N	351.454	3.392	30	40	FGEB	
O=C(O/N=C1/C[C@@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1	33927135	DJDADXMOWFEWMK-ARXZDUBCSA-N	358.297	3.026	30	40	FGEB	
Cc1nc(C)c(C#N)c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)n1	24778001	QXFSZRYGPHDEIP-GFCCVEGCSA-N	358.442	3.416	30	40	FGEB	
CN(CCC#N)C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1	3283906	WMHJDISEUZIHPB-SDNWHVSQSA-N	360.460	3.265	30	40	FGEB	
CC(=O)Nc1cccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c1C	12929350	DXGUOQSEAHTPJA-UHFFFAOYSA-N	367.453	3.252	30	40	FGEB	
COc1cccc(/N=C(\O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)c1	4046221	WZJOBLBUWPAARZ-LPHOPBHVSA-N	366.373	3.143	30	40	FGEB	biogenic
O=C(O)c1cc2ccccc2c([C@@H]2Nc3ccccc3C(=O)N2O)c1O	6235061	DWKPGTOJWJKDOZ-QGZVFWFLSA-N	350.330	3.199	30	40	FGEB	
C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12	6625464	GBWKOHFFHFEALN-YCRPNKLZSA-N	373.456	3.414	30	40	FGEB	
COc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	218127369	BKBNHTNUGHKWSB-BBWFWOEESA-N	350.823	3.103	30	40	FGEB	
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225003998	ZPFDEGSOGZVJPR-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1ccc(F)cc1	82051248	JHLRTSHNUXYPOF-NBIPDHRESA-N	373.468	3.442	30	40	FGEB	biogenic
Cc1cccc2c1nc(SCC#N)n1nc(-c3ccccc3)c(=O)nc21	95469577	NQGNEVIWODVKGC-UHFFFAOYSA-N	359.414	3.229	30	40	FGEB	
C/C=C/Cn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C	96019758	FASOAAGYLISRNT-FNORWQNLSA-N	364.515	3.452	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc5ccccc5n4)cnc3c2c1	2273262	LJBMKPRASZTLJI-FOKLQQMPSA-N	369.384	3.317	30	40	FGEB	
C=CCOc1ccccc1NC(=O)[C@]1(C)CC(=O)N=C2C=C(C)C=CN21	13996150	OQAQCMICVZSWKG-FQEVSTJZSA-N	351.406	3.053	30	40	FGEB	
Cn1cccc1/C=N/Nc1nnc(N/N=C/c2cccn2C)c2ccccc12	16382536	BRORMYSBXQJDOC-JFMUQQRKSA-N	372.436	3.199	30	40	FGEB	
CCOC(=O)C(=O)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1cccs1	2557525	KLZCEKPYHYVLFU-CPNJWEJPSA-N	364.810	3.185	30	40	FGEB	
Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)on1	10841086	SOGHDWCHZMNKFR-UHFFFAOYSA-N	370.409	3.184	30	40	FGEB	
CCN(C(=O)Cn1ccc(C(F)(F)F)n1)[C@@H](C)c1ccc(C#N)cc1	45499433	AUPYOYXUGVCRCT-LBPRGKRZSA-N	350.344	3.383	30	40	FGEB	
CC(=O)NCc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)s1	101487949	BKYSBXHYRSFMQR-ZZEZOPTASA-N	372.519	3.323	30	40	FGEB	
Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2C#N)CC1	57293355	NUAVHFGMLPNNHT-UHFFFAOYSA-N	368.868	3.281	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1	102861123	MSLPXDXYTOWURN-WOOAAIBNSA-N	365.429	3.453	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3ccsc3)C[C@H]2c2nccs2)C1=O	306132208	LBQBSXUCINBZNW-MAUKXSAKSA-N	359.520	3.209	30	40	FGEB	
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	16184328	VOIAOIUCLHQIEE-NVNXTCNLSA-N	366.446	3.086	30	40	FGEB	
CC/N=C1\S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C(=O)N1CC	408939549	SWXVCFHJSFIBAP-ZZCYQEOYSA-N	369.446	3.488	30	40	FGEB	
C/C(=N\OC(=O)c1ccccc1I)c1ccccn1	13618020	PSTSNNBDXOILEM-LICLKQGHSA-N	366.158	3.267	30	40	FGEB	
COc1ccc(C[C@@H]2S/C(=N\N=C(\C)c3ccccc3)NC2=O)cc1	6014529	KDXYFBGKYMELHR-WBRURWICSA-N	353.447	3.250	30	40	FGEB	
C=C(C)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@@H]1CCCO1	14122966	RZLJTPLNVPHYHL-AWEZNQCLSA-N	374.462	3.030	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cccc(C#N)c2)cc1	83146697	PGLNNOBBESCBQX-IRXDYDNUSA-N	356.403	3.016	30	40	FGEB	
COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(OCC(=O)O)c(Cl)c1	5670706	JNVBXTKFUJJHDE-QGMBQPNBSA-N	364.741	3.471	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@@H]1CN(c2c(C)cccc2C)C(=O)/C1=N/O	17176606	UXYTXQQYBQSZPT-PJWCADQQSA-N	365.433	3.352	30	40	FGEB	
CCCCOc1ccc(C(=O)O/N=C2\C(=O)N(C)c3ccccc32)cc1	2942878	KEYHPUMPURDEAR-UZYVYHOESA-N	352.390	3.403	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)cc1	707636	MNLHVAGAKMURRB-LJQANCHMSA-N	351.402	3.222	30	40	FGEB	
Cc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1	12484641	HICNXVMBTLKENV-UHFFFAOYSA-N	358.471	3.249	30	40	FGEB	
Cc1ccnc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)c1	58185566	RMZZRYYFBKYNHI-UHFFFAOYSA-N	356.376	3.395	30	40	FGEB	
O=c1c(Br)c(N/N=C/c2ccccc2)cnn1-c1ccccc1	4342138	FEVYKCYEGGBAMR-YBFXNURJSA-N	369.222	3.441	30	40	FGEB	
COc1ccc(Cl)cc1CN(C)C[C@H](O)COc1ccc(C#N)cc1	14200929	WYPDJCCMTZNWKH-KRWDZBQOSA-N	360.841	3.092	30	40	FGEB	
CC(C)n1ncc2cc(C(=O)OCc3cn4ccccc4c3C#N)cnc21	14854555	QWLACWXKVLKYMM-UHFFFAOYSA-N	359.389	3.494	30	40	FGEB	
C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2noc(-c3ccccc3)c2c1	18343751	JSNLSWCIHOSVDJ-CYBMUJFWSA-N	350.374	3.342	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(OCC(C)C)c(Br)c1	408600572	DNZUUEREECKERE-CAOOACKPSA-N	358.305	3.302	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21	409367984	KZCBMWMIZVROQY-FRUHSDKASA-N	371.440	3.214	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218454916	ICBYPOBNMXLKFT-CEXWTWQISA-N	359.422	3.230	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	578710739	AGBSZGFYTHTWBZ-QKLQHJQFSA-N	374.456	3.411	30	40	FGEB	
COc1ccc(CCN(C)CCC(=O)Nc2sccc2C#N)cc1OC	30539648	XHASDIIEYFIZEF-UHFFFAOYSA-N	373.478	3.140	30	40	FGEB	
N#Cc1cccc(COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1	36625889	OTGAWPLKXVYBNP-UHFFFAOYSA-N	373.412	3.279	30	40	FGEB	
CCNc1nc(NCC)nc(N/N=C(\C)c2ccc3ccccc3c2O)n1	102420004	UIGLYIXYXVEDSH-BRJLIKDPSA-N	365.441	3.430	30	40	FGEB	
C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@H]1C2	59200521	XXKNHBAFFJINCK-WALFETCESA-N	358.434	3.443	30	40	FGEB	
CC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(=O)c2ccccc2)cc1	991563	PBJVMUBLVIDIGS-IBGZPJMESA-N	374.400	3.375	30	40	FGEB	
COC(=O)[C@@H]1C(=O)/C(=C\Nc2ccc3ccccc3c2)C(=O)CC1(C)C	102400813	JNXSNLXECRWCBP-XOQYZJNISA-N	351.402	3.493	30	40	FGEB	
O=C(O/N=C(/c1ccc2c(c1)OCO2)N1CCCCC1)c1ccccc1	1252057	BUELEGHKJMKMHU-VZCXRCSSSA-N	352.390	3.420	30	40	FGEB	
CCOC(=O)c1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc1	12630869	LSDYEROUCHGHKA-NVMNQCDNSA-N	374.443	3.318	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC([C@H](O)c2ccccc2)CC1	12809062	HDNRTOPIFDBGNE-HRAATJIYSA-N	363.461	3.331	30	40	FGEB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccn1	409315212	UUBKGVGNGZBQSX-UHFFFAOYSA-N	371.238	3.389	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2ccccc2c1=O	5019401	ODPJNRGQFAPMIC-HNNXBMFYSA-N	371.506	3.466	30	40	FGEB	
N#CCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1	408748488	AXDSHMRAVPBKAE-FCIDVOKBSA-N	367.455	3.223	30	40	FGEB	
CNC(=S)N/N=C/c1c(-c2ccccc2)nc2sc(CC(C)C)nn12	41074145	KJMZRDWUDOXBCL-VXLYETTFSA-N	372.523	3.084	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@H]2C)cc1	225859111	CBVWIADFDYWOFP-MRXNPFEDSA-N	350.466	3.242	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccsc1	40110540	SSLBCMZCGIVNNA-KRWDZBQOSA-N	355.463	3.221	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225029979	IEGCFEICHOKWDV-UHFFFAOYSA-N	357.391	3.042	30	40	FGEB	
C[C@@](C#N)(NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1	55855406	UDUUNULCAXVUDE-RTWAWAEBSA-N	351.425	3.313	30	40	FGEB	
C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1	4559378	IFRYBOHFRWWRGM-INIZCTEOSA-N	368.408	3.060	30	40	FGEB	
COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1OC	46708844	KGSNOENEITYEDY-UHFFFAOYSA-N	355.799	3.051	30	40	FGEB	
C=CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(s1)CCCC2	5511209	NGRYKDMGGAJIJH-INIZCTEOSA-N	356.447	3.381	30	40	FGEB	
CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O	5900981	DWSYRRMHYXUJLU-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1	19582280	AYIWERIBWSDEPI-KRWDZBQOSA-N	370.474	3.278	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)nc1	253472468	MOXITNNYESEQGH-HNNXBMFYSA-N	357.797	3.417	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)c3c(F)cc(C#N)cc3F)CCOCC2)c1	598872444	SUBJLFWVGHBQKS-UHFFFAOYSA-N	367.355	3.144	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1	4380206	QWYXYPGPBJPHIP-XDHOZWIPSA-N	359.349	3.170	30	40	FGEB	
C#CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(CC)C1=O	6952386	WVNWMTRMYYRIRH-ZDUSSCGKSA-N	368.252	3.088	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccc1	102881547	MLBUTSMEMMTBEY-HVESIFNPSA-N	355.390	3.046	30	40	FGEB	
CCN(CC)/C(=N\OCc1ccc(Cl)cc1Cl)c1nonc1N	12411505	MSSSNGLSQBJNLB-ZHZULCJRSA-N	358.229	3.179	30	40	FGEB	
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(C)=O)ccc2C1=O	12860834	RTDZBFJSRGMNDS-UWVJOHFNSA-N	370.357	3.254	30	40	FGEB	biogenic
N#Cc1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1	7927236	HYVZRNVUMRWPDM-QGZVFWFLSA-N	355.463	3.239	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCCCC	408707449	BEZUCZKXDSYKKP-UHFFFAOYSA-N	373.497	3.408	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)cc1	6886497	HLJDFCAVXQGTFN-UHFFFAOYSA-N	360.369	3.272	30	40	FGEB	
N#Cc1cccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)c1	306129534	IGJSKFBSWMVDMF-OALUTQOASA-N	369.428	3.076	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1	32501801	DCMSMRJYYOFOJX-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
COc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC	11334560	GBWLDYPWHYVBPZ-MDZDMXLPSA-N	353.418	3.437	30	40	FGEB	
CC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(C)=O)n2c(C)nnc2S1	4518312	NNCDSCOPTWQOHU-UHFFFAOYSA-N	370.478	3.432	30	40	FGEB	
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1	59105686	ABNPLDOZRPKVID-RIYZIHGNSA-N	359.338	3.331	30	40	FGEB	
Cc1cc(OCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)ccc1C(C)C	21685607	IHVSXPSOOMNLDI-FQEVSTJZSA-N	360.454	3.095	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1	102543836	SKMCPJDDJHRULB-GHNGSUTGSA-N	351.402	3.063	30	40	FGEB	
Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4Cl)c(O)nc3c2c1	2282215	WJFRRUISPRLCMR-AWQFTUOYSA-N	352.781	3.427	30	40	FGEB	
Cc1cn(CN2CCC[C@@H](C(F)(F)F)C2)c(=O)n1-c1cccc(C#N)c1	48289296	SREXFUTWXVXKJY-OAHLLOKOSA-N	364.371	3.051	30	40	FGEB	
Cc1ccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1	21005799	YGNSSHYVMLTHPO-HOTGVXAUSA-N	371.400	3.046	30	40	FGEB	
COc1ccc(/C=C2\CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC	31895402	LMGMCXMLKLAHNB-RVDMUPIBSA-N	372.442	3.456	30	40	FGEB	
COc1ccc(C)nc1N=C(O)N1CCCN2c3ccccc3C[C@H]2C1	329840577	NFRDJIMYKKESJQ-INIZCTEOSA-N	352.438	3.081	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3nccs3)C[C@H]2c2ccccc2)C1=O	96201894	RNOXPAMGQYYQDG-FXAWDEMLSA-N	353.491	3.147	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1	242592376	OSDRMGRTSKWCQG-VAMGGRTRSA-N	371.458	3.181	30	40	FGEB	
C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccncc1	2619767	GYLRJGVYKVKJAW-UHFFFAOYSA-N	367.478	3.456	30	40	FGEB	
O=C(COc1ccc(Br)cc1/C=N\O)Nc1ccccc1F	108109311	JYUAAICWUXICSH-LSCVHKIXSA-N	367.174	3.414	30	40	FGEB	
O=C1CS/C(=N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)N1	59105561	GCEGTSVZBIYQRQ-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)c1	8247851	LECLSJPFCMIIDA-ZDUSSCGKSA-N	369.808	3.212	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1	3228323	BTTIBXSWBNOWFX-UHFFFAOYSA-N	362.429	3.196	30	40	FGEB	
N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1	12746968	DZGQXVVCXXORDC-JXOMPUQVSA-N	359.429	3.449	30	40	FGEB	
CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC(C)C)CC1	2360801	ZYGPSTNSOFQJJP-OAHLLOKOSA-N	352.438	3.425	30	40	FGEB	
Cc1ccc(N2CCN(CC(=O)Nc3sccc3C#N)C[C@@H]2C)cc1	13737023	QLVBHDKJCQENIP-HNNXBMFYSA-N	354.479	3.077	30	40	FGEB	
C=CCSc1nnc(NC(=O)COc2ccc(C)cc2OC)s1	8745083	FNZSFBABTJGHQM-UHFFFAOYSA-N	351.453	3.151	30	40	FGEB	
COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC	7266208	VZWJCPAPEWTZAK-AWEZNQCLSA-N	353.422	3.034	30	40	FGEB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccnc1	409316123	LAHQIDCJEUNHFU-UHFFFAOYSA-N	371.238	3.389	30	40	FGEB	
O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccc([N+](=O)[O-])cc1	15777572	XWQNVUZXCYEUAC-UHFFFAOYSA-N	361.155	3.126	30	40	FGEB	
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(F)c1	225111181	WORGNXCSKHMVNK-UHFFFAOYSA-N	366.370	3.124	30	40	FGEB	
CC(C)[C@H](C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1)C(=O)O	17128625	ABMZXLFWSNGJPU-LBBLGXEFSA-N	364.358	3.428	30	40	FGEB	
CCCC(=O)NC[C@@H]1CCCN(c2cccc(Br)c2C#N)C1	583413674	OZSIGTYULRZZPE-ZDUSSCGKSA-N	364.287	3.453	30	40	FGEB	
CCOC(=O)c1noc(C)c1CSc1nc(C)cc(COC)c1C#N	78546855	NDPPJCFPBOJLGE-UHFFFAOYSA-N	361.423	3.174	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1C1CC1	108876130	XBUFTGNYLLIPRO-VRKREXBASA-N	360.527	3.375	30	40	FGEB	
N#Cc1cnc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nc1N	53548230	DOMVRHHJMOGFTK-QFIPXVFZSA-N	373.290	3.137	30	40	FGEB	
O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc1	1478068	CQVXUWVBXDJAGD-GIJQJNRQSA-N	358.810	3.468	30	40	FGEB	
CCN(CC)c1nc(N)c(C#N)c([C@@H](C#N)Cc2ccc(C)cc2)c1C#N	25286846	XRELZPLQBBNCLI-MRXNPFEDSA-N	358.449	3.412	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	5163567	SJODYTOTOAOCAP-WOJGMQOQSA-N	361.423	3.339	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1	14015366	DZJMVNBALXDJEI-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
C=CCCOCC(=O)NC1(C2CCN(C(=O)CC[C@@H](C)CC)CC2)CC1	1775992929	VGJKDRRGMNBEFV-KRWDZBQOSA-N	364.530	3.293	30	40	FGEB	
N#Cc1ccc(CN2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)cc1	329141581	UJEJMHTXPJHXKI-UHFFFAOYSA-N	359.477	3.037	30	40	FGEB	
N#Cc1ccc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c(F)c1	2298200119	DHZFFFQACZHERF-MRXNPFEDSA-N	365.399	3.167	30	40	FGEB	
Cc1cccc2c1NC(=O)/C2=C1\S/C(=N\c2ccc(F)cc2)NC1=O	100792234	GTUPJBBTWAEKQD-SQFISAMPSA-N	353.378	3.348	30	40	FGEB	
C=CCn1ncc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c1C	100765346	RLRKAIZPOGNLLY-PMACEKPBSA-N	367.493	3.401	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2c(C)csc2n1	54271924	OWTFYDXQVGIBHV-UHFFFAOYSA-N	355.463	3.261	30	40	FGEB	
O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1COc2ccccc2O1	12536816	UJUJBSBMQQKIAD-NRFANRHFSA-N	356.381	3.260	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC	2055375	CGMLXTIIEVRCIM-LJQANCHMSA-N	353.418	3.392	30	40	FGEB	
CSc1nc(C)c(CC/C(O)=N/S(=O)(=O)C2CCCCC2)c(C)n1	58071602	FQXYAWYGNODYNI-UHFFFAOYSA-N	371.528	3.367	30	40	FGEB	
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1O	408962447	SEOBQLNESMBWSI-MDWZMJQESA-N	359.338	3.331	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1	2325380	YATJTBJBEBLGIW-OAHLLOKOSA-N	350.422	3.202	30	40	FGEB	
CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1C	3535467	WQSSAOGCVDIWBR-OAQYLSRUSA-N	367.449	3.317	30	40	FGEB	
COC(=O)c1ccc(/N=C2\S/C(=C/c3cccc(O)c3)C(=O)N2C)cc1	4660307	TVIWRSPODUVFFF-DOXJHMMXSA-N	368.414	3.413	30	40	FGEB	
Cc1ccc2c(COC(=O)COc3ccccc3C#N)cc(=O)oc2c1C	6996906	ITDCKDPXZJZAEQ-UHFFFAOYSA-N	363.369	3.404	30	40	FGEB	
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	145592669	HJNJOISSLFFBTP-FYJGNVAPSA-N	353.447	3.492	30	40	FGEB	
COc1cc(/C=N\N=c2\[nH]c(-c3cccc([N+](=O)[O-])c3)cs2)ccc1O	31776210	GJEVBUBCMVFTND-NVMNQCDNSA-N	370.390	3.300	30	40	FGEB	
C=CCn1c(Cc2csc(NC(=O)c3ccc(C)nc3)n2)n[nH]c1=S	24831443	YBWNMUDDRNQESM-UHFFFAOYSA-N	372.479	3.130	30	40	FGEB	
CCc1cc2oc(=O)cc(Cn3nc(C)c(C)c(C#N)c3=O)c2cc1Cl	57946031	BQUYPOQXZICEAB-UHFFFAOYSA-N	369.808	3.102	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1cc(=O)c2cc(C)ccc2o1	27392451	HCEODYWZMBTIDN-UHFFFAOYSA-N	362.385	3.270	30	40	FGEB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1	3259173	CWKUTZMNCCUMKG-UHFFFAOYSA-N	351.811	3.420	30	40	FGEB	
COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C1=O	8581030	KJVJXJRYZBIHDM-GZTJUZNOSA-N	350.418	3.363	30	40	FGEB	
C/N=c1\scc(-c2ccc(OC)cc2OC)n1/N=C(\C)c1ccccn1	6841474	NZCIAVDXAZAHPG-JVXANEAQSA-N	368.462	3.432	30	40	FGEB	
Cc1nc(SCC(=O)NC(=O)Nc2ccccc2F)c(C#N)c(C)c1C	7058867	WNGKMSCXZJEFES-UHFFFAOYSA-N	372.425	3.458	30	40	FGEB	
CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cc(C)oc2C)cc1	9514119	LXGSQWBONVWAIT-UHFFFAOYSA-N	370.405	3.399	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)NCc1ccnc(-c2ccsc2)c1	225758304	LNFVHGLOLRCUNG-UHFFFAOYSA-N	355.444	3.160	30	40	FGEB	
CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21	250354121	XPEIGOKUIMTXJQ-PLQHKKHDSA-N	359.429	3.048	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCn4ccnc4)[C@H]3C[C@@H]12	12659870	GVQXMWUKRNTWTN-WVXKDWSHSA-N	357.498	3.177	30	40	FGEB	biogenic
C=CCn1c(SCC(=O)NCCCOCC)nnc1-c1cccc(C)c1	9112393	VLRXUXCNTKLPPC-UHFFFAOYSA-N	374.510	3.074	30	40	FGEB	
COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1	15106072	TWCIUIDYHNZCAW-FNORWQNLSA-N	372.373	3.346	30	40	FGEB	
Cc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)cc1	13573383	RKVKOSHOFXMCJL-MRXNPFEDSA-N	364.430	3.119	30	40	FGEB	
C=CCN(CC=C)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	4890137	ZMOSAUYLPNRRHV-UHFFFAOYSA-N	352.434	3.404	30	40	FGEB	
C/C(=N/O)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	102944603	AYYLWSKEMAFQBJ-UYRXBGFRSA-N	355.423	3.032	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1	8481091	ZZSKBGGEPLFPBR-UHFFFAOYSA-N	368.433	3.270	30	40	FGEB	
N#Cc1ccsc1NC(=O)COc1cc2ccccc2cc1C(=O)O	13049904	NJDXSKARFUGMGF-UHFFFAOYSA-N	352.371	3.489	30	40	FGEB	
CCn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1cccs1	4516608	VDYDCJJXYXXNHG-UHFFFAOYSA-N	361.496	3.071	30	40	FGEB	
O=C(O)COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1	18912430	XSFCWVFENDPUFI-LFYBBSHMSA-N	365.385	3.173	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3Cl)C(=O)NC2=S)cc1	408758647	OLVMWOIENRWQCQ-RNDVCUHJSA-N	371.849	3.415	30	40	FGEB	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccnc1C#N	72082103	VACRWDNGJUFUIM-UHFFFAOYSA-N	369.734	3.095	30	40	FGEB	
C#CCOc1c(Br)cc(C(=S)N2CCCC2)cc1OC	33627959	WWFWRZSKONALLF-UHFFFAOYSA-N	354.269	3.241	30	40	FGEB	
C/C(=N/N)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@@H]3CC[C@@]21C	253505295	GUIUGRNHIOQLSU-ANFOUYJDSA-N	356.514	3.106	30	40	FGEB	
C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CC1)C2	585106676	FCLCJTLQZQZTDQ-OAQYLSRUSA-N	366.440	3.198	30	40	FGEB	
CC#CCN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21	1889091588	DXYPHTHOPUINGL-UHFFFAOYSA-N	354.431	3.462	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2ncc(C#N)c2N1	101483626	RQMVJGOXSDRBHO-LJQANCHMSA-N	371.400	3.388	30	40	FGEB	
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2cccs2)cc1	808057	WFDVLWCYVHMLQD-MRXNPFEDSA-N	371.414	3.414	30	40	FGEB	
O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccccc1[N+](=O)[O-]	15773589	HXQXKUMDQONCQC-UHFFFAOYSA-N	361.155	3.126	30	40	FGEB	
Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)c(C#N)c1C	58171549	NVBSOKQLAPXRKQ-INIZCTEOSA-N	373.254	3.306	30	40	FGEB	
Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C#N)c(C#N)[nH]3)s2)c(C)c1	58280272	CBAMPQJNUORLGL-UHFFFAOYSA-N	362.418	3.454	30	40	FGEB	
C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3	2216798	MZFQTATZHUDTJW-UHFFFAOYSA-N	356.480	3.437	30	40	FGEB	
CCOC(=O)/C(=N/Nc1ccc(OC)cc1)N1CCCc2ccccc21	2207014	WAVQHLSVPONWSC-QOCHGBHMSA-N	353.422	3.437	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1nnc2n1CCCCC2	48375244	WKWKCXILDLWLFY-INIZCTEOSA-N	352.398	3.126	30	40	FGEB	
COc1cccc(/N=C(\O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)c1	4046222	WZJOBLBUWPAARZ-QFBILLFUSA-N	366.373	3.143	30	40	FGEB	biogenic
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)cc2c1OCOC2	16669912	VIUULNQCSUKYBF-LBPRGKRZSA-N	357.337	3.075	30	40	FGEB	
N#Cc1c(F)cc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1F	549721041	SDENJEGMNOVQPF-AWEZNQCLSA-N	369.371	3.044	30	40	FGEB	
N#Cc1c2c([nH]c(=NCc3ccc4nc(O)[nH]c4c3)c1C#N)CCCCCC2	619489687	CYGHJEKMNJVXQP-UHFFFAOYSA-N	372.432	3.100	30	40	FGEB	
N#Cc1cncc(CSc2nnc([C@H]3COc4ccccc4O3)o2)c1	1651701668	CVWKZPVVOCXEJO-OAHLLOKOSA-N	352.375	3.141	30	40	FGEB	
C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1Cc1ccncc1F	2298047624	VTNIPBDPGGTTQW-HNNXBMFYSA-N	365.456	3.077	30	40	FGEB	
C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	101228446	XWISDSUUNWEYNQ-GROYHEBESA-N	364.357	3.203	30	40	FGEB	
CCOc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1OC	46708972	FFCOEKYKUFWJRX-UHFFFAOYSA-N	369.826	3.441	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195849	UHTNAVRQXFIYLL-SFHVURJKSA-N	373.412	3.436	30	40	FGEB	
COc1ccc(C[C@H]2S/C(=N\N=C(\C)c3ccccc3)NC2=O)cc1	6014534	KDXYFBGKYMELHR-OJSPLJLUSA-N	353.447	3.250	30	40	FGEB	
C#CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	4364244	FTCAEFBBWVFOAL-GZTJUZNOSA-N	352.777	3.449	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)cc1	14226727	VCVISHNUNCYBEJ-UHFFFAOYSA-N	371.843	3.238	30	40	FGEB	
CSc1nn(-c2cc(Oc3ccccc3F)nc(C)n2)c(N)c1C#N	4667866	BWHVOCRRHPZBJG-UHFFFAOYSA-N	356.386	3.078	30	40	FGEB	
COc1ccc(/C(N)=N/OC(=O)COc2ccc(Cl)cc2Cl)cc1	4725317	PAQJTKALJGRFBM-UHFFFAOYSA-N	369.204	3.245	30	40	FGEB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)cc2)cc1	6819784	SIRWXHIYXJBENQ-CRAIPNDOSA-N	363.413	3.405	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(F)cc3F)C(=O)NC2=S)cc1	408756532	SPWQAPMJUWODJJ-OGTYSZTOSA-N	373.384	3.040	30	40	FGEB	
CCCc1nc(S/C(=C\c2cn(CC#N)c3ccccc23)C(=O)O)n[nH]1	213386190	XSBMJLSLDRUVTH-GDNBJRDFSA-N	367.434	3.453	30	40	FGEB	
C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC	223544797	NHHWLTSVKQIEFS-NRFANRHFSA-N	366.461	3.477	30	40	FGEB	
C=CCOc1ccccc1CN1CCC2(CC1)NC(=O)c1ccccc1N2	13566602	PLKDTSYWGMZPIO-UHFFFAOYSA-N	363.461	3.399	30	40	FGEB	
CSc1nc(C)cc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)n1	1889114151	HRULKGDVWXPQCG-OAHLLOKOSA-N	355.467	3.069	30	40	FGEB	
Cc1sc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(C#N)c1C	4570332	DDBXYRBSZQHJLS-UHFFFAOYSA-N	366.439	3.178	30	40	FGEB	
O=C1Nc2cc(Br)ccc2/C1=C1\Nc2ccccc2\C1=N/O	100469404	DDLZLOKCJHBUHD-IOJOKMQUSA-N	356.179	3.416	30	40	FGEB	
CC1=CC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	4837629	QLAPPSIXOBEVQR-NPTFKWCASA-N	366.373	3.465	30	40	FGEB	
CCCCC(C#CCN(CCO)CCO)(c1ccccc1)c1ccccc1	6427087	AEVJTCIYLRVSRO-UHFFFAOYSA-N	365.517	3.453	30	40	FGEB	
CCOC(=O)c1nnn(/N=C/c2ccccc2C)c1OCc1ccccc1	1417744	RGKAUZLAVHJERT-FYJGNVAPSA-N	364.405	3.224	30	40	FGEB	
CCn1c(C)cc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)c1C	7873600	DEDYYTPWYGHDPD-MRXNPFEDSA-N	359.470	3.355	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(F)c2C#N)cc1	7907277	PZTSGFJVMALURV-UHFFFAOYSA-N	361.442	3.340	30	40	FGEB	
CC(C)Oc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409404502	DJQPDMJYADYGKU-MWDDYTRKSA-N	358.825	3.268	30	40	FGEB	
CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1C	5132202	SYFADYNJRHXACA-FNORWQNLSA-N	355.390	3.476	30	40	FGEB	
CCOc1ccc2c(c1)O/C(=C\c1cccc(OS(C)(=O)=O)c1)C2=O	4478779	BEYDVQZWZIYBHI-YVLHZVERSA-N	360.387	3.040	30	40	FGEB	
CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1	14188030	RBFDNAJVMIHLRK-GOSISDBHSA-N	356.447	3.483	30	40	FGEB	
C=CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1	6767722	BMAWXCAAPNCPIF-UHFFFAOYSA-N	367.478	3.109	30	40	FGEB	
O=C1Nc2ccccc2/C1=N/NC(=S)Nc1cccc(C(F)(F)F)c1	5706307	BUMKBKBKYFGVRW-UHFFFAOYSA-N	364.352	3.348	30	40	FGEB	
CCn1ncc([C@H](C#N)c2ccc3ccccc3n2)c(Br)c1=O	26511259	RDBXOTHWHBLGLO-LBPRGKRZSA-N	369.222	3.229	30	40	FGEB	
COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)NC1=O)OCO2	409063867	ALTGVBNHWDTNSU-LZYBPNLTSA-N	354.387	3.316	30	40	FGEB	
O=C(CSCc1ccccc1)NCC#CCN1CCc2ccccc2C1	75165007	JHXQUPPSPKPQLH-UHFFFAOYSA-N	364.514	3.098	30	40	FGEB	
C=CCN(c1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1	224367657	YTADQNLZRYTDCP-UHFFFAOYSA-N	358.463	3.206	30	40	FGEB	
Cc1cc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(C#N)cn1	579466396	YFXVLFICWBSFRE-DYESRHJHSA-N	372.432	3.265	30	40	FGEB	
CC(=O)N1C(=O)/C(=N\Nc2ccccc2)c2cc(Br)ccc21	6159137	CUNCNDLPBKDGFK-CYVLTUHYSA-N	358.195	3.158	30	40	FGEB	
C=CCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc3c(cc21)OCCO3	1889059852	OCCAVVOHLKFQQC-UHFFFAOYSA-N	361.397	3.498	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C)cc1	2487283	UGGHADDEDAMHSL-XJKSGUPXSA-N	356.447	3.373	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc2nc(C)c(C)nc2c1	21597983	SDFKFGBVOALHAI-UHFFFAOYSA-N	360.417	3.415	30	40	FGEB	
C=CCn1cnnc1SCc1cccc(C(=O)NCc2ccco2)c1	54915103	OUVHAGFHRQNDJY-UHFFFAOYSA-N	354.435	3.279	30	40	FGEB	
C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1	12556150	MDLPCFRYBLHVDL-IERDGZPVSA-N	362.429	3.444	30	40	FGEB	
O=C(C[n+]1ccc(-c2nnc3n2CCC3)cc1)c1ccc(Cl)c(Cl)c1	1822100	ORDSMXSNUIWIGV-UHFFFAOYSA-N	374.251	3.369	30	40	FGEB	
N#Cc1ccc(OCC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1	58193295	SWTMCHZNRCJUAC-KRWDZBQOSA-N	369.490	3.027	30	40	FGEB	
CC/N=C1/S/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)N1CC	27530319	UROXZAWQESKTCA-HXGVTVJWSA-N	350.440	3.025	30	40	FGEB	
COc1cc(Cl)c(NS(=O)(=O)c2cccc(C#N)c2)cc1OC	12970286	PXCFGLSCGZRTAY-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
N#Cc1ccsc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	14016960	MIXQTZFNFHPMHX-UHFFFAOYSA-N	372.427	3.439	30	40	FGEB	
N#Cc1ccc(NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1	65592925	LPSFTGWQXSGCDI-GOSISDBHSA-N	363.417	3.105	30	40	FGEB	
C=CCn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCCC3	4576110	ARDYBHRUGSOJNM-UHFFFAOYSA-N	352.459	3.338	30	40	FGEB	
COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)c(OC)c1	7719656	LSCQLUIWSATKPI-LJQANCHMSA-N	365.433	3.351	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2cccc(C(F)(F)F)c2)C1=O	9013001	MNATUAIQXJFAIZ-OUKQBFOZSA-N	367.327	3.046	30	40	FGEB	
C=C(Br)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	97001084	VRZKOVOXRUSWKJ-UHFFFAOYSA-N	371.234	3.391	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1	222477174	HIIDVNLHQFUNNT-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(O)c(O)cc23)n1	11865324	NLQYKBAOOVZMDR-UHFFFAOYSA-N	354.387	3.380	30	40	FGEB	biogenic
Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)cc1	12418260	MSJZQEKDZMJDQD-UHFFFAOYSA-N	362.389	3.077	30	40	FGEB	
COc1c2c(cc3c1[C@H](C#CCOc1ccc(F)cc1)N(C)CC3)OCO2	20112893	LSOSEYNMNBUNJZ-KRWDZBQOSA-N	369.392	3.174	30	40	FGEB	biogenic
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cccc3ccccc23)cc1	1871129	DFHXBZFYJLGTFU-LDADJPATSA-N	355.375	3.060	30	40	FGEB	
CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O	101662280	KUUAFCYJGIZERO-HXUWFJFHSA-N	370.453	3.168	30	40	FGEB	
CCc1ccc(NC(=O)CO/N=C(\N)Cc2nc3ccccc3s2)cc1	32911833	LRWUHYREOOERTF-UHFFFAOYSA-N	368.462	3.329	30	40	FGEB	
C[C@H](Oc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1)C(=O)O	59679785	MMNFBMQXNOQXHM-IEMQHYRPSA-N	368.414	3.430	30	40	FGEB	
C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1	58177835	GSHZMCOBWPTIMN-GFCCVEGCSA-N	366.352	3.004	30	40	FGEB	
CN(Cc1ccccc1)S(=O)(=O)/N=C(\O)c1ccc(Cl)cc1F	48677209	YZUGNVBUAGIUFA-UHFFFAOYSA-N	356.806	3.161	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(O)n[nH]c1N2	18195636	VHOVOLASDZEAAY-GFCCVEGCSA-N	360.211	3.442	30	40	FGEB	
CN(CCC#N)C(=O)c1ccc2c(c1)C1(CCO2)CCN(CC2CC2)CC1	306130386	JESFCSNGXFOACB-UHFFFAOYSA-N	367.493	3.198	30	40	FGEB	
CC1=CC(=O)[C@]2(C)[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@H]2S1(=O)=O	4690293	HIZIVFAFGQVLQJ-SWHZVCJCSA-N	362.491	3.378	30	40	FGEB	
Cn1nc2c(c1CNC(=O)N[C@H]1CCCc3cc(C#N)ccc31)CCCC2	563539344	WFVMOPHQMSEFBU-SFHVURJKSA-N	363.465	3.047	30	40	FGEB	
Cc1ccnc(-c2n[nH]c([C@H](C)/N=C(/O)C[C@@H]3CCCCC(O)=N3)n2)c1	328862576	ZCIPBUDHDKPWQG-STQMWFEESA-N	356.430	3.482	30	40	FGEB	
Cc1cccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1	19961383	YLFSYCOSNWCRHC-HZPDHXFCSA-N	371.400	3.046	30	40	FGEB	
N#Cc1ncccc1N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2	1888842883	WHVRSKHLOCITSV-STQMWFEESA-N	358.243	3.285	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1	1889098089	MDUSCWGTCDNICW-UHFFFAOYSA-N	362.424	3.044	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C)cc1	13570507	UBSSDBSHIZQCEX-KRWDZBQOSA-N	355.390	3.203	30	40	FGEB	
C=CCn1cnnc1SCCC(=O)Nc1ccc(Br)cc1	40127715	CWBRYPCGFUKHOK-UHFFFAOYSA-N	367.272	3.348	30	40	FGEB	
N#CCC[C@@H](C#N)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O	28918330	XQSRAGRCGQNBHH-FVWXCPNNSA-N	350.422	3.078	30	40	FGEB	
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1	4602331	HQVRDRZNGVNMCX-UHFFFAOYSA-N	354.366	3.478	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@@H]2c1ccc(Cl)cc1	10339088	LZGZJPZUYVGDDS-CYBMUJFWSA-N	369.856	3.495	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc(OC)c(OC)c2)c(C#N)c1C	995876	VAJWDYMFBZMALL-UHFFFAOYSA-N	374.418	3.374	30	40	FGEB	
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O	27818678	MEWUJDWKMUGQHF-UHFFFAOYSA-N	370.459	3.080	30	40	FGEB	
C(=C/c1nc2ccccc2n1C[C@@H]1CO1)\c1nc2ccccc2n1C[C@H]1CO1	17723789	HCYNDNKYCCHALF-WTBPUQPLSA-N	372.428	3.354	30	40	FGEB	
Cc1cc(C)nc(N/C(=N/C(=O)C(F)(F)F)N2CCc3ccccc32)n1	5148865	VBCPNNVKNJEWON-UHFFFAOYSA-N	363.343	3.013	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nnc(-c2cccc(C)c2)n1C	14197458	STFTZNDQTZPTBO-UHFFFAOYSA-N	356.495	3.191	30	40	FGEB	
COc1ccc(CN2C(=O)C[C@@H](C(=O)O)S/C2=N\c2ccccc2)cc1	4524923	IEZLYCNEFIVGDT-JVMRMLDLSA-N	370.430	3.302	30	40	FGEB	
CN(C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1)C1(C#N)CCC1	66321891	FVGXKZLYUBIPIO-AWEZNQCLSA-N	354.479	3.417	30	40	FGEB	
N#Cc1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1	67060335	IBNYYJPXHFJNAA-SFHVURJKSA-N	357.360	3.120	30	40	FGEB	
CN(C(=O)CSc1nc2ncc(Cl)cc2[nH]1)C1(C#N)CCCCC1	9318518	XUTMHHDAJZONNG-UHFFFAOYSA-N	363.874	3.388	30	40	FGEB	
CCc1ccc(-c2cs/c(=N\S(=O)(=O)c3cccc(C#N)c3)[nH]2)cc1	28047668	WNVSWAFFPISKIP-UHFFFAOYSA-N	369.471	3.467	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1	252516543	TZOXLYWSBQZBJQ-SQNIBIBYSA-N	360.866	3.063	30	40	FGEB	
COc1ccc2oc(N3CCN(c4ccc(C#N)cc4F)CC3)nc2c1	591904637	DRBIJIANVBPPKJ-UHFFFAOYSA-N	352.369	3.174	30	40	FGEB	
C[C@H](OCc1ccccc1)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	1776000332	UBQBCTQIOHFQJD-INIZCTEOSA-N	371.286	3.382	30	40	FGEB	
CC(=O)CC(=O)N/C(=N/c1ccc(C)c(Cl)c1)Nc1nc(C)cc(C)n1	2295241	GFSGREBIXIJDTP-UHFFFAOYSA-N	373.844	3.250	30	40	FGEB	
O=C(O)C12CC3C[C@@H](C1)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C3)C2	4529830	JRFRBFKDALNJPN-HOEYALEYSA-N	374.353	3.182	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2cccc(C)c2)c(OC)c1	7602033	DAODCFXVAVABRA-UHFFFAOYSA-N	365.437	3.367	30	40	FGEB	
O=C(O/N=C1\C[C@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1	1390618	DJDADXMOWFEWMK-FICACFMZSA-N	358.297	3.026	30	40	FGEB	
COc1cc(/C=N/c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC	1504750	JSQKGZJZFKZUFW-CIAFOILYSA-N	354.406	3.372	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(O)c1)c1ccco1	85409852	BEMXFLZVLOJWJC-CQSZACIVSA-N	368.370	3.225	30	40	FGEB	
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224890346	UCRBYSXDRUNKSP-UHFFFAOYSA-N	360.435	3.035	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	242495606	GLBVMFYOFSNHPH-KZNAEPCWSA-N	359.834	3.297	30	40	FGEB	
COC(=O)c1cc(Br)c2nc(-c3ccc(C#N)cc3)cn2c1	675083733	LPVBFIKULUVOLU-UHFFFAOYSA-N	356.179	3.422	30	40	FGEB	
O=C(CN1C(=O)/C(=N/Nc2ccccc2)c2ccccc21)Nc1ccccc1	15774663	ALLOUVFLJKQJRI-NJNXFGOHSA-N	370.412	3.488	30	40	FGEB	
O=C1/C(=C\c2ccccc2O)SC(=S)N1/N=C/c1ccccc1O	2798708	NLNCJEQLEVFVPZ-HJSNDYAYSA-N	356.428	3.333	30	40	FGEB	
Cc1ccc(/C(=N\Cc2ccc([N+](=O)[O-])cc2)NC(=S)N(C)C)cc1	11990782	MGUWSFOTTSETHS-UHFFFAOYSA-N	356.451	3.286	30	40	FGEB	
Cc1nnc(SCC(=O)Nc2sccc2C#N)n1Cc1ccccc1	3411329	JYJWUVSWPHOSKA-UHFFFAOYSA-N	369.475	3.299	30	40	FGEB	
N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	409173618	MOZLGGNBASMSMH-NTUHNPAUSA-N	355.331	3.296	30	40	FGEB	
N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)o1	409335090	XMPJTWHLXBQBTO-AUWJEWJLSA-N	370.411	3.104	30	40	FGEB	
COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1O[C@@H](C)C(=O)O	409221894	VQYKNJXUAZZMRG-DQAKUKQTSA-N	356.378	3.256	30	40	FGEB	
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225655715	IGBIWGLJVMEBNC-KSZLIROESA-N	361.850	3.090	30	40	FGEB	
COc1ccc(C2(C(=O)Nc3ccc(OC)c(C#N)c3)CCOCC2)cc1	225781201	VNZDVQMVIDKVQN-UHFFFAOYSA-N	366.417	3.262	30	40	FGEB	
C=CCOC[C@@H]1C[C@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1	96250465	KBKQAEYDAQDQLY-CWFSZBLJSA-N	352.434	3.057	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)COc1ccc(C(C)C)cc1	90610375	QYRNAOXDDJOART-UHFFFAOYSA-N	367.445	3.396	30	40	FGEB	
N#CC1(Cc2nc(-c3cccc(I)c3)no2)CC1	590265855	BGKAGTSJMICZPT-UHFFFAOYSA-N	351.147	3.187	30	40	FGEB	
CC(=O)/C=C1\NC(=O)c2ccccc2N1C1=CCN(Cc2ccccc2)CC1	12117989	XTGIQONULLLRPL-PXLXIMEGSA-N	373.456	3.457	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@]1(C)O	958317926	BIGBTKXKWUHWLH-FWJNGRQBSA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
N#Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCC2	3668506	WZRGZHQQQRGWSC-UHFFFAOYSA-N	358.335	3.177	30	40	FGEB	
NC(=O)COc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O	2401612	SRQLYAHKSLINLQ-CHHVJCJISA-N	364.184	3.474	30	40	FGEB	
CCOC(=Nc1sc2c(c1-c1nnn[nH]1)C[C@](C)(CC)OC2)OCC	12389280	DHOSOELSSFFBEA-INIZCTEOSA-N	365.459	3.230	30	40	FGEB	
COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2CCC#N	12396333	PUAMGNSWLDJBND-UHFFFAOYSA-N	350.378	3.116	30	40	FGEB	
CN(C)c1ccc(/C=N/N=c2/scc(-c3ccc(O)cc3)n2C)cc1	1415397	NYFRFDGFBKGWDT-IHBSRWQLSA-N	352.463	3.460	30	40	FGEB	
CC(C)(C)[C@@H]1CCc2sc(-c3nnc(Cn4cnc(C#N)n4)o3)cc2C1	12890155	UHEHSWUWOJKDEX-GFCCVEGCSA-N	368.466	3.461	30	40	FGEB	
CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2	6002225	XHEPFUAZVJARFX-AWEZNQCLSA-N	369.446	3.152	30	40	FGEB	
COc1ccc(-n2nnnc2SCc2cn3ccccc3c2C#N)cc1	14182824	MGEONYZOWBTFII-UHFFFAOYSA-N	362.418	3.088	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	5721393	MEBUZILXXZMCFY-RTBURBONSA-N	373.372	3.381	30	40	FGEB	
COc1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)c(OC)c1	9287739	BCAQZQZHITXMRV-UHFFFAOYSA-N	364.401	3.469	30	40	FGEB	
COc1ccc(S(=O)(=O)Nc2c(C#N)oc3ccccc23)c(OC)c1	28249210	FCQKGSQVVYUXKW-UHFFFAOYSA-N	358.375	3.122	30	40	FGEB	
C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNC(=O)C(CC)(CC)CC	1775992537	RFEIUTJCLPTAJU-SFHVURJKSA-N	364.530	3.315	30	40	FGEB	
N#Cc1ccc(CNC(=O)c2ccn(-c3ccccc3Cl)n2)c(F)c1	105586163	UBMFPXNMTCPRNQ-UHFFFAOYSA-N	354.772	3.466	30	40	FGEB	
C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	100773132	BTWOHIIKTHRZBZ-VGSWGCGISA-N	370.468	3.493	30	40	FGEB	
C#CCN(Cn1nc(-c2ccc(F)cc2)oc1=O)[C@H]1CCc2ccccc21	32934456	XXHYFFWEUCWXBK-IBGZPJMESA-N	363.392	3.223	30	40	FGEB	
CO/C(=N\C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC	102947352	UHNRHGZAKPZESV-KEGYOGFESA-N	362.476	3.496	30	40	FGEB	
COc1c2c(c(C(=O)/C=C/c3ccccc3)c3c1OCO3)CCN(C)C2	20112262	ARKQVHUCUFRJQP-CMDGGOBGSA-N	351.402	3.308	30	40	FGEB	biogenic
C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(C#N)cc1	3332167	DCLYIVVYGMLPQN-NSHDSACASA-N	372.222	3.078	30	40	FGEB	
C=CCNC(=S)N/N=C/c1cccc(OCCOc2ccc(C)cc2)c1	13939988	CDVZPHHBAKHRFF-PXLXIMEGSA-N	369.490	3.437	30	40	FGEB	
CCOc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1	14157682	YCDSZYPACOZOQV-HXUWFJFHSA-N	367.424	3.247	30	40	FGEB	
N#CCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	18895621	UPHQPVKLSHPMSQ-UHFFFAOYSA-N	373.253	3.214	30	40	FGEB	
C=C(C)COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1	219787579	SOXKYYPXTFQAMF-UHFFFAOYSA-N	366.461	3.408	30	40	FGEB	
CC(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2cccc(C#N)c2)c1	48561270	YGWLZHCEHHBFMU-CMDGGOBGSA-N	354.387	3.119	30	40	FGEB	
O=C(NCc1ccco1)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1	12132123	LXLHOKCCYHGKPK-UHFFFAOYSA-N	368.396	3.190	30	40	FGEB	
Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1	16311423	WRYJUOCWNMYJOM-HNNXBMFYSA-N	371.322	3.480	30	40	FGEB	
CCOc1cc(C(=O)N(CCC#N)CCC#N)cc(OCC)c1OCC	6439499	OZKBEZCFLLKMJL-UHFFFAOYSA-N	359.426	3.152	30	40	FGEB	
CCN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(C#N)cc2)CC1	9368024	VQKLKYFCAOGANW-VAWYXSNFSA-N	360.461	3.352	30	40	FGEB	
COc1ccc2c(c1)CC/C(=C1\Nc3cccc([N+](=O)[O-])c3NC1=O)C2=O	104238288	MPYLKSRGURPQFD-DTQAZKPQSA-N	365.345	3.051	30	40	FGEB	
C=CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OC	20196409	BVKKZNVAWBZIKA-HYARGMPZSA-N	356.422	3.401	30	40	FGEB	
CCOCCOc1c(Cl)cccc1NCC(=O)NC1(C#N)CCCC1	58245753	CACOUAZHORKYRC-UHFFFAOYSA-N	365.861	3.120	30	40	FGEB	
Fc1ccc([C@H](C/N=C(/S)NC2CCCCC2)N2CCOCC2)cc1	13688135	XQLMGACVXFXMOY-SFHVURJKSA-N	365.518	3.407	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C#CCOc1ccccc1)[N+](C)(C)CC3)OCO2	8879459	YKUYFIJUZLOUPA-GOSISDBHSA-N	366.437	3.180	30	40	FGEB	biogenic
CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(OC)c2)cc1	7713814	QVXJBZFUVZFWIF-KPKJPENVSA-N	359.447	3.280	30	40	FGEB	
C#CCN1CCC(C(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)CC1	72270331	WSFSFPGMSKYPCT-KRWDZBQOSA-N	368.506	3.364	30	40	FGEB	
C=CCNC(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1	408998899	JIAZMGNRFSJJBT-UHFFFAOYSA-N	354.435	3.273	30	40	FGEB	
COc1ccc(/C=C/c2nc(-c3ccccc3O)nn2CC#N)cc1OC	30781731	URRROWHHGKQDEM-CSKARUKUSA-N	362.389	3.362	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225082949	HWTWSGRMFKBWCF-UHFFFAOYSA-N	371.418	3.351	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(F)c1	225110432	YEYHYUIYEUOEML-UHFFFAOYSA-N	357.353	3.494	30	40	FGEB	
N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)n1	96073871	JTOFNCOKBBJCSH-PZJWPPBQSA-N	366.440	3.328	30	40	FGEB	
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	19460737	BTWOHIIKTHRZBZ-VGOFRKELSA-N	370.468	3.493	30	40	FGEB	
Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ncn([C@H]2CCCCO2)n1	203572505	RZWFLHBQJYPCPX-QGZVFWFLSA-N	369.274	3.252	30	40	FGEB	
C=CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1	1826950	VZFCTIGOORMOIB-SDNWHVSQSA-N	363.460	3.317	30	40	FGEB	
C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21	32073011	HKFKITBBWOHULM-NRFANRHFSA-N	362.433	3.204	30	40	FGEB	
Cc1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1Br	6627554	ARGVLPIOLYQZHP-QGMBQPNBSA-N	365.300	3.332	30	40	FGEB	
Cc1sc(NC(=O)c2nn(C)c(C)c2Br)c(C#N)c1C	2781400	IGALWGFUVZEIIP-UHFFFAOYSA-N	353.245	3.293	30	40	FGEB	
C#CCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1	12568476	WUUYRYJUGCTCNL-UHFFFAOYSA-N	370.334	3.316	30	40	FGEB	
CSc1nncn1/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408817100	VCNJJOUGXNXNMJ-CNHKJKLMSA-N	362.798	3.494	30	40	FGEB	
N#Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1Cl	10514956	NGJCAIPTLAIBAH-UHFFFAOYSA-N	364.810	3.174	30	40	FGEB	
N#Cc1c(OCCN2C(=O)c3ccccc3C2=O)cccc1-n1cccc1	4054857	PVTKKOWJHAFRFZ-UHFFFAOYSA-N	357.369	3.024	30	40	FGEB	
COc1ccc(Nc2oc(/C=C3/SC(=S)N(C)C3=O)nc2C#N)cc1	5215952	JPJIQXGUXJTKGK-KPKJPENVSA-N	372.431	3.129	30	40	FGEB	
CC/N=C1\S/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)C(=O)N1CC	4704698	PJGXZYYGGPIJRB-UXCAYTPMSA-N	368.842	3.116	30	40	FGEB	
COC(=O)c1cccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c1C	409014396	PKRCMTWWTALRBA-SRRANQMSSA-N	371.389	3.393	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(N(C)C)o1	408797502	SDEOCWKCNCSGTR-QGZVFWFLSA-N	364.401	3.087	30	40	FGEB	
O=C1C=C(NCCSc2nc3ccccc3o2)C(=O)c2ccccc21	255188442	JWCOXWMYAXIGPV-UHFFFAOYSA-N	350.399	3.473	30	40	FGEB	
COc1cc(/C=N/NC2=NC(=O)CS2)ccc1OCc1cccc(C)c1	59194271	SNCCZRAIFZZXKG-KEBDBYFISA-N	369.446	3.136	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccs2)no1	102883497	NHOOPLAMOZTPIU-SXWSKBOKSA-N	356.359	3.264	30	40	FGEB	
CCOC(=O)C1=C(CC)Nc2ccccc2N/C1=N\C(=O)c1cc(C)on1	102918553	FAYFCLBRRDNQQC-UHFFFAOYSA-N	368.393	3.287	30	40	FGEB	
C=CCN(C[C@@H](O)c1ccc(O)c(C(N)=O)c1)[C@@H](C)CCc1ccccc1	22589405	RGMDPZQWHAFCIO-HRAATJIYSA-N	368.477	3.034	30	40	FGEB	
N#Cc1ccc(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c(F)c1	10868365	RMAJQQNYQAPAKA-UHFFFAOYSA-N	369.348	3.175	30	40	FGEB	
N#Cc1c(F)cccc1N1CCN(Cc2noc(-c3cccs3)n2)CC1	58136992	NJMUGJJCUIMGHT-UHFFFAOYSA-N	369.425	3.131	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)NCCNC(=O)OC(C)(C)C	58175589	QKHWEIICLGMPSL-UHFFFAOYSA-N	351.422	3.048	30	40	FGEB	
O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)c1ccc[nH]1	3311353	OQIMPBYKAPTGNW-VQHVLOKHSA-N	366.295	3.111	30	40	FGEB	
CC(C)c1ccccc1OCC(=O)OCC(=O)Nc1ccccc1C#N	6164385	PVMBNZBHUCHLTF-UHFFFAOYSA-N	352.390	3.242	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218441394	GTCSQDMZECGCNI-CVEARBPZSA-N	360.797	3.452	30	40	FGEB	
COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1Br	5126943	AMHODOHQVWEPPV-UHFFFAOYSA-N	367.224	3.130	30	40	FGEB	
Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)c1	12418359	QLSJVGLBFYADFE-UHFFFAOYSA-N	362.389	3.077	30	40	FGEB	
N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2ccco2)CC1	12418566	YRCFHYWTSXUWAR-CMDGGOBGSA-N	374.400	3.272	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	19460743	LAXFVIWMSHUGQK-AOMKIAJQSA-N	370.468	3.493	30	40	FGEB	
COc1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	5513760	ALKYPDSOYFDORR-HMAPJEAMSA-N	362.311	3.428	30	40	FGEB	
C[C@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccccc1C#N	3573478	ONDGOXRJCINCTL-NSHDSACASA-N	360.316	3.344	30	40	FGEB	
N#Cc1ccc(CN2CC[C@H](Oc3ccncc3Br)C2)cc1	1849455919	KDQJFRYBIVZPDH-HNNXBMFYSA-N	358.239	3.369	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(Br)c(OCCCCC)c1	36638841	CNYCFRGMOIMNKU-UHFFFAOYSA-N	362.289	3.482	30	40	FGEB	
CCOP(=O)(OCC)/C(C#N)=N/OC(=O)c1ccc(C)c([N+](=O)[O-])c1	1837188	MONUWWLQISGPLR-DTQAZKPQSA-N	369.270	3.163	30	40	FGEB	
O/N=C1/[C@H]2CC[C@@H](C2)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1	100971180	QEZLACWEDHEKLF-YKYSRCJYSA-N	353.388	3.456	30	40	FGEB	
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1	2696491	AQVKNJZIWAYEGI-MRXNPFEDSA-N	371.433	3.186	30	40	FGEB	
Cc1nc(NC(=O)COC(=O)c2ccc(C#N)cc2)c(Cl)cc1Cl	2633871	ADPBCAYUBWNYKE-UHFFFAOYSA-N	364.188	3.364	30	40	FGEB	
Cc1noc(C)c1S(=O)(=O)/N=C(\O)COc1cccc(C(C)C)c1	48491265	MGSGOYXVAACLHA-UHFFFAOYSA-N	352.412	3.139	30	40	FGEB	
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1	4782829	MZBPLADCEVQJKL-BFUOFWGJSA-N	362.389	3.295	30	40	FGEB	
C=CCNc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)s1	5783881	JFZQCNROKJDSFJ-LBPRGKRZSA-N	360.508	3.202	30	40	FGEB	
N#Cc1ccccc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1	409401388	XWGWBHJQOWDUTH-PDGQHHTCSA-N	355.353	3.280	30	40	FGEB	
C[C@](C#N)(NC(=O)CN1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1	569910372	KPHSNRQTIWVBAO-GOSISDBHSA-N	363.864	3.409	30	40	FGEB	
CC(C)c1ncsc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	331320404	LGFKKEVYOZKBKD-INIZCTEOSA-N	354.479	3.117	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	242648740	RFLKWMVSTSCAJK-XUVXKRRUSA-N	355.459	3.400	30	40	FGEB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cn[nH]c2)n1	585295089	ZQAKCVGAAXWRMH-LJQANCHMSA-N	374.452	3.246	30	40	FGEB	
CCOC(=O)/C(=N/Nc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	5024023	GRTYCNUWDFIEOE-UZYVYHOESA-N	368.393	3.336	30	40	FGEB	
COc1ccc([C@@H](C#N)NCCCN[C@@H](C#N)c2ccc(OC)cc2)cc1	17354487	FKRDCLMTLCIITA-OYRHEFFESA-N	364.449	3.103	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	2631834	QRDFVQXNDYPXQJ-RQZCQDPDSA-N	367.814	3.177	30	40	FGEB	
N#Cc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	6047257	DPWUQIKDLOTCKA-RCCKNPSSSA-N	353.447	3.483	30	40	FGEB	
C=CCCC(=O)N1CCC(Cn2c(C)nc3cc(F)ccc3c2=O)CC1	1888860139	JLQHDIMMXIWMOI-UHFFFAOYSA-N	357.429	3.049	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	23477196	XGXPDNQBBQLWEP-UHFFFAOYSA-N	374.897	3.029	30	40	FGEB	
CS/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCc2ccccc2C1	105033458	YDVNKGOLLUMIBS-VHEBQXMUSA-N	360.504	3.461	30	40	FGEB	
C[C@@H](OC(=O)c1ccccc1OC(F)F)C(=O)Nc1ccccc1C#N	3573479	ONDGOXRJCINCTL-LLVKDONJSA-N	360.316	3.344	30	40	FGEB	
O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F	4052796	HYNDEJMHKXOBDU-SNAWJCMRSA-N	352.278	3.473	30	40	FGEB	
CCNC(=S)N/N=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	4691223	HMQTVMGUYDHTOH-LSCVHKIXSA-N	351.815	3.116	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1	6907728	VCGSREFLFQPWMH-ZDUSSCGKSA-N	357.483	3.066	30	40	FGEB	
CCc1ccccc1-n1c(SCCCC#N)nnc1N1CCOCC1	7072975	DRCOCZSHMOXTAK-UHFFFAOYSA-N	357.483	3.062	30	40	FGEB	
C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ncccc1OCCCC#N	97164548	XBKTZCKLNQFFLZ-HOTGVXAUSA-N	360.458	3.481	30	40	FGEB	
CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2ccc3c(c2)ncn3C)cn1	329635848	UQXBMKLNSZCCIC-MAUKXSAKSA-N	353.426	3.015	30	40	FGEB	
C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(-c2ccncc2)cc1	1616738776	QSHRVEZGCMDNFF-AWEZNQCLSA-N	370.416	3.219	30	40	FGEB	
C[C@@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C/C(=N/OCCN)CC[C@@]43C)[C@H]1CCC2=O	299848342	MPYLDWFDPHRTEG-OMNJQZOZSA-N	360.498	3.109	30	40	FGEB	
N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2C[C@@H]2CCCO2)CC1	585100520	LWUYDHDIFDIFNU-SIKLNZKXSA-N	367.493	3.198	30	40	FGEB	
CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccccc2O)cc1)C(F)(F)F	2345585	IPCLIUYHUGGTAQ-ZTBJCTOSSA-N	367.323	3.456	30	40	FGEB	
Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)c1C#N	151283051	KMBYVGSUTALDRP-BBRMVZONSA-N	362.476	3.079	30	40	FGEB	
C[C@H](/N=C(\O)c1cc(F)cc(F)c1)c1cccc(NS(C)(=O)=O)c1	40090096	NZGATEZWMOVEEX-JTQLQIEISA-N	354.378	3.402	30	40	FGEB	
COC(=O)c1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1	11334657	RNZUVYPFTJOHPP-JXMROGBWSA-N	351.402	3.206	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cs1	3569017	UODXTDDHCBLKKG-UHFFFAOYSA-N	357.435	3.025	30	40	FGEB	
CCC[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1Cl	14143543	RKLLGRTUUHLNSZ-LLVKDONJSA-N	366.252	3.157	30	40	FGEB	
Cc1ccc(/C=C/C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1	14161417	IKADAUBCQWIIKI-SGQUHAKNSA-N	353.397	3.149	30	40	FGEB	
CCc1ccc(N2C(=O)[C@H](/C=N/c3ccc(F)cc3)C(=O)NC2=S)cc1	4739280	FJGQTXJYIMVCLN-BTZNOAQDSA-N	369.421	3.155	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(-c3ccccc3)n2)cc1	69522661	MMEXMBXIPUNECU-UHFFFAOYSA-N	355.419	3.183	30	40	FGEB	
Nc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2	18200611	WDGVBJJTONSETJ-GTNSWQLSSA-N	365.368	3.008	30	40	FGEB	
CC(C)(C)n1cc(C#N)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F	84325763	UQQRAWXSFODWHF-UHFFFAOYSA-N	374.391	3.152	30	40	FGEB	
Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	408740658	HWFBSRDJEBJGKJ-VYXQJKENSA-N	371.849	3.415	30	40	FGEB	
C#CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1	33746183	WSRSYAZCRZWMFY-UHFFFAOYSA-N	350.487	3.192	30	40	FGEB	
C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	224820797	XBHPLOUSSSZROF-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c(C)n1	12187406	XEZQHGCBWRZQOM-LJQANCHMSA-N	369.465	3.287	30	40	FGEB	
COc1ccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)cc1	46928791	WHFNVNFLRJXFJC-UHFFFAOYSA-N	361.828	3.134	30	40	FGEB	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(C#N)cc1	7824027	BKHMLZOZOGLBLO-UHFFFAOYSA-N	374.444	3.115	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccnc1	8471624	GARGVAZNFZKRCO-GOEBONIOSA-N	371.510	3.313	30	40	FGEB	
CN1CCCN(c2oc(-c3ccccc3C(F)(F)F)nc2C#N)CC1	526052335	ALBGLDHDDJNHMB-UHFFFAOYSA-N	350.344	3.374	30	40	FGEB	
CCCCCC(=O)O[C@@H]1C=C(C)[C@@](O)(C=O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2O	2048392609	YBVXMQREWROXKL-WDMKGZBDSA-N	366.498	3.172	30	40	FGEB	
COc1ccc(-c2nc(NCc3ccc(F)cc3)nc(O)c2C#N)cc1	40129973	MRRFFRUPNHKSDG-UHFFFAOYSA-N	350.353	3.481	30	40	FGEB	
N#Cc1c(Cl)nsc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1	51234136	NFWBAEUDKBAEAA-AWEZNQCLSA-N	366.849	3.293	30	40	FGEB	
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1	2696493	AQVKNJZIWAYEGI-INIZCTEOSA-N	371.433	3.186	30	40	FGEB	
O=C1c2cn[nH]c2N=C(Nc2ccccc2)[C@@H]1/N=C/c1ccc([N+](=O)[O-])cc1	102986206	GHXSOKVBPRVLBQ-OVEPSTSESA-N	374.360	3.144	30	40	FGEB	
Cc1nn(-c2ccccc2)c(CSc2ncnc3c2cnn3C)c1C#N	12992556	WLQINAKWAKGHSK-UHFFFAOYSA-N	361.434	3.021	30	40	FGEB	
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1	8328180	GJBOEDSWECEEGA-UHFFFAOYSA-N	366.384	3.453	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	409042589	NQIZJUIXYLQZQO-RVDMUPIBSA-N	353.359	3.055	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1c(C(C)=O)oc2ccccc12	9112633	KTOVJBPLBBLQED-UHFFFAOYSA-N	370.434	3.452	30	40	FGEB	
CCC[C@@H](/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl)N(C)C	95456244	IIAWFJHAKKVLCV-NSHDSACASA-N	353.271	3.369	30	40	FGEB	
CC(C)N1CCN(c2ccc(C(=O)O[C@@H]3CCCC[C@H]3C#N)cc2)CC1	95456264	VVPLJWGVERMWCW-AZUAARDMSA-N	355.482	3.456	30	40	FGEB	
CCc1ccccc1/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408765042	ZAAMRSRKSVNYDZ-IXGURIBZSA-N	365.458	3.324	30	40	FGEB	
N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1	98212609	WYCPXBTYGMITHO-UHFFFAOYSA-N	371.444	3.347	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1	252514336	CKXJBNJNUOWCRQ-KZNAEPCWSA-N	361.850	3.436	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1ccc(F)cc1)O3	5447873	ZAHTUSMPCRFEFD-VVWQDTPRSA-N	350.353	3.335	30	40	FGEB	
O=S(=O)(Nc1ncccn1)c1ccc(/N=C/c2ccc(F)cc2)cc1	5332554	AUDQOWDWFLMBJY-CIAFOILYSA-N	356.382	3.167	30	40	FGEB	
COC(=O)c1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1F	23903005	URWPAVSRANLWIL-UHFFFAOYSA-N	361.760	3.188	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(F)c21	100877820	CNRURYRDFKVBGB-ZPHPHTNESA-N	355.350	3.124	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(F)cc1	2463622	LBGMOYSSTRWFTA-NHYWBVRUSA-N	360.410	3.204	30	40	FGEB	
C=C(C)CN1CCN(C(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)CC1	57811670	PGCOYCQPGLWMFQ-UHFFFAOYSA-N	372.900	3.476	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(OC)c2)n1	33325172	DFHBSSKSIKWRNK-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
COc1ccc(/C(O)=N/S(=O)(=O)C2=Cc3ccccc3CC2)cc1OC	58035951	IWSZIYZJORIHOA-UHFFFAOYSA-N	373.430	3.326	30	40	FGEB	
C/N=C1/S/C(=C\c2cc(Cl)c(OCC#N)c(Cl)c2)C(=O)N1C	408854047	WIQFMPISIFMKTE-YEVUBHQRSA-N	356.234	3.428	30	40	FGEB	
COc1ccc(-c2n[nH]c(SCC(=O)Nc3sccc3C#N)n2)cc1	6141580	INQAQXMAMGNFCL-UHFFFAOYSA-N	371.447	3.144	30	40	FGEB	
COc1cc(OC)c(OC)cc1/C=N/c1ccc(N2CCOCC2)cc1	408931101	HEPQINROMHTGCN-KGENOOAVSA-N	356.422	3.300	30	40	FGEB	
CCc1nc2ccccc2c(C(=O)OCC(=O)NC2(C#N)CCCC2)c1C	4977803	FBRRAWGSYSTXPO-UHFFFAOYSA-N	365.433	3.215	30	40	FGEB	
CO/N=C(/c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)c[nH]1	72414112	IFUUHNPQUCKPPW-SILNSSARSA-N	367.321	3.292	30	40	FGEB	
N#C[C@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccc(Cl)cc1	16400669	ZOVHJCXEXDIBDF-CQSZACIVSA-N	358.188	3.459	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)O[C@H](C)C#N)c2)c1	20024323	AQPJZCQCZNPXBC-CQSZACIVSA-N	358.419	3.173	30	40	FGEB	
COc1cccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)c1	100778854	WLYQITNBDFGSBH-UHFFFAOYSA-N	371.396	3.467	30	40	FGEB	biogenic
C=CC[C@H]1C(=O)C=C(OC)[C@]2(OC)[C@H]1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C	59589055	COELSLLVNMRXHB-KILKQMEOSA-N	372.417	3.182	30	40	FGEB	biogenic,in-vitro
Cc1ccc(SCC(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	22138975	GYALLCREGFOYTP-OAHLLOKOSA-N	360.479	3.362	30	40	FGEB	
CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1CC	1237863	HMTYYZFOOJFSFS-CMTMBAJVSA-N	351.497	3.077	30	40	FGEB	
N#C[C@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@H]21	12632428	SWNZAWCVOLSMRF-AZUAARDMSA-N	359.389	3.458	30	40	FGEB	
CCCC(=O)Nc1cccc(C(=O)OC/C(=N\O)c2ccc(OC)cc2)c1	13942919	SJFFQLYZWSVQOE-RELWKKBWSA-N	370.405	3.469	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	4422779	LASMIBZTJJPGOB-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
CSc1ccccc1/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	4738540	MTIZODBSSWKCIC-NPNVKNKFSA-N	371.393	3.149	30	40	FGEB	
COc1ccc2nc(N=C3NCN(C4CCCCCC4)CN3)nc(C)c2c1	19320792	QPYMAJCNIWENID-UHFFFAOYSA-N	368.485	3.067	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224753775	NJRZSBPUYLMRKP-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-]	169810012	GMAMGRPWMDJGHV-UHFFFAOYSA-N	364.207	3.241	30	40	FGEB	
C=CCO[C@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)c2cc(C)ccc21	1565542703	JLRNNGLCBLJTDW-UHYCVJNDSA-N	355.478	3.274	30	40	FGEB	
O=C(/C=C1/NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc(Cl)cc1	4573108	ARESULWAIJQSSD-ZKTNYTPDSA-N	352.821	3.136	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1	8558913	PCUUKCGLXLEJDZ-LJQANCHMSA-N	350.422	3.175	30	40	FGEB	
COc1ccc(/C=N\CC/N=C/c2ccc(OC)cc2OC)c(OC)c1	104151943	GBDTXBWYRXGCTF-VOKWCDJLSA-N	356.422	3.259	30	40	FGEB	
COc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)cc1	102799552	UJLWEAYPNNGYSY-UYTDBDHRSA-N	357.793	3.400	30	40	FGEB	
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCCC1	3238531	FZZULXABQXHBQR-UHFFFAOYSA-N	366.442	3.489	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O	408916915	IPRPFVUQEYCTHF-UKTHLTGXSA-N	351.811	3.417	30	40	FGEB	
CC(=O)O/N=C/c1c(Nc2cccc(Cl)c2)nc2c(C)cccn2c1=O	2311812	XLGYCDUYNDVUDQ-KEBDBYFISA-N	370.796	3.297	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)cc1	5812836	XWXNKLMNDLLREA-UHFFFAOYSA-N	362.385	3.067	30	40	FGEB	
CSc1nn(-c2cc(Oc3cc(C)cc(C)c3)ncn2)c(N)c1C#N	8715062	NZYSDCXINMTPAJ-UHFFFAOYSA-N	352.423	3.247	30	40	FGEB	
CC/N=C1/S/C(=C/c2cn(CC(=O)O)c3ccccc23)C(=O)N1CC	408929399	JGXAXCMOBWXLKR-CRQMPAQMSA-N	357.435	3.038	30	40	FGEB	
CS[C@H]1C(C(=O)c2ccccc2C)=C(CC(=O)O)C(=O)N1CC(C)C	62716458	LBUBMXWSFGRGAY-IBGZPJMESA-N	361.463	3.136	30	40	FGEB	
COc1ccc(C(=O)[C@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1	654968537	BNEJGMNDPXIZLO-JTQLQIEISA-N	369.402	3.367	30	40	FGEB	
CC1CCC(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)CC1	52801413	REVZNDYGZVQNRA-FDYSRKEFSA-N	368.525	3.154	30	40	FGEB	
Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	16311441	ABMVNAXEULXRCJ-OAHLLOKOSA-N	371.322	3.480	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1cccc(Cl)c1	408532464	IELZBWVGVDRICH-LBPRGKRZSA-N	359.744	3.081	30	40	FGEB	
COc1cc([C@H]2NC(=N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	408731981	RJVXYEHCNQYQGD-HXUWFJFHSA-N	365.433	3.306	30	40	FGEB	
CCOC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218093408	OSDRMGRTSKWCQG-AABGKKOBSA-N	371.458	3.181	30	40	FGEB	
N#CC1(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CCCCC1	8340005	AMNIHDBYCHYZPN-UHFFFAOYSA-N	366.417	3.003	30	40	FGEB	
N#Cc1cccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)c1	90504320	KJZDJUSZUMMEPP-UHFFFAOYSA-N	372.428	3.313	30	40	FGEB	
O=C1/C(=C/c2ccccc2O)SC(=S)N1/N=C/c1ccccc1O	16672838	NLNCJEQLEVFVPZ-PFVOVTSXSA-N	356.428	3.333	30	40	FGEB	
Cc1cc(N2CCN(c3ccccn3)CC2)n2c(nc3ccccc32)c1C#N	873011	YOAJKJBVEWBXIT-UHFFFAOYSA-N	368.444	3.389	30	40	FGEB	
CCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3F)cc2)CC1	725022	CKYWFNYBTBCSJN-UHFFFAOYSA-N	352.413	3.092	30	40	FGEB	
N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1	20637771	KJGIRTLXAVRGJP-IUODEOHRSA-N	367.206	3.480	30	40	FGEB	
Cc1c(C(=O)/C=C/c2cnn(C)c2)cnn1-c1ccc(C(F)(F)F)cn1	12594158	ZKLDGIJAGMRIOH-HWKANZROSA-N	361.327	3.224	30	40	FGEB	
C=CCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12	2299440	ZVGGGMMUKJEAIX-UHFFFAOYSA-N	357.417	3.380	30	40	FGEB	
O=C1CSC(=S)N1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	409209797	JBMCWGAIHMRKQR-QLKAYGNNSA-N	350.208	3.096	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(OC)cc2)cc1	17968862	GMSPRFHSESPUAZ-SFHVURJKSA-N	353.374	3.193	30	40	FGEB	
C#CCOc1ccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)cc1OC	36646341	CXWVYMOXTAJBRX-DHDCSXOGSA-N	365.385	3.217	30	40	FGEB	
C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccs1	225125289	APHDFHXPLBYKJV-UHFFFAOYSA-N	351.449	3.306	30	40	FGEB	
N#C[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	225641504	PWULOKMHANZEPC-IAOVAPTHSA-N	361.806	3.148	30	40	FGEB	
COC(=O)C1=C(NC(=O)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1C	98175598	HJWMFHMVKDGYFC-LBPRGKRZSA-N	369.417	3.111	30	40	FGEB	
CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21	250456689	RNYNZSGHBQAGSD-DFZPSUDVSA-N	373.456	3.357	30	40	FGEB	
CCOC(=O)C1=C[C@@H](C2CC2)c2cc(C#CC(C)(C)N)c(F)cc2C1=O	255187341	CVWGTBNIPDHPAR-AWEZNQCLSA-N	355.409	3.094	30	40	FGEB	
N#C[C@@H](C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccc(Cl)cc1	16398780	QGQQQDJVQOPKRD-AWEZNQCLSA-N	358.188	3.459	30	40	FGEB	
Nc1cc(SC(F)(F)C(F)(F)C(F)(F)F)cc2c1OCC(=O)N2	2694308	UPFZIUNHCAMMKR-UHFFFAOYSA-N	364.242	3.482	30	40	FGEB	
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC	4716131	ZZVMVVMYQBYODO-SFHVURJKSA-N	368.437	3.344	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1)c1ccco1	794987	YZOZYNJBZKFQDH-YOEHRIQHSA-N	353.374	3.037	30	40	FGEB	
COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1ccc(F)c(F)c1	32923297	VTQHXDFKDCOZIT-LLVKDONJSA-N	355.300	3.480	30	40	FGEB	
CC[C@@H]1/C(=N\O)C2=C(CCCC2=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12	104315670	FUIIETHMZWPVAF-IWUDECAASA-N	370.449	3.480	30	40	FGEB	biogenic
CCCCCCCCCCNC(=S)NNS(=O)(=O)c1ccccc1	100980459	SIZKEFHYZYALNC-UHFFFAOYSA-N	371.572	3.485	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccc(F)cc3)C(=O)O[C@@H]1C2	4085338	JHLRTSHNUXYPOF-ZQMBKUMFSA-N	373.468	3.442	30	40	FGEB	biogenic
CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccco1	5451296	XSQAXVUDMSFUJC-OAHLLOKOSA-N	364.405	3.181	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2C1=O	14597987	UGGOTGSNXMNXEJ-KDOFPFPSSA-N	352.434	3.263	30	40	FGEB	
COC(=O)c1ccc(COc2ccc(/C=N/n3c(C)n[nH]c3=S)cc2)o1	8511553	QWPSGKVCLATMMK-GIJQJNRQSA-N	372.406	3.090	30	40	FGEB	
C=CCN(C(=O)Nc1ccccc1SC(C)C)[C@@H]1CCS(=O)(=O)C1	95446559	BVBXDNKAJVWBNE-CQSZACIVSA-N	368.524	3.394	30	40	FGEB	
COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c(O)c(OC)c1)C2	85879434	QRQULHYMFADSAK-ACAGNQJTSA-N	356.374	3.249	30	40	FGEB	biogenic
C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1	253617438	MQTQESZYELRKMR-RPUOZLGLSA-N	372.505	3.316	30	40	FGEB	
CC1(C)OB([C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)OC1(C)C	1776007439	CNQCGGJMLRUUCA-MRXNPFEDSA-N	367.258	3.181	30	40	FGEB	
N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1ccc(Cl)cc1	14163221	YPXIEQTWADRGOJ-CABCVRRESA-N	364.792	3.455	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)no1	8740747	FKHXONXDKRNTSQ-MRXNPFEDSA-N	368.320	3.498	30	40	FGEB	
CC(=O)NCCc1ccc(C(=O)COc2ccc(C#N)cc2Cl)s1	40012683	NJTXLXNQRSRYJA-UHFFFAOYSA-N	362.838	3.213	30	40	FGEB	
CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)nc4ncnn34)c2C#N)C1	36619245	FRJOPDRFTKASEN-LLVKDONJSA-N	366.450	3.133	30	40	FGEB	
Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1	2625309	BDQSDTXWQXMTGU-UHFFFAOYSA-N	355.448	3.146	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1	102728509	XROODVDHLZVJQG-SELCWUDQSA-N	369.417	3.355	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1	33327361	OTGDYFLYZOCNRZ-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)NC2CCN(Cc3ccccc3F)CC2)c1	58407502	PGDLKQKSWYGNOG-CMDGGOBGSA-N	363.436	3.491	30	40	FGEB	
CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(OC(F)F)cc1)C2=O	3580916	QNEOCAPMUZIIGY-KEBDBYFISA-N	351.353	3.123	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2	14111789	SBLDMTXRRDLKQW-UHFFFAOYSA-N	367.493	3.129	30	40	FGEB	
CC(C)c1nc(SCC(=O)NC2(C#N)CCCC2)nn1-c1ccccc1	14237913	UWNWVDKZSQHTQD-UHFFFAOYSA-N	369.494	3.435	30	40	FGEB	
COc1cc2cc[n+]([C@@H](C)C(=O)Nc3ccc(C#N)cc3)cc2cc1OC	7814462	ZOTCMIUUMJOSDH-AWEZNQCLSA-O	362.409	3.216	30	40	FGEB	
Cc1oc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1C	72303384	NSDHNIDOWNORJZ-UHFFFAOYSA-N	356.422	3.466	30	40	FGEB	
C#CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	409092211	TXCDWOQMEFENIE-CNYBTUBUSA-N	359.472	3.079	30	40	FGEB	
COc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)cc1	408965933	XSGDWQMFPLJALG-OQLLNIDSSA-N	371.374	3.201	30	40	FGEB	
Cc1sc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C#N)c1C	408626339	GOUOOJTWJKBOGC-UHFFFAOYSA-N	373.459	3.135	30	40	FGEB	
N#Cc1cccc(C(=O)N2C[C@H]3c4ncc(-c5ccncc5)n4CC[C@H]3C2)c1	306129535	IGJSKFBSWMVDMF-RBUKOAKNSA-N	369.428	3.076	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3)ncc2C#N)CC1	87489424	IUUWTUGPCYNJNZ-UHFFFAOYSA-N	365.437	3.072	30	40	FGEB	
COC(=O)[C@@H]1CC[C@@H]2[C@@]34CCC5=CC(=O)CC[C@]5([C@@H]3CC[C@@]21C)[C@H](OC)O4	254567563	RWKSXLXAGGNKPV-YIAFZXSMSA-N	374.477	3.413	30	40	FGEB	
Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1C#N	1101729	LJNHOHTXNRKJGA-VCHYOVAHSA-N	356.385	3.050	30	40	FGEB	
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O	5961508	COFAZZFWAYBRKU-XACIZNRCSA-N	354.358	3.252	30	40	FGEB	biogenic
N#Cc1ccccc1C(=O)c1ccc(CN2CCC3(CC2)OCCO3)cc1	2514720	CPNMETFLBSWDJY-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCCCCC2)CC1	32806423	HUOVSJWGSGNBIZ-UHFFFAOYSA-N	356.426	3.085	30	40	FGEB	
O=C1c2ccccc2N[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1O	653743	VAOIFTOPOPMJKT-KRWDZBQOSA-N	350.334	3.341	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C4CCN(C)CC4)[C@H]3C[C@H]12	12659742	WNMJQUYXUIYGDN-AIYVTKCESA-N	360.542	3.327	30	40	FGEB	biogenic
O=C1/C(=C/c2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCCC1	2128736	MQKLZTCFRTVGCC-GRSHGNNSSA-N	365.385	3.333	30	40	FGEB	biogenic
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1	10677752	ZAYXYGDJVJKCMZ-INIZCTEOSA-N	360.417	3.170	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)CCSc1ccc(F)cc1	6431954	UAEZMCRAFKRWJQ-UHFFFAOYSA-N	364.423	3.423	30	40	FGEB	
COc1cc(NC(=O)Cc2cccs2)c(C(=O)O[C@H](C)C#N)cc1OC	5489869	JCHFSHCODHDXJP-LLVKDONJSA-N	374.418	3.015	30	40	FGEB	
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(C#N)cc1	5400892	RQZWKUNWEPBJPX-LLVKDONJSA-N	353.451	3.481	30	40	FGEB	
C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccncc1	6586442	BORWSNCHDTUSLU-UHFFFAOYSA-N	356.407	3.198	30	40	FGEB	
N#C[C@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218528898	QNYPUCCLMNBFOY-PMPSAXMXSA-N	367.257	3.154	30	40	FGEB	
COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N	225774906	ZNXFIIOIHOXTKD-UHFFFAOYSA-N	354.381	3.393	30	40	FGEB	
C#CCOC(=O)c1ccc2[nH]c(-c3cncc(Br)c3)nc2c1	226236925	DGHOMGKELJHVKH-UHFFFAOYSA-N	356.179	3.177	30	40	FGEB	
Cc1nnc(SCc2cc(=O)n3c([nH]c4ccccc43)c2C#N)s1	14163622	FEPHUNROTSZBLB-UHFFFAOYSA-N	353.432	3.105	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccccc1	100895761	MEROJLQVKWBPID-RTEPIGOCSA-N	374.443	3.127	30	40	FGEB	
O=C1/C(=N\S(=O)(=O)c2cccs2)C(Cl)=C(O)c2ccccc21	5497986	LMFGKRXDUISZLG-VBKFSLOCSA-N	353.808	3.240	30	40	FGEB	
O=C(O)COc1ccccc1/C=N\n1c(C2CCCCC2)n[nH]c1=S	1831478	ZPAMCJBQBJYJMO-ZDLGFXPLSA-N	360.439	3.334	30	40	FGEB	
C#CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC	4997988	KYZUMPMSZVTIAR-SFQUDFHCSA-N	363.369	3.060	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2	6134505	VIGFKJYQZINLMH-HNNXBMFYSA-N	355.467	3.443	30	40	FGEB	
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	102700509	IUDVLMOQFXOYCR-JYJNAYRXSA-N	364.449	3.448	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12	2622467	SNMDAKILXXRKQB-CQSZACIVSA-N	372.281	3.183	30	40	FGEB	
N#Cc1cccc(COC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1	24789701	PFBCUXQKXSNFDB-UHFFFAOYSA-N	365.385	3.426	30	40	FGEB	
Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C1(C#N)CCCC1	58183859	CTWOXMJAJWXGDK-UHFFFAOYSA-N	357.479	3.207	30	40	FGEB	
C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O	409229463	PJGJLEVYVKPGBP-GPLLRDDGSA-N	374.462	3.143	30	40	FGEB	
N#CC1(c2ccccc2)CCC(=NNS(=O)(=O)c2ccccc2)CC1	7985347	UCJODUCKNFDHHS-UHFFFAOYSA-N	353.447	3.356	30	40	FGEB	
COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc([N+](=O)[O-])c1O	4655942	AXFNQPJQJXSHGO-REZTVBANSA-N	365.729	3.107	30	40	FGEB	
C/N=C1/S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1C	4616725	QQJSJCGYSZTTQV-QMZAVZIESA-N	361.648	3.340	30	40	FGEB	
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n1C	4947817	DOGMKYSHNULSLX-GFCCVEGCSA-N	367.434	3.375	30	40	FGEB	
N#Cc1ccc(N2C[C@H]3CCN(Cc4ccc(F)cc4Cl)[C@H]3C2)nc1	1889122736	UTEDOMWXFBBVDF-QAPCUYQASA-N	356.832	3.456	30	40	FGEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1	20191426	QSXKXCZHMGCWST-INIZCTEOSA-N	374.462	3.261	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	6641700	BGAHJMYJMMNPOB-YCRREMRBSA-N	368.389	3.336	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)/C=C/[C@@H]2CC=C(O)[C@@H](OC)C2)ccc1O	100100211	CRCHRNHFHJDFAA-VUNRDQGUSA-N	372.417	3.365	30	40	FGEB	in-vitro
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	102701490	VVXHFFSKBJIFFP-GJZGRUSLSA-N	350.422	3.202	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3[C@@H]3O[C@]132	100771931	MTJYMMDGGCHXAK-NVYZLSAUSA-N	369.505	3.344	30	40	FGEB	biogenic
COc1cc2c(cc1OC)[C@H]1[C@@H](C)/C(=N\O)C3=C(CCCC3=O)N1CC2	100742323	LQDVQQMFGZMWTR-CASWVYAXSA-N	356.422	3.090	30	40	FGEB	biogenic
C=CCn1c(SCC(=O)N[C@H](C)CC)nc2ccc(Cl)cc2c1=O	3369855	JOIIXYUNXYIXHU-LLVKDONJSA-N	365.886	3.243	30	40	FGEB	
Cc1nnc(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C	58280883	HKWFPPQDPKAXIX-CQSZACIVSA-N	352.316	3.009	30	40	FGEB	
Cc1nc(NC(=O)[C@@H](c2ccccc2)n2cccn2)sc1SCC#N	58227693	MIHMLOKQUXSDMY-CQSZACIVSA-N	369.475	3.492	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1Cl	6383976	RRWJNKRCEQMUHK-UHFFFAOYSA-N	367.792	3.417	30	40	FGEB	
C#CCN1C(=O)S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C1=O	14011397	VUTULHRUAZFWEP-LGMDPLHJSA-N	351.431	3.213	30	40	FGEB	
COc1ccc(CCCN(C)CCC(=O)Nc2ccc(C#N)cc2)cc1	83860863	ONJVUNVHBMLJLF-UHFFFAOYSA-N	351.450	3.460	30	40	FGEB	
CCc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1	78957409	CCDQGENVCYNLGD-UHFFFAOYSA-N	351.450	3.017	30	40	FGEB	
O=C1CSC(=S)N1/N=C\c1ccc(OCCOc2ccccc2)cc1	409338489	KWEYQTBJLHHFQG-UNOMPAQXSA-N	372.471	3.339	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1	4180477	FZGLQHWSOIUTPO-OMCISZLKSA-N	364.701	3.331	30	40	FGEB	
O=C1/C(=C/c2cccs2)Oc2cc(OC(=O)N3CCOCC3)ccc21	5149752	YYRRIPZVCCXUEP-WJDWOHSUSA-N	357.387	3.195	30	40	FGEB	
COc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1	1354698	RJCYVTPAGKPVTR-UHFFFAOYSA-N	355.463	3.466	30	40	FGEB	
CCOC(=O)c1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1	2277028	KLWJDNFJLPXOQB-UHFFFAOYSA-N	353.374	3.468	30	40	FGEB	
CCOC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)cc1	100217827	IWSMUBILAXZVQV-FXBPSFAMSA-N	350.378	3.054	30	40	FGEB	
CC(C)CN(CCC#N)CCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	12760551	UQXUHGQYXCMTPM-UHFFFAOYSA-N	374.529	3.043	30	40	FGEB	
COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(C)c(C)c3)S2)cc1	6054333	BUSJUZBVSLSJEA-AGKWGAAGSA-N	367.474	3.476	30	40	FGEB	
CN(C)c1ccc(/C=C2\SC(N/N=C/c3ccccc3O)=NC2=O)cc1	5529470	TWYVVXPZCYFZHS-XAJBPTSZSA-N	366.446	3.052	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)COC)cc1	218408897	WVGMOKCEXWYOMF-VAMGGRTRSA-N	355.459	3.345	30	40	FGEB	
CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/[C@H](C)c1ccc(Cl)cc1Cl	331295475	NJPOCPXJVZLSPE-IUPBHXKESA-N	358.269	3.473	30	40	FGEB	
Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2ccc(F)cc2)n1	589585919	SJAMORBYKBEMEP-UHFFFAOYSA-N	370.409	3.187	30	40	FGEB	
N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](Cn2cncn2)C1	573201946	IEZOQRFMJLSXAS-ZDUSSCGKSA-N	352.829	3.268	30	40	FGEB	
N#Cc1ccc(/C=N/c2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1	4979040	TXQAJEGMCXGDOS-KGENOOAVSA-N	369.446	3.189	30	40	FGEB	
O=C1CCc2cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccc2N1	24507679	TUZCYPGJDDCMAJ-UHFFFAOYSA-N	372.346	3.372	30	40	FGEB	
N#Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C#N)cc3)n2)cc1	898402	CCFXNRKPUROIKE-UHFFFAOYSA-N	369.336	3.263	30	40	FGEB	
C=CCn1c(S[C@H](C(=O)N(C)C)C(C)C)nnc1-c1ccc(OC)cc1	58195648	SSGAAPWKFAQHFM-INIZCTEOSA-N	374.510	3.345	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)c1C#N	59639570	GXNVKAJJFGFAAJ-UHFFFAOYSA-N	357.391	3.291	30	40	FGEB	
C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C	28914586	ZGUBFOKOLGVFLI-WAUIOQPVSA-N	353.378	3.312	30	40	FGEB	
CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccccc1	2624154	AXLJZEASBFPUHB-GOSISDBHSA-N	357.483	3.112	30	40	FGEB	
CC(=O)O[C@@]1(C)C=Cc2ccccc2/C1=N\S(=O)(=O)c1ccccc1	103124162	IYGVTMMSYMSKCH-WOOAAIBNSA-N	355.415	3.213	30	40	FGEB	
C=CCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1	14022457	AQWUGXXVXMNRDC-UHFFFAOYSA-N	373.430	3.076	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C)cc2)cc1	5409113	VXVTYLYYFULURX-BEFAXECRSA-N	365.429	3.263	30	40	FGEB	
CN(CCCc1n[nH]c(N)c1C#N)C(=O)Cc1ccc(-c2ccccc2)cc1	6657525	XNMNBQZNUUSVNL-UHFFFAOYSA-N	373.460	3.164	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)cc1	6909820	DFQVVJUYCQXLNQ-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
CCCCCCCCc1ccc([C@H](O)CC(CO)(CO)[N+](=O)[O-])cc1	114810343	SUSUNJZIRVZIIO-GOSISDBHSA-N	353.459	3.013	30	40	FGEB	
CCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ccc(C#N)cn2)CC1	1888866445	IYOLJMRZCVVVSD-UHFFFAOYSA-N	364.497	3.238	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	100973431	VWYNGOPJBIYBRN-XPRMTSCQSA-N	372.471	3.368	30	40	FGEB	
O=C(CNC(=O)c1ccco1)Nc1cccc(C#Cc2cccs2)c1	32907516	AXUPLGSASKCILI-UHFFFAOYSA-N	350.399	3.109	30	40	FGEB	
C=CCOc1ccc(/C=C2/C(=O)N(CC=C)C(=S)N=C2O)cc1OCC	2889317	JYSNZXSXYDXLII-SDNWHVSQSA-N	372.446	3.303	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1	7602034	GNBNLRLMODZQOV-UHFFFAOYSA-N	365.437	3.367	30	40	FGEB	
Cc1c(C#N)c(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)nc2c1CCC2	53570204	YGGPAWVPAFOVPC-ZWKOTPCHSA-N	371.506	3.013	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1	102484571	VDEWQFKSCXIJQT-SELCWUDQSA-N	369.417	3.471	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C(=O)Nc1ccccc1C)[N+](C)(C)CC3)OCO2	1819794	QQRWEQIQBHZXLU-SFHVURJKSA-O	369.441	3.045	30	40	FGEB	biogenic
C=CCOc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408933924	CEMMYWSOCLFPMP-GHRIWEEISA-N	364.426	3.083	30	40	FGEB	
COc1ccc2oc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c(C)c2c1	4524883	CZYDPIITJJQHNR-UHFFFAOYSA-N	370.405	3.249	30	40	FGEB	
O=C(O)c1ccc(N/N=C/c2ccc(OC(=O)c3cccnc3)cc2)cc1	4962530	AUGWKJUWRZVFBD-WSDLNYQXSA-N	361.357	3.445	30	40	FGEB	
COc1cccc(/C=N/c2cccc(C(=O)O)c2C)c1O[C@H](C)C(=O)O	409241523	YBTGNGMTMOUUML-HMASQMOLSA-N	357.362	3.304	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1	22608292	KFWWBZXMTSHQML-QLJPJBMISA-N	356.451	3.277	30	40	FGEB	
COc1ccc(O)c(/C=N\CC(C)C/N=C\c2cc(OC)ccc2O)c1	16676503	WOIXKQMPNSNVGG-HDSGJDLKSA-N	356.422	3.289	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(F)c21	100877838	KSTZELACFSMCPD-VZCXRCSSSA-N	352.390	3.419	30	40	FGEB	
C=CCn1c(S[C@H](C(=O)NCc2cccnc2)C(C)C)nnc1C1CC1	58279433	WJOKYJNQYKRJPE-INIZCTEOSA-N	371.510	3.170	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1ccccc1Cl	16589508	CIAKWWRADPSVKE-CYBMUJFWSA-N	370.840	3.109	30	40	FGEB	
CCOc1ccccc1NC(=O)N1CCCN(c2ncccc2C#N)CC1	19835031	GKGMXZGQJWVVQD-UHFFFAOYSA-N	365.437	3.096	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1	409283289	RYVJIIDGFYDLSZ-UHFFFAOYSA-N	358.195	3.055	30	40	FGEB	
COC(=O)Cn1c(C)c(/C=N/NCc2ccccc2OC)c2ccccc21	20763609	ONEVZEXBKDTJII-YDZHTSKRSA-N	365.433	3.255	30	40	FGEB	
Oc1ccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)cc1	408731783	NAFTWYIQALXPPF-HYARGMPZSA-N	356.385	3.372	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C#N)C1	5222954	FXQYACLYZBRIJD-NSHDSACASA-N	374.487	3.400	30	40	FGEB	
NC(=O)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1	2450604	PPICTQXTRIRMSD-SLNYWTKHSA-N	367.474	3.126	30	40	FGEB	
COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2)CC(=O)N1C	100553540	DIOVFQDACQWMEM-XOMICKMZSA-N	369.446	3.285	30	40	FGEB	
Cc1cc(=O)c(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1Cl	7990007	YASWURFHRAGOEE-UHFFFAOYSA-N	364.792	3.318	30	40	FGEB	
Cc1ccc(-c2noc(CN3CCN(Cc4cccc(C#N)c4)CC3)n2)cc1	22842053	ZVARSDBCRZJLGM-UHFFFAOYSA-N	373.460	3.235	30	40	FGEB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/n1cnnc1	3255240	FWQIZZQZBKRFBY-AERZKKPOSA-N	354.723	3.327	30	40	FGEB	
O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(O)cc1	409137822	YDXYGOFXYUIOIM-ZROIWOOFSA-N	358.806	3.446	30	40	FGEB	
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cc([N+](=O)[O-])ccc1O	36235823	GBWBILMTACEODF-RIYZIHGNSA-N	359.338	3.331	30	40	FGEB	
CCN(CC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1	2284958	MJZZHUYZVLCEQV-KRWDZBQOSA-N	373.460	3.400	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1OC	5408814	BZQOYDQQXXNBGF-MRXNPFEDSA-N	373.792	3.223	30	40	FGEB	
CC(C)n1c(CCNC(=O)C(C)(C)c2cccc(C#N)c2)n[nH]c1=S	80173362	FOPDCNQPBJGDSX-UHFFFAOYSA-N	357.483	3.030	30	40	FGEB	
COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCC#N	33890160	ZCDUYGNFOAWOSN-UWVJOHFNSA-N	361.745	3.000	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(C(F)(F)F)n1	225926012	INEZXSHVLREDNC-UHFFFAOYSA-N	359.421	3.204	30	40	FGEB	
COc1cccc(/C(CC(O)(C(F)(F)F)C(F)(F)F)=N\N(C)C)c1	5941585	IDIWYAFOWKHUEL-NHDPSOOVSA-N	358.282	3.207	30	40	FGEB	
Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccccc2C#N)c1C	12760438	XVEBLNRKEYGJKA-UHFFFAOYSA-N	364.449	3.074	30	40	FGEB	
COc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1	872062	FBTZGCLICWVLML-UHFFFAOYSA-N	369.446	3.425	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)c(C#N)c1C	1965082	GHDRMKNOUQNFET-UHFFFAOYSA-N	374.418	3.131	30	40	FGEB	
C(=N/OCc1nc2c3cnn(-c4ccccc4)c3ncn2n1)\c1ccccc1	2355571	FARRGQXYLKTDEL-FOKLQQMPSA-N	369.388	3.014	30	40	FGEB	
Cc1cc(O)nc(SCC(=O)N(CCC#N)c2ccccc2)c1C#N	13682813	FMFUVEUGPVZOIG-UHFFFAOYSA-N	352.419	3.006	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1cccnc1	9594967	QSJRATRYBNFLEW-CQSZACIVSA-N	371.510	3.456	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C1	6901297	PTQKRKFORDYLOM-NSHDSACASA-N	359.476	3.109	30	40	FGEB	
N#Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1	98212592	AUFGZHVIWFXSDV-UHFFFAOYSA-N	371.444	3.347	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cccc(C#N)c2)s1	83150559	XBNDFIGTMSZTGL-KGLIPLIRSA-N	361.448	3.081	30	40	FGEB	
C=CCN1CCN(CC2CC2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O	257207443	BHTWYTATXGTZBZ-JOCHJYFZSA-N	361.489	3.400	30	40	FGEB	
N/C(=N\OC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccnc1	8379312	UQBGEOZBXDIGQM-UHFFFAOYSA-N	368.220	3.411	30	40	FGEB	
CN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N/c1nccs1	102760149	JXUDNJAUOLJRLE-IDMLAMRTSA-N	353.432	3.320	30	40	FGEB	
CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1	104164080	PKICAMLCEFIGEZ-CQSZACIVSA-N	357.369	3.419	30	40	FGEB	
CCCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)nc(C)n2)cc1	4015889	NRVKVAQDEWWIKG-RCCKNPSSSA-N	369.469	3.247	30	40	FGEB	
CN(CCOc1ccc(Cl)cc1)CC(=O)N(C)C1(C#N)CCCCC1	8532446	ICSSIUZKMPUGPI-UHFFFAOYSA-N	363.889	3.335	30	40	FGEB	
CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2	89775673	YAOCXLVSOJOTNH-HNNXBMFYSA-N	359.495	3.474	30	40	FGEB	
N#Cc1nccnc1N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1	1776000887	OKSQIQQRBLZPAY-GFCCVEGCSA-N	363.343	3.057	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	19927902	FLDKFHQBXPYLBH-GOSISDBHSA-N	368.433	3.118	30	40	FGEB	
Cc1oc(NC(=O)COC(=O)c2cc(C)n(C3CC3)c2C)c(C#N)c1C	21489938	KNTLEGWXCNANIR-UHFFFAOYSA-N	355.394	3.317	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccnc2)/C1=C(\O)c1ccccc1	102883848	VGWZGSIUMOVZCO-LFVOPCPISA-N	371.396	3.099	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nnc(C3CC3)n2C2CC2)n1	7851305	VVHYNLJZYSZITR-GFCCVEGCSA-N	359.480	3.224	30	40	FGEB	
N#Cc1ccc(OCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1	58192541	JDSCTLCTWYZNAV-UHFFFAOYSA-N	369.490	3.027	30	40	FGEB	
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(C#N)cc1	3497496	KGUUNGSLOFMFOH-UHFFFAOYSA-N	361.357	3.317	30	40	FGEB	
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(N)=O)CC1	6880034	PHIZHKAWOMQHPF-UHFFFAOYSA-N	365.458	3.047	30	40	FGEB	
C=CCn1c(CCCC)nnc1S[C@@H](C)C(=O)Nc1nccs1	408560423	HUANYXYNHJTXLV-NSHDSACASA-N	351.501	3.383	30	40	FGEB	
C=CCOC(=O)N[C@H](CC(=O)Nc1ccc(CCN)cc1)c1ccccc1	2362801568	XWGUYWGQUJNDBP-LJQANCHMSA-N	367.449	3.170	30	40	FGEB	
C[C@@H](/N=C(/O)CN1CCC=C(c2ccccc2)C1)C(=O)N1CCCCC1	328911155	NYUCFDOFYUROKC-QGZVFWFLSA-N	355.482	3.133	30	40	FGEB	
CCc1ccccc1-n1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)n1	256046546	GNVGXJUEJHIGDQ-UHFFFAOYSA-N	372.476	3.024	30	40	FGEB	
N#C[C@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	107335057	KHXXHIAKMMJUER-AUZPSNTRSA-N	367.474	3.476	30	40	FGEB	
COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)cc(OC)c1OC	19134790	PYVODPVOORKRSA-UHFFFAOYSA-N	353.422	3.497	30	40	FGEB	
C[C@@]12OC(=N)[C@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1	100099507	RHQCNXVWUHSVNE-DUPRYPCISA-N	358.357	3.402	30	40	FGEB	
COc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1	20249640	ILOQXYKFSMNFRX-UHFFFAOYSA-N	366.442	3.426	30	40	FGEB	
CCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CC)n2cnnc2S1	4518309	FPSYHFAUAXYXDX-UHFFFAOYSA-N	356.451	3.223	30	40	FGEB	
COc1ccc(-c2nnc(S)n2/N=C\c2cccc(OC)c2OC)cc1	4679873	FGJZHGMTSRAKPP-ODLFYWEKSA-N	370.434	3.142	30	40	FGEB	
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(SC)cc1)CC(=O)N2	4944373	JMHIXIVIBVSFOL-GFCCVEGCSA-N	359.476	3.244	30	40	FGEB	
Cc1cccc(NC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)n1	58184520	PUUSLXJJXAQVHX-UHFFFAOYSA-N	356.376	3.395	30	40	FGEB	
N#CCSc1ccccc1NC(=O)Cn1cccc(C(F)(F)F)c1=O	12791112	BSAFFLBQVFVEFC-UHFFFAOYSA-N	367.352	3.121	30	40	FGEB	
N#Cc1c(F)cccc1N1CCC(NC(=O)CCc2ccccc2)CC1	48302069	RHQCRJBUMJLYQV-UHFFFAOYSA-N	351.425	3.415	30	40	FGEB	
Cc1nc(SCC(=O)NC(=O)NC2CCCCC2)c(C#N)c(C)c1C	5172394	STUKVZPXDOEEFP-UHFFFAOYSA-N	360.483	3.129	30	40	FGEB	
C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	14142004	LPYCJSKLIOJYKF-SECBINFHSA-N	364.862	3.072	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccnc1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195659	CMODRIVVPAKUGG-KRWDZBQOSA-N	358.401	3.125	30	40	FGEB	
C=CCn1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21	409098069	JZPLHOYKXWKCLS-SEJMYLSOSA-N	370.430	3.425	30	40	FGEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)(C)C	409403493	IEYDKPMFMGLAFQ-DFEHZGFQSA-N	368.433	3.014	30	40	FGEB	
CCOc1ccccc1/C=N\NC(=S)N/N=C\c1ccccc1OCC	34702383	QNJARJUWDWNJMF-NMGXZBPKSA-N	370.478	3.316	30	40	FGEB	
Cc1[nH]c2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2c1C	7984952	HXNQRSYTUDPBDA-UHFFFAOYSA-N	353.422	3.284	30	40	FGEB	
COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(OC)c1O	3034650	OHXJLSGEBDJJDV-GDNBJRDFSA-N	356.403	3.301	30	40	FGEB	
N#Cc1cc2c(nc1N1CC(n3c(C4CC4)nc4ccccc43)C1)CCOC2	1775972845	YKGMJXHVJRAMRF-UHFFFAOYSA-N	371.444	3.314	30	40	FGEB	
COc1ccc(/C=N/c2ccc(NC(=O)CCC(=O)O)cc2)c(OC)c1	4263776	SMINGXWHBVULND-UDWIEESQSA-N	356.378	3.258	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccs2)no1	102883500	NHOOPLAMOZTPIU-MRPLLJTBSA-N	356.359	3.264	30	40	FGEB	
Cc1ccc(C#N)c(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)n1	89626850	VCENMDYDSWGYTE-UHFFFAOYSA-N	364.449	3.318	30	40	FGEB	
Cc1nc(CC(=O)N[C@H](C#N)c2cccc(Br)c2)cs1	89709074	ZQTUQMBNSXACPJ-CYBMUJFWSA-N	350.241	3.138	30	40	FGEB	
O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1ccccc1F	2369960	KQOYXOKISJQGLF-UHFFFAOYSA-N	369.377	3.223	30	40	FGEB	
C=CC/N=C(/S)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	13637715	YWNJAFHGCRJSFQ-UHFFFAOYSA-N	353.513	3.053	30	40	FGEB	
Cc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c(C)c1	95462107	RGUDNXNPIQMUMT-UHFFFAOYSA-N	366.446	3.044	30	40	FGEB	
CCOC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2OC)c1	409238224	MDPWYJIATBEPQV-JCMHNJIXSA-N	368.433	3.459	30	40	FGEB	
Cc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccccc1	6110227	QSVDISVGQRRAHY-CQSZACIVSA-N	369.494	3.399	30	40	FGEB	
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C=O)CC(C)C	256009009	WJQLUFQGNVGLKR-CGTJXYLNSA-N	362.470	3.057	30	40	FGEB	
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C	661336552	MPAZPXVOORCLJJ-KCMWZYNZSA-N	364.873	3.403	30	40	FGEB	
CSc1nc(C)cc(N2CCC(COc3cc(C#N)ccn3)CC2)n1	1889114164	LGKQEKXMPVNAMM-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
C=CCNC(=S)NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1	2180959	CTJKCQVAHHIFKV-UHFFFAOYSA-N	362.462	3.183	30	40	FGEB	
COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)cc2[nH]c1=O	883090	URURYRILHZHNED-MRXNPFEDSA-N	361.401	3.166	30	40	FGEB	
O=C(COc1ccc(/C=N\O)cc1Br)Nc1ccccc1F	108203231	CUMMVIZEYDBPGJ-LSCVHKIXSA-N	367.174	3.414	30	40	FGEB	
N#Cc1cccnc1NCCNc1ncnc2sc3c(c12)CCCC3	52189502	SLMQWSABILXMFH-UHFFFAOYSA-N	350.451	3.361	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	8477657	FIHSZQOBGCKRCL-UHFFFAOYSA-N	363.417	3.302	30	40	FGEB	
CC(C)CCNc1nc(C(=O)OCC(=O)Nc2ccccc2C#N)cs1	7353565	UWCCFOQFZRYWBA-UHFFFAOYSA-N	372.450	3.268	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccco2)n(C[C@@H]2CCCO2)c1C	8734795	LOWKMSRQKFHSGZ-ZBFHGGJFSA-N	370.453	3.038	30	40	FGEB	
CC(C)CN1/C(=C/c2ccc(O)cc2)C(=O)c2ccccc2S1(=O)=O	9485419	PWIIJFOGPFCAGS-GZTJUZNOSA-N	357.431	3.276	30	40	FGEB	
N#Cc1c(NC(=O)c2cnc3ccccn3c2=O)sc2c1CCCCC2	73461656	SZLQVXJVFBIEAC-UHFFFAOYSA-N	364.430	3.149	30	40	FGEB	
CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SCCC#N)c1	78568557	PJAVTTGJNXPFQU-UHFFFAOYSA-N	360.460	3.348	30	40	FGEB	
Cc1cc(N2CCCCC2)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409404882	FFNNMNZCXREYFS-CPLUKWAASA-N	363.461	3.126	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1	242722949	XZIFXFOCGAOULE-GUDVDZBRSA-N	359.422	3.312	30	40	FGEB	
CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2c(F)nccc21	953064958	JRDUTKJTWJLWSQ-UHFFFAOYSA-N	362.210	3.258	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2Br)cc1	5415756	GHQRHGNPHYRGPB-MHWRWJLKSA-N	353.241	3.070	30	40	FGEB	
COc1cc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cc(OC)c1O	58194994	HMBAWEHOUFLSPS-MDZDMXLPSA-N	365.389	3.195	30	40	FGEB	
C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1	27794431	LRSBOUAHUPWHSD-IBGZPJMESA-N	354.450	3.293	30	40	FGEB	biogenic
N#Cc1ccc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	14908237	YVWRCAMEFVGOPS-UHFFFAOYSA-N	374.183	3.100	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(SCc2cccc(C#N)c2)nc1	7053556	UCSSAZRQMJCSDX-UHFFFAOYSA-N	361.492	3.276	30	40	FGEB	
Cc1nn(CC(=O)c2ccc3c(c2)-c2ccccc2C3)c(=O)c(C#N)c1C	7781885	DHSALDBCJZYTTG-UHFFFAOYSA-N	355.397	3.186	30	40	FGEB	
CN(Cc1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1	21224602	XPAPLZLEPAXFIH-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(O)cc1	409350864	UQVGTDJFVZPCKM-UHFFFAOYSA-N	374.400	3.097	30	40	FGEB	
C=CCOc1cccnc1C(=O)Nc1nc2c(s1)CN(C(C)C)CC2	541271200	MFMJDPVAYZSOHR-UHFFFAOYSA-N	358.467	3.122	30	40	FGEB	
C[C@@](C#N)(NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12)C1CC1	8429144	WGIOMQMNRLKLSK-INIZCTEOSA-N	365.220	3.124	30	40	FGEB	
COc1ccc(NC(=O)C2(C#N)CCCCC2)cc1C(=O)N1CCCC1	225959562	MAUMQIYUEHXPMU-UHFFFAOYSA-N	355.438	3.344	30	40	FGEB	
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	96229923	PTZPNQGFTBQEJM-JOCHJYFZSA-N	363.461	3.408	30	40	FGEB	
C/C(=N\OCCOc1ccccc1)c1sc2nc(C)cc(=O)n2c1C	524735273	NEGDWIAVGYDICW-DEDYPNTBSA-N	357.435	3.192	30	40	FGEB	
N#Cc1ccc(Nc2cccc(C3CCN(Cc4cn[nH]c4)CC3)n2)cn1	585293699	KGOCEZGXOOCBRR-UHFFFAOYSA-N	359.437	3.195	30	40	FGEB	
COc1ccc(Cl)cc1/C=C\C=N/c1ccc(S(N)(=O)=O)cc1	5030980	BPYINGGETDQRCD-WRPFZODHSA-N	350.827	3.412	30	40	FGEB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1	888411	GBOUXHQTVZFOFR-UHFFFAOYSA-N	369.446	3.478	30	40	FGEB	
N#CC1(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)CCCCCC1	32906662	VZIKMFWJXZRAIG-UHFFFAOYSA-N	351.353	3.153	30	40	FGEB	
N#Cc1ccccc1-c1ccc(Cn2c(-c3ccccn3)noc2=O)cc1	58356418	PEDCBPKMFRZIDP-UHFFFAOYSA-N	354.369	3.485	30	40	FGEB	
Cc1nc(SCC(=O)NCCc2ccccc2F)c(C#N)c(C)c1C	7097482	RFQKOHIFLSVNPM-UHFFFAOYSA-N	357.454	3.469	30	40	FGEB	
COc1ccc(N/N=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1	408726355	QUYVSIATWCMFLW-PGMHBOJBSA-N	354.362	3.078	30	40	FGEB	
CCn1c(N/N=C/c2cc([N+](=O)[O-])c(OC)cc2OC)nc2ccccc21	408692677	RZWLJTZOBYOSMO-YBFXNURJSA-N	369.381	3.428	30	40	FGEB	
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccccc1	225860960	OIPPWVJYHHSZTK-UHFFFAOYSA-N	360.417	3.180	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C#N)C1	4517891	NKOMZSRWMXMUIL-NSHDSACASA-N	374.487	3.400	30	40	FGEB	
C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1cccnc1)O2	102716213	HTIUHCFSDHKOSC-DIJFTKHXSA-N	369.384	3.204	30	40	FGEB	
CN(C)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1N1CCCCC1	59489794	OMGLZWUDLBEAJS-XMHGGMMESA-N	361.467	3.271	30	40	FGEB	
COc1ccc2nc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)[nH]c2c1	7985750	QDPNSIGFTJGDMN-GFCCVEGCSA-N	358.467	3.395	30	40	FGEB	
CN(Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3)c1ccccc1	12533871	MBHHQIZFVIKCOZ-UHFFFAOYSA-N	364.474	3.497	30	40	FGEB	
CC(=O)N(c1nc(Cn2cnc(C#N)n2)cs1)c1c(C)cc(C)cc1C	14143890	UMYOSYVRTIUGAR-UHFFFAOYSA-N	366.450	3.264	30	40	FGEB	
N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)sc2c1CCC2	25208037	XRLJECRQQVTVES-ZDUSSCGKSA-N	358.394	3.445	30	40	FGEB	
CC[C@@H]1/C(=N\O)C2=C(CCCC2=O)N2CCc3cc(OC)c(OC)cc3[C@H]12	524730981	FUIIETHMZWPVAF-CGOGNACUSA-N	370.449	3.480	30	40	FGEB	biogenic
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@H]2C)n1	260715157	MAVLIWDBKGLKGH-OAHLLOKOSA-N	374.558	3.318	30	40	FGEB	
Cc1ccc(OCC(=O)/N=C2\N=C3N=CC=CN3Cc3ccccc32)cc1	5574717	VOSZGZRMEGPAKN-ATJXCDBQSA-N	358.401	3.117	30	40	FGEB	
C=CCN1c2ccccc2N[C@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	4628922	VWGVBEZKZHABEQ-PCCBWWKXSA-N	361.445	3.360	30	40	FGEB	
Cc1cc(C)n([C@@H](CNC(=O)c2cccc(C#N)c2)c2ccsc2)n1	575613679	KBTNWBZWBLOEDA-SFHVURJKSA-N	350.447	3.453	30	40	FGEB	
N#Cc1cccnc1N1CCC(CNC(=O)c2cc3ccccc3o2)CC1	70929114	FGGHYPSCKZREGQ-UHFFFAOYSA-N	360.417	3.346	30	40	FGEB	
C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1	2429994	QKRYLFVXNBMBNN-UHFFFAOYSA-N	354.435	3.337	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1	24237446	CSRAHPSACYBTJM-ZDUSSCGKSA-N	364.492	3.046	30	40	FGEB	
CCc1c(/C(C)=N/Nc2ccc(S(N)(=O)=O)cc2)oc2ccccc12	43775548	MNKLUKAXBWDBHL-UDWIEESQSA-N	357.435	3.479	30	40	FGEB	
O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)C1CCCCC1	58072903	SFYGREFTGWUQQG-VQHVLOKHSA-N	351.424	3.090	30	40	FGEB	
C#CCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O	408916258	AJAMBKIHLRBATI-YHYXMXQVSA-N	372.627	3.478	30	40	FGEB	
COc1ccc(OC)c([C@]2(O)CS/C(=N/c3cccnc3)N2C2CC2)c1	6320064	VJHLTTIWONFKNJ-AZZGVMCLSA-N	371.462	3.143	30	40	FGEB	
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	32422863	SZLNUUNKGBGREX-CQSZACIVSA-N	359.447	3.146	30	40	FGEB	
CC(C)[C@@H](C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1)C(=O)O	5707126	ABMZXLFWSNGJPU-QJGCXADHSA-N	364.358	3.428	30	40	FGEB	
CN(C)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N	12422057	HAPHYBQPBUUETG-UHFFFAOYSA-N	355.341	3.412	30	40	FGEB	
O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2	5244860	MUEZBSSROFLWGW-JLTOFOAXSA-N	358.401	3.399	30	40	FGEB	
C=CCN(C(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2	21320690	DTSWUQKVAPSRAM-UHFFFAOYSA-N	369.446	3.149	30	40	FGEB	
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/NCc2ccccc2Cl)c1	8811715	DLGUCPNHMWXLKY-FYJGNVAPSA-N	374.828	3.209	30	40	FGEB	
N#Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1	2645595	CVNZJBXXACDHGJ-UHFFFAOYSA-N	355.703	3.031	30	40	FGEB	
Cc1sc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C#N)c1C	32986039	FIGXEGSZHMASMX-UHFFFAOYSA-N	352.419	3.358	30	40	FGEB	
C#CCOc1cccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2cccnc2)c1	100148626	MSUPATHWOSMUIZ-NHCUHLMSSA-N	362.473	3.213	30	40	FGEB	
Cc1nc2c(cc(OCC(=O)/N=C3/NCCS3)c3ccsc32)s1	43112613	CCBPXBKTPCHNFJ-UHFFFAOYSA-N	363.489	3.417	30	40	FGEB	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCc2ccccc21	24842653	GPRBTKUACLUJQH-HXUWFJFHSA-N	373.460	3.344	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)Cc1ccc(Br)cc1	3233563	CWVWYZWFHLTKTC-UHFFFAOYSA-N	373.206	3.045	30	40	FGEB	
COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccccc2)N(C)C(=O)N1C	12900860	WHMQQXPKXCEVHF-OAHLLOKOSA-N	370.430	3.096	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2ccccc21	5444040	JHKNQLUQOQBEJT-UHFFFAOYSA-N	356.328	3.424	30	40	FGEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)ccc1O	4679950	LVGSJMZGPVFUKY-GOSISDBHSA-N	352.390	3.302	30	40	FGEB	
C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O	409142023	KVSIDDAJHBVHLW-IEMQHYRPSA-N	362.426	3.273	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(F)cc1	409300883	YQVQPAIXBCLANU-UHFFFAOYSA-N	360.186	3.489	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2c(Cl)cccc21	46085223	AKSZFAFRVYXMFQ-JZJYNLBNSA-N	360.797	3.343	30	40	FGEB	
C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O	2065505	IUUFIWYGOFJTLQ-GDNBJRDFSA-N	352.346	3.032	30	40	FGEB	
O=C(O)COc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1	7165624	WLCMEGTULFJEJP-GDNBJRDFSA-N	354.387	3.042	30	40	FGEB	
N#CCCn1cc(C(=O)Nc2ccccc2)c(-c2ccc3c(c2)OCCO3)n1	5000360	RYMNPQAXVLCCOL-UHFFFAOYSA-N	374.400	3.487	30	40	FGEB	
O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)Nc1ccc(F)c(Cl)c1	21132090	QHFIFNFCAVOZED-ZDUSSCGKSA-N	369.849	3.338	30	40	FGEB	
COc1ccc([C@H]2CCCN2CC(=O)Nc2sccc2C#N)c(OC)c1	7739948	ZSDITNVYNNFFNM-MRXNPFEDSA-N	371.462	3.413	30	40	FGEB	
COc1cccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)c1	28047672	LKSLSLAUOLDKEQ-UHFFFAOYSA-N	371.443	3.491	30	40	FGEB	
CCn1cc(N/C=C/C(=O)c2cc(Cl)cc(Cl)c2)c(C(N)=O)n1	2794721	QAINFQCCUKIEQY-ONEGZZNKSA-N	353.209	3.117	30	40	FGEB	
COc1cccc(/C=N/n2cnnc2SCc2ccc(C)cc2)c1O	940371	FYQRTOUCNDMASK-KEBDBYFISA-N	354.435	3.475	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([C@H](O)c2ccccc2)CC1	24763638	WFGIUVVFRSIWBR-HRAATJIYSA-N	363.461	3.331	30	40	FGEB	
O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(C(F)(F)F)cc1	47538825	WVOQFHRIKXBISQ-UHFFFAOYSA-N	372.343	3.334	30	40	FGEB	
CC(C)N1/C(=C\c2ccc(N(C)C)cc2)C(=O)c2ccccc2S1(=O)=O	68736414	BCUMFXVCCGMEPQ-AQTBWJFISA-N	370.474	3.389	30	40	FGEB	
CC(C)OC(=O)COc1ccc(/C=N/Cc2ccc(C(=O)O)cc2)cc1	409185071	RJEVCQGCOIIPTH-CIAFOILYSA-N	355.390	3.334	30	40	FGEB	
O=C(O)c1cccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)O)c2)c1	409103866	XGJRYFAQQGADAG-JAIQZWGSSA-N	350.330	3.330	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)C(=O)O1	1547200750	CIOCTVNHHZLTJK-YRNVUSSQSA-N	365.263	3.137	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(C(F)(F)F)n1	225926112	AGMGRIZBBRRLKH-QWRGUYRKSA-N	373.448	3.450	30	40	FGEB	
C=C(C)COc1ccc([C@H](CC(=O)OC)c2oc(C)cc(=O)c2O)cc1	96114691	UIDXLGCSPCFYSC-INIZCTEOSA-N	358.390	3.304	30	40	FGEB	biogenic
N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1	278066184	ZHUOKIVGSLTWAO-OTWHNJEPSA-N	374.444	3.365	30	40	FGEB	
N#Cc1ccc(N=c2cnc([C@H]3CCCCN3Cc3ccncc3)c[nH]2)cn1	585293684	JTFQINADNDPZBJ-HXUWFJFHSA-N	371.448	3.031	30	40	FGEB	
COc1ccc(Cl)cc1C/C=N\NS(=O)(=O)c1ccc(C)cc1	5031035	NXJDZSFTKFIIKL-ZDLGFXPLSA-N	352.843	3.164	30	40	FGEB	
Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)n1	15778047	YAPHCRLOBQDWOD-UDWIEESQSA-N	368.418	3.042	30	40	FGEB	
C[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)NC(=O)c1ccccc1	32898897	OTTFOECKDIGAMF-HNNXBMFYSA-N	361.401	3.063	30	40	FGEB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)NC1=O	17027982	NQFQCTBJBDOHLR-ODLFYWEKSA-N	369.380	3.471	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(C[C@@H]2CCCO2)c1C	8487076	QGJXCILFPBZGKP-HNNXBMFYSA-N	370.478	3.281	30	40	FGEB	
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1	12550320	BVKMUJYTRDMRKH-JOCHJYFZSA-N	370.456	3.500	30	40	FGEB	
CC1=C/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)C(Br)=C(C)C1=O	26787177	ZBZMXGJNCZZJLA-SFQUDFHCSA-N	363.167	3.374	30	40	FGEB	
CCOc1ccc(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)cc1	48452086	JKBIDMBIAOFCAZ-UHFFFAOYSA-N	352.412	3.199	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)c1cc3c(cc1N2)OCO3	18196760	XPBYNFTZZKTOHP-IBGZPJMESA-N	351.358	3.391	30	40	FGEB	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCC[C@@H]3C#N)cc2)CC1	96004118	FGRMQWUBWBCEQK-AEFFLSMTSA-N	354.454	3.372	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1	72277871	YTJCXMBVNJBFHK-GOSISDBHSA-N	371.481	3.149	30	40	FGEB	
O=C(O)c1cccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)c1	36136808	YONDZRQJIZPKNI-MOSHPQCFSA-N	364.430	3.496	30	40	FGEB	
C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1	217436942	PEPOOMGVBUPMCI-UHFFFAOYSA-N	364.467	3.152	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(C(F)(F)F)n1	225926196	PWVHTMDJAWGBMI-UHFFFAOYSA-N	359.421	3.348	30	40	FGEB	
N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@@H](c2ccccc2)C1	256049325	ZIQCOZLHILNJKJ-OAHLLOKOSA-N	360.377	3.041	30	40	FGEB	
COc1ccc(/C(C)=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1	5164035	SALGTHQPXPSVPS-XMHGGMMESA-N	362.451	3.023	30	40	FGEB	
Cc1c(/N=C\[C@@H]2CCCN3CCCC[C@@H]23)c(=O)n(-c2ccccc2)n1C	17610812	SEXYFKGWMWZYHK-QVQGDJTNSA-N	352.482	3.451	30	40	FGEB	
C#CC(CC)(CC)NC(=O)[C@@H](NC(=O)c1ccccc1OCC)C(C)C	3409589	LLCXMWNNECBMSX-SFHVURJKSA-N	358.482	3.148	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1C(=O)O	102045229	QHCWZGOLDHXZNI-CYBMUJFWSA-N	353.378	3.014	30	40	FGEB	
C=CCc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(O)c(OC)c1	32869479	GMQPDAUJVWDZLJ-UHFFFAOYSA-N	362.470	3.182	30	40	FGEB	
Cc1c(/N=C2/C(=O)N(C(C)C)c3ccccc32)c(=O)n(-c2ccccc2)n1C	12614678	OZFQNJOJXJDVCT-BSYVCWPDSA-N	374.444	3.360	30	40	FGEB	
Cc1nc(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C#N)c(C)c1C	5089298	LDJHHZPWVMXTRK-CYBMUJFWSA-N	368.462	3.097	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1	6238828	RETXEZLYRAPRCG-GOSISDBHSA-N	369.392	3.441	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2cccc(F)c2)o1	409408090	PDUNYPFWMYKEFX-DSIZOQBWSA-N	350.349	3.227	30	40	FGEB	
C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224776406	HZTCCRNVBYCOBF-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224780953	DSZXZYDKZIGNGF-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(CC)c2)s1	224678266	SFZMUFSOMZBOTR-UHFFFAOYSA-N	371.509	3.188	30	40	FGEB	
COc1ccccc1/C=C/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O	5215689	DEDAIOJUWHPMGL-GIADAODISA-N	372.398	3.206	30	40	FGEB	
CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1	4280358	UNFHKLGKPIGWLY-UHFFFAOYSA-N	369.446	3.316	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(OCC)c21	100909900	SEIFPQWZQCEAHW-MRCUWXFGSA-N	366.442	3.484	30	40	FGEB	
COC(=O)c1sc(NC(=O)c2ccc(Br)o2)c(C#N)c1C	2741425	SMQXAJKFNUXEEU-UHFFFAOYSA-N	369.196	3.323	30	40	FGEB	
COc1ccccc1/N=C1\NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)S1	59226937	CYPAJKDYISGABK-ZROIWOOFSA-N	371.374	3.201	30	40	FGEB	
COc1cc([C@H](C#N)NC(=O)CCc2ccccc2F)cc(OC)c1OC	58213341	LRDFXILGMNAOMS-INIZCTEOSA-N	372.396	3.165	30	40	FGEB	
COc1ccc(OC)c(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)c1	4729003	UDSGHDLMADOLNV-FOKLQQMPSA-N	374.404	3.279	30	40	FGEB	
C=CCN1C(=O)CCC12CCC(NC(=O)CCc1ccccc1F)CC2	2055819364	PTWOOIOQQCYZOQ-UHFFFAOYSA-N	358.457	3.364	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)NCCc2ccc(-c3ccco3)s2)cc1	2086896923	YMIZCRGPJHRREI-UHFFFAOYSA-N	358.444	3.401	30	40	FGEB	
C=CCNc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc23)s1	7974554	HMXORLPQQHMHEN-UHFFFAOYSA-N	371.447	3.485	30	40	FGEB	
Cc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@H](C)CC1=O)N2	22608119	BJCFJWMOTDPJDU-ZKANADHPSA-N	373.800	3.416	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1	6980625	MTQIWHMPAFEHSE-GOSISDBHSA-N	367.474	3.262	30	40	FGEB	
CS[C@@H]1C(C(=O)c2ccc(C)cc2)=C(CC(=O)O)C(=O)N1CC(C)C	62716433	HWDDZHVTKMOQJF-LJQANCHMSA-N	361.463	3.136	30	40	FGEB	
CCOc1ccc2c(c1)O/C(=C\c1ccccc1OCC(=O)OC)C2=O	4478682	FRVQQVGGNMXNPI-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
CCOc1cc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)ccc1O	4457593	LFHFNNWLAJMYRR-RGVLZGJSSA-N	362.393	3.067	30	40	FGEB	
COc1ccc2cc(CNS(=O)(=O)c3cccc(C#N)c3)ccc2c1	14098454	NCANPOYDLCKBSQ-UHFFFAOYSA-N	352.415	3.199	30	40	FGEB	
COc1cccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1	85409121	NFCGSWHBXIUDTL-INIZCTEOSA-N	360.373	3.118	30	40	FGEB	
Cc1c(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cnn1C	225393575	SUPKUNNLCNBJFL-HWKANZROSA-N	373.206	3.494	30	40	FGEB	
Cc1ccc(N2C[C@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cc1	585101599	YXOCUVSDJPZXMG-HXUWFJFHSA-N	351.450	3.034	30	40	FGEB	
Cc1cnc(N(C)[C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)nc1	1889180435	DUZGDVGFXMBUPN-QGZVFWFLSA-N	358.449	3.310	30	40	FGEB	
C=CCOc1ccc(CN(C)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1	23384605	DPSKPOKVTNSSQU-IERDGZPVSA-N	371.481	3.141	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1ccccc1Cl	3351321	FIOBXMINHFISGV-CYBMUJFWSA-N	370.840	3.109	30	40	FGEB	
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccccc1CC#N	22619435	NTCCOXPXHBMFLU-UHFFFAOYSA-N	374.799	3.361	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)c2ccc(O)cc2)sc2c1CCCCC2	3246650	IJAMRFYMBNZYHJ-UHFFFAOYSA-N	370.430	3.390	30	40	FGEB	
N#Cc1ccccc1N1CCCN(C(=O)CNc2ccccc2Cl)CC1	63645479	CSMGRYLECLBFDJ-UHFFFAOYSA-N	368.868	3.362	30	40	FGEB	
C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC1(C#N)CCCCC1	4251968	XQOZFZAETPVGQH-CQSZACIVSA-N	369.494	3.087	30	40	FGEB	
COC(=O)[C@@H](C)Oc1ccccc1/C=C1\Oc2cc(OC)ccc2C1=O	4339880	YFMAZHNQSLZXKI-HIPMGEKLSA-N	354.358	3.252	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218450067	STTNTPUHXVNITG-CEXWTWQISA-N	359.422	3.230	30	40	FGEB	
COc1ccc(CN2CCN(c3cc(C#N)cc([N+](=O)[O-])c3C)CC2)cc1	42110206	CCVRJJCVLMTTEU-UHFFFAOYSA-N	366.421	3.106	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(C[C@H]2CCCO2)CC3)cc1	585100049	DFRQGHSIMPPCGF-IRLDBZIGSA-N	367.493	3.198	30	40	FGEB	
C[C@@H]1CCCC[C@@H]1/N=C(/S)Nc1cccc(S(=O)(=O)N(C)C)c1	13637278	HEAXFPQRAUFHAP-DOMZBBRYSA-N	355.529	3.213	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccnc1	40382588	CFEGVHSLUKAGBM-CYBMUJFWSA-N	374.425	3.052	30	40	FGEB	
Cc1ccc([C@H](CN/C(=N\C(C)C)c2cccs2)N2CCOCC2)o1	57991418	BWPHNHOECMWBBC-INIZCTEOSA-N	361.511	3.468	30	40	FGEB	
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3cccc(Cl)c3)cnc12	2221003	BJABJGQRSXEIJM-ZVBGSRNCSA-N	352.781	3.422	30	40	FGEB	
O=C(CCNC(=O)c1ccco1)Nc1cccc(C#Cc2ccccc2)c1	12748340	FBPDEDDCXFRVPH-UHFFFAOYSA-N	358.397	3.438	30	40	FGEB	
COc1ccccc1-c1n[nH]c(/N=C(\O)COCCOc2ccccc2)n1	48366945	DDHQHDMOTQJVAR-UHFFFAOYSA-N	368.393	3.164	30	40	FGEB	
N#Cc1ccc(OC[C@@H](O)CNCC2(N3CCCCC3)CCCCC2)cc1	39935257	STXKZTUSPUIUHY-FQEVSTJZSA-N	371.525	3.076	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2	4436192	SJCRULUBVITFLK-INIZCTEOSA-N	356.451	3.421	30	40	FGEB	
CCc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	4964237	HCGJRMHORVNHIS-HMMYKYKNSA-N	358.463	3.021	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)Cn2ccc3ccccc32)cc1OC	95367709	IBBFVFWDTIKWDJ-UHFFFAOYSA-N	374.418	3.004	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl	20455059	TUTVAJQTIWRNTL-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)N1C	408930248	UQNMXLHJRNTQPH-CRQMPAQMSA-N	356.403	3.485	30	40	FGEB	
COCc1cc(C)nc(Sc2ccc([N+](=O)[O-])c3nonc23)c1C#N	408605926	NNYRYXAIGDOSOA-UHFFFAOYSA-N	357.351	3.004	30	40	FGEB	
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(F)cc2)S1	409091338	PNIQYTDSOFFMGG-RAXLEYEMSA-N	363.410	3.174	30	40	FGEB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)c(OC)c1	408736687	FLPQFAPTUYTCNO-YPKZHZFPSA-N	366.417	3.388	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1	225921740	OFGRKLVYGIGTJV-UHFFFAOYSA-N	360.435	3.398	30	40	FGEB	
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224744965	RNLPLEJGCSNYBX-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
CC(C)c1ccc2c(c1)/C(=N/Nc1ccccn1)C(=O)N2C1CSC1	223729532	LALVBOBLAISWGQ-PYCFMQQDSA-N	352.463	3.483	30	40	FGEB	
CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c1	333805397	FFBGKISBWYFNOK-IBGZPJMESA-N	360.461	3.249	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1	795004	VPGFXBBLAOOTDO-YOEHRIQHSA-N	371.364	3.176	30	40	FGEB	
CCCN1C(=O)/C(=N\OCC(=O)NCCC2=CCCCC2)c2ccccc21	2660356	NRROQYAZJMURHC-ATJXCDBQSA-N	369.465	3.171	30	40	FGEB	
CC(=O)c1cc(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)nc1C	32741629	HOTPJYFXVYOGKF-KRWDZBQOSA-N	353.447	3.386	30	40	FGEB	
O=C(O)COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1	21629958	CENWDCCPEMPUNQ-DHZHZOJOSA-N	365.385	3.173	30	40	FGEB	
COc1cc(/C=N/N=C2\NC(C)(C)Cc3ccccc32)cc(OC)c1OC	821600	ORQSLBMHSOZUHL-LPYMAVHISA-N	367.449	3.417	30	40	FGEB	
Cc1nc(OCC(=O)Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2	13691113	QSAHHLDWHCZIRA-UHFFFAOYSA-N	351.406	3.131	30	40	FGEB	
C#CCN(C[C@@H]1CCCO1)C(=O)NCc1cccc(COC2CCCC2)c1	72278037	LWTNDBOADAHLRA-NRFANRHFSA-N	370.493	3.470	30	40	FGEB	
C#CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1	409123394	GCQIYLMTMPSUOE-LGMDPLHJSA-N	362.410	3.099	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1	218455070	ICBYPOBNMXLKFT-GBESFXJTSA-N	359.422	3.230	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225652719	DVSCMVJEOFTSTM-OKZBNKHCSA-N	361.850	3.090	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)ns1	42090771	SZHWDVYBTRKXRT-LBPRGKRZSA-N	350.403	3.483	30	40	FGEB	
N#CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21	2204091	YQHJOHDNFYRPOO-CHHLAKQQSA-N	360.413	3.197	30	40	FGEB	
C#CCOc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1	6295395	UDVJHULNCXVVBO-KRWDZBQOSA-N	368.483	3.065	30	40	FGEB	
CC1=CC(=O)/C(=C/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1	102919353	LZYARKAWIVHQAT-GHXNOFRVSA-N	357.347	3.044	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(Cl)c1	102503172	NYARGEOPGCWOHT-HVESIFNPSA-N	371.820	3.408	30	40	FGEB	
OC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103540411	OUDRUNXDQLDNNJ-UHFFFAOYSA-N	366.073	3.036	30	40	FGEB	
O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1cccc(Cl)c1	1393082	VVDANDBNRWALBQ-FOWTUZBSSA-N	355.824	3.140	30	40	FGEB	
CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C#N)cc1	58354715	AJNRCMCQBGAKIU-FQEVSTJZSA-N	361.445	3.496	30	40	FGEB	
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1	4331394	OROYDZBKYQRJNR-ZDUSSCGKSA-N	367.478	3.376	30	40	FGEB	
Cn1cc(C#N)cc1C(=O)O[C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C	96013355	RJVFAALGHGEHCV-HOCLYGCPSA-N	361.442	3.280	30	40	FGEB	
COc1ccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)cc1	225843088	ZIGZSFGICGJBIB-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
O=S(=O)(O[C@H]1CCC[C@H]2CC[C@@H]1O2)c1ccc(Br)cc1	43761612	IZAVBPZBIXFOJK-UBHSHLNASA-N	361.257	3.255	30	40	FGEB	
O=C1/C(=C/c2cccc(Cl)c2)Oc2c1ccc(O)c2CN1CCOCC1	2342213	TWXJANVUWUANHD-WQRHYEAKSA-N	371.820	3.494	30	40	FGEB	
CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	4331856	IVLGKJIHODPOHY-OAHLLOKOSA-N	358.438	3.362	30	40	FGEB	
CCOC(=O)COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1	4339906	ZALHQBDWDQVGFS-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
CCN(Cc1ccc(C#N)cc1F)C(=O)c1ccc(-c2ccco2)[nH]c1=O	65733490	NNXXZJUEZAXTJD-UHFFFAOYSA-N	365.364	3.308	30	40	FGEB	
O=[N+]([O-])c1cc2c(cc1/C=N/Nc1ncc(Cl)cc1Cl)OCO2	6530403	MIGKQTDYNCISPG-HAVNEIBRSA-N	355.137	3.471	30	40	FGEB	
CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1	5923946	ZJYLZTGTADHXNG-AWEZNQCLSA-N	368.462	3.232	30	40	FGEB	
CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1	95953428	XUXIUFMAEZMUJB-UHFFFAOYSA-N	360.460	3.348	30	40	FGEB	
C=CCNC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1	408976458	RBJVYQSRUUDQFB-UHFFFAOYSA-N	363.398	3.013	30	40	FGEB	
Cc1ccc(C)c(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408743062	YYWSLTRHGZHGDC-PZUDMAOCSA-N	351.431	3.070	30	40	FGEB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	216774800	RLHQPVZQCCQNRX-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
C[C@@H]1C(C#N)(C#N)[C@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@H]2C[C@@H]1C2(C)C	217586147	AFQQUICKZPLXEB-DYMRZLFOSA-N	350.422	3.281	30	40	FGEB	
C=CCNC(=S)Nc1ncc(Br)cc1Br	223917981	ITXPMUQZLBRVRY-UHFFFAOYSA-N	351.067	3.079	30	40	FGEB	
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225037720	VJZGJZXAIPRVIC-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
COCCCn1c(C)cc(C(=O)COc2ccc(C#N)cc2OC)c1C	4494079	PTGIASZOCQCZRP-UHFFFAOYSA-N	356.422	3.283	30	40	FGEB	
Cc1ncnc(N(C)CC2CCN(Cc3ccc(C#N)cc3)CC2)c1F	1888876149	PNBGDGOCKZWOAC-UHFFFAOYSA-N	353.445	3.144	30	40	FGEB	
COc1ccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1	4198930	ZPXPMXLZTDRJBW-SMOSDQRPSA-N	362.389	3.204	30	40	FGEB	
Cc1cc(C)nc(/N=C2\N=C(O)C[C@@H](C(=O)O)N2c2ccc(Cl)cc2)n1	1858675	IILKPIHXGVQMCR-ZDUSSCGKSA-N	373.800	3.054	30	40	FGEB	
COc1ccc([C@@H](C(C#N)C#N)[C@H]2C(=O)N(Cc3ccccc3)N=C2C)cc1	100564433	ZGSADVBBLAYEOQ-SFTDATJTSA-N	372.428	3.477	30	40	FGEB	
N#C[C@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	107335052	KHXXHIAKMMJUER-CDGCEXEKSA-N	367.474	3.476	30	40	FGEB	
CC(C)Oc1ccc(C#N)cc1NCC(=O)NC1(C#N)CCCCCC1	58357922	QRUQCLUVJMKGNZ-UHFFFAOYSA-N	354.454	3.490	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@H]1c1ccc(Cl)cc1	4125297	XZWKQFUHPAMTMW-INIZCTEOSA-N	365.813	3.269	30	40	FGEB	
N#Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	6587561	QNEKUXMELYGOFA-UHFFFAOYSA-N	373.503	3.420	30	40	FGEB	
C=CCN(CC=C)C(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1	14897790	NHJOUOCPFGLUTP-JXMROGBWSA-N	358.442	3.407	30	40	FGEB	
Cc1cc(C)nc(N/N=C/c2ccccc2I)n1	5785612	BPLPIQASRUTXHK-OVCLIPMQSA-N	352.179	3.144	30	40	FGEB	
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	18197394	SFHISNZNWYEXLH-XIKOKIGWSA-N	364.430	3.461	30	40	FGEB	
C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1	7361672	RXDUMBJPLLVVLB-ZDUSSCGKSA-N	357.479	3.294	30	40	FGEB	
C#Cc1cccc(NC(=S)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1	72284618	RNDPPFFEFMHPSH-HXUWFJFHSA-N	360.486	3.075	30	40	FGEB	
CCCOc1ccc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc1	89960298	TVBDMRJALWTKIF-OAQYLSRUSA-N	363.417	3.314	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1	408703514	UEMQXCSIMQUUSL-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
C=CCc1cc(C(=O)NCc2ccc(OC)c(OC)c2OC)ccc1OC	218654156	WITHMJZWZQECCF-UHFFFAOYSA-N	371.433	3.380	30	40	FGEB	
COc1ccccc1COc1nn(Cc2cccc(F)c2)c(N)c1C#N	225842262	OYSYYHGRWLXSDG-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OC(F)F	8470969	UWVSPFXCGTWWIN-BLLMUTORSA-N	368.287	3.078	30	40	FGEB	
CC[C@@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O	2035532	JWGFSVXRBPUQLO-FQEVSTJZSA-N	351.406	3.437	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(OCC)c(OCC)cc1Br	107890507	LPJYTWKQTLYENV-RQZCQDPDSA-N	374.304	3.064	30	40	FGEB	
CC(C)c1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1	27515448	OHQOMMVUKMLLCJ-NBVRZTHBSA-N	368.506	3.312	30	40	FGEB	
N#Cc1c(/C=C/c2cccs2)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O	409205706	SJOIHIZTVZLTRD-BQYQJAHWSA-N	367.361	3.173	30	40	FGEB	
COc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2N2CCOCC2)c1	4138290	LNADBKNTFFQMMU-PYCFMQQDSA-N	364.401	3.223	30	40	FGEB	
CCOc1ccccc1-n1nnnc1S[C@H](C#N)Cc1ccccc1	6849770	XDUVAPPLPXQDBH-HNNXBMFYSA-N	351.435	3.288	30	40	FGEB	
CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2	19418254	GVMSOKBIAAQMTR-UHFFFAOYSA-N	361.511	3.389	30	40	FGEB	
C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)CC)sc3C)cc21	19820207	VOYQIAVPNFZPEV-UHFFFAOYSA-N	357.435	3.378	30	40	FGEB	
C=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	95964337	FWDQCFVQZJPUDC-LLVKDONJSA-N	363.266	3.200	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(C)c(C)c3)C(=O)NC2=S)cc1	408759616	IAOPYZZWODNDRU-BYINCCNUSA-N	365.458	3.378	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccsc1	40110538	SSLBCMZCGIVNNA-QGZVFWFLSA-N	355.463	3.221	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)s1	137757618	BSVLUFIPBDZJNC-JVKKEGOWSA-N	350.381	3.020	30	40	FGEB	
N#Cc1cccc(N[C@@H]2CO[C@@]3(CCCN(Cc4cccs4)C3)C2)n1	96048303	ABTTVIFUXPHNSH-LPHOPBHVSA-N	354.479	3.250	30	40	FGEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)cc1	102799550	UJLWEAYPNNGYSY-IBOXJLQUSA-N	357.793	3.400	30	40	FGEB	
O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(F)cc2)S1	12376500	PTRQTCVWTXEJEW-ZJYNUGOYSA-N	358.394	3.432	30	40	FGEB	
C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(Cl)cc2)c1	47194409	UMAYEATXONFSRX-UHFFFAOYSA-N	354.837	3.351	30	40	FGEB	
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(OCc3ccccc3)c1)[C@H]1C=C[C@H]2C1	409146585	UFDCDUWCXDCIJY-DRQMCJFHSA-N	372.424	3.407	30	40	FGEB	
N#C[C@@H](NC(=O)Cn1ncc2ccccc21)c1ccc(OC(F)(F)F)cc1	530877156	GPRPKNFCFNRBTM-OAHLLOKOSA-N	374.322	3.316	30	40	FGEB	
Cc1ccc(/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408761044	GVUHNCIMRNJOOQ-IWEBCOIVSA-N	351.431	3.070	30	40	FGEB	
COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc([N+](=O)[O-])c1O	44395744	BPVCYQRXQMVNQQ-KPSZGOFPSA-N	356.260	3.169	30	40	FGEB	
C=CCn1ncc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1C	12344940	RLRKAIZPOGNLLY-RLAPIPATSA-N	367.493	3.401	30	40	FGEB	
CSc1ncc(C)c(OCC2CCN(c3ncccc3C#N)CC2)n1	1888869648	CZPXGJSKSFGCAF-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
Cc1ccc2ccccc2c1CO/N=C(/c1nonc1N)N1CCCCC1	1065584	CEHPOUSJOLMGHF-GFMRDNFCSA-N	365.437	3.478	30	40	FGEB	
Cc1cc(C(C)(C)C)cc(C)c1Cn1c(=O)c(C#N)cn(C2CC2)c1=O	29750023	IVNLFNWWPJTMLG-UHFFFAOYSA-N	351.450	3.179	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1ccc(Cl)c(N)c1)c1ccccc1	3273308	DGZWDMKVPUKCRZ-UHFFFAOYSA-N	357.797	3.026	30	40	FGEB	
C[C@H]1CN(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)C[C@H](C)O1	3346329	OXPAIIITVXIOPY-HOTGVXAUSA-N	350.418	3.240	30	40	FGEB	
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C	3468894	DNUIPBFXODLHCZ-UHFFFAOYSA-N	365.458	3.088	30	40	FGEB	
Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408537794	XHYJKAUFJAOEJV-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	252516186	QLWPPTGRGHFDHC-VAMGGRTRSA-N	355.459	3.481	30	40	FGEB	
N#Cc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)cc1	1549163061	YFZNHIAIGCLKRY-UHFFFAOYSA-N	361.445	3.257	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1	12327244	DUDYAGIHTMBIRZ-UHFFFAOYSA-N	366.446	3.459	30	40	FGEB	
O=C(/C=C/N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(F)cc1	17778428	HSOMWWVCKCXUDM-QZEKMECESA-N	352.365	3.289	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2C2CCCCC2)cc1	4537412	FKLRTWVOVHTCKU-BZSIDJSBSA-N	366.508	3.336	30	40	FGEB	
CCOC(=O)C1CCN(c2c(C#N)cnc3ccc(OCC)cc23)CC1	16841790	CAIAQAFQLWDJQJ-UHFFFAOYSA-N	353.422	3.285	30	40	FGEB	
CN(c1ncc(Cl)cn1)C1CCN(c2ncc(C#N)cc2Cl)CC1	1889091501	BNJBUASETUJNOF-UHFFFAOYSA-N	363.252	3.155	30	40	FGEB	
O=C1N[C@@H](c2ccccc2)C(C(=O)c2ccc(Br)cc2)=C1O	6813943	IQYJCOUUNWMGNH-AWEZNQCLSA-N	358.191	3.315	30	40	FGEB	
C=CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc2c(s1)CCCC2	7981046	IVBNYUHDHQKEAD-CQSZACIVSA-N	373.522	3.332	30	40	FGEB	
Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1	3190584	JLLCYNCQROAMOB-UHFFFAOYSA-N	353.209	3.430	30	40	FGEB	
COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c1	8058915	DJZVBWCWNIZBIC-GOSISDBHSA-N	372.446	3.101	30	40	FGEB	
COc1ccc(Nc2nc(Cl)c(/C=N/N3CCOCC3)s2)cc1	8012606	NEJDQXCHRYWSBP-LICLKQGHSA-N	352.847	3.215	30	40	FGEB	
C=C(C)Cn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3	985758	MWAXIPXIPWEVTB-UHFFFAOYSA-N	364.492	3.178	30	40	FGEB	
COc1ccc(C#N)cc1NC(=O)c1ccccc1S(=O)(=O)C(C)C	58244303	KVPXKZQYWIXWCQ-UHFFFAOYSA-N	358.419	3.001	30	40	FGEB	
Cn1c(C2=C(N)N(c3ccc(F)c(Cl)c3)CC2=O)nc2ccccc21	5182962	XDRKGWDYDYDNDZ-UHFFFAOYSA-N	356.788	3.082	30	40	FGEB	
C#CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c1	33399214	ZLYWRPFGOCQURR-LGMDPLHJSA-N	362.410	3.370	30	40	FGEB	
CCn1ncc(/C=N/Nc2nc(-c3ccco3)cc(C(F)F)n2)c1F	225391053	SIVMBGHYAJUDOZ-FBCYGCLPSA-N	350.304	3.476	30	40	FGEB	
N#Cc1ccc(N2C[C@@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)cc1	96238829	VUGJOIDTXZTGBD-NRFANRHFSA-N	366.465	3.029	30	40	FGEB	
COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C#N)cc1Cl	7858153	CGHLTIGBYVWMHN-UHFFFAOYSA-N	373.796	3.196	30	40	FGEB	
COc1ccc2nc(SCC(=O)Nc3nnc(C)s3)c(C#N)cc2c1	4857486	AQZIAJZIHHYISX-UHFFFAOYSA-N	371.447	3.006	30	40	FGEB	
CCOC(=O)C(=O)/C=C/[C@@H]1[C@@H](NC(=O)OCc2ccccc2)C=CC[C@H]1C	6891627	DSVLISNTLNSKSI-SUQHKGPZSA-N	371.433	3.182	30	40	FGEB	
N#C[C@@H](C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2o1	41543630	ISEYWBVSPJBBHV-INIZCTEOSA-N	359.385	3.374	30	40	FGEB	
COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	915121	QDZHCCJNHXDHAJ-KRWDZBQOSA-N	374.437	3.052	30	40	FGEB	
Cc1ccc(/C=C/C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)s1	12745265	WBYWVZPZTRUPIV-YXBWYFRISA-N	351.475	3.479	30	40	FGEB	
N#Cc1cccc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)c1	12927155	DFWLISZCQDNYGJ-UHFFFAOYSA-N	359.385	3.432	30	40	FGEB	
CCOc1ccc2c(c1)O/C(=C\c1ccccc1OS(C)(=O)=O)C2=O	4478781	HSNKMHUWLDWLTK-YVLHZVERSA-N	360.387	3.040	30	40	FGEB	
Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC1(C#N)CCCCC1	5538477	MMULTXDVAWGTLN-UHFFFAOYSA-N	367.405	3.150	30	40	FGEB	
C#CCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21	4784650	NMYUZJRTFPJWHD-ZUOKHONESA-N	353.805	3.026	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@H]2NC[C@H](C(=O)O)S2)c2ccccc21	408979508	RFLYFXKQCVNJQT-MOPGFXCFSA-N	363.442	3.349	30	40	FGEB	
CCOc1ccc(/C=N/O[C@H](C)C(=O)N(C(C)C)C(C)C)cc1OC	15367528	DOKBVNCIVPXQTL-RVZJCZPVSA-N	350.459	3.478	30	40	FGEB	
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	224762058	ZYOVXARLBXQLBV-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
CC(C)Nc1nc2c(c(NC3CC3)n1)CN(Cc1cccc(C#N)c1)CC2	96254161	MBLWLCABOJFSQL-UHFFFAOYSA-N	362.481	3.301	30	40	FGEB	
C=CCOc1ccccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1	12147432	ONPAJOWNENLDNB-UHFFFAOYSA-N	351.410	3.244	30	40	FGEB	
Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	100138592	DHVJHMMNSYCOHN-ZWAQGKOVSA-N	352.434	3.420	30	40	FGEB	
O=C1c2ccccc2N[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1O	653745	VAOIFTOPOPMJKT-QGZVFWFLSA-N	350.334	3.341	30	40	FGEB	
Cc1cccnc1NC(=O)[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1	58184683	WZEKGCABXQKSCP-AWEZNQCLSA-N	356.376	3.395	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O	409140429	DOAFPQRDLFINMD-YRNVUSSQSA-N	371.618	3.190	30	40	FGEB	
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2	2363115	QNAFOLQACQIEHA-LLVKDONJSA-N	360.841	3.366	30	40	FGEB	
C=CCc1cccc(/C=N/n2cnc3c([nH]c4cc(OC)ccc43)c2=O)c1O	2396947	IJGGONZQQLPUMH-FOKLQQMPSA-N	374.400	3.203	30	40	FGEB	
CN1CCCc2cc(CNC(=O)CSCc3ccc(C#N)cc3)ccc21	58769770	VLVYDTYSOBYXTO-UHFFFAOYSA-N	365.502	3.490	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O	4694625	LXXKMGFQJOTDEL-BJMVGYQFSA-N	372.627	3.478	30	40	FGEB	
CCCCS(=O)(=O)c1nnc(/N=C(\O)c2ccccc2OCC)s1	27664384	HIMSCTSYDWVXDX-UHFFFAOYSA-N	369.468	3.147	30	40	FGEB	
Cc1ccccc1N=C[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408533276	JUEJUZRFJZCHPW-AWEZNQCLSA-N	355.781	3.250	30	40	FGEB	
COc1cc(/N=C2\N=C(O)S\C2=C/c2cnn(C)c2C)cc(OC)c1	72400977	KMWPTOIENCOXAP-WCSRMQSCSA-N	358.423	3.478	30	40	FGEB	
O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1CN1CCOCC1	33380572	CHRYYRGKVOLNIF-UZYVYHOESA-N	355.825	3.097	30	40	FGEB	
N#Cc1cccc(N[C@@H]2CO[C@]3(CCCN(Cc4cccs4)C3)C2)n1	96048301	ABTTVIFUXPHNSH-QFBILLFUSA-N	354.479	3.250	30	40	FGEB	
C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)N=N1	1775988818	KSXZBWYURWSVKW-CEXWTWQISA-N	351.450	3.373	30	40	FGEB	
C[C@H]1c2ncc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N	585098717	XWCMSQIISIKGHN-INIZCTEOSA-N	350.466	3.301	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1	13590392	NNGBVDMCFAWBHN-JWYAOZQWSA-N	363.461	3.064	30	40	FGEB	
COc1ccccc1/C=N/N=C1/SCC(=O)N1Cc1ccc(F)cc1	2356954	JRZIVWUYEBPPNJ-GSTIJIFKSA-N	357.410	3.300	30	40	FGEB	
O=C(O)COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	2486823	BQIFEZVMMQAYNX-UHFFFAOYSA-N	368.385	3.278	30	40	FGEB	
COc1cc(/C=N/Nc2ccccc2C(=O)O)cc(Br)c1O	11903697	RGVVOMRWXOPHML-CAOOACKPSA-N	365.183	3.308	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)OCc3ccccc3)c3n2CCC3)cc1	27299938	BKYRUCLNPLERJF-UHFFFAOYSA-N	363.437	3.141	30	40	FGEB	
N#C[C@@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1	2307542	NKIVOSNKOKGQNL-QGZVFWFLSA-N	371.444	3.154	30	40	FGEB	
N#Cc1c(/C=C/c2ccccc2)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O	409205040	FSFFKWNXDZYKRA-IZZDOVSWSA-N	361.332	3.112	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1	408601415	AUOZBKWWXRPQKS-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1	218441491	GTCSQDMZECGCNI-HOTGVXAUSA-N	360.797	3.452	30	40	FGEB	
CCC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	100162983	ROSACZVAPBIXQQ-FYPAKXHLSA-N	358.438	3.092	30	40	FGEB	
CCN1C(=O)/C(=N/NC2=C(C)[C@@H](C)[C@H](c3ccccc3)C2=O)SC1=S	1554504446	TTYJKNPDIUVSHB-QRFZMTEPSA-N	373.503	3.046	30	40	FGEB	
CCOc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccc(F)cc3)N2)cc1	987725	CMEHVKKHIIWWKI-INIZCTEOSA-N	370.384	3.169	30	40	FGEB	
CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1	4473651	JSUCJIRFTDSTHU-BAOKRACBSA-N	357.410	3.416	30	40	FGEB	
O=C(OCC#CCSc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4689506	PHMOOJIHKXPMDB-UHFFFAOYSA-N	372.358	3.456	30	40	FGEB	
N#Cc1cccnc1N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1	69842432	IWEFUFMFFRNYMC-INIZCTEOSA-N	358.405	3.172	30	40	FGEB	
Oc1cc(O)c(/C=N/N=c2/[nH]c3ccccc3s2)cc1Br	15018844	DTMVKJBOEWMLOR-FRKPEAEDSA-N	364.224	3.338	30	40	FGEB	
C#CCNC(=O)CSc1nnc(Nc2ccccc2C(F)(F)F)s1	7078514	FYNGFEOTRTVWGU-UHFFFAOYSA-N	372.397	3.142	30	40	FGEB	
C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@@H](C(C)=O)C(=O)N2c1ccc(C)cc1	15321207	VWGVBEZKZHABEQ-HKBOAZHASA-N	361.445	3.360	30	40	FGEB	
CCOc1ccc(CN(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1	79098228	HBBODFSTVSWWET-UHFFFAOYSA-N	366.389	3.056	30	40	FGEB	
CN1C(=O)c2ccc(/N=C/c3cc(Br)ccc3O)cc2C1=O	2774626	OCVUEMJXDWHDOA-QGMBQPNBSA-N	359.179	3.131	30	40	FGEB	
CC(C)CCNC(=O)CO/N=C/c1ccc(OCc2ccccn2)cc1	40119638	QQNJWKSFMJWVPU-YDZHTSKRSA-N	355.438	3.173	30	40	FGEB	
COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1OC	1026211	FUCKKIBGOGIYKT-UHFFFAOYSA-N	357.435	3.318	30	40	FGEB	
CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1	4701621	SEINSAZTXVKLES-ZRGSNEMSSA-N	369.373	3.333	30	40	FGEB	
COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2nccn2C)c1	21901646	SKRFUYOVWJFXRF-GOSISDBHSA-N	363.377	3.410	30	40	FGEB	
C=CCN(c1ccc(C(=O)Nc2ccc(CC)cc2)cc1)S(C)(=O)=O	113936543	AMCVHLMRSCRWCX-UHFFFAOYSA-N	358.463	3.453	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1	1811044	CJMKVOORYRSKTA-NWRYFCBHSA-N	351.453	3.148	30	40	FGEB	
CCn1c(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)nc2ccccc21	48236579	FGYGZJGXDREMOH-UHFFFAOYSA-N	374.448	3.178	30	40	FGEB	
CN(CCC#N)C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1	6497477	ROHHBQKPUWXRCX-UHFFFAOYSA-N	370.265	3.243	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(Cl)cc2)C1=O	409090728	OARRBZVCQUCQCC-XFXZXTDPSA-N	365.838	3.298	30	40	FGEB	
COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1	32116953	ZQIFWQNJWFBIEK-CXUHLZMHSA-N	354.387	3.316	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)c1	1775996298	RJBQNEFAECRJFG-KRWDZBQOSA-N	369.852	3.467	30	40	FGEB	
COc1cc2c(B3OC(C)(C)C(C)(C)O3)cn(C(=O)OC(C)(C)C)c2cn1	953043996	PVLZNFXELHFHHO-UHFFFAOYSA-N	374.246	3.127	30	40	FGEB	
CC#CC[C@H](C)[C@H](O)/C=C/[C]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)O)C[C@H]12	1560411631	WMNZZUBKDHBDBR-IFIKQMMOSA-N	359.486	3.500	30	40	FGEB	
Cc1nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c(C)c1C	100084488	NXIFNXDCCWDSJE-MRXNPFEDSA-N	351.431	3.303	30	40	FGEB	
C=CCOC(=O)c1ccc(N2CCN(c3cc(C)ccc3C)CC2)nc1	20404851	AHAZWXSGFIRLST-UHFFFAOYSA-N	351.450	3.368	30	40	FGEB	
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1	6870401	LATJFKVHOLHUKM-YBEGLDIGSA-N	356.403	3.388	30	40	FGEB	
COc1ccc([C@H](C)NC(=O)N2CCC(C#N)CC2)cc1Br	57989752	SGZUVDMHVAVYRK-NSHDSACASA-N	366.259	3.464	30	40	FGEB	
N#Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1	58190594	KRUYKVGIPTVNMQ-INIZCTEOSA-N	354.454	3.251	30	40	FGEB	
COc1ccc(/C=C/c2nc(C#N)c(NC[C@@H]3CCCO3)o2)cc1OC	8493403	IGPAIJWQLPRAEL-OWNNVSBGSA-N	355.394	3.325	30	40	FGEB	
COc1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)cc1[N+](=O)[O-]	6510530	KADHKZYPERUHEC-UHFFFAOYSA-N	374.784	3.488	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccc(OCC#N)c(OCC)c2)SC1=S	4699222	IBMKPHUIKXTAEK-RVDMUPIBSA-N	360.460	3.375	30	40	FGEB	
O=C(C[N+]12CCN(CC1)CC2)Nc1cc(Cl)ccc1Oc1ccccc1	6648930	LLRLWULZNDYTPT-UHFFFAOYSA-O	372.876	3.217	30	40	FGEB	
C[C@@H]1CCc2cc(F)cc3c(=O)c(/C(O)=N/Cc4ccncc4)c(O)n1c23	5695644	CYUHTQDWLGHZCB-LLVKDONJSA-N	367.380	3.253	30	40	FGEB	
COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C#N)c1OC	7266569	HHIUNIDPTOPCCF-AWEZNQCLSA-N	353.422	3.034	30	40	FGEB	
N#Cc1ccc(N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)nc1	95999550	VQLDECLVWJCAIG-MRXNPFEDSA-N	364.453	3.189	30	40	FGEB	
CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1	38755281	XNVRAMCRQSHAGX-UHFFFAOYSA-N	363.826	3.030	30	40	FGEB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	216768960	WNWDYIGGQJUREG-NRFANRHFSA-N	359.433	3.296	30	40	FGEB	
Cc1ccc2nc(CO[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]3F)[nH]c2c1	96112302	YCVJDXVQRGWYOS-XLIONFOSSA-N	364.424	3.482	30	40	FGEB	biogenic,in-vitro
COc1ccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)cc1OC	5661838	PTYWZYFAINAPGZ-YBEGLDIGSA-N	356.403	3.301	30	40	FGEB	
CC1CC(C(=O)N2CCC[C@@]3(COCCN(c4cccc(C#N)c4)C3)C2)C1	1614933448	IERKTWQFCLWRNI-FQVRHNBASA-N	367.493	3.050	30	40	FGEB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	19315055	YBSHMAVZGUXDPG-IBGZPJMESA-N	369.417	3.335	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(F)cc2)no1	102804503	ZCUWFSBMYCPBBI-UYTDBDHRSA-N	368.320	3.341	30	40	FGEB	
CC[C@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	24193294	UKXBRWSNCNTNFD-GOSISDBHSA-N	362.477	3.480	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2F)cc1	1245498	ZCEMFOGCGNTKAV-GOSISDBHSA-N	368.364	3.273	30	40	FGEB	
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl	3246558	HBIVUBPDBUIOGK-UHFFFAOYSA-N	351.811	3.420	30	40	FGEB	
Cc1cc(OCC(=O)O/N=C(/N)c2ccccc2)ccc1Br	13133169	OKVWIFHYZGADDU-UHFFFAOYSA-N	363.211	3.000	30	40	FGEB	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1sccc1-n1cnnn1	65453456	VERXWFQYVXFEQQ-NSHDSACASA-N	370.463	3.228	30	40	FGEB	
C=CCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1	14135973	NXCJMIBFBVMBCC-UHFFFAOYSA-N	363.417	3.472	30	40	FGEB	
CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC	408748880	CLSYXEZYAXZXAK-LSCVHKIXSA-N	350.762	3.497	30	40	FGEB	
COc1ccc(OC)c(N/N=C\CCCN2C(=O)c3ccccc3C2=O)c1	33928951	PJAPXEYBXKRGRB-NHDPSOOVSA-N	367.405	3.178	30	40	FGEB	
C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1	1776007480	FTYMNZBAXCWWPI-ZBFHGGJFSA-N	370.258	3.020	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2	19959886	FBSXJLNPHRQVAO-ADLMAVQZSA-N	350.353	3.426	30	40	FGEB	
CC(=O)/C(=N/Nc1ccccc1C)Sc1nnnn1-c1ccc(C)cc1	100769350	QKHCETKJDPCUJZ-JZJYNLBNSA-N	366.450	3.386	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2c(F)cccc2Cl)n1	7778395	LAXZETHUXKANTQ-SECBINFHSA-N	352.774	3.277	30	40	FGEB	
CCCCNc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1	7827936	PWEOJYAGWLTUMT-SNVBAGLBSA-N	367.525	3.484	30	40	FGEB	
C=CCNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1	12552974	BPGIIYFGUVTWOR-UHFFFAOYSA-N	355.394	3.103	30	40	FGEB	
Cc1sc(NC(=O)CCCn2cnc3ccccc3c2=O)c(C#N)c1C	24692057	QJFUTZFCEPVIOX-UHFFFAOYSA-N	366.446	3.365	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)c1cccc(CN2CCCC2=O)c1	58197429	ZGWGUVPWBRWCTB-UHFFFAOYSA-N	360.457	3.393	30	40	FGEB	
Cc1ccccc1Nc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)s1	6784888	GVKRCIQDXTXMAU-QGZVFWFLSA-N	373.507	3.491	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(C)s2)C1=O	409082046	QXGZCRRXBOUYSC-FLIBITNWSA-N	351.449	3.014	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccco2)n(C[C@@H]2CCCO2)c1C	8734794	LOWKMSRQKFHSGZ-HOCLYGCPSA-N	370.453	3.038	30	40	FGEB	
CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1O[C@H](C)CC	409346790	OOXSMDCMWDLPAN-JWHLFPLYSA-N	352.481	3.457	30	40	FGEB	
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)[nH]1	409290015	JLOBVPCBJAGGEW-UHFFFAOYSA-N	359.227	3.295	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	218056289	WOPVTRZZWMQKRO-BZSNNMDCSA-N	361.850	3.436	30	40	FGEB	
Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(C#N)c2)cc1C	10642363	WISORMPHLYUMPR-UHFFFAOYSA-N	363.446	3.487	30	40	FGEB	
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(F)cc3)[C@@]12C#N	19874875	JHXWOSNCSXBZOP-FVQBIDKESA-N	360.483	3.474	30	40	FGEB	
Cc1cc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)on1	52009966	UIKLLBFBPVUZBF-QGZVFWFLSA-N	356.401	3.206	30	40	FGEB	
CC(=O)N[C@H](CC(=O)OCc1cn2ccccc2c1C#N)c1cccs1	32899170	KNSDBLGWMWYVHQ-MRXNPFEDSA-N	367.430	3.183	30	40	FGEB	
CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1F	52824620	QLVKOTRDHJDRIN-UHFFFAOYSA-N	356.357	3.066	30	40	FGEB	
N#C[C@@]12C3=NC(=N)[C@]1(C#N)[C@@H]1CCCC[C@]1(O3)O[C@H]2c1ccc(F)cc1	102865602	ONZVTWDZJYEHLS-CJBAZIHXSA-N	350.353	3.223	30	40	FGEB	
C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccc(C#N)cc1	9647695	PPNAUTBXKUPBBN-SECBINFHSA-N	355.448	3.264	30	40	FGEB	
C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1	69282112	XDIZSZRGMJUDCN-XJKSGUPXSA-N	363.435	3.069	30	40	FGEB	
O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O	6909163	UUWWCGZXBZCMPD-OMACXJQVSA-N	359.721	3.385	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cs1	7778375	QOMGZUBLXMMUPG-OAHLLOKOSA-N	371.462	3.092	30	40	FGEB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	216774850	RLHQPVZQCCQNRX-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCS	40397234	JWEOOQVOWKBJFG-UHFFFAOYSA-N	356.838	3.294	30	40	FGEB	
Cn1c([C@H](C#N)c2nc(Cl)ncc2Br)nc2ccccc21	5337982	WCDBCRJFWNTRSV-MRVPVSSYSA-N	362.618	3.435	30	40	FGEB	
Cc1c(/N=C\[C@@H]2CCCN3CCCC[C@H]23)c(=O)n(-c2ccccc2)n1C	5921257	SEXYFKGWMWZYHK-AFTMCHBNSA-N	352.482	3.451	30	40	FGEB	
Cc1nc(-c2ccc(Cl)cc2)nc(SCCN2CCOCC2)c1C#N	13655102	MKNNGYLJBZDHRZ-UHFFFAOYSA-N	374.897	3.401	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1	7275642	MDJZGXPENRXJDS-GDNBJRDFSA-N	355.375	3.495	30	40	FGEB	
Cc1c(Br)c(/C=N/NC(N)=S)c(C)n1-c1ccccc1	59104920	CIMOZFAKOYRCNQ-CAOOACKPSA-N	351.273	3.024	30	40	FGEB	
N#Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	12513690	JRLQEHXNSMJHMV-UHFFFAOYSA-N	350.378	3.322	30	40	FGEB	
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2C1=O	3293816	WNJJJCMCMLWNLZ-UHFFFAOYSA-N	361.401	3.453	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1	3290464	QQMGMWAVLGCQEZ-UHFFFAOYSA-N	350.193	3.422	30	40	FGEB	
C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	12981632	NXNGCCGSWBDWQT-SNVBAGLBSA-N	373.752	3.304	30	40	FGEB	
O=C1CC(c2ccccc2O)CC(=O)C1=C1OCCN1Cc1ccccc1	20800822	KOIZSJVJTBFYSS-UHFFFAOYSA-N	363.413	3.152	30	40	FGEB	
C#CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC	408940299	NRTQHIRLWCOSDX-QGOAFFKASA-N	374.396	3.149	30	40	FGEB	
CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O	9419028	NYMLCCZKMISKSL-NVNXTCNLSA-N	350.779	3.295	30	40	FGEB	
CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	409229170	KRIKHSNXKHMDMB-PXLXIMEGSA-N	368.433	3.459	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC3(C[C@H](OCC4CCCC4)CS3)C2)c1	575405720	ZKCCUVKGDIIWJH-SFHVURJKSA-N	356.491	3.465	30	40	FGEB	
N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@@H]2C1	2086868817	OFOYANNDAXYDJS-KBPBESRZSA-N	365.437	3.275	30	40	FGEB	
COC(=O)c1cc(/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	105368587	QILVRPAOVZKANL-YBFXNURJSA-N	356.334	3.309	30	40	FGEB	
CN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1	58147167	NNBNFAUNZSOKRG-UHFFFAOYSA-N	358.327	3.189	30	40	FGEB	
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(C#N)cc1	3378431	KJGIJKIEWXEKOK-KRWDZBQOSA-N	357.360	3.230	30	40	FGEB	
CCCCN1C(=O)c2ccc(C(=O)OCc3ccccc3C#N)cc2C1=O	3543190	QTULCIBLARIPSK-UHFFFAOYSA-N	362.385	3.311	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3[C@H]3O[C@]132	4084403	MTJYMMDGGCHXAK-KSMPXNHGSA-N	369.505	3.344	30	40	FGEB	biogenic
C=CCn1c(C)cc(C(=O)CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)c1C	14170496	DGGYAMHPBYQEOK-INIZCTEOSA-N	365.433	3.331	30	40	FGEB	
COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C1=O	19859124	JGIDGSZXJWEFGN-WOJGMQOQSA-N	350.418	3.363	30	40	FGEB	
COc1cc2c(c(OC)c1OC)CCN(c1nc(C)cc(C)c1C#N)CC2	610909422	KWOBVXDELKJVLQ-UHFFFAOYSA-N	367.449	3.201	30	40	FGEB	
COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccco1)N(C)CC3)OCO2	20112851	MJHXWNKZSIZNGU-JFDDCEBESA-N	355.390	3.219	30	40	FGEB	biogenic
C[C@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)C1	1355137	SPUWZADSORHLPU-LBPRGKRZSA-N	369.446	3.186	30	40	FGEB	
NS(=O)(=O)c1ccc(C(=O)/C=C/c2cc(Br)cs2)cc1	8986674	SQYMSVYYPAKHAQ-ZZXKWVIFSA-N	372.265	3.054	30	40	FGEB	
COC(=O)C12C3=C(/C(=N/O)C=C/C3=N/O)C(c3ccccc31)c1ccccc12	104138800	COGVHCBSLOMBFL-ZNLNQYBNSA-N	372.380	3.131	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1	1476202	GCZCXDYIEXPIKF-AWEZNQCLSA-N	361.825	3.440	30	40	FGEB	
CCOCCOc1c(Cl)cccc1NCC(=O)N[C@](C)(C#N)C(C)C	58184512	FDHGMLFLJIOSDL-GOSISDBHSA-N	367.877	3.222	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)O)ccc3C2=O)cc1OC	12885615	XQYKDGBFLDCEIC-HCGGYXKBSA-N	370.357	3.172	30	40	FGEB	biogenic
C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	4712946	HREPGTQTOXFPLC-DORSJAEJSA-N	368.418	3.149	30	40	FGEB	
CCC(CC)CN1CCOC[C@@]2(CC[C@H](CNc3ccc(C#N)cn3)O2)C1	306127264	FTLMQFYPWPGWTE-TZIWHRDSSA-N	372.513	3.051	30	40	FGEB	
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408719612	ZMZVQIFPQGRZRK-MRXNPFEDSA-N	357.391	3.237	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F	225953459	HFDZDZSBAJBCLY-UHFFFAOYSA-N	359.300	3.382	30	40	FGEB	
CC(=O)c1cn(C/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)c2ccccc12	95475767	CEMYFHWBQUTQDO-OAHLLOKOSA-N	353.382	3.102	30	40	FGEB	
CC1(C)OB([C@@H]2CCN(C(=O)NC3Cc4ccccc4C3)C2)OC1(C)C	1776007421	BENRZCTWBVGTEA-MRXNPFEDSA-N	356.275	3.032	30	40	FGEB	
CC(=O)O[C@]1(C)C=Cc2ccccc2/C1=N/S(=O)(=O)c1ccccc1	16955581	IYGVTMMSYMSKCH-LAFOYAEKSA-N	355.415	3.213	30	40	FGEB	
C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C4CC4)n3)cc21	19820201	GGYPHOURTZTLKV-UHFFFAOYSA-N	355.419	3.070	30	40	FGEB	
N#Cc1cccc(N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)n1	1889109981	IJCKFQKWVURKEG-WFASDCNBSA-N	359.355	3.082	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)nc1	32900714	BYLSTUBLYPXBTH-UHFFFAOYSA-N	357.417	3.357	30	40	FGEB	
C=CCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1ccncc1	1365699	YDJZBKIROJJECV-OAHLLOKOSA-N	369.387	3.149	30	40	FGEB	
Cc1n[nH]c(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)O)n1	6588316	HAGUYRNDYGWQEC-NVNXTCNLSA-N	352.375	3.463	30	40	FGEB	
CC[C@@]1(C)NC(=O)N(/N=C/C(Br)=C/c2ccccc2)C1=O	20934709	DMCGVMZJQZEXRZ-XOXKLNRQSA-N	350.216	3.129	30	40	FGEB	
CC[C@@H]1CO[C@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	34858413	VBTBVEARBLELLW-MGPQQGTHSA-N	361.511	3.182	30	40	FGEB	
CN(C)c1ccc(C(=O)OCC(=O)Nc2c(C#N)oc3ccccc23)cc1	3527794	RSRCZGWNADTXSH-UHFFFAOYSA-N	363.373	3.166	30	40	FGEB	
CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(-c2nnnn2CC)c1	96004337	BQLQKGZUNJKYDK-INIZCTEOSA-N	358.446	3.270	30	40	FGEB	
Cc1nnc(S)n1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408861846	DQMFXEDLEHZHLR-VCHYOVAHSA-N	369.406	3.245	30	40	FGEB	
CCOC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218372633	QLWPPTGRGHFDHC-AABGKKOBSA-N	355.459	3.481	30	40	FGEB	
N#Cc1cccc(C(=O)N[C@H]2CCCc3nc(-c4ccccn4)ncc32)c1	71195771	DHDWPUPGHOWKNK-SFHVURJKSA-N	355.401	3.218	30	40	FGEB	
C[C@@](C#N)(NC(=O)CSc1ncnc2sc3c(c12)CCC3)C1CC1	6112696	VFKJLTHTNXHSKK-KRWDZBQOSA-N	358.492	3.081	30	40	FGEB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)c1	222976967	MLQHQNWNCNMHGM-UHFFFAOYSA-N	358.419	3.060	30	40	FGEB	
COc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2ccc(F)c(F)c2)cc1	48634819	KGFQBQKFAORWRO-JTQLQIEISA-N	371.361	3.086	30	40	FGEB	
CC(C)(C)OC(=O)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2o1	201714085	YBQMLIMTOYLMIC-UHFFFAOYSA-N	360.219	3.474	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(F)cc1	2463630	LBGMOYSSTRWFTA-IAQYHMDHSA-N	360.410	3.204	30	40	FGEB	
O=S(=O)(/N=C(\O)CCc1ccccc1)c1ccc2c(c1)OCCCO2	42338900	IAZOIESCQXDPBK-UHFFFAOYSA-N	361.419	3.126	30	40	FGEB	
O=C(O/N=C1\C[C@@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1	1390616	DJDADXMOWFEWMK-LDNSXRENSA-N	358.297	3.026	30	40	FGEB	
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3cccnc23)C1=O	29846701	LCGAXKDSXYWWPN-OAQYLSRUSA-N	356.385	3.074	30	40	FGEB	
N#Cc1ccc(OCC(=O)Nc2nc(CN3CCCCC3)cs2)cc1	14524782	NGZRLCQCZJIDSO-UHFFFAOYSA-N	356.451	3.018	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccccc2)c(OC)c1	4943000	XSEYLIJLOPEIIA-UHFFFAOYSA-N	351.410	3.059	30	40	FGEB	
N#Cc1ccc(Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1	9668668	HLKRMDJYILFUDX-UHFFFAOYSA-N	357.413	3.366	30	40	FGEB	
N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)nc1	71890481	TYBYQEBWASIACX-IBGZPJMESA-N	352.482	3.351	30	40	FGEB	
CN(C)Cc1ccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1	89621000	IJVTUPOJPMJMJU-UHFFFAOYSA-N	351.450	3.094	30	40	FGEB	
O=C1C(=Cc2ccccc2OCC(=O)N2CCCC2)C(=O)c2ccccc21	408574931	GQOMSMZODVEHHH-UHFFFAOYSA-N	361.397	3.150	30	40	FGEB	
Cc1ccc(CN2C[C@H](OCc3nc4ccc(C#N)cc4[nH]3)[C@H](F)C2)cc1	96112289	DGCZCGAILSKXPA-XLIONFOSSA-N	364.424	3.482	30	40	FGEB	biogenic,in-vitro
C=CCN(C[C@H](O)c1ccc(O)c(C(N)=O)c1)[C@@H](C)CCc1ccccc1	5354306	RGMDPZQWHAFCIO-KKSFZXQISA-N	368.477	3.034	30	40	FGEB	
CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC(C)C)cc1	78547328	HOVBPYJLKUGFIZ-SFHVURJKSA-N	361.438	3.185	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1	22608296	KFWWBZXMTSHQML-MGPLVRAMSA-N	356.451	3.277	30	40	FGEB	
N#Cc1ccc(CN2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c(F)c1	2298200118	DHZFFFQACZHERF-INIZCTEOSA-N	365.399	3.167	30	40	FGEB	
N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCOCC1	20358339	IMMWGOVHDJYTIU-UHFFFAOYSA-N	362.433	3.034	30	40	FGEB	
CCOC(=O)c1cccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1	4959716	WKLSEJWRROZDJH-UHFFFAOYSA-N	369.446	3.478	30	40	FGEB	
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	21486993	UWZBZSSBLSTNKZ-MRXNPFEDSA-N	374.437	3.027	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F	102931825	YCOGFUPPPNZGJF-SELCWUDQSA-N	369.392	3.284	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccco1	625848	MECKIBCAFPOBAE-RHSMWYFYSA-N	371.364	3.176	30	40	FGEB	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C(=O)O1	3543713	IMSFEYJYADBFNB-VZOQVYJPSA-N	362.381	3.494	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)no1	6275840	ZOVIWNFXGXEEPL-HNNXBMFYSA-N	367.386	3.222	30	40	FGEB	
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1	14188696	XOLHSISAEXEENB-GOSISDBHSA-N	359.351	3.127	30	40	FGEB	
CC(C)Oc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1	5451793	VBQGARDXXOOOQX-MRXNPFEDSA-N	360.417	3.341	30	40	FGEB	
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	9088654	TXFTZALHYYOIAL-FOIQADDNSA-N	358.401	3.399	30	40	FGEB	
O=C(Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21)NC1CC1	409144097	NYELHVHOEHOSAX-UHFFFAOYSA-N	370.408	3.383	30	40	FGEB	
COCc1nc([C@@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)no1	95999056	STQSZLKEIAMJES-HNNXBMFYSA-N	355.398	3.237	30	40	FGEB	
N#Cc1cccc(C(=O)NC2(Cc3ccccc3Br)CC2)n1	590456421	UINWFTKQDXJMSE-UHFFFAOYSA-N	356.223	3.221	30	40	FGEB	
N#Cc1ccc(CSCC(=O)N2CCN(Cc3cccs3)CC2)cc1	47750142	YRFCXQQJIMVTMS-UHFFFAOYSA-N	371.531	3.197	30	40	FGEB	
CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1	24444583	WJJGTVKSWLCODS-UHFFFAOYSA-N	370.352	3.278	30	40	FGEB	
COc1ccc(Br)cc1CN(C)c1nnc(C)c(C)c1C#N	24053437	XMGMVDCFLDBFSW-UHFFFAOYSA-N	361.243	3.373	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1	3303761	FXRNVYPMRFNDFA-UHFFFAOYSA-N	359.385	3.338	30	40	FGEB	
COc1ccc(C/N=C(/S)N2CCN(Cc3ccccc3)CC2)cc1	13684827	SSULPWZLKFRUJO-UHFFFAOYSA-N	355.507	3.299	30	40	FGEB	
Cc1ccc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2ccccc2)cc1C	6205538	OKMAXISQJUYAQN-SFHVURJKSA-O	369.510	3.298	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1	67062528	IDPFQBNWLBCBKY-GOSISDBHSA-N	357.360	3.120	30	40	FGEB	
CC(C)(C)c1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	8708796	ZRDUXNWDACSUCD-UHFFFAOYSA-N	361.496	3.255	30	40	FGEB	
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(N3CCN(C)CC3)cc2)cc1	9157252	DEGBOGNTPPIBOQ-LFYBBSHMSA-N	363.461	3.293	30	40	FGEB	
CCCCCCCCCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2	408707819	RBHBSPSPWALXGZ-UHFFFAOYSA-N	362.470	3.288	30	40	FGEB	
C#CCN1CCC(C(=O)Nc2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)CC1	72290304	HVGLIRSAMVGXKE-UHFFFAOYSA-N	366.509	3.161	30	40	FGEB	
N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1	225486936	GVVIVEIGALEWJE-INIZCTEOSA-N	370.840	3.004	30	40	FGEB	
N/C(=N/OC(=O)C(Cl)=C(Cl)Cl)c1cc(Cl)nc(Cl)c1	4280513	XCGMEOHOVHDIGT-UHFFFAOYSA-N	363.415	3.437	30	40	FGEB	
Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(Br)cc2)cc1	102801462	OULOWYCPXIMUAZ-IDTYTIONSA-N	372.218	3.467	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccco1	5345656	BUSQRQUCDKPLJG-INIZCTEOSA-N	373.372	3.167	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)c(Cl)c2)[nH]n1	5595748	WWSQCCQXODVJEL-OMCISZLKSA-N	353.238	3.454	30	40	FGEB	
COc1cc([N+](=O)[O-])cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O	409106066	QEYCNYHOBIZNAQ-KPSZGOFPSA-N	356.260	3.169	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1cccc(Cl)c1N1CCOCC1	9906375	DMKIMDCAJAENNM-UHFFFAOYSA-N	371.824	3.066	30	40	FGEB	
C=C(Br)CN1C(=O)CCc2cc(SCCC(=O)O)ccc21	218813358	NFNYWHORSKYRCV-UHFFFAOYSA-N	370.268	3.441	30	40	FGEB	
N#Cc1ccccc1CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	47262141	DPFIJAYJGSCQAN-MRXNPFEDSA-N	354.841	3.457	30	40	FGEB	
C=CCNC(=S)Nc1ncc(Br)c(C)c1Br	223918897	ZCNJPFOCJYSCCY-UHFFFAOYSA-N	365.094	3.387	30	40	FGEB	
O=C(O)CC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	5340161	TUHZOEGNBYUDRX-LGMDPLHJSA-N	358.310	3.184	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccccc2F)cc1	4635135	AUINIVPAXSZKTM-ACJLOTCBSA-N	369.392	3.093	30	40	FGEB	
C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/c1nccs1	100060775	MUUMWLPTGSNQNL-QMNMNIGRSA-N	368.443	3.255	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)no1	1450313	QFBAIYYXDSVNNH-MRXNPFEDSA-N	350.330	3.359	30	40	FGEB	
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC#N)CC1	20546681	PNVYRSFUDYEKEO-UHFFFAOYSA-N	372.476	3.079	30	40	FGEB	
COc1ccc(N2C(=O)CC[C@@H](C(=O)OCC#N)[C@H]2c2ccccc2)cc1	21513482	PGDQFYRJEOZIQD-UYAOXDASSA-N	364.401	3.246	30	40	FGEB	
O=C(/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1)c1ccco1	101027817	AYXOSQQTHPSGCP-OBGWFSINSA-N	370.277	3.388	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)cc1	102883049	ROFUTBRDEBSCFQ-GHNGSUTGSA-N	351.402	3.063	30	40	FGEB	
CC(=O)Nc1cccc(NC(=O)CO/N=C(\C)c2sc(C)nc2C)c1	42116077	PZYHNQZTTSVEES-SRZZPIQSSA-N	360.439	3.098	30	40	FGEB	
C=CCOC(=O)c1nnc2c(-c3ccc(OC)cc3)c(CC)nn2c1C	20797706	AMTZANDWSCSKJP-UHFFFAOYSA-N	352.394	3.014	30	40	FGEB	
CCOc1ccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)cc1	57524817	ZGYBHIVDANTZOI-HNNXBMFYSA-N	354.406	3.423	30	40	FGEB	
CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O	58129474	NZMPUCVRIOIPII-NRFANRHFSA-N	358.401	3.168	30	40	FGEB	
COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	28461785	XMMNALAEFPAOOT-UHFFFAOYSA-N	355.799	3.051	30	40	FGEB	
N#Cc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1	12866838	DKPUIDDJOQQQCJ-UHFFFAOYSA-N	364.430	3.257	30	40	FGEB	
CSc1ncnc(Nc2cc(C(=O)Nc3ccon3)ccc2C)c1C#N	38214908	GKGQFXJQHMDITR-UHFFFAOYSA-N	366.406	3.363	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)n(-c2ccccc2)c1C	14077765	LCFBWMKPEHLJIV-GASCZTMLSA-N	366.465	3.014	30	40	FGEB	
C[C@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1cccc(C#N)c1	4890681	XZPRSPZSNKKBGS-LBPRGKRZSA-N	367.409	3.397	30	40	FGEB	
COc1cc2ccccc2cc1C(=O)OCC(=O)NC1(C#N)CCCCC1	7565228	VZXCMOLXOGEFKS-UHFFFAOYSA-N	366.417	3.348	30	40	FGEB	
Cn1cc(-c2cccc(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)c2)cn1	95453844	OXABWJLWUVTJIM-HSZRJFAPSA-N	371.488	3.297	30	40	FGEB	
CCc1n[nH]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1	95953383	XOILFHNMQIUZEY-LLVKDONJSA-N	361.496	3.492	30	40	FGEB	
N#C[C@H](c1nc2ccccc2s1)[C@H](c1ccccc1)N1NC(=O)CC1=N	137090147	KDYAKARYKLSQMC-UGSOOPFHSA-N	361.430	3.359	30	40	FGEB	
COc1ccc(/C=N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1	821966	QJDMPVSPFYBHSF-GIJQJNRQSA-N	358.195	3.233	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccc(C)cc1)C2	12250608	AZOYCSRCRWZTRD-UHFFFAOYSA-N	354.435	3.421	30	40	FGEB	
O=C(O)C[n+]1c(SCCOc2ccc(Cl)cc2)[nH]c2ccccc21	6112546	MCFBGFJBJVSYJM-UHFFFAOYSA-O	363.846	3.365	30	40	FGEB	
CCCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	3871839	PGGUOGKHUUUWAF-MSOLQXFVSA-N	362.470	3.201	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(F)cc2)n1	33325168	JVCHEWDBXNINDF-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
C/C(=N\Nc1nnc2c3ccccc3n(C)c2n1)c1cc([N+](=O)[O-])cs1	4619090	PYBDMGTZITVSAD-GIJQJNRQSA-N	367.394	3.322	30	40	FGEB	
C=CCn1c(SCOC(=O)c2ccccc2)nc2ccccc2c1=O	72312933	JXBAIZYGWSOFOI-UHFFFAOYSA-N	352.415	3.489	30	40	FGEB	
C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)NC1(C#N)CCCCC1	8939255	VHAMEQMFPVJDJH-LBPRGKRZSA-N	357.435	3.184	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@H](C[C@H](C)SCC)[C@@H](C(=O)OCC)C1=O	198729230	GDYKIPWWXDATPK-FQVPBGTPSA-N	369.527	3.129	30	40	FGEB	
CC1=NN[C@@H]2N[C@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@H]12	254873708	NWKTUUJCENYCME-SXLOBPIMSA-N	352.482	3.004	30	40	FGEB	
COc1ccc([C@@H](C)NC(=O)N2CCC(C#N)CC2)cc1Br	57989754	SGZUVDMHVAVYRK-LLVKDONJSA-N	366.259	3.464	30	40	FGEB	
CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)CC#N)cc2)cc1	58137746	FBKUFUUMIPNLNF-AWEZNQCLSA-N	360.435	3.458	30	40	FGEB	
CC(C)(C)C(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N	12794543	RQLWHHPTPXEPEJ-UHFFFAOYSA-N	368.462	3.495	30	40	FGEB	
COc1cccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c1	17195343	ODBFWDNWDHNEBT-NVNXTCNLSA-N	371.374	3.201	30	40	FGEB	
C(=N/Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)\c1ccncc1	5129583	OMYLXIJAQBARMC-PXLXIMEGSA-N	374.452	3.447	30	40	FGEB	
C#CCOc1ccc(/C=C2/S/C(=N\CC)N(CC)C2=O)cc1OCC	4704697	XTMKDJNDGMIDTJ-YWKYIXQJSA-N	358.463	3.409	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	7246640	SHIHKMIUWWBYKX-UHFFFAOYSA-N	359.769	3.416	30	40	FGEB	
N#Cc1ccccc1N1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	72313929	LEIAFKWGVNTZRP-UHFFFAOYSA-N	367.365	3.456	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccn2)n[nH]1	71834813	RRCQRDMVMZKZKC-UHFFFAOYSA-N	370.825	3.123	30	40	FGEB	
C[C@H](Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)C(=O)O	100223981	KKDOEYJWNUUQOA-HBBMIWKISA-N	354.406	3.126	30	40	FGEB	
CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1(C)C	47460770	AQAPCVIWQCEVEE-DOTOQJQBSA-N	368.481	3.311	30	40	FGEB	
O=S(=O)(/N=C(\O)CCc1nnc(-c2ccccc2)o1)C1CCCCC1	58072996	YZGBICBUGOMNGJ-UHFFFAOYSA-N	363.439	3.288	30	40	FGEB	
N#Cc1ccc(OCC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1	58193294	SWTMCHZNRCJUAC-QGZVFWFLSA-N	369.490	3.027	30	40	FGEB	
CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2	13757248	IVEAMNYPETXXJL-UHFFFAOYSA-N	360.527	3.058	30	40	FGEB	
COc1ccccc1/N=C1\C(=O)c2ccccc2C(O)=C1N1CCOCC1	4312733	RYAFIJZZEQLXGS-PYCFMQQDSA-N	364.401	3.223	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2)c(OC)c1	17886929	QGRLXFFKZSHHON-SFHVURJKSA-N	353.374	3.193	30	40	FGEB	
N#Cc1ccnc(N2CCN(Cc3ccc(Br)s3)CC2)c1	67386767	SVMZCXIFDYBEGX-UHFFFAOYSA-N	363.284	3.099	30	40	FGEB	
Cc1cc(C)cc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408740768	MHYKNUYANFKSGD-MBTVCVBTSA-N	351.431	3.070	30	40	FGEB	
CCOC(=O)CCC(CCC(=O)OCC)=NNc1ccc([N+](=O)[O-])cc1	35681986	MQGJYPRIXBBOCG-UHFFFAOYSA-N	365.386	3.049	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@@]1(C)O	253390391	BIGBTKXKWUHWLH-ARDVQGFVSA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
Cc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	17076597	MBBIBCFEDRREBN-AEFFLSMTSA-N	374.440	3.470	30	40	FGEB	
N#CCSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12	2968959	QFXWSDDBEPSYSF-UHFFFAOYSA-N	362.374	3.468	30	40	FGEB	
Cc1cc(C)n([C@H](CNC(=O)c2cccc(C#N)c2)c2ccsc2)n1	575613678	KBTNWBZWBLOEDA-GOSISDBHSA-N	350.447	3.453	30	40	FGEB	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ncc[nH]1)C1=C(CCCC1=O)O2	18196531	CCNAPFYXWUUFOA-LJQANCHMSA-N	360.417	3.494	30	40	FGEB	
COc1ccc(CCNC2=C(Cl)C(=O)c3ccccc3C2=O)cc1OC	100764858	KMLJJVDXMJPXCC-UHFFFAOYSA-N	371.820	3.366	30	40	FGEB	
C=C(C)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1	10432618	KUBYXQZRIHNMLV-UHFFFAOYSA-N	361.419	3.229	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)n(C[C@@H]2CCCO2)c1C	14118522	XYPGJFGWRVOHHU-DAYGRLMNSA-N	372.513	3.072	30	40	FGEB	
COc1cc(/C=N\N=C(\N)S)ccc1OC(=O)c1ccc(Cl)cc1	4514612	XBTZHDJDKPHCCH-OCKHKDLRSA-N	363.826	3.146	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)N1C	408929361	JBWBIPDCTXAQPO-YYWHJSAJSA-N	356.403	3.265	30	40	FGEB	
COCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(C#N)ccc1F	95946868	DLSQCPTZRBIVNU-UHFFFAOYSA-N	372.425	3.457	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cnn(CC)c1	36631353	MPPDDJPQHWQJSK-UHFFFAOYSA-N	368.466	3.078	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(OCc2ccccc2F)c(OC)c1	33630054	RJQCZJQXKUGSLB-SRZZPIQSSA-N	361.442	3.231	30	40	FGEB	
C[C@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)C1	225858763	KIBQAUXPOSDKMH-AWEZNQCLSA-N	370.884	3.445	30	40	FGEB	
C[S@@](=O)c1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1F	619789042	XNBXBPIVPSZLOB-XMMPIXPASA-N	365.817	3.410	30	40	FGEB	
Cc1ccc(O)c(/C(CCCCCCCCC(=O)NCC(=O)O)=N/O)c1	6189436	FLWYGPZJEAWAET-LTGZKZEYSA-N	364.442	3.201	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1	18038232	VEBJUJMPWMDUCD-LJQANCHMSA-N	361.401	3.090	30	40	FGEB	
CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)nc4ncnn34)c2C#N)C1	36619246	FRJOPDRFTKASEN-NSHDSACASA-N	366.450	3.133	30	40	FGEB	
CC1=NN[C@@H]2N[C@@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@@H]12	100998579	NWKTUUJCENYCME-HOJAQTOUSA-N	352.482	3.004	30	40	FGEB	
COc1cc(C)c(CN(C)CCC(=O)Nc2sccc2C#N)cc1OC	8392957	ANAPOLHWGFUHMW-UHFFFAOYSA-N	373.478	3.406	30	40	FGEB	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N(CCC#N)CCC#N)c1	12733439	XPDXSRYHBNWPRV-UHFFFAOYSA-N	367.478	3.237	30	40	FGEB	
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1	4331398	ZSNUNWVHVNWUAO-ZDUSSCGKSA-N	367.478	3.376	30	40	FGEB	
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1	14184396	FNPXGKBWNHVZGL-GOSISDBHSA-N	359.351	3.127	30	40	FGEB	
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC2(CC1)OCCO2	71939138	PNGZPEUWHJIKRY-UHFFFAOYSA-N	361.348	3.051	30	40	FGEB	
C=C(C)CN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc(OC)c1	9469848	CHJOKUIADNTYSC-IBGZPJMESA-N	365.433	3.427	30	40	FGEB	
C=CCOc1ccc(/C=C2/NC(=O)N(CCC)C2=O)cc1Br	409231452	JDYLLAHQCJNSRO-JLHYYAGUSA-N	365.227	3.317	30	40	FGEB	
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1	225776421	PODUDHZNDQHJJF-UHFFFAOYSA-N	354.381	3.393	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224779633	ZSCWCXPDIXUNBV-UHFFFAOYSA-N	371.418	3.351	30	40	FGEB	
N#Cc1cccc(-c2nc([C@@H]3CC(=O)N(Cc4cccs4)C3)no2)c1	44214010	MVECFDOZTCCSTF-CQSZACIVSA-N	350.403	3.186	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@H]4CCC[C@H](C)[C@H]4C)CN3)nc2c1	16994375	UVJAURJSRPJZJF-KHYOSLBOSA-N	366.513	3.469	30	40	FGEB	
CCc1c(C)nc(C(C)(C)C)nc1N1CCN(c2ncccc2C#N)CC1	1888866454	LCLMSPKDQWMBAK-UHFFFAOYSA-N	364.497	3.238	30	40	FGEB	
O=C(C[n+]1cn(NCc2ccco2)cn1)c1ccc(-c2ccccc2)cc1	40153150	SUGNHCDZRMNNEC-UHFFFAOYSA-N	359.409	3.057	30	40	FGEB	
N#Cc1nc(-c2ccco2)oc1NC[C@@H](c1cccs1)N1CCOCC1	27794069	UQAQFFZZJAGFKE-AWEZNQCLSA-N	370.434	3.353	30	40	FGEB	
N#Cc1c(Cl)nsc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	65533524	GRNRBIZUFAVKFH-ZDUSSCGKSA-N	362.842	3.398	30	40	FGEB	
C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCN1CC(F)(F)F	92103189	PVOCITMDROZKDO-HNNXBMFYSA-N	354.420	3.105	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(F)cc2)cc1	19138060	JMIUOJBTPRJPRP-FZKQIMNGSA-N	369.392	3.093	30	40	FGEB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)[nH]2)cc1	9226055	POHPXZWGJDWAOM-UHFFFAOYSA-N	365.418	3.083	30	40	FGEB	
C#CCOc1cccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)c1	36740674	YATWHSZWXGUHDO-HXUWFJFHSA-N	362.473	3.135	30	40	FGEB	
Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1Br	222284885	WBSFXZTVKOZXJL-RCUOQLDVSA-N	373.250	3.289	30	40	FGEB	
CC(C)(C)OC(=O)N(CCCCNC(=O)CC#N)OCc1ccccc1	585138373	KYEBRBDDEZBOQY-UHFFFAOYSA-N	361.442	3.165	30	40	FGEB	
COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1	878205	WJSDKMXIIPAJLC-UHFFFAOYSA-N	355.419	3.088	30	40	FGEB	
CS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1	4517888	PITLTEREHHDRGI-UHFFFAOYSA-N	360.460	3.154	30	40	FGEB	
C=CCc1c(C)[nH]c2c(-c3ccc(OC)c(OC)c3)c(CC)nn2c1=O	10338584	XUFIKVOPJUDVBV-UHFFFAOYSA-N	353.422	3.306	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2F)c(C#N)c1C	9142083	WGBAZWJDXGZVPC-UHFFFAOYSA-N	357.366	3.368	30	40	FGEB	
O=S(=O)(/N=C(\O)C=C(C1CC1)C1CC1)c1ccc2c(c1)OCCCO2	54427114	FGSNYBIGYRRGNJ-UHFFFAOYSA-N	363.435	3.240	30	40	FGEB	
COc1ccc(CN/N=C/c2cc(Cl)c(OC)c(OC)c2)cc1OC	20196428	PXTWJOUNPYEFLC-SRZZPIQSSA-N	364.829	3.498	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)nc1	48236528	FVHVHCBVERASME-OAQYLSRUSA-N	360.461	3.437	30	40	FGEB	
N#Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1	14255264	XJVYSUFTNUVUJT-UHFFFAOYSA-N	371.352	3.200	30	40	FGEB	
COC(=O)/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O	4699805	FGKAZCCWCBXRGF-MSYUKONTSA-N	366.442	3.375	30	40	FGEB	
COc1ccccc1NS(=O)(=O)/N=C(\O)c1c(C)[nH]c2ccccc12	6755712	MIMHGBCDUGUYHG-UHFFFAOYSA-N	359.407	3.146	30	40	FGEB	
C=CCc1cc(C(=O)Nc2cnn(-c3ccccc3)n2)cc(OC)c1OC	95456534	DMRHNHDDWGLYRC-UHFFFAOYSA-N	364.405	3.265	30	40	FGEB	
C#C[C@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1	89261400	NBXJGABHTNZEBI-IBGZPJMESA-N	354.427	3.229	30	40	FGEB	
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1Cl	44847996	NHVCOFVNDBTWBV-UHFFFAOYSA-N	363.826	3.030	30	40	FGEB	
CC(C)NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	97941894	YPDUUHVCZVAVAG-UHFFFAOYSA-N	367.158	3.409	30	40	FGEB	
CC(C)N1CCN(c2ccc(C(=O)O[C@H]3CCCC[C@@H]3C#N)cc2)CC1	95456263	VVPLJWGVERMWCW-QUCCMNQESA-N	355.482	3.456	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)n[nH]c1=O	79106714	PPPADUDAVPREBD-GFCCVEGCSA-N	354.435	3.030	30	40	FGEB	
CC(=O)O[C@@]1(C)C=Cc2ccccc2/C1=N/S(=O)(=O)c1ccccc1	16955580	IYGVTMMSYMSKCH-HQMFNGAOSA-N	355.415	3.213	30	40	FGEB	
C[C@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C	28914588	ZGUBFOKOLGVFLI-BXNZEIDJSA-N	353.378	3.312	30	40	FGEB	
N#Cc1cccc(OCCn2nnc(-c3cccc(C(F)(F)F)c3)n2)c1	59017225	KFNHMJKJUGFVMI-UHFFFAOYSA-N	359.311	3.310	30	40	FGEB	
C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)SCc2ccccc2)c1	57986637	SMGRNOUIKYSFJJ-HNNXBMFYSA-N	352.459	3.045	30	40	FGEB	
C=CCn1c(C)nnc1SCc1cc(=O)oc2cc(NC(C)=O)ccc12	3420639	AQWGIQXMWUUYDN-UHFFFAOYSA-N	370.434	3.130	30	40	FGEB	
CC(C)c1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCCC2	13683374	RAARCAHSFINDCC-UHFFFAOYSA-N	353.422	3.244	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nnc(-c2ccccc2C)n1C	14093384	CLHMWDJQFRFHEQ-UHFFFAOYSA-N	356.495	3.191	30	40	FGEB	
C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccco1	4951857	GEKDRDHNGSAMLF-ZEOVRSRCSA-N	357.410	3.481	30	40	FGEB	
Cc1cc(C)n2c(SCC(=O)Nc3sc(C)c(C)c3C#N)nnc2n1	5965623	CSLCGNHJURTYRR-UHFFFAOYSA-N	372.479	3.022	30	40	FGEB	
COc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1OC(C)C	409012271	PXSKARYLBXTBLO-XDHOZWIPSA-N	362.451	3.103	30	40	FGEB	
CCc1ccc([C@H](C)NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)cc1	21585852	YXMOYKBDKXXGQL-ZDUSSCGKSA-N	359.857	3.417	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1	218403562	IMZQXJFNMFHJFV-HBFSDRIKSA-N	369.442	3.092	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218332957	FZWCZLYJFXVTEJ-WSTZPKSXSA-N	369.442	3.008	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	222488508	FFRJRVSCSJRNDF-JCERVXRFSA-N	370.836	3.126	30	40	FGEB	
C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(F)ccc2OC)c1	223754872	WIEWGMWGVSZWOV-UHFFFAOYSA-N	365.426	3.220	30	40	FGEB	
Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccco2)cc(C(F)(F)F)n1	252495806	PAVRXCBGLNNSKH-IFRROFPPSA-N	368.294	3.382	30	40	FGEB	
COc1cc(C=Nn2c(S)nnc2-c2ccccc2)cc(OC)c1OC	252429441	PRHSDRCFESSFSM-UHFFFAOYSA-N	370.434	3.142	30	40	FGEB	
C/C(=N/N=C1/NC(=O)[C@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	6014532	HREPGTQTOXFPLC-DEFALTHMSA-N	368.418	3.149	30	40	FGEB	
N#Cc1cc2c(N)c(C(=O)Nc3ccc(F)cc3Cl)sc2nc1N	19852181	UCDHLABCLAZYJL-UHFFFAOYSA-N	361.789	3.377	30	40	FGEB	
CCCCc1ccc(/C(C)=N/Nc2cc(N3CCOCC3)ncn2)cc1	4480155	KLIVDTMZKJAWMD-XQNSMLJCSA-N	353.470	3.492	30	40	FGEB	
C/C(=N\O)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	5447080	AYYLWSKEMAFQBJ-CPNJWEJPSA-N	355.423	3.032	30	40	FGEB	
N#Cc1cccc(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)c1	3440727	CIKMIBGTTVUIFP-UHFFFAOYSA-N	361.357	3.421	30	40	FGEB	
CCCCc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCCC2	20591469	CPYKOWZKVWCNHB-UHFFFAOYSA-N	368.525	3.479	30	40	FGEB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CO	118917949	QREPSQOWKKIPJJ-HRIXKFROSA-N	360.494	3.057	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1nnc2n1CCCCC2	48375243	WKWKCXILDLWLFY-MRXNPFEDSA-N	352.398	3.126	30	40	FGEB	
COc1cc(SC)ccc1C(=O)OCC(=O)Nc1sccc1C#N	6612317	ACNCMMDWFCOTKL-UHFFFAOYSA-N	362.432	3.146	30	40	FGEB	
CCOc1cc(C)c(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC	409353841	SONLZORWCLVNEG-UHFFFAOYSA-N	367.405	3.090	30	40	FGEB	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1C#N	15360385	OUEFQURIZKZBOH-UHFFFAOYSA-N	369.490	3.369	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1CC(=O)O	7353175	KPPIIUWXQLPBFI-QPJJXVBHSA-N	356.374	3.236	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1O)c1ccco1	96336113	QAKTVXQWIRYDJP-AWEZNQCLSA-N	368.370	3.225	30	40	FGEB	
Cc1cccc(-c2nnc(S)n2CCC(=O)NC2(C#N)CCCCC2)c1	78547240	YQCQLCWMOXYBLX-UHFFFAOYSA-N	369.494	3.275	30	40	FGEB	
Cc1cc(C)cc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1	256047664	NWYKPFCCVDYZFL-UHFFFAOYSA-N	358.449	3.082	30	40	FGEB	
CC1=C(NN=C2C(=O)CC(C)(C)CC2=O)C(=O)[C@@H](c2ccccc2)[C@@H]1C	1554503604	PUMAWADKMFIYIQ-SJKOYZFVSA-N	352.434	3.167	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccccc2)c(OCC)c1	7601837	OVCLMZZYBVDRLJ-UHFFFAOYSA-N	365.437	3.449	30	40	FGEB	
C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1	12556149	MDLPCFRYBLHVDL-KKSFZXQISA-N	362.429	3.444	30	40	FGEB	
C=C(C)COc1ccccc1CN1[C@H]2CC[C@H]1CC(O)(c1nccn1C)C2	100765895	CZZSSOBOLRIRDT-OALUTQOASA-N	367.493	3.390	30	40	FGEB	
O=C(O)c1cc(N/N=C/c2ccc(N3CCOCC3)cc2)ccc1Cl	4867088	JHUDYSXAYLYVDY-UDWIEESQSA-N	359.813	3.321	30	40	FGEB	
C=CCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1OC	9219905	NBOIAOQDTMGDDS-UHFFFAOYSA-N	365.433	3.281	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S	408719149	HUFSDCZLZDYOMT-VZUCSPMQSA-N	372.265	3.248	30	40	FGEB	
COc1ccc2nc(NCCCNC(=O)c3ccccc3)c(C#N)cc2c1	35313919	STMOCDRHMREBNM-UHFFFAOYSA-N	360.417	3.347	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1	19088000	XCKLQAQILIQCIB-LJQANCHMSA-N	361.401	3.090	30	40	FGEB	
C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1cccs1	4737378	XXQILZHPMRFVHT-XMHGGMMESA-N	371.514	3.360	30	40	FGEB	
Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(F)cc2N)c1C#N	22417081	SBYRSQQBOKXMHU-UHFFFAOYSA-N	350.353	3.131	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc(OC)c1	3652451	LVKLUHVRGKWUSP-QGZVFWFLSA-N	372.446	3.075	30	40	FGEB	
Cc1ccccc1NC(=S)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21	7010151	BSSJNKLUEFLIAZ-UHFFFAOYSA-N	355.379	3.196	30	40	FGEB	
N#Cc1ccccc1COC(=O)CCC(=O)c1ccc2c(c1)OCCO2	18957672	KGTPUMXHGUGZGB-UHFFFAOYSA-N	351.358	3.036	30	40	FGEB	
COc1c2c(cc3c1[C@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2	33349025	PUGTZMPAXSKRFM-HTAPYJJXSA-N	371.477	3.454	30	40	FGEB	biogenic
CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225082887	DFPTVBQBPBDWNL-UHFFFAOYSA-N	359.407	3.185	30	40	FGEB	
CC1(C)COB(c2cc(C(=O)OCc3ccccc3)ccc2Cl)OC1	169807991	PTWIOVJHQURFBU-UHFFFAOYSA-N	358.630	3.465	30	40	FGEB	
C=CCN(C(=O)COc1ccc(C#N)cc1)c1nc2c(s1)CCCC2	5511201	VVRMXBJMLFZGLR-UHFFFAOYSA-N	353.447	3.492	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1Cc1ccccc1	22086265	YYRFCHKLCFBQOD-GOSISDBHSA-N	350.418	3.179	30	40	FGEB	
COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c(OC)c1	12772798	BMFZHVQJUILIHH-QGZVFWFLSA-N	372.446	3.101	30	40	FGEB	
C=CCN(C(=O)CSc1nncn1C)c1nc(-c2ccccc2)cs1	6063597	LXWHIWCRVPCPPO-UHFFFAOYSA-N	371.491	3.250	30	40	FGEB	
N=c1c2sc3nc4ccccc4n3c2ncn1/N=C/c1cccs1	4651066	NJCWZZZSGUNBKZ-ZUFRFSQLSA-N	350.432	3.322	30	40	FGEB	
Cc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C2CC2)cc1C	6979352	MNBODHXQOCECIM-LJQANCHMSA-N	354.479	3.390	30	40	FGEB	
Cc1cn2c(/C=C/C(=O)c3ccc4c(c3)NC(=O)CO4)c(C)nc2s1	9367177	FUIPESKOMVXNJQ-SNAWJCMRSA-N	353.403	3.240	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1	225926084	AGMGRIZBBRRLKH-PHIMTYICSA-N	373.448	3.450	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	239203217	RYZNRFOSCDAQJF-NQDKFLQJSA-N	372.424	3.235	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1	245238935	CRAJHTZPJNQQPO-IQUIEGJXSA-N	357.523	3.311	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl	1529453762	DUMRVWQAWKQNCV-WNHPLGESSA-N	361.228	3.380	30	40	FGEB	
N#Cc1ccc(F)c(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1	11208025	RNWOPKJRIGWREF-UHFFFAOYSA-N	369.320	3.051	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(OCC)c21	100909913	HJLMKLIZVCZVRM-MRCUWXFGSA-N	366.442	3.484	30	40	FGEB	
COc1ccc(Cl)cc1C/C=N/NS(=O)(=O)c1ccc(C)cc1	8637489	NXJDZSFTKFIIKL-VCHYOVAHSA-N	352.843	3.164	30	40	FGEB	
Cc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c(C#N)c1C	29618568	RXJOSHOIYWMWFT-UHFFFAOYSA-N	359.836	3.080	30	40	FGEB	
Cc1nnc([C@H]2Cc3ccccc3CN2CCOc2cccc(C#N)c2)o1	58428073	FIOWYIPVLPGVKT-HXUWFJFHSA-N	360.417	3.428	30	40	FGEB	
CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(C#N)c2)CC1	3357802	MOZLYJKFGWBVPQ-UHFFFAOYSA-N	354.841	3.216	30	40	FGEB	
C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O	408531985	NBNWDSQOCCNBLL-GDNBJRDFSA-N	361.419	3.239	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)nc1	14203732	OUMOQYZEAPUVQV-UHFFFAOYSA-N	354.841	3.139	30	40	FGEB	
C#CCOc1ccc(/C=N\OCC(=O)Nc2ccc(C)cc2)cc1OC	409369364	BNMWNQYFIZLGOR-BKUYFWCQSA-N	352.390	3.005	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218489861	GLBVMFYOFSNHPH-KURKYZTESA-N	359.834	3.297	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	242648739	RFLKWMVSTSCAJK-VAMGGRTRSA-N	355.459	3.400	30	40	FGEB	
C=CCN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)/C=C/c1ccccc1	1547139770	GHNBLHPFOAKAGG-JFSJNAAWSA-N	358.482	3.216	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@@H]1C2	253407529	WNQOWPFARWIGAD-JWJAUNBTSA-N	362.466	3.147	30	40	FGEB	biogenic,in-vitro
CCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C#N)C1	4281008	HHLQQPDXPOOOLM-UHFFFAOYSA-N	361.448	3.448	30	40	FGEB	
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	6226863	QFFJHLMAZLKAKF-UHFFFAOYSA-N	364.854	3.081	30	40	FGEB	
Cc1cc(C)cc(N(CCC#N)C(=O)COc2cc(C)ccc2C(N)=O)c1	32789222	VDDIFFDQKJNOSD-UHFFFAOYSA-N	365.433	3.036	30	40	FGEB	
C=CCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Cl)s1	41626391	USYXTAXNBHNOTQ-UHFFFAOYSA-N	355.891	3.110	30	40	FGEB	
COc1ccc(Cl)cc1/C=C/C=N\c1ccc(S(N)(=O)=O)cc1	102814341	BPYINGGETDQRCD-YMFWYZHBSA-N	350.827	3.412	30	40	FGEB	
N#Cc1ccc(NCc2ccccc2N2CCC(CO)CC2)c([N+](=O)[O-])c1	4036548	XMJUINCFHKBDGS-UHFFFAOYSA-N	366.421	3.287	30	40	FGEB	
CN(C)c1nc(N/N=C/c2ccccc2F)nc(Nc2ccc(F)cc2)n1	4610936	WPKKQVMCWHILDL-SRZZPIQSSA-N	369.379	3.405	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1)n1cccn1	27079423	LWMAQKHJYQZJQC-AWEZNQCLSA-N	359.389	3.207	30	40	FGEB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C#N)cc1F	8161781	WJEDILXWEJDAGP-UHFFFAOYSA-N	362.744	3.155	30	40	FGEB	
Cc1cc(Br)ccc1SCC(=O)N[C@]1(C#N)CCSC1	58179475	RZGAPNVWKPKDMG-AWEZNQCLSA-N	371.325	3.365	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccccc2Cl)C1=O	408534860	MSHXSZJXEGSKSE-GFCCVEGCSA-N	355.781	3.250	30	40	FGEB	
COc1cc([C@@H]2NC(=N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	408731979	RJVXYEHCNQYQGD-FQEVSTJZSA-N	365.433	3.306	30	40	FGEB	
C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C	226278895	VWHBCFBXISGRQT-LBPRGKRZSA-N	368.355	3.356	30	40	FGEB	
N#C[C@]1(C=O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	242688197	VKISBDCRJLMINS-ZACQAIPSSA-N	363.797	3.128	30	40	FGEB	
CN1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccc(N2CCOCC2)cc1	4514315	SDLRKEOANMGCQU-YWKYIXQJSA-N	369.446	3.350	30	40	FGEB	
COc1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1	4127415	NIQNGEJIBOTJBP-XAMWDVODSA-N	362.389	3.204	30	40	FGEB	
COc1cccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1OC	20591549	QQWRJGCMZTYISH-YVLHZVERSA-N	369.417	3.396	30	40	FGEB	
N#CCOc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1	23692430	CHTISEFAPDHBJO-KRWDZBQOSA-N	352.390	3.399	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)CCN1C(=O)c2ccc(C)cc2C1=O	57672302	XBTQUPWBXXHJCA-UHFFFAOYSA-N	368.458	3.257	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2	8231496	OZYUJTXUYLQLJY-HNNXBMFYSA-N	369.446	3.167	30	40	FGEB	
CNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	21722067	ZNZXNIXJCHAYFV-FQEVSTJZSA-N	367.474	3.474	30	40	FGEB	
COC(=O)C[C@H](/N=C(\O)c1cc2ccccc2oc1=O)c1ccccc1	14171131	IPYXUZCFHVRBPP-INIZCTEOSA-N	351.358	3.402	30	40	FGEB	
CC(C)Oc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1	5451692	PLNSGKCEZOWXHB-HNNXBMFYSA-N	352.438	3.473	30	40	FGEB	
CCOc1ccc(CCNC(=O)COc2ccccc2C#N)cc1OCC	5517503	FXLRYYCYSVLSSW-UHFFFAOYSA-N	368.433	3.093	30	40	FGEB	
Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1sccc1C#N	5537546	WCHJLURMEKQREZ-UHFFFAOYSA-N	367.386	3.379	30	40	FGEB	
C=CCn1cnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C	6607012	PCTVPJFDEXEQNB-HNNXBMFYSA-N	360.483	3.036	30	40	FGEB	
C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)OC	17074443	GAXLSBOJYBXKDB-UHFFFAOYSA-N	361.467	3.432	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1	8744794	ZTNJPBMGXMZLES-LBPRGKRZSA-N	357.841	3.327	30	40	FGEB	
COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)o1	408795923	NRBHGMPBYYTMCQ-LNXLGYLDSA-N	358.375	3.220	30	40	FGEB	
COc1cc(/C=C2\SC(NC3CCCCC3)=NC2=O)ccc1OCC#N	7209245	VSWBCYIIMDFQHU-ATVHPVEESA-N	371.462	3.490	30	40	FGEB	
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(N)=O)n2)cc1	7275878	YQEZJFGDBJXPOT-UHFFFAOYSA-N	367.352	3.225	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1csc(-c2cnn(C)c2)n1	55892033	VKZOHGCFWNSMIQ-UHFFFAOYSA-N	368.462	3.381	30	40	FGEB	
O=C(O)C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCS1	68590789	QPOSJWPCUXXFFW-AATRIKPKSA-N	351.405	3.343	30	40	FGEB	
CCCN1C(=O)/C(=N\OCC(=O)Nc2cccc(Cl)c2)c2ccccc21	3320760	QTLLDGUAXDOPJV-PYCFMQQDSA-N	371.824	3.456	30	40	FGEB	
C=CCc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc(OC)c1O	409214084	XVNFRBXDNINWHK-JJFYIABZSA-N	366.421	3.297	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(O)n[nH]c1N2	18195621	ZQDLAGWGVPQPED-GFCCVEGCSA-N	360.211	3.442	30	40	FGEB	
CCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	6418772	IALOMCUQVVYABV-UHFFFAOYSA-N	352.394	3.192	30	40	FGEB	
COc1ccc(NC(=O)[C@H]2CC(O)=N/C(=N\N=C\c3ccco3)S2)cc1	9011932	MKBDRKARLHCCCT-YFEUJDIGSA-N	372.406	3.079	30	40	FGEB	
N#CCCNS(=O)(=O)c1ccc(C(=O)OC2CCCCCCC2)cc1	84392480	BZOPCOAHBBCSTF-UHFFFAOYSA-N	364.467	3.148	30	40	FGEB	
CC1(C)CC[C@H](NC(=O)NCCNc2ncccc2C#N)c2ccccc21	84673343	AFXCXAJTWBVIFL-SFHVURJKSA-N	363.465	3.477	30	40	FGEB	
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2cccs2)S1	409076286	ALLQHUGHGWCEEF-LUAWRHEFSA-N	351.449	3.096	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccc(F)cc1)O3	4452357	ZAHTUSMPCRFEFD-RGCFKVTRSA-N	350.353	3.335	30	40	FGEB	
C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	6014537	HREPGTQTOXFPLC-SDLDRHLBSA-N	368.418	3.149	30	40	FGEB	
CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnnn1-c1ccc(C)cc1	13785506	OTWOVDYYMBSUSZ-LVZFUZTISA-N	366.450	3.386	30	40	FGEB	
CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(C#N)cc1	2758976	MYBORTOXAWUYII-NMWGTECJSA-N	365.776	3.467	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccco2)s1	13728091	VOZMNHHZNHPZCN-LBPRGKRZSA-N	373.415	3.284	30	40	FGEB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccc(Br)cc2)C=CC1=O	101028102	MGUUWKIZBLFIAQ-SSZFMOIBSA-N	354.225	3.054	30	40	FGEB	
Cc1ccc(-c2c[n+](CC(=O)NCCc3ccccc3)c3n2CCC3)cc1	13776393	QWUTZLGUHJOOCZ-UHFFFAOYSA-O	360.481	3.056	30	40	FGEB	
CCOc1ccc(/C=N/OCC(=O)N2CCc3ccccc32)cc1OC	5397245	MCGOHOIWCHYJJB-FYJGNVAPSA-N	354.406	3.034	30	40	FGEB	
CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1ccccc1C	7044085	JYQNYZDETCEJDI-LJQANCHMSA-N	371.510	3.420	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=N\N2C(=O)CSC2=S)cc1OCC	409347699	QRVOOWHQVUXZPB-IUXPMGMMSA-N	370.883	3.498	30	40	FGEB	
C#CC[C@H](CC)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	97010055	CHIVKJZMDJIFLW-AWEZNQCLSA-N	369.387	3.465	30	40	FGEB	
COc1ccc(-c2nc(SCC(=O)C(C)(C)C)[nH]c(=O)c2C#N)cc1	32882971	AWFWKNCTLNINBH-UHFFFAOYSA-N	357.435	3.024	30	40	FGEB	
Cc1ccc(-n2cnc3c2CCN(c2nc4c(cc2C#N)COCC4)C3)cc1	582103234	AWSNQNZTFNKNBV-UHFFFAOYSA-N	371.444	3.083	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)/C=C/[C@H]2CC=C(O)[C@H](OC)C2)ccc1O	100100203	CRCHRNHFHJDFAA-VMXSGDKLSA-N	372.417	3.365	30	40	FGEB	in-vitro
CC(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)s1	29985150	HKDQAHVELXSPJN-UHFFFAOYSA-N	367.474	3.170	30	40	FGEB	
Cn1ncc(-c2cc3ncc(C#N)c(C(F)(F)F)n3n2)c1C(F)(F)F	1399454	TWVPHWBRYFKFTJ-UHFFFAOYSA-N	360.221	3.039	30	40	FGEB	
CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)NC(=O)N1C	12699563	KPLWOSUZNVHHPP-KRWDZBQOSA-N	364.401	3.083	30	40	FGEB	
COc1ccc(NC(=S)N/N=C2\C(O)=Nc3ccc(F)cc32)cc1OC	6405007	IYHWJOBJLRJLQV-UHFFFAOYSA-N	374.397	3.135	30	40	FGEB	
OCc1cc(F)cc(CO)c1OC/C(O)=N/c1ccc(F)c(Cl)c1	9691781	HDTXANDESHPYTE-UHFFFAOYSA-N	357.740	3.270	30	40	FGEB	
COc1ccc(CNCCC2CCN(c3ccncc3)CC2)cc1C#N	95462169	DRZZDXCIDISCES-UHFFFAOYSA-N	350.466	3.358	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2cccn2-c2ccc(O)cc2)c([N+](=O)[O-])c1	409017314	MQWOQHJXVVRRMI-WOJGMQOQSA-N	367.321	3.445	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(OCc2ccccc2)cc1	409406549	RCHDMPRMBWWVRC-JYAXBFRTSA-N	372.424	3.407	30	40	FGEB	
N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cl)s2)CC1	70929116	KKNHFKKZAFCBGH-UHFFFAOYSA-N	360.870	3.315	30	40	FGEB	
CCCCCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O	96019488	KSIXNTYNFXBETF-UHFFFAOYSA-N	360.458	3.308	30	40	FGEB	
Cc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccccc2[N+](=O)[O-])S1	13304292	JDUXPYCXFDGHIY-YDDPGSGASA-N	368.418	3.067	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(Cl)cc1	2701903	VPAIBTZSUPCDGJ-OAHLLOKOSA-N	362.838	3.329	30	40	FGEB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C#N)cc3)nc12	4070157	WJJHUUOEYXGPRJ-UHFFFAOYSA-N	354.347	3.337	30	40	FGEB	
CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)cc1F	20849320	OLQFOPNAPIHEIS-PYCFMQQDSA-N	358.300	3.342	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1F	809317	CSFFXHBKMJNFGG-CQSZACIVSA-N	363.360	3.065	30	40	FGEB	
COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@H]1c1ccc(C#N)cc1	956241	RNZIIGHHNPMGEH-SFHVURJKSA-N	371.400	3.279	30	40	FGEB	
Cc1ccccc1C1(CNC(=O)COc2ccccc2C#N)CCOCC1	55761331	ZFUHUXUMVIBVKV-UHFFFAOYSA-N	364.445	3.110	30	40	FGEB	
COc1cc(C#N)ccc1O[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C	12819174	BOOAANKOAYSSGW-AWEZNQCLSA-N	367.405	3.299	30	40	FGEB	
Cc1ccc(N/C(S)=N\Cc2ccc(S(N)(=O)=O)cc2)cc1Cl	13598079	SXEVDCCFAFCNJO-UHFFFAOYSA-N	369.899	3.194	30	40	FGEB	
N#Cc1c(NC(=O)CSc2ncc3ccccn23)sc2c1CCC2	14095818	QXUHWGDZZJKBKE-UHFFFAOYSA-N	354.460	3.487	30	40	FGEB	
COc1ccc2c(c1)CCC[C@H]2C/C(O)=N/S(=O)(=O)c1cccnc1	66002919	MKTCVOAWNQEKBX-AWEZNQCLSA-N	360.435	3.246	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O	6847611	SWOUPGIYMWEMDX-NRFANRHFSA-N	372.384	3.180	30	40	FGEB	
C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccccc1C#N	9379202	PRKSVCRLEVDRNB-VIFPVBQESA-N	355.448	3.264	30	40	FGEB	
C=CCOC(=O)c1ccccc1-c1nn2c(C(F)(F)F)nnc2s1	73642782	IJJZHCUEQXYFQA-UHFFFAOYSA-N	354.313	3.214	30	40	FGEB	
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)c(O)c1	5668001	DVPSKNHUGPBPPJ-LPYMAVHISA-N	357.369	3.357	30	40	FGEB	
C/C(=C/C(=O)ONC(=O)c1ccc(C)cc1)Nc1ccccc1[N+](=O)[O-]	16292023	ZPHRZDCRTXXYAL-QBFSEMIESA-N	355.350	3.107	30	40	FGEB	
O=C1N[C@@H](c2ccccc2)/C(=C(\O)c2ccc(Br)cc2)C1=O	101062610	IOQLVGIKVJQEND-MRPLLJTBSA-N	358.191	3.158	30	40	FGEB	
CCCCCCCCCCCC(=O)N(CCO)C(=O)C[n+]1ccccc1	104367619	NEQHQADVWZAOPV-UHFFFAOYSA-N	363.522	3.243	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	1476099	IIKBZNOQGXIGPT-GFCCVEGCSA-N	368.216	3.458	30	40	FGEB	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cccc(C#N)c1	12517337	MYIGTRWEDJENBY-UHFFFAOYSA-N	369.490	3.369	30	40	FGEB	
COc1cc(/C=N/NC(=S)Nc2c(C)cccc2C)cc(OC)c1O	3342351	GRCCYWOCMLWEKV-VXLYETTFSA-N	359.451	3.347	30	40	FGEB	
CC[C@H]1S/C(=N\S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	17778933	KEOKPNMCWRVXNB-KXEGMRRWSA-N	372.537	3.480	30	40	FGEB	
C=CC[C@@H]1C(=O)C=C(OC)[C@]2(OC)[C@H]1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C	4098760	COELSLLVNMRXHB-KYIFXELVSA-N	372.417	3.182	30	40	FGEB	biogenic,in-vitro
CCNC(=S)N/N=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	7008425	CREYTEIRYGTYFA-UFWORHAWSA-N	370.309	3.365	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3	7738425	CGFVAHJOZFDUJP-UHFFFAOYSA-N	371.506	3.104	30	40	FGEB	
COc1ccc2[nH]c(SCC(=O)[C@H](C#N)c3nc(C)cs3)nc2c1	8391707	FQXGICOESBKRRT-NSHDSACASA-N	358.448	3.305	30	40	FGEB	
N#Cc1ccc([C@H](Sc2nnc(Nc3ccccc3)s2)C(N)=O)cc1	97212516	ALQJLLCYZPXNRF-AWEZNQCLSA-N	367.459	3.472	30	40	FGEB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=N\Nc1ccc(Cl)cc1	409353820	SAMWWLBFIISNQA-PGMHBOJBSA-N	373.796	3.190	30	40	FGEB	
COC(=O)c1ccc(C)c(/N=C/c2ccc(N3CCOCC3)cc2OC)c1	409249117	JNNGYLLBMYMFNZ-HYARGMPZSA-N	368.433	3.377	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c1	34714867	HTPRRTBUJOHTEA-ODLFYWEKSA-N	358.467	3.362	30	40	FGEB	
N#CCc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1	225420025	ABSTUGQWOFFAGA-UHFFFAOYSA-N	366.490	3.076	30	40	FGEB	
N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1	238872379	NFLINMNHYRGULP-OAHLLOKOSA-N	361.323	3.266	30	40	FGEB	
COc1ccc(OC)c(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c1	6032850	NBXUPSZCJXZRSP-ODLFYWEKSA-N	354.435	3.442	30	40	FGEB	
C=CCOc1ccc(/C=C2/SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1	6080790	NITUGAYYOAGPPJ-PCRWRXJSSA-N	363.460	3.316	30	40	FGEB	
C=CCNC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	12973923	YANBMFCCSPBZLG-UHFFFAOYSA-N	372.490	3.191	30	40	FGEB	
C=CCSc1nnc(NC(=O)Cc2cnn(-c3ccccc3)c2)s1	14899017	KILXIJNKLGSZOM-UHFFFAOYSA-N	357.464	3.183	30	40	FGEB	
N#Cc1ccc(NC(=O)CSCc2nc(-c3ccccc3)no2)cc1	40067230	RMAAIFAUOIVYID-UHFFFAOYSA-N	350.403	3.480	30	40	FGEB	
C(#CCN1CCOCC1)COCCOC(c1ccccc1)c1ccccc1	20028800	PMCOEGABGHFMTE-UHFFFAOYSA-N	365.473	3.145	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)NC1CC1	57996562	IZIPYSXPIFHVMK-UHFFFAOYSA-N	369.808	3.121	30	40	FGEB	
COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2C)cc1	13563421	WGMLQSJQAFYXBM-YOPNLDQXSA-N	353.447	3.469	30	40	FGEB	
COc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1OC	16768421	FRHWLIYFLJRDMQ-FZBZROKSSA-N	369.421	3.347	30	40	FGEB	
COc1c2c(cc3c1[C@H](C#C[C@@](C)(O)CCC=C(C)C)N(C)CC3)OCO2	20112339	PUGTZMPAXSKRFM-JTSKRJEESA-N	371.477	3.454	30	40	FGEB	biogenic
COc1ccccc1[C@H](C(C#N)C#N)[C@@H]1C(=O)N(c2ccccc2)N=C1C	4828366	ZSFIALJLOUQNOZ-UXHICEINSA-N	358.401	3.481	30	40	FGEB	
CC(C)N1CCN(c2ccc(C(=O)O[C@H]3CCCC[C@H]3C#N)cc2)CC1	95456265	VVPLJWGVERMWCW-ICSRJNTNSA-N	355.482	3.456	30	40	FGEB	
CCCCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1	23683872	FSJYHNDRBHQHIR-UHFFFAOYSA-N	351.472	3.066	30	40	FGEB	
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2cccc(Cl)c2)n1	17075519	YRYDWMMGNNTNMV-UHFFFAOYSA-N	367.800	3.448	30	40	FGEB	
CCOC(=O)c1c(C)oc2c1/C(=C/NCCC(=O)O)C(=O)c1ccccc1-2	100437608	QWAIAVLWFXMYNQ-UVTDQMKNSA-N	369.373	3.033	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1	6544186	AOMIAYBJKNNQGT-UHFFFAOYSA-N	350.403	3.263	30	40	FGEB	
C=CCn1c(C)nn(CN2CCN(c3cccc(Cl)c3)CC2)c1=S	12534734	MOSJJGZPZRHWQQ-UHFFFAOYSA-N	363.918	3.342	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccn3)ccc2C#N)CC1	22115437	ZFYAQKICBPBLQT-UHFFFAOYSA-N	365.437	3.072	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O	58192206	FFYLAKOGYIYSGY-UHFFFAOYSA-N	373.456	3.168	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O	36185698	LSWVUZGRBMDGMB-IBGZPJMESA-N	369.808	3.058	30	40	FGEB	
CCOC(=O)[C@@H]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1	12600304	PESPVVDTHYZOHB-RBYWHNRPSA-N	370.493	3.142	30	40	FGEB	
Cc1cc(C)n2nc(C(=O)N3CCCS/C3=N\c3ccccc3)nc2n1	3428337	CGUYJJRKIBNPAM-ZZEZOPTASA-N	366.450	3.008	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)N2CCCC2)nnc1-c1ccccc1OC	5131414	CRQFTUGGORRZFT-AWEZNQCLSA-N	372.494	3.243	30	40	FGEB	
COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c(OC)c1	15334123	MEMPPRWXFRQTAR-GOSISDBHSA-N	372.446	3.101	30	40	FGEB	
CC1=C(N/N=C2\C=CC(=O)c3cccnc32)C(=O)[C@H](c2ccccc2)[C@H]1C	1554504456	VGYKTUPATMEDJC-FRZYLQRCSA-N	357.413	3.404	30	40	FGEB	
N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@@H](C(=O)O)N2c3ccccc3C=C[C@@H]21	5336955	SVPDJKRQYKLPDS-QYZOEREBSA-N	359.360	3.312	30	40	FGEB	
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)Nc2ccc(Cl)cc2)n1	17075520	GTEIZOYJQLJERF-UHFFFAOYSA-N	367.800	3.448	30	40	FGEB	
CC(=O)/C=C/C=C/c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	5601781	RCKPFEXECYJLFV-PJFGLRATSA-N	368.385	3.130	30	40	FGEB	
CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1	5793616	VDBWAEUOMIRTDC-DEDYPNTBSA-N	352.467	3.357	30	40	FGEB	
N#CCc1ccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)cc1	64665920	IERFUQKPWXHCFV-UHFFFAOYSA-N	370.839	3.192	30	40	FGEB	
CSCC[C@@H](C)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	72290441	GXSDGNXARVJHTR-CQSZACIVSA-N	372.456	3.247	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@@H]2N[C@H](C(=O)O)CS2)c2ccccc21	408811929	MBIBZALOMNNSFP-PKOBYXMFSA-N	363.442	3.349	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc4c(c3)OCO4)C2=O)s1	138827427	ZASCSUMOXHRAGR-SBUQVKOSSA-N	359.432	3.247	30	40	FGEB	
C[C@H]1CN=C(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)S1	95972090	MFGIXJRVCFNYRS-NSHDSACASA-N	354.401	3.190	30	40	FGEB	
CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnnn1-c1ccccc1	2200083	HBUPBDPSBRUAMI-KNTRCKAVSA-N	352.423	3.077	30	40	FGEB	
O=C(/C=C\N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Br)cc1	16478667	AIKBTUCUFGFUCC-BLIJAFNYSA-N	374.234	3.431	30	40	FGEB	
CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1	6275715	PXQRRPIZVJYRFK-GIJQJNRQSA-N	372.406	3.192	30	40	FGEB	
COc1cc(/C=N/Nc2snc(SC)c2C#N)cc(OC)c1OC	4482282	CCHKFOOWXZJJFO-CAOOACKPSA-N	364.452	3.208	30	40	FGEB	
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N\CC)S2)cc1	100106014	BPYLSAOUUHWEAV-AMGRQBIBSA-N	363.483	3.144	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C#N)C1	4275235	QNAPKIWSDNFWRG-UHFFFAOYSA-N	359.838	3.430	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc2nccnc2c1	12407524	RRJZBVBKUUIYTD-INIZCTEOSA-N	362.393	3.235	30	40	FGEB	
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)n2ncnc2n1	36621546	PJIGBAUEUGDPIZ-UHFFFAOYSA-N	366.450	3.277	30	40	FGEB	
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1cccc(C#N)c1	11370912	WVIUIHFHIJVNRI-OAHLLOKOSA-N	357.413	3.397	30	40	FGEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1	1004075	PIYMQVZTWGOQLK-UHFFFAOYSA-N	356.447	3.302	30	40	FGEB	
O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1	20647007	RFPZUVFWSAMQLC-JAIQZWGSSA-N	371.396	3.445	30	40	FGEB	
Cc1ccc(NC(=O)C[C@H]2S/C(=N\Cc3ccco3)NC2=O)c(C)c1	21224371	SPCJPGQTWOABFM-OAHLLOKOSA-N	357.435	3.013	30	40	FGEB	
C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2cccs2)nc2onc(C)c12	32869274	GUFVIDXATLYNDD-NSHDSACASA-N	371.418	3.107	30	40	FGEB	
COc1ccccc1[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3	102707499	SQOKEPRIYFHPFR-XNFNUYLZSA-N	362.389	3.204	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCN(Cc2cccc(Cl)c2)CC1	22937371	GBPPKECUVPBODI-UHFFFAOYSA-N	374.897	3.029	30	40	FGEB	
COc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)c1	22608357	MLTQMNRPCWJDGC-QLJPJBMISA-N	356.451	3.277	30	40	FGEB	
CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O	100617323	LOLJEILMPWPILA-IUMGZJPQSA-N	352.471	3.251	30	40	FGEB	
C=C(C)C[C@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3	101037594	YRCAGXDMMKPGNP-CLLBMXBRSA-N	359.809	3.046	30	40	FGEB	
N#Cc1cccc(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1	12769447	DTDGNNKJVTVNFV-UHFFFAOYSA-N	361.401	3.018	30	40	FGEB	
C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)C1CC1	7017590	FBFGSQSFTYXCBD-BEFAXECRSA-N	354.479	3.242	30	40	FGEB	
Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2C)c1	7977089	ZNNIDDOXHAEESN-UHFFFAOYSA-N	363.446	3.393	30	40	FGEB	
Cc1c(CNCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc(C#N)n1C	75831161	ZYUAQBNHCDOEIZ-IAGOWNOFSA-N	366.509	3.104	30	40	FGEB	
CC1=CC(=O)[C@@]2(C)[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@H]2S1(=O)=O	4690294	HIZIVFAFGQVLQJ-FLYSZBIRSA-N	362.491	3.378	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218045411	RTRAGWLEUVIDQT-HSALFYBXSA-N	355.459	3.481	30	40	FGEB	
Cn1ccnc1CN1CCC[C@H]1c1csc(Nc2cc(C#N)ccn2)n1	585294826	KQNWSCDBLPPEKH-HNNXBMFYSA-N	365.466	3.224	30	40	FGEB	
Oc1nncc(N/N=C\c2cccc(Br)c2)c1Br	31833872	CZPXLGDNWMAMGY-RZNTYIFUSA-N	372.020	3.153	30	40	FGEB	
C#CCOc1c(CC=C)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OCC	59104480	PIXUIPRIAAFJED-VYHRCCAKSA-N	370.474	3.358	30	40	FGEB	
CCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C(=O)O)nn32)cc1	8559249	WYZKEUIXCUZRKJ-MRXNPFEDSA-N	366.421	3.197	30	40	FGEB	
COc1cccc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1	21678325	PBKMZYOKTKTTHS-OAHLLOKOSA-N	352.390	3.187	30	40	FGEB	
OC(CCC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	104219285	WXKKSHCCJRPPMA-UHFFFAOYSA-N	362.110	3.478	30	40	FGEB	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(OC)cc(OC)c2)cc1	103504542	RWSNJTPREIRZQC-SFHVURJKSA-N	352.390	3.227	30	40	FGEB	
CCOC(=O)C1=C(C)Nc2c(C#N)c(C#N)c(OC)n2[C@@H]1c1ccccc1	1298647	LXWWLYIBTUJIPQ-QGZVFWFLSA-N	362.389	3.092	30	40	FGEB	
CC(NCCOC(=O)Nc1ccccc1)=C1C(=O)c2ccccc2C1=O	100430383	UJPOFOLQVCEIKK-UHFFFAOYSA-N	350.374	3.178	30	40	FGEB	
CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1	4182134	DDQASTLELCGCGT-LPYMAVHISA-N	352.394	3.017	30	40	FGEB	
CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	4837254	NBFLXMDWICBNDH-HOTGVXAUSA-N	365.481	3.390	30	40	FGEB	
N#CC1(NC(=O)COC(=O)CCc2ccc(-c3ccccc3)o2)CCCC1	7344739	BSHGIIVEMBEXRQ-UHFFFAOYSA-N	366.417	3.375	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Cl)c2)c1	95418718	XBGWRIOKDWOEMP-UHFFFAOYSA-N	368.817	3.196	30	40	FGEB	
CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O	95626164	IQHNJQKWEMCXAD-YYZTVXDQSA-N	351.424	3.261	30	40	FGEB	in-man
CN(C)c1ccc(/C=C2/CNC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	31817910	PQXIGFCAMSKVHL-AXPXABNXSA-N	361.489	3.458	30	40	FGEB	
C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21	32103802	UOOCYEFOFASKOH-NRFANRHFSA-N	362.433	3.204	30	40	FGEB	
COc1ccccc1[C@@H]1CC[C@H](C)CN1S(=O)(=O)c1cccnc1C#N	586771475	KUHRCOLKKJJJBM-YOEHRIQHSA-N	371.462	3.124	30	40	FGEB	
Cc1ccc(N2C[C@@]3(CCN(C(=O)C4(C#N)CCCC4)C3)CC2=O)cc1	585101597	YXOCUVSDJPZXMG-FQEVSTJZSA-N	351.450	3.034	30	40	FGEB	
CN(C)/C=C(\C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccccc1	4369371	YREABIGUZRQCKL-FOWTUZBSSA-N	353.813	3.101	30	40	FGEB	
Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ccc1B1OC(C)(C)C(C)(C)O1	203572294	VPNDSRZJSAJKEN-QGZVFWFLSA-N	369.274	3.252	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	6479430	PJZZZTXNIABVNS-GHRIWEEISA-N	362.385	3.226	30	40	FGEB	
COC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O	12662868	FBVUVFHSARLIIN-NXLLQJLMSA-N	366.369	3.419	30	40	FGEB	biogenic
N#CCc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1	8943572	CWCABJVISDOCQA-UHFFFAOYSA-N	361.492	3.441	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccncc1)c1ccco1	795998	LNFWDBMMDSYULA-GOSISDBHSA-N	360.369	3.453	30	40	FGEB	
COc1ccccc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2	13758906	WGPRCQLCAXAWMW-UHFFFAOYSA-O	366.416	3.175	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\SC(=N)NC2=O)cc1	408894102	IYHRMLPQVCVVKE-CHHVJCJISA-N	366.358	3.397	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc3sc4ccccc4n23)CCCCC1	9368334	LMBGANRRTACZGX-UHFFFAOYSA-N	371.491	3.379	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1	409146581	UFDCDUWCXDCIJY-BFTOSQDWSA-N	372.424	3.407	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(Cl)cc2)cc1	15919868	OHIGVPOTGMZMNB-KRWDZBQOSA-N	371.820	3.219	30	40	FGEB	
CCONC(C)=C1C=CC(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C=C1	32845207	CZEVANFIHUAPOZ-UHFFFAOYSA-N	364.449	3.498	30	40	FGEB	
Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1	22468131	BBKUNMWHHVWRAH-MOSHPQCFSA-N	364.445	3.064	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Br)s2)c1	8084715	YSHISDZPYOAYIM-OVCLIPMQSA-N	373.297	3.440	30	40	FGEB	
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(C)=O	12409514	HXNNFUCMUMIIEB-UHFFFAOYSA-N	362.451	3.091	30	40	FGEB	
N#Cc1ccc(F)c(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c1	29865207	SBBSQOGNMZOEIP-UHFFFAOYSA-N	369.348	3.175	30	40	FGEB	
COc1cc(/C=N/Nc2nc(C)nc3c2cnn3-c2ccccc2)ccc1O	4071536	QVZJKGXVIWDRGT-SRZZPIQSSA-N	374.404	3.284	30	40	FGEB	
Cc1cccc(-n2nc(C(=O)O)c(/C=C/c3cccs3)c(C#N)c2=O)c1	409198003	UEAKWEOWHCCPRQ-BQYQJAHWSA-N	363.398	3.343	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(Cl)cc3)C2=O)cc1	408537985	YCOCXKVYNYMQCZ-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCCO2	524729984	QCSQWNVHEXCSJP-GFCCVEGCSA-N	358.390	3.140	30	40	FGEB	biogenic
C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1C1CC1	14160662	XLXAQSBXEZMBNX-UHFFFAOYSA-N	358.467	3.464	30	40	FGEB	
CC(C)c1nccn1CC1CN(c2ncc(Br)cc2C#N)C1	2087122749	NCWNUCPZTDRIAS-UHFFFAOYSA-N	360.259	3.172	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	58163645	KJVKTCDKLRKARU-SFHVURJKSA-N	366.377	3.196	30	40	FGEB	
CC(=O)N1CCc2cc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)ccc21	24993369	XGSTXMACJIGQPV-UHFFFAOYSA-N	374.400	3.412	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2ccccn2)n(C[C@H]2CCCO2)c1C	8487077	QGJXCILFPBZGKP-OAHLLOKOSA-N	370.478	3.281	30	40	FGEB	
N#Cc1cccnc1N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	95999554	MTYUTINFAPOVFJ-MRXNPFEDSA-N	364.453	3.189	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3cccs3)C[C@@H]2c2nccs2)C1=O	306126802	FFPVXQTWAWSAQA-CRAIPNDOSA-N	359.520	3.209	30	40	FGEB	
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	225662933	CWPUUSLREALRNV-BZSNNMDCSA-N	359.834	3.297	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1	222477085	NLXDFVSYCDUJRU-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
CCc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)cc1	5408666	UORKTBQCDCUYHP-SFHVURJKSA-N	367.401	3.132	30	40	FGEB	
CC(C)c1c(C#N)c(N)nc(Sc2ccc([N+](=O)[O-])cc2C=O)c1C#N	13574266	NAQIMLSRCFJKKF-UHFFFAOYSA-N	367.390	3.402	30	40	FGEB	
CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(OC)c(OC)c1	907875	OHQAJBSPPHKIPZ-OAHLLOKOSA-N	354.406	3.423	30	40	FGEB	
Cc1nc(C)c(C#N)c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)n1	24778008	QXFSZRYGPHDEIP-LBPRGKRZSA-N	358.442	3.416	30	40	FGEB	
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)O	409049130	UXISGYCTJLIKIR-QGMBQPNBSA-N	364.741	3.471	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C4CCN(C)CC4)[C@H]3C[C@@H]12	4028430	WNMJQUYXUIYGDN-OUUKCGNVSA-N	360.542	3.327	30	40	FGEB	biogenic
O=C(O)c1cccc(N/N=C2/CCS(=O)(=O)c3ccc(Cl)cc32)c1	39670306	VSTDHXOKLKXEAC-RGEXLXHISA-N	364.810	3.032	30	40	FGEB	
C=CC/N=C1/S/C(=C/C(=O)Nc2ccc(Cl)cc2)C(=O)N1CC=C	4704090	BJNBSVFOXDSCKU-YWUXTCLMSA-N	361.854	3.466	30	40	FGEB	
O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1	90610480	JBJWXCUWSKZJGG-UHFFFAOYSA-N	369.364	3.066	30	40	FGEB	
Cc1cc(=O)oc2cc(NCC(=O)NC3(C#N)CCCCCC3)ccc12	101588871	LNRQNKLEPHDESH-UHFFFAOYSA-N	353.422	3.246	30	40	FGEB	
C#CCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1	20729430	DGNQCJGJDGKCRO-MRXNPFEDSA-N	359.389	3.106	30	40	FGEB	
C=CCc1ccc(OC[C@@H](O)COc2ccc(NC(C)=O)cc2)c(OC)c1	27211822	ZCAZAUWIFGLAET-SFHVURJKSA-N	371.433	3.201	30	40	FGEB	
CC1=CC(=O)C(Br)=C(C)/C1=N/S(=O)(=O)c1ccc(C)cc1	100999577	LXUSYDXQSWWZJV-BMRADRMJSA-N	368.252	3.323	30	40	FGEB	
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	100975304	RZYJCRFKVFEFSY-HEWTWTGNSA-N	360.460	3.068	30	40	FGEB	
COC(=O)CC/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OC	25392111	XWONCOSREGXIRR-GRSHGNNSSA-N	366.723	3.253	30	40	FGEB	
C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O	58185308	BFFMODZOKVMCOE-LJQANCHMSA-N	362.414	3.135	30	40	FGEB	
CN(CCC#N)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12	7160658	RAVFJKDSHLEWKR-UHFFFAOYSA-N	354.357	3.113	30	40	FGEB	
C#CCN(C(=O)Nc1cccc(-c2cccs2)c1)[C@H]1CCS(=O)(=O)C1	97032910	JNOQIEAJIVYLNV-INIZCTEOSA-N	374.487	3.069	30	40	FGEB	
N#Cc1c(NC(=O)COc2ccc3c(c2)CCC(=O)N3)sc2c1CCC2	84490064	ZRZFLKYPQZAEPT-UHFFFAOYSA-N	367.430	3.011	30	40	FGEB	
CCOc1ccc([N+](=O)[O-])cc1/C=N/NCc1ccc(OC)c(OC)c1	20196699	UKKNLMYREKGSDH-UDWIEESQSA-N	359.382	3.134	30	40	FGEB	
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218547535	CWPUUSLREALRNV-KZNAEPCWSA-N	359.834	3.297	30	40	FGEB	
N=C(S)N/N=C1/C[C@@H](c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21	33282862	PJMFWFQNKWVXOR-JHDSZEHQSA-N	373.409	3.279	30	40	FGEB	
C[C@]12CCC(=O)C=C1C=C[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1	253629647	RJTDWMKVQUPGSY-XLJOKAOBSA-N	356.462	3.341	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@H](CC#N)C1	1772769013	DQFHYQNTXCMXJL-INIZCTEOSA-N	359.426	3.158	30	40	FGEB	
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1	5007497	HOGUQXZAYWEKCN-RVDMUPIBSA-N	373.430	3.077	30	40	FGEB	
COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O	12442616	IXLFLEIAGLRDGE-UNOMPAQXSA-N	351.402	3.491	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(Br)c(OCC)c(OCC)c1	169884935	QYKCMPXZKCWVLO-RQZCQDPDSA-N	374.304	3.064	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1	7255509	FWTHWGDVWUJUPZ-KPKJPENVSA-N	350.374	3.152	30	40	FGEB	
C=CCOc1ccc(Br)cc1/C=N/n1cnnc1SC	408809668	HKAVFBOHYJEIOA-LZYBPNLTSA-N	353.245	3.210	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)n1	58208913	RMZZVTFBIUDSEU-QGZVFWFLSA-N	354.479	3.398	30	40	FGEB	
C=CCN(CC=C)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC(C)C	2354176	RBNWEEZYMCANNK-OAHLLOKOSA-N	350.422	3.367	30	40	FGEB	
CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccccc2)c(O)c1	8687882	XYPSMTZLBJAMNC-KGENOOAVSA-N	356.495	3.237	30	40	FGEB	
C=C(C)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCC3	13685814	WFLFEQPIQAEBNO-UHFFFAOYSA-N	363.446	3.233	30	40	FGEB	
N/C(=N\OC(=O)c1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1	5249148	GVXRWNOADPUOCV-UHFFFAOYSA-N	354.149	3.379	30	40	FGEB	
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2	4943814	RLDOOZOGABKISX-UHFFFAOYSA-N	363.373	3.294	30	40	FGEB	
Cc1oc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C#N)c1C	408592502	YRZUSVXJCFONOJ-RGVLZGJSSA-N	354.366	3.264	30	40	FGEB	
C=CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1	72338435	MPOCPRDCPFECJA-UHFFFAOYSA-N	351.410	3.008	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1	224048145	IPCJQAUGDDGYNK-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
N#Cc1cccc(CN2C[C@H](OCc3nc4ccc(F)cc4[nH]3)[C@H](F)C2)c1	96112218	KWIPZUWFDZJCPH-APWZRJJASA-N	368.387	3.313	30	40	FGEB	biogenic,in-vitro
C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1	1776007490	GMZXFGGNXGZAJZ-KGLIPLIRSA-N	363.238	3.288	30	40	FGEB	
O=C(/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21)c1ccc(=O)oc1	101638440	SLZSGLMWMVTVNK-RELWKKBWSA-N	365.776	3.091	30	40	FGEB	
CC1=C(NN=C2C(=O)CC(C)(C)CC2=O)C(=O)[C@@H](c2ccccc2)[C@H]1C	1554503606	PUMAWADKMFIYIQ-YVEFUNNKSA-N	352.434	3.167	30	40	FGEB	
N#C[C@@H]1C(=O)N=C(N2CCC(Cc3ccccc3)CC2)NC12CCCCC2	14163025	NONZYIQPTJFKFK-LJQANCHMSA-N	364.493	3.270	30	40	FGEB	
C=CC[C@]1(Cl)C(=O)C(Cl)=C(NCc2ccccc2)C1(OC)OC	100747245	PGUYDRDKJQWKGP-INIZCTEOSA-N	356.249	3.352	30	40	FGEB	biogenic
Cc1cnc2c(S(=O)(=O)N(CCC#N)Cc3cccnc3)cccc2c1	42627113	XKJAYMINTJPFGK-UHFFFAOYSA-N	366.446	3.043	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1	104301030	LZYARKAWIVHQAT-KPKJPENVSA-N	357.347	3.044	30	40	FGEB	
CCc1nnc(S)n1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408861652	UNBMAGGRRGVIEF-RQZCQDPDSA-N	357.395	3.488	30	40	FGEB	
C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC1(C#N)CCCCC1	8752358	LGSPMTVDHPFNOK-NSHDSACASA-N	361.496	3.356	30	40	FGEB	
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1Br	222284788	WBSFXZTVKOZXJL-KECDRRIQSA-N	373.250	3.289	30	40	FGEB	
C=CCCn1cc(C(=O)N2CCCc3c([nH]c4c(F)cccc34)C2)nn1	579944267	JXWZKXNLOHCMNN-UHFFFAOYSA-N	353.401	3.063	30	40	FGEB	
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccccn3)n2)cn1	585293005	BQTFHVKFMKGHHG-LJQANCHMSA-N	357.421	3.219	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1	1775965564	DBKOVMGIIUJCFU-UHFFFAOYSA-N	362.433	3.157	30	40	FGEB	
C=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21	2436696	NZVUUDIKFLEQDP-UHFFFAOYSA-N	370.459	3.247	30	40	FGEB	
CCC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCCC3)CC1	20572882	UOOFQHNNWKDXDU-UHFFFAOYSA-N	364.449	3.151	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC	8496498	UQNHAZJWHWHYDV-KRWDZBQOSA-N	368.433	3.407	30	40	FGEB	
CCCc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(C#N)c3)ccc12	21224479	GPVHVUVSNKCTSX-UHFFFAOYSA-N	369.398	3.385	30	40	FGEB	
N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CCCCC2	32981866	GJYVUVSJQKWRHF-UHFFFAOYSA-N	367.430	3.435	30	40	FGEB	
CCn1cc(/C=N/N2CC(O)=C(c3nc4ccccc4s3)C2=N)c(C)n1	102721157	BVKQXXIWHFBZTR-WJWAKDHPSA-N	366.450	3.417	30	40	FGEB	
CC1(C)CC(=O)C(=NNc2cc([N+](=O)[O-])ccc2Br)C(=O)C1	949290	UBCWWLHHCBSCSQ-UHFFFAOYSA-N	368.187	3.083	30	40	FGEB	
N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccco1)N1CCOCC1	27795052	PVICCSGYWBTXGO-AWEZNQCLSA-N	370.434	3.353	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)O	12610348	POSPUCADEWJXCE-ONNFQVAWSA-N	355.390	3.121	30	40	FGEB	
CCOC(=O)[C@@H](/C=N/OC)Sc1ncc(C(F)(F)F)cc1Cl	5247483	AMVZWIUFMNUGCF-GIGVHJDUSA-N	356.753	3.410	30	40	FGEB	
N#Cc1c(O)nc(SCC(=O)NC2CCCCC2)nc1-c1ccccc1	18094133	ZSGLLXABAVYSMG-UHFFFAOYSA-N	368.462	3.262	30	40	FGEB	
COc1ccc([C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C2CC2)cn1	527996784	QWOXRNIXKSORFG-GOSISDBHSA-N	354.385	3.051	30	40	FGEB	
C=CCc1cc(C(=O)NCc2nc(-c3cccs3)no2)ccc1OC	78579442	BYDGKDNGFHFCCD-UHFFFAOYSA-N	355.419	3.465	30	40	FGEB	
N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1	610182839	ARXMJPVDLUOGOA-MRXNPFEDSA-N	353.809	3.137	30	40	FGEB	
N#Cc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1	5387538	HVUCHTMBYMSTOR-UHFFFAOYSA-N	353.363	3.074	30	40	FGEB	
C=C(C)CN1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1	19016189	JPUSYNYBQCTWLO-UHFFFAOYSA-N	373.460	3.026	30	40	FGEB	
COc1cccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1OC	2272220	RJVOICKGYKEMGD-UHFFFAOYSA-N	363.229	3.153	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccccc2)sc2cc(OC)c(OC)cc21	101035525	NMJGTSUIXGBVPJ-VXPUYCOJSA-N	352.415	3.094	30	40	FGEB	
C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	101231792	TWEQVSYRBCBMNB-HVESIFNPSA-N	364.357	3.203	30	40	FGEB	
CC(=O)/N=C1\O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccccc1)O3	100257632	UFXCQVZKTDBYFB-MJVHZXJASA-N	374.400	3.163	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	794992	SZWWBNLWNZJLQP-MAUKXSAKSA-N	367.401	3.345	30	40	FGEB	
CCOP(=O)(OCC)[C@@H](N/C=C/C(=O)C(F)(F)F)C(F)(F)F	4864127	KOACMJYRHRQUGR-HQZHTGGTSA-N	357.187	3.376	30	40	FGEB	
COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(OC)c1	958086	WANMUFBJQLJHJL-UHFFFAOYSA-N	367.430	3.030	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1	55540906	YPWLRFYSYQPVEZ-IBGZPJMESA-N	367.424	3.299	30	40	FGEB	
COc1ccc([C@@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@@H]3O)cc1	104076785	SMSNOVVIVRBCOU-MHTWAQMVSA-N	370.401	3.278	30	40	FGEB	
CC(=O)c1ccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c(F)c1	12534709	MBDCOTHGZILRQW-UHFFFAOYSA-N	352.413	3.238	30	40	FGEB	
COc1ccc([C@@H]2CCCN2CC(=O)NC2(C#N)CCCCC2)cc1OC	45004601	HVRYEOWJOWPTFT-KRWDZBQOSA-N	371.481	3.183	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COc1ccc(-c2nnco2)cc1	3408399	NPSPSQKTYFNMRP-UHFFFAOYSA-N	366.402	3.370	30	40	FGEB	
C[C@H](Sc1nnc(NC2CC2)s1)C(=O)N(C)C1(C#N)CCCCC1	14093713	WFUSNUMEUHJBNT-NSHDSACASA-N	365.528	3.278	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1	14333396	QGEUVTDRFLLKTQ-FYCOFBDGSA-N	361.496	3.183	30	40	FGEB	
O=C(/C=C/c1cc(O)c(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1	8054984	JUVRTPNXEMVFCC-LZCJLJQNSA-N	359.809	3.484	30	40	FGEB	
O=[N+]([O-])c1ccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1	409095356	HGFVZFXSIVUIMT-WOJGMQOQSA-N	352.310	3.135	30	40	FGEB	
CC(C)(C)OC(=O)N1[C@H]([C@H](C#N)N(O)Cc2ccccc2)COC1(C)C	3849354	AUVZTNYIAOHGAQ-HOTGVXAUSA-N	361.442	3.142	30	40	FGEB	biogenic
O=C1COc2ccc(C(=O)/C=C/c3cc(Cl)c4c(c3)OCO4)cc2N1	7333734	OJCHPLCVDQTHTR-HNQUOIGGSA-N	357.749	3.296	30	40	FGEB	
CCc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2c2ccccc2)cc1	4538105	MDXLYKCNRPGZDS-NIVDNSEKSA-N	374.487	3.462	30	40	FGEB	
Cc1sc(NC(=O)CCCS(=O)(=O)c2ccccc2)c(C#N)c1C	10218392	IWDPKKVADJFBHN-UHFFFAOYSA-N	362.476	3.429	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1	22803489	YMJDHDKIGXPWFJ-UHFFFAOYSA-N	361.371	3.311	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(F)ccc21	100875349	SZGYEXDRXMFPCA-ZPHPHTNESA-N	355.350	3.124	30	40	FGEB	
C[C@@H](CC#N)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl	50336828	YBJJXLFAKCYJCB-LURJTMIESA-N	372.071	3.336	30	40	FGEB	
O=C(Nc1ccc(Cl)cc1)C(=NO)C(=O)Nc1ccc(Cl)cc1	1410195	ISIPZSVWTZWCSO-UHFFFAOYSA-N	352.177	3.401	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)NC3(CCC(C)CC3)C2=O)cc1	3580882	RINOXDONBILGHW-KGENOOAVSA-N	356.470	3.367	30	40	FGEB	
C=CCSc1nnc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1CC	6176631	INPMZWOFIHNTJH-UHFFFAOYSA-N	373.869	3.442	30	40	FGEB	
C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1cccc([N+](=O)[O-])c1	4712959	XBDGCVGGKGPMCW-DORSJAEJSA-N	368.418	3.149	30	40	FGEB	
COc1cccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c1O	19901431	UJHCJSPGCTUIKK-HMAPJEAMSA-N	353.466	3.169	30	40	FGEB	
CCOC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1	408932405	WUCLXMIRXCTWHG-PXLXIMEGSA-N	368.433	3.216	30	40	FGEB	
Cc1ccc2nc(SCCOc3ccc(C#N)cc3)n(C)c(=O)c2c1	48332557	NKJNFSLNYBWVLW-UHFFFAOYSA-N	351.431	3.285	30	40	FGEB	
C[C@H](/N=C(/O)CN1CCC=C(c2ccccc2)C1)C(=O)N1CCCCC1	328911154	NYUCFDOFYUROKC-KRWDZBQOSA-N	355.482	3.133	30	40	FGEB	
Cc1nc([C@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)n[nH]1	588235774	NRMOQJKMTOJJCI-NSHDSACASA-N	363.381	3.055	30	40	FGEB	
CCOC(=O)c1c(C)nc2c(cnn2-c2ccccc2)c1/N=C/N(C)C	1740816890	ZMUQPSFFNCFLOK-UDWIEESQSA-N	351.410	3.127	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C\C3=CC[C@H]4C[C@H]3C4(C)C)C2=O)cc1	585139658	WLTAYVJOTRVOHA-XHQYGUDRSA-N	367.449	3.440	30	40	FGEB	
N#Cc1ccc(NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1	56515085	OCNMZIKNZURZCW-UHFFFAOYSA-N	358.401	3.090	30	40	FGEB	
O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(Cl)cc1	1393066	YVCIRWXAYDOZNO-FOWTUZBSSA-N	355.824	3.140	30	40	FGEB	
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1O	5668003	QFLRQIULGJWCJA-LPYMAVHISA-N	357.369	3.357	30	40	FGEB	
C=CCc1ccccc1OC[C@H](S)CN1CCN(c2ccccn2)CC1	5818408	SIOUIHMXIMHZLU-LJQANCHMSA-N	369.534	3.310	30	40	FGEB	
COc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1OC	4380225	CRAMPVXPLGTFLV-FYJGNVAPSA-N	374.404	3.279	30	40	FGEB	
C/N=C1/S[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C	102401966	NYIFUFFIKGZIDL-ZBBYCGENSA-N	369.446	3.367	30	40	FGEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1OC	102800968	DAUCMCJRHJUMPW-SELCWUDQSA-N	367.401	3.064	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@H](C[C@@H](C)SCC)[C@@H](C(=O)OCC)C1=O	104423955	GDYKIPWWXDATPK-POYNUWCTSA-N	369.527	3.129	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c1	3309370	YDYFMUQSJWYZLN-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
O/N=C1/[C@H]2CC[C@H](C2)[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1	100971178	QEZLACWEDHEKLF-CARHHNPPSA-N	353.388	3.456	30	40	FGEB	
O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)C1=Cc2ccccc2CC1	58035536	FTBLLGFREQEDOV-UHFFFAOYSA-N	357.387	3.037	30	40	FGEB	
C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1	28290198	LBFIZKSTSAHDRB-QGZVFWFLSA-N	360.479	3.243	30	40	FGEB	
CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnnn1-c1ccccc1	13658374	MRMYBJXVJCVZRF-XDJHFCHBSA-N	372.841	3.422	30	40	FGEB	
C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CCOc1ccc(Cl)cc1	7267513	SIPKGAFWAQAQAA-OAHLLOKOSA-N	363.889	3.382	30	40	FGEB	
O=C(Cn1cc(/C=N\c2cccc(F)c2)c2ccccc21)N1CCOCC1	408859740	ZEJAMQLMGWTNQY-QRVIBDJDSA-N	365.408	3.390	30	40	FGEB	
C=C(C)CN1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccccc1OC	9379164	UDMIRMQIWOHFPM-SFHVURJKSA-N	365.433	3.427	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@H]3c4ncc(-c5ccncc5)n4CC[C@H]3C2)cc1	306141601	WBUWTWPEAVGOSF-RBUKOAKNSA-N	369.428	3.076	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1ccc2c(c1)OCCO2	12389305	FLAQSRVINDCESU-INIZCTEOSA-N	368.393	3.063	30	40	FGEB	
C=CCN1CCCC12CCN(C(=O)c1ccnc(C(F)(F)F)c1)CC2	2055822705	JSTZEKJBTWVOOA-UHFFFAOYSA-N	353.388	3.357	30	40	FGEB	
Cc1n[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1	11708148	UQOAPGRASYMQFN-SECBINFHSA-N	361.496	3.435	30	40	FGEB	
Cc1ccc(C)c(N2N=C(C(=O)N(C)c3cccc(C#N)c3)CCC2=O)c1	60083871	UMHKITBHOFJHRV-UHFFFAOYSA-N	360.417	3.321	30	40	FGEB	
CCOC(=O)C1=C(C)Nc2c(C#N)c(C#N)c(OC)n2[C@H]1c1ccccc1	1298645	LXWWLYIBTUJIPQ-KRWDZBQOSA-N	362.389	3.092	30	40	FGEB	
C=CCn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21	1414833	XACPACAJIKVBKA-SFQUDFHCSA-N	353.447	3.130	30	40	FGEB	
C=CCN1[C@@H](Cc2c[nH]c3ccccc23)[C@@H](O)c2ccccc2S1(=O)=O	13690133	MRHIHQSQKKLKOP-ICSRJNTNSA-N	368.458	3.003	30	40	FGEB	
C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1	48149435	MIPPPQVCMGKNFH-KRWDZBQOSA-N	351.406	3.248	30	40	FGEB	
N/C(=N\S(=O)(=O)c1ccc2ccccc2c1)Nc1nc2ccccc2o1	2656400	UABFCBNESSHLDD-UHFFFAOYSA-N	366.402	3.097	30	40	FGEB	
CSc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1N	40018222	VIPKPMLGDSZCCS-NSHDSACASA-N	355.419	3.046	30	40	FGEB	
N#Cc1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1	59842453	HGYZKYSGSNVPGU-CQSZACIVSA-N	367.459	3.464	30	40	FGEB	
CN1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccc(N2CCOCC2)cc1	101631962	SDLRKEOANMGCQU-CJGMICOPSA-N	369.446	3.350	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccccc2C)c(OC)c1	7602035	KJRXBUMICMEEHY-UHFFFAOYSA-N	365.437	3.367	30	40	FGEB	
C#CCOc1cccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1	100148622	MSUPATHWOSMUIZ-SFTDATJTSA-N	362.473	3.213	30	40	FGEB	
COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C(C)C)C(C)C)c1	22145556	JRHTUXFRWLWMEZ-LJQANCHMSA-N	374.481	3.098	30	40	FGEB	
CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(C2CCCC2)C(C)=C1C(C)=O	12419563	QALRTRHMTRZCAP-KRWDZBQOSA-N	374.403	3.242	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1	23702283	BBFGUDGSNZJDQM-UHFFFAOYSA-N	367.880	3.489	30	40	FGEB	
Cc1occc1C(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1	48368787	VUBWHNLPDJACPE-UHFFFAOYSA-N	354.366	3.085	30	40	FGEB	
Cc1ccccc1C(=O)N[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1)C(C)C	48404426	GNNDILCEUGJYIC-QGZVFWFLSA-N	374.462	3.095	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O	4699418	UVBBVXIUZRHJEY-NTEUORMPSA-N	372.764	3.377	30	40	FGEB	
Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1	8881653	ROTBMUJDSMHHIB-UHFFFAOYSA-N	352.394	3.468	30	40	FGEB	
COc1cc(/C=N/Nc2nc(C)cc(C)n2)cc(Br)c1O	4880033	UKRGIPPRWRDHMN-FRKPEAEDSA-N	351.204	3.016	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cccc(C)c21	9872681	ASSNMMUZBZBAGZ-QFIPXVFZSA-N	365.429	3.273	30	40	FGEB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/Sc4ccccc4C3=O)cc21	408532029	NCQOFPLVMACYIC-LZYBPNLTSA-N	367.386	3.115	30	40	FGEB	
CN(CCCc1n[nH]c(N)c1C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	95460811	HRRCAUNLFUAMFA-UHFFFAOYSA-N	367.240	3.267	30	40	FGEB	
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C	47454310	MNOUETKFQXZHSS-UHFFFAOYSA-N	374.462	3.029	30	40	FGEB	
O=C1CS/C(=N/S(=O)(=O)c2ccc(Cl)s2)N1c1ccccc1	100975546	MKPHRCQQKSJNFK-FYWRMAATSA-N	372.880	3.226	30	40	FGEB	
O=C(N/C=N/O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl	3125350	OQONZUMJEVBWCD-GFCCVEGCSA-N	357.719	3.419	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1OC	48364451	FDTUYECACRMBTQ-UHFFFAOYSA-N	370.405	3.368	30	40	FGEB	
CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)cc1	3433991	NFFPLBSLDWTHSZ-UHFFFAOYSA-N	358.239	3.391	30	40	FGEB	
COc1cc(/C=N/n2c(S)nnc2-c2ccco2)ccc1OC(F)F	8340300	HRDUJNWVDVXGLZ-QGMBQPNBSA-N	366.349	3.319	30	40	FGEB	
C[C@@H](/N=C1\SCCN1C(=O)c1ccc(NC(N)=O)cc1)c1ccccc1	7654749	FMOWUNHSCMZGOC-IUXHBZJFSA-N	368.462	3.483	30	40	FGEB	
CCCCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	71844460	OTKIRTXASDXEGK-MRXNPFEDSA-N	372.513	3.088	30	40	FGEB	
CCOC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218469903	XZIFXFOCGAOULE-QYZOEREBSA-N	359.422	3.312	30	40	FGEB	
CO/N=C(/C(=S)Oc1nc2ccccc2s1)c1csc(N)n1	32098680	WRTVTCFELAEIEQ-LICLKQGHSA-N	350.450	3.092	30	40	FGEB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cn[nH]c2)n1	585295088	ZQAKCVGAAXWRMH-IBGZPJMESA-N	374.452	3.246	30	40	FGEB	
CCCCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1	72312088	DBJKFSVMHMOXRU-QGZVFWFLSA-N	373.440	3.346	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cccc(N3CCCC3=O)c2)s1	18081343	WCVSHEYUNIJVNM-UHFFFAOYSA-N	360.464	3.195	30	40	FGEB	
CCOC(=O)COc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2	12324431	SWBSHHPKILVUDH-UHFFFAOYSA-N	356.378	3.006	30	40	FGEB	
C=CCOc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	1805169	GTAVCYQYLMNDPF-KAMYIIQDSA-N	363.460	3.317	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCCc3ccccc3)C(=O)O[C@@H]1C2	4028527	UOTBPNDDJMUPDN-NGJIECEZSA-N	369.505	3.346	30	40	FGEB	biogenic
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccccc1F	408527937	AJXAUIXDCWZOTL-LBPRGKRZSA-N	359.744	3.081	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)[C@H]2C[C@@H]2c2cccc(C#N)c2)cc1	83146695	PGLNNOBBESCBQX-SJORKVTESA-N	356.403	3.016	30	40	FGEB	
COc1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccccc3C)S2)cc1	4906339	ZMAFHOLZYIUUKU-BRLDDBHUSA-N	353.447	3.168	30	40	FGEB	
CCSc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1	215762754	QNJHCNCYQSTROV-UHFFFAOYSA-N	365.509	3.264	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)Nc2cccc(CN3CCC(O)CC3)c2)c1	75104613	KVNVDZQFHOEIQV-BQYQJAHWSA-N	361.445	3.167	30	40	FGEB	
CCOC(=O)Cc1csc(N/N=C\c2ccc(Br)cc2)n1	31850103	QMAGHQDHLXFRAG-PXNMLYILSA-N	368.256	3.457	30	40	FGEB	
CCc1ncsc1N=C(O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C	328932559	PFAKIAFTQLWQBU-MLGOLLRUSA-N	373.482	3.169	30	40	FGEB	
COc1ccc(CNC(=S)Nc2ccc(CC#N)cc2)c(OC)c1OC	225525877	CEDBXCJCYCJVDC-UHFFFAOYSA-N	371.462	3.265	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224896582	GQJVOPPGCMQRQD-UHFFFAOYSA-N	369.446	3.092	30	40	FGEB	
N#Cc1ccc(OC2CCN(C(=O)c3nc4ccccc4s3)CC2)nc1	90607637	FVTLGGLVKJCHRO-UHFFFAOYSA-N	364.430	3.247	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Br)c1	14164872	UQHXWTKCBDKFAA-VFZGTOFNSA-N	359.227	3.309	30	40	FGEB	
N#CCCN(CCC#N)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2	40071348	NYZTWCYOSWVQQK-UHFFFAOYSA-N	355.401	3.335	30	40	FGEB	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2	103373075	RCUGBORJCURMEI-LVFSCSRESA-N	352.482	3.111	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2ccccc2F)c1	2240483	WSVHFYSDSGSFRO-WSDLNYQXSA-N	373.453	3.397	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	5163558	SZPASJNZFQCSNJ-GZTJUZNOSA-N	367.814	3.259	30	40	FGEB	
C=CCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(=O)OC)n1	8916256	UYNVWCZIFJYEIE-UHFFFAOYSA-N	363.826	3.447	30	40	FGEB	
CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCO2	7640831	XEKVCYPIJZAWFM-UHFFFAOYSA-N	357.797	3.011	30	40	FGEB	
CN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C(=O)O)cc1	409064579	DJZDWXAXMUHKRG-PPVAIKJXSA-N	354.387	3.324	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O	409280033	JDROOJCCRCSPKG-UHFFFAOYSA-N	358.195	3.055	30	40	FGEB	
N#Cc1cccnc1N1CCC(CNC(=O)c2c(F)cccc2Cl)CC1	70929186	BRDIKWJWSZNGCV-UHFFFAOYSA-N	372.831	3.392	30	40	FGEB	
N#Cc1cccc(-n2ccc(-c3nc(-c4n[nH]c5ccccc45)no3)n2)c1	565979913	RBWKEHCUHTWNFX-UHFFFAOYSA-N	353.345	3.337	30	40	FGEB	
C#CCOc1c(C(=O)OC)sc(Br)c1Br	96511042	FLYBDXGLGYELPZ-UHFFFAOYSA-N	354.019	3.072	30	40	FGEB	
C[C@@H]1CCCCN1c1nc(O)c2c(n1)NC(=O)[C@H](C#N)[C@H]2[C@@H]1CC=CCC1	253619861	GXNCZYQSDDZJRI-KBUPBQIOSA-N	367.453	3.093	30	40	FGEB	
Cc1nnc(N2CCc3c(F)ccc(Br)c3C2)c(C#N)c1C	590704310	ODVUSYABOGOCCW-UHFFFAOYSA-N	361.218	3.429	30	40	FGEB	
CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O	5423829	GCPCQGFKPFLVPN-UHFFFAOYSA-N	374.348	3.405	30	40	FGEB	biogenic,in-vitro
CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OCC)c(OC)c3)c2C1	18241836	ZLBHOXSILKVEAU-UHFFFAOYSA-N	366.465	3.378	30	40	FGEB	
CCN1C[C@@H](CN(C)c2ccc(C#N)cc2[N+](=O)[O-])Oc2ccccc21	32806412	WWEUAZONLKFRPV-OAHLLOKOSA-N	352.394	3.190	30	40	FGEB	
COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	106498410	ALOYVLCVDUJCRB-UWVJOHFNSA-N	352.749	3.313	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccccc1OC	12796252	KOUVUJOCMTYWAR-CQSZACIVSA-N	354.406	3.222	30	40	FGEB	
Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N	5182965	KWEZSNNAJPXQPG-UHFFFAOYSA-N	352.825	3.252	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	222488434	FFRJRVSCSJRNDF-IVEVPLLNSA-N	370.836	3.126	30	40	FGEB	
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCc4ccccc43)C2)n1	81808613	MOYMQNBXVMCTSF-LJQANCHMSA-N	360.461	3.458	30	40	FGEB	
N#C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	242620182	PWULOKMHANZEPC-XYPHTWIQSA-N	361.806	3.148	30	40	FGEB	
C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)=C2CCCC2)C1	1775992840	WASMGRKMYVNZBI-ZWKOTPCHSA-N	360.473	3.427	30	40	FGEB	
CCOc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3c(CC)cccc23)cc1	3526860	XLVBDMXVZOEYRY-FYJGNVAPSA-N	371.462	3.441	30	40	FGEB	
C=CCN(Cc1ccccc1)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12	101214218	IZTFWUKVCIPUNH-UHFFFAOYSA-N	358.401	3.004	30	40	FGEB	
C=CCN(C(=O)Cn1ccc(C(F)(F)F)n1)c1nc2c(s1)CCCC2	32966770	HCRBPUJCMQHSKS-UHFFFAOYSA-N	370.400	3.456	30	40	FGEB	
COc1ccc(/C(C)=N/Nc2nc3ccccc3n3cnnc23)cc1OC	4793013	FARMJBPCTNAMEC-WSDLNYQXSA-N	362.393	3.131	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1	18154721	CJYIFCYCGUJIAI-CYBMUJFWSA-N	368.462	3.087	30	40	FGEB	
COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1	7266267	KKYFTQCUQSJXRK-AWEZNQCLSA-N	353.422	3.034	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)cc1	7989671	LALJLDYJCSVHMZ-UHFFFAOYSA-N	360.822	3.486	30	40	FGEB	
COc1cccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1	85409114	NFCGSWHBXIUDTL-MRXNPFEDSA-N	360.373	3.118	30	40	FGEB	
C#CCNC(=O)[C@@H]1Cc2cn(CC#CC)c3cccc(c23)[C@H](CC(C)C)N1	49171738	QHYVZOYHXSJQQI-PMACEKPBSA-N	361.489	3.016	30	40	FGEB	biogenic,in-vitro
C#CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21	250946770	IVSYEXOBRLTBIP-HOKRVXKHSA-N	371.440	3.114	30	40	FGEB	
Cc1c(C(=O)O)oc2c1/C(=N/NC(=S)NCCc1ccccc1)CCC2	585145717	RYMCLJAKXMWMIK-KGENOOAVSA-N	371.462	3.033	30	40	FGEB	
OC/C(I)=C/[C@](F)(OC(F)(F)F)C(F)(F)F	16159363	FXPCHKRRLLUOSG-HNHRSYQESA-N	367.986	3.062	30	40	FGEB	
N#CCOc1ccc(NC(=O)Cc2csc(Cc3ccccn3)n2)cc1	40130663	UXNNFGXKWKISHZ-UHFFFAOYSA-N	364.430	3.212	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)CCSc2ccc(F)cc2)c1	6432170	AKDSSGXLFDFNCC-UHFFFAOYSA-N	358.394	3.361	30	40	FGEB	
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C	651367	GYZIAUTWYDMOOF-INIZCTEOSA-N	355.434	3.485	30	40	FGEB	
N#Cc1c(F)cccc1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	54124363	MNEZVXNJTJWKNV-HNNXBMFYSA-N	352.413	3.011	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2C(=O)CCC2=O)cc1	58201226	LEEFEYLGDVTPIL-UHFFFAOYSA-N	366.392	3.308	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21	2203364	JPZSTJMPCQQZRN-UZYVYHOESA-N	368.393	3.336	30	40	FGEB	
COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21	9484310	MPDCINNACSVBEL-BLVKFPJESA-N	362.389	3.295	30	40	FGEB	
Cc1cc(C)cc(NC(=O)C[C@H]2S/C(=N\N=C3CCCC3)NC2=O)c1	5442360	NREOKTWUIYVQHZ-OAHLLOKOSA-N	358.467	3.150	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)CCCC1	7763697	WFKHOJSBQDVEFS-UHFFFAOYSA-N	373.507	3.386	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2C1=O	9957644	GLMVGDGWPLPZTP-LJQANCHMSA-N	360.413	3.446	30	40	FGEB	
CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218043610	KHUFKDXTQUJARO-HBFSDRIKSA-N	369.442	3.008	30	40	FGEB	
N#C[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	218178626	PWULOKMHANZEPC-COXVUDFISA-N	361.806	3.148	30	40	FGEB	
C=CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(COC)nn2c1C	40372728	OBECLHVGPPIXQU-UHFFFAOYSA-N	372.812	3.242	30	40	FGEB	
Cc1cccc(C[C@H]2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)c1	19790480	CTYMNRVYFXAORD-LZAZYHHXSA-N	366.490	3.225	30	40	FGEB	
Cc1ccnc2nc(C(=O)Nc3cccc(C#Cc4cccs4)c3)nn12	40050728	JMKMIBWCWHJODN-UHFFFAOYSA-N	359.414	3.146	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(Cl)cc1	3433414	FYWOCBNRZRDGQB-ZDUSSCGKSA-N	370.840	3.109	30	40	FGEB	
CN1CCN(c2nc(-c3cn(CCC#N)c4ccccc34)cs2)CC1	12516942	BGVGJKJLLSGIBL-UHFFFAOYSA-N	351.479	3.430	30	40	FGEB	
CN(C)CCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N	2199269	ZXKRJNLHDKMEPP-UHFFFAOYSA-N	355.225	3.406	30	40	FGEB	
CCCCCOC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1	5238254	KRGPMNIJPKZKEZ-UHFFFAOYSA-N	357.435	3.134	30	40	FGEB	
C/N=C1\S/C(=C\c2cc(Br)c(N3CCCC3)o2)C(=O)N1C	408857987	OMTIQYOUUIHDIF-GGYZLSAUSA-N	370.272	3.174	30	40	FGEB	
COC(=O)c1cccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c1C	409014395	PKRCMTWWTALRBA-PUFAJPFRSA-N	371.389	3.393	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	44884995	YPKYDJUMSCLZEV-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2ccc(OCC)cc2)s1	222864744	OHMKVCCAQBTNHB-UHFFFAOYSA-N	357.482	3.016	30	40	FGEB	
CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1ccccc1=O	98045054	HJEWIXNVVIWWLH-LJQANCHMSA-N	372.440	3.498	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)Cc3ccc(F)cc3F)CC2)OC1(C)C	1776000381	YXFJFQXZQHQPNW-UHFFFAOYSA-N	363.213	3.297	30	40	FGEB	
CC(=O)N1CCN(c2oc(/C=C/c3ccc(Cl)cc3)nc2C#N)CC1	21799608	GMVHJKKAJFJIFW-QPJJXVBHSA-N	356.813	3.039	30	40	FGEB	
N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1	49581344	VZIGIQSQVLODKR-OAQYLSRUSA-N	356.429	3.257	30	40	FGEB	
O=S(=O)(/N=C(\O)COC1CCCCC1)c1ccc(F)c2ncccc12	64358419	TULBWXOFIDQRBK-UHFFFAOYSA-N	366.414	3.368	30	40	FGEB	
CC1(C)CCC[C@](C)(C#CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1	19933928	MSFIGTAAZXPDHC-OAQYLSRUSA-N	371.481	3.458	30	40	FGEB	
N#Cc1cc2c(N)c(C(=O)N[C@H]3CCCc4ccccc43)sc2nc1N	32932321	PZIVVPRONIKNDT-AWEZNQCLSA-N	363.446	3.140	30	40	FGEB	
Cc1nc(C[C@H]2CCCN(/C(O)=N/CCc3cccc(F)c3F)C2)no1	329470048	YMXPVBXSVKBHTI-CYBMUJFWSA-N	364.396	3.067	30	40	FGEB	
C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1)C(=O)O	13361735	MMPNIVJRXMINCD-DRQXCOHGSA-N	354.358	3.206	30	40	FGEB	
C=CCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC	7504838	GABZVCOYKVOBON-UHFFFAOYSA-N	366.461	3.395	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCCC2)nc1	24148570	ZIHADTOUIDHBIX-OAHLLOKOSA-N	350.422	3.350	30	40	FGEB	
C=CCn1c(SCc2ccc(C(N)=O)cc2)nc2ccsc2c1=O	12646007	UUOBTSCCOUCDNJ-UHFFFAOYSA-N	357.460	3.035	30	40	FGEB	
CCCN(Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(F)cc1	10849986	YJYXVXKGGGCJBZ-UHFFFAOYSA-N	350.390	3.437	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(O)n[nH]c1N2	18195623	ZQDLAGWGVPQPED-LBPRGKRZSA-N	360.211	3.442	30	40	FGEB	
O=C(O)c1cc(/N=C\c2ccccc2I)ccc1O	408551991	QQNODTYHOCIHMI-PXNMLYILSA-N	367.142	3.446	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1	8883112	ZRBMRTSPMNYVPI-UHFFFAOYSA-N	361.430	3.373	30	40	FGEB	
Cc1nc(CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1	79143414	ZLHBVZYJDGZGNQ-UHFFFAOYSA-N	362.480	3.452	30	40	FGEB	
CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2c(Cl)cccc2C#N)C1	548334572	WOCIIVRIQGYCGG-QGZVFWFLSA-N	360.870	3.218	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	225652518	QPBVBOSGUGRZNH-KZNAEPCWSA-N	361.850	3.090	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)C#N)cc1	252516542	TZOXLYWSBQZBJQ-KURKYZTESA-N	360.866	3.063	30	40	FGEB	
C[C@H]1C[C@@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn21	1776007758	WFBDMZOCBGIXFH-DZGCQCFKSA-N	374.294	3.157	30	40	FGEB	
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2cccc(Cl)c2)cc1	5546477	NPGNMJHIWMJDHZ-SFQUDFHCSA-N	367.840	3.410	30	40	FGEB	
C=CCNC(=O)[C@H](C)N1CCC(CCc2cc(OC)cc(OC)c2)CC1	21396512	SSIRNIFCJMIHOZ-INIZCTEOSA-N	360.498	3.039	30	40	FGEB	
CN(C)c1ccc(/N=N\c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1	100049460	IBOVDNBDQHYNJI-MRCUWXFGSA-N	366.377	3.389	30	40	FGEB	
N#CC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCCCC1	29300219	YWUAVOYQFDCYCP-UHFFFAOYSA-N	350.344	3.398	30	40	FGEB	
C=CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	3364888	IGCIRFNMWWKPET-KRWDZBQOSA-N	372.490	3.049	30	40	FGEB	
CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3OC)NC2=O)cc1	6709050	CABQQNRADOCKHE-KOMLCTQHSA-N	367.474	3.422	30	40	FGEB	
O=C(NCC#CCN1CCc2ccccc2C1)c1c(F)cccc1Cl	70641604	RSGZRQSJEPPLOD-UHFFFAOYSA-N	356.828	3.271	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21	250521691	LRRKHDQFQNOZJZ-YBSAJQQWSA-N	359.429	3.358	30	40	FGEB	
C=CCOc1ccc(/C=N/Nc2nc3ccccc3nc2O)cc1OC	16692798	HXVNJJDQAZOSNJ-UDWIEESQSA-N	350.378	3.355	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3)S2)c(OC)c1	5376332	PHXJGLVEJWXNSU-SXGWCWSVSA-N	356.403	3.301	30	40	FGEB	
C=CCn1c(SCC(N)=O)nc2scc(-c3ccc(C)cc3)c2c1=O	1465520	DFLOXBKSGCEMCY-UHFFFAOYSA-N	371.487	3.197	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccc(F)c2)no1	102803030	HXYBHXATMABPFL-IBOXJLQUSA-N	368.320	3.341	30	40	FGEB	
CCc1nnc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)s1	1079123	QOOFVDQZWNNHIO-UHFFFAOYSA-N	373.507	3.285	30	40	FGEB	
CCCCCCCCNC(=S)N/C=C1/C(=O)Oc2ccccc2C1=O	104300860	ZKZJJIHFIJUTMC-FYWRMAATSA-N	360.479	3.497	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1	58226596	MLJUPLQZLXISBO-ZHACJKMWSA-N	356.429	3.182	30	40	FGEB	
CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1	2248647	ROTFREVWYGKFJH-MRXNPFEDSA-N	365.481	3.390	30	40	FGEB	
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1	6002241	OSEALNIFOVQFRH-AWEZNQCLSA-N	353.447	3.446	30	40	FGEB	
C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2cc(Cl)ccc21	6659681	CVYUKYDXESWZEH-HXUWFJFHSA-N	371.820	3.342	30	40	FGEB	
Cc1cccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)c1	4838384	PTHACRSJXAPDQB-QGZVFWFLSA-N	373.507	3.491	30	40	FGEB	
CCOc1ccccc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O	9420000	FFVDJUINJQDFJT-YVLHZVERSA-N	360.387	3.040	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCCC2)cc1	225859556	JEJJBGKHCWXRHQ-UHFFFAOYSA-N	350.466	3.244	30	40	FGEB	
Cc1ccc(COc2ccccc2/C=C/C(=O)ON2C(=O)CCC2=O)cc1	97942945	XAWNSDNXPHDXOL-JLHYYAGUSA-N	365.385	3.194	30	40	FGEB	
S=C(NCCc1ccccc1)N/N=C/c1ccccc1Br	3239551	CIEBLTMBESKEIN-XDHOZWIPSA-N	362.296	3.490	30	40	FGEB	
CC(C)C(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1	12220077	PDJPMYZXUKDNIO-UHFFFAOYSA-N	353.466	3.257	30	40	FGEB	
CC(C)(C)c1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc(C2CC2)n1	1888844318	CMDCBOQFDUJJQK-UHFFFAOYSA-N	362.481	3.245	30	40	FGEB	
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	12321132	BRXKFQWQMDMCAH-MRXNPFEDSA-N	370.409	3.309	30	40	FGEB	
N#Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1	40080316	ZYJWCDYRFBDXJU-GOSISDBHSA-N	363.465	3.172	30	40	FGEB	
COc1ccc(/C=N\Nc2nnc3c(n2)[nH]c2c(C)cccc23)cc1OC	33154921	BIHJUMAJPQVXRD-JMIUGGIZSA-N	362.393	3.278	30	40	FGEB	
C[C@@H]1C[C@H]1C(=O)Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1	53527228	PSBLFVYATXGRKG-BXUZGUMPSA-N	362.393	3.098	30	40	FGEB	
Cc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)no1	835971	NNTDTSLSEIGTAQ-WOJGMQOQSA-N	357.391	3.240	30	40	FGEB	
CCOC(=O)/C(=N/C[C@@H]1CCCO1)NNc1cc(Cl)ccc1Cl	3178990	NIEBMPFPTGZEDD-NSHDSACASA-N	360.241	3.051	30	40	FGEB	
COCCCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N	8378590	LPBORNDLDKJJSK-VOTSOKGWSA-N	373.409	3.191	30	40	FGEB	aggregator
CN1C(=O)CS/C1=N\c1ccn(Cc2ccc(Cl)cc2Cl)n1	13960895	ZFAQBCOZOJXQES-VKAVYKQESA-N	355.250	3.431	30	40	FGEB	
O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(N2CCOCC2)o1	408864624	XOVBZTWUVVTZSB-PTNGSMBKSA-N	373.409	3.147	30	40	FGEB	
CCc1ccc(Cl)c(CC)c1NC(=O)Cn1nc(C)c(C)c(C#N)c1=O	29502395	QRHCHXNZBDDTFL-UHFFFAOYSA-N	372.856	3.149	30	40	FGEB	
N#Cc1c(CCCNC(=O)C2CCCCC2)nn(-c2ccc(F)cc2)c1N	31778747	QXRRLEDILWTILM-UHFFFAOYSA-N	369.444	3.094	30	40	FGEB	
CC(C)C[C@@H](/C(O)=N/c1nc(C2CC2)n[nH]1)N1Cc2ccccc2C1=O	95473347	ZNWIWKIIFVUTPF-HNNXBMFYSA-N	353.426	3.341	30	40	FGEB	
N#CC1(Cc2nc(-c3ccc(I)cc3)no2)CC1	590267180	JJJDUJVTLHZSDH-UHFFFAOYSA-N	351.147	3.187	30	40	FGEB	
Cc1cc(C)cc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)c1	1775976462	MYTOBESUPMWNQD-UHFFFAOYSA-N	351.410	3.441	30	40	FGEB	
C=C(C)COc1cccc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1	12117030	VUXRWALIFWWKHQ-QIDMFYOTSA-N	367.493	3.390	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	56207188	XAIOAQYPYHCPNR-LSDHHAIUSA-N	369.440	3.419	30	40	FGEB	
C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc(C#Cc2cccs2)c1	58155651	KGATUEBUZSXFFH-OAHLLOKOSA-N	367.474	3.280	30	40	FGEB	
CCCCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C	8396858	RYPIIISJFRCCJU-UHFFFAOYSA-N	352.504	3.284	30	40	FGEB	
COc1cc(/C=N/N(C)C)ccc1OS(=O)(=O)c1ccc(Cl)cc1	4694008	SYLCBHRQSSATAE-WOJGMQOQSA-N	368.842	3.012	30	40	FGEB	
N#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	6884440	ZOGQUJXMAXAGMU-UHFFFAOYSA-N	373.390	3.043	30	40	FGEB	
N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1	409162670	YJYJMDHZCMXLPK-WSDIAFJBSA-N	371.396	3.349	30	40	FGEB	
O=C1C(=Cc2cccc(OCC(=O)N3CCCC3)c2)C(=O)c2ccccc21	408576605	XGZCAEIYRNTESP-UHFFFAOYSA-N	361.397	3.150	30	40	FGEB	
O=C(O)COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1Cl	408854159	YSOZSXWIJOHRBY-NVMNQCDNSA-N	363.826	3.124	30	40	FGEB	
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)O	253535739	VNEWQJPVNZRHHG-BIVKKVINSA-N	362.441	3.304	30	40	FGEB	
CC[C@@H]1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	100973177	KEOKPNMCWRVXNB-VVLLMFOMSA-N	372.537	3.480	30	40	FGEB	
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1	12550317	BVKMUJYTRDMRKH-QFIPXVFZSA-N	370.456	3.500	30	40	FGEB	
O=C1[C@@H](/C=N/OCc2cccc(C(F)(F)F)c2)CCN1c1ncccn1	5344273	BLRUWPCGDIEQHR-FBRGJASNSA-N	364.327	3.051	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nnc(NCC(C)C)s2)n1	14109507	KRVZTDNPPLSQSX-SNVBAGLBSA-N	367.525	3.340	30	40	FGEB	
Cc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1	4754919	FNSOKQUJLPEXHD-XSFVSMFZSA-N	369.473	3.200	30	40	FGEB	
O=C(O)c1cccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)c1	4739624	UJCGINKTRBXMAN-GRSHGNNSSA-N	352.306	3.394	30	40	FGEB	
CCOC(=O)c1cnn(-c2cc(C)c3ccccc3n2)c1/N=C/N(C)C	4747702	FXZOUAVYHKINGZ-UDWIEESQSA-N	351.410	3.127	30	40	FGEB	
O=C(c1cc(C2=NN/C(=N\c3ccccc3F)SC2)c[nH]1)N1CCCC1	9386487	SIGIINKKPINKDO-UHFFFAOYSA-N	371.441	3.118	30	40	FGEB	
N#CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	97758795	IYSKJCGILKSAFL-GOSISDBHSA-N	350.374	3.282	30	40	FGEB	
CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(C#N)cc1	79480903	TWCCBOWEGVZBDV-KRWDZBQOSA-N	370.434	3.051	30	40	FGEB	
C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(CC)CC	226279075	NYVBEEVGDHFJLT-UHFFFAOYSA-N	358.360	3.401	30	40	FGEB	
N#C[C@@H](C(=O)c1cccc(N2CCNC2=O)c1)c1nc2ccccc2s1	66504661	IEZXSDPWUGWSEK-AWEZNQCLSA-N	362.414	3.316	30	40	FGEB	
NC(=S)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	5236896	DLDNIRQZQCQAGZ-GIJQJNRQSA-N	364.268	3.195	30	40	FGEB	
O=S(=O)(Nc1nccs1)c1ccc(/N=C\c2ccccc2O)cc1	100457166	PKSKCTXKJQWASO-WQRHYEAKSA-N	359.432	3.400	30	40	FGEB	
N#Cc1cccc(OC2CCN(C(=O)C[C@@H](O)c3ccccc3)CC2)c1	91442218	KVKOSFRXZOEMNS-HXUWFJFHSA-N	350.418	3.052	30	40	FGEB	
CC(C)C[C@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O	3222374	UJAARRIFHPTDMG-GOSISDBHSA-N	361.401	3.208	30	40	FGEB	
C[C@@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O	17921313	LSTIRXMYIOVILX-QHKYSRAXSA-N	364.423	3.039	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@H](C)c2ccccc2)cc1	96940606	AYBDZRRULXGOCG-MGONWTETSA-N	353.422	3.263	30	40	FGEB	
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)O)c(Cl)c1	76936447	YEQKOVJLDKBTPL-UHFFFAOYSA-N	350.783	3.019	30	40	FGEB	
C#CCOc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1	20196315	LUNJWQLTLQJDPL-LPYMAVHISA-N	358.825	3.493	30	40	FGEB	
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225655695	IGBIWGLJVMEBNC-KURKYZTESA-N	361.850	3.090	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	252514340	CLMHGDADCKOMCX-AQNXPRMDSA-N	353.443	3.206	30	40	FGEB	
N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)N1CCCCC1	1775964791	DHNRLWQAJLBRGG-UHFFFAOYSA-N	351.815	3.041	30	40	FGEB	
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(N(C)C)cc1	68602791	ZZJDIROMGXKTCK-IBGZPJMESA-N	351.475	3.272	30	40	FGEB	biogenic
C#CCN(Cc1ccco1)C(=O)Nc1ccc(F)c(N2CCCC2=O)c1	63391606	PSICZKRZFXCHFF-UHFFFAOYSA-N	355.369	3.213	30	40	FGEB	
Cc1ccc(S(=O)(=O)O[C@H](COc2ccccc2)Cn2ccnc2)cc1	6250824	FLEYFGZYMFGPJB-SFHVURJKSA-N	372.446	3.045	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1	100545043	NNGBVDMCFAWBHN-RJIZNPLWSA-N	363.461	3.064	30	40	FGEB	
Cn1c2ccccc2c2nnc(N/N=C/c3cc(Cl)ccc3O)nc21	8036156	IDTUKNLPLJMTAQ-DJKKODMXSA-N	352.785	3.322	30	40	FGEB	
CCCN(Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCC(C)CC2)C1=O	54515886	SFFIFTCBBJJYMV-UHFFFAOYSA-N	368.481	3.228	30	40	FGEB	
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC#N)nnc12	3280527	DABWZALGKSPBCM-UHFFFAOYSA-N	361.430	3.266	30	40	FGEB	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2cccs2)C1=O	3579781	OWHQQLZFVPYDSF-ARFNDINWSA-N	365.361	3.151	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1cc(C)n[nH]1	6786079	CYZNHWZVYXYWAO-VXLYETTFSA-N	364.434	3.309	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)cc2)cc1	6819787	SIRWXHIYXJBENQ-MAUKXSAKSA-N	363.413	3.405	30	40	FGEB	
Cc1ccc(NC(=S)N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)cc1	7010748	GXMRGBYLRDNPLA-UHFFFAOYSA-N	355.379	3.196	30	40	FGEB	
Cc1ncc(CN2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)s1	115517001	MWBPUUSHVLXHCV-UHFFFAOYSA-N	367.400	3.059	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2	15934518	MNALUETZEMXSRD-MOSHPQCFSA-N	374.462	3.415	30	40	FGEB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/O)cc2Br)cc1	408936429	GIRMRMHRFQQLMJ-CXUHLZMHSA-N	370.224	3.333	30	40	FGEB	
N#Cc1c2c([nH]c(=NC[C@H]3CCCn4ccnc43)c1C#N)CCCCCC2	619486040	HQTBYRVXHXHCKD-OAHLLOKOSA-N	360.465	3.092	30	40	FGEB	
Cc1cc(N)nc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1	58378074	VPNRTBALSOBVQN-YBEGLDIGSA-N	354.479	3.340	30	40	FGEB	
COc1cc(Br)cc(/C=N/Nc2ccccc2C(=O)O)c1O	11905635	AAYNNSZLZQGICC-CAOOACKPSA-N	365.183	3.308	30	40	FGEB	
N#Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1Cl	21356755	QTXHHTRCUQRXDP-UHFFFAOYSA-N	353.765	3.117	30	40	FGEB	
COc1ccnc(Nc2ccc(I)cc2)c1C#N	1387773	DNOYOOFBWGHQIK-UHFFFAOYSA-N	351.147	3.310	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(=O)(=O)C(C)C)cc1	58023380	MXPUPXXVYLBVLI-UHFFFAOYSA-N	369.486	3.453	30	40	FGEB	
C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(N)=O	3380818	MWQVOOJIAXGIGM-UHFFFAOYSA-N	360.483	3.052	30	40	FGEB	
C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@H](C)O1	12907792	RHBDGOUVUOMYNA-GJZGRUSLSA-N	363.417	3.060	30	40	FGEB	
N#Cc1ccc(NC[C@H](O)COc2ccc(F)cc2)c(Br)c1	95976201	WXJJUBNIPKTBGU-ZDUSSCGKSA-N	365.202	3.312	30	40	FGEB	
COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1O	408946526	YVSGTCOPVGBOQM-APSNUPSMSA-N	366.717	3.317	30	40	FGEB	
N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1	218529147	QNYPUCCLMNBFOY-HRCADAONSA-N	367.257	3.154	30	40	FGEB	
Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c(C)c1	256049145	YKJJOUMVRWQIIL-UHFFFAOYSA-N	358.449	3.082	30	40	FGEB	
Cc1ccc(N/C(N)=N\c2nc(-c3ccccc3)cc(=O)[nH]2)cc1Cl	13634096	DQSVWRSGACHYMI-UHFFFAOYSA-N	353.813	3.457	30	40	FGEB	
COc1cccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)c1	1354204	IXRZVWMJDAGVPU-UHFFFAOYSA-N	374.400	3.421	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2cccc(OC)c2)c1C#N	6961401	UXTIIAXXXDQVAK-UHFFFAOYSA-N	357.435	3.148	30	40	FGEB	
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCCC(=O)O)cc1)CO2	48237862	UPAIPTIYLVTAKM-UVTDQMKNSA-N	354.358	3.207	30	40	FGEB	
C=CCn1cnnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21	6589296	AMHASZOBCKPYTA-CYBMUJFWSA-N	360.508	3.474	30	40	FGEB	
Nc1cc2c(cc1C#CC(=O)c1ccccc1)C(=O)c1ccccc1C2=O	4623741	GFPFYWDPYNWCAY-UHFFFAOYSA-N	351.361	3.279	30	40	FGEB	
COc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1[N+](=O)[O-]	408927862	SMQHVECAIMMFPP-RGEXLXHISA-N	358.350	3.228	30	40	FGEB	
N#Cc1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c(Cl)c1	574238327	FLVPWOXWIZTUMK-UHFFFAOYSA-N	367.762	3.347	30	40	FGEB	
Cc1cccc(NC(=O)CN(C)c2cc(C#N)cc([N+](=O)[O-])c2C)c1C	42110478	SQCMNSQXRPYGSV-UHFFFAOYSA-N	352.394	3.467	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)NCCC3=CCCCC3)CC2)cc1	53518190	LJWSXFNYQPOBCP-UHFFFAOYSA-N	352.482	3.276	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)nc(N)c1[C@@H]2c1ccncc1	100930411	IYLLONGAHOTWRB-GFCCVEGCSA-N	353.451	3.317	30	40	FGEB	
COc1cc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)ccc1O	1473718	YYLUVRKTJKTBQF-NVMNQCDNSA-N	360.826	3.484	30	40	FGEB	
COc1ccc(-c2nnc(S)n2/N=C\c2cccc([N+](=O)[O-])c2)cc1	4680429	HHRNFNNIFWPYAB-YVLHZVERSA-N	355.379	3.033	30	40	FGEB	
Cc1nc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C#N)c(C)c1C	18358047	QQIBCHYNYKEXHR-CQSZACIVSA-N	357.483	3.348	30	40	FGEB	
C=CCN1CCC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2	1614936597	DRQRJTPYSVSLKZ-KRWDZBQOSA-N	353.388	3.357	30	40	FGEB	
C=CCOc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1OC	8231539	SOKGKAUVKSROBW-CQSZACIVSA-N	361.438	3.254	30	40	FGEB	
Cc1ccc2c(CC(=O)N3CCN(c4cc(C#N)ccn4)CC3)coc2c1C	32908431	VHZKEXSOSMUHOY-UHFFFAOYSA-N	374.444	3.208	30	40	FGEB	
N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SC[C@@H]1CCCO1	32901596	JANCIOQDTTYTSQ-AWEZNQCLSA-N	354.435	3.059	30	40	FGEB	
O=C1COc2cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)ccc2N1	12526942	KSFWIPXPJMQNKC-UHFFFAOYSA-N	369.380	3.065	30	40	FGEB	
Cc1ccc(C/C(O)=N/S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1	58113245	FTBLTJAHGURYCF-UHFFFAOYSA-N	355.419	3.069	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1	3334501	SKXKYHJEAKCNTK-UHFFFAOYSA-N	359.179	3.344	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)c2ccccc2OC(C)C)s1	83150809	QWPBJEUVOXZOSE-UHFFFAOYSA-N	354.453	3.241	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)c2ccco2)nc1C	7338475	KLAVTYDNDDRLDV-GFCCVEGCSA-N	373.434	3.001	30	40	FGEB	
N#Cc1cccnc1N1CCN(C(=O)NCC2CCCCCCC2)CC1	89773276	OPSOEWKKRKMZQG-UHFFFAOYSA-N	355.486	3.145	30	40	FGEB	
CN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O	409047991	VMGKKPWWQISCNQ-UHFFFAOYSA-N	368.389	3.344	30	40	FGEB	
COC(=O)[C@@H]1CC[C@@H]2[C@]34CCC5=CC(=O)CC[C@@]5([C@@H](OC)O3)[C@@H]4CC[C@@]21C	254567557	RWKSXLXAGGNKPV-BAMNERMJSA-N	374.477	3.413	30	40	FGEB	
Clc1ccccc1Cn1cc(/C=N/Nc2nnn[nH]2)c2ccccc21	5394980	QWMSVTNCBGTRAO-DJKKODMXSA-N	351.801	3.302	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC	4546272	NIPMSDJZBJJBEX-JNVMUYNCSA-N	374.481	3.482	30	40	FGEB	
Cc1c[n+](CC(=O)c2ccc(I)cc2)c(C)s1	1595223	AHVWIWRALCSJCH-UHFFFAOYSA-N	358.224	3.140	30	40	FGEB	
CCOc1cc(C#N)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2	6126601	ACXOYBORKNMMLH-UHFFFAOYSA-N	356.334	3.311	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1	6855323	VEBJUJMPWMDUCD-IBGZPJMESA-N	361.401	3.090	30	40	FGEB	
N#CCCN(CCC#N)Cn1nc2c(Cl)cc(Cl)cn2c1=S	25286192	CHLJIOJVPCYYCO-UHFFFAOYSA-N	355.254	3.259	30	40	FGEB	
CN(Cc1ccccc1Cl)Cc1nc2ccccc2c(=O)n1CC#N	10897632	FLKANEJTAJLQQC-UHFFFAOYSA-N	352.825	3.205	30	40	FGEB	
Cc1ccc(C(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1	8053402	NXNPSRFTRSJPLR-IJDCCNJMSA-N	358.463	3.064	30	40	FGEB	
Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2ccc([N+](=O)[O-])cc2)NC1=O	6206248	IEFUSALFYSVLCR-ZVCOJXFSSA-N	368.418	3.067	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1	4494083	AISFQNRTVRHQIB-UHFFFAOYSA-N	366.295	3.483	30	40	FGEB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(C#N)cc1	14084098	SDHDZZCRAJTBFT-PZJWPPBQSA-N	361.445	3.080	30	40	FGEB	
N#Cc1oc2ccccc2c1NC(=O)CSc1nnc2n1CCCCC2	6586948	WMCNYSYAHFRZGU-UHFFFAOYSA-N	367.434	3.353	30	40	FGEB	
Cc1cc(N2CCCCC2)ccc1C=Nn1c(O)nc2ccccc2c1=O	409357046	IHHLLBLEWLDHRL-UHFFFAOYSA-N	362.433	3.283	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2OC(F)F)cc1	11004716	GIEJLGMEGJGXOC-UHFFFAOYSA-N	360.316	3.497	30	40	FGEB	
O=C(CCn1cncn1)NC1(C#Cc2cnc3ccccc3c2)CCCCC1	12133280	RORJGNREULBXHC-UHFFFAOYSA-N	373.460	3.087	30	40	FGEB	
CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CC[C@H](C)C2	5055547	SFDMJWYQNANZJO-NSHDSACASA-N	353.447	3.356	30	40	FGEB	
C=CCn1c(=O)n2nc(-c3ccncc3)nc2c2c(CC)c(C)sc21	31817569	MZBFJJOJPJZNIL-UHFFFAOYSA-N	351.435	3.225	30	40	FGEB	
O=S(=O)(c1ccc(/N=C/c2ccccc2Cl)cc1)N1CCOCC1	4744971	WBCFFFBXZRMSMS-CPNJWEJPSA-N	364.854	3.112	30	40	FGEB	
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OCC#N)c(OC)c1)CO2	58228040	YEPVXXGYHYDBGW-ZROIWOOFSA-N	351.358	3.265	30	40	FGEB	
C[C@H](NC(=O)CSCC#N)c1cccc(NC(=O)c2ccccc2)c1	58227453	JOXOCMYQIFUFSM-AWEZNQCLSA-N	353.447	3.373	30	40	FGEB	
CC(C)(C)c1nc(C#N)c(NC[C@H](c2cccs2)N2CCOCC2)o1	27794089	NGHYDSFAEVRJGK-CQSZACIVSA-N	360.483	3.391	30	40	FGEB	
CCOC(=O)N1CCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1	16741589	AHZOQOGYTVCRDU-UHFFFAOYSA-N	360.801	3.145	30	40	FGEB	
C[C@H]1CN(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)C[C@@H](C)O1	13031093	OXPAIIITVXIOPY-IYBDPMFKSA-N	350.418	3.240	30	40	FGEB	
CC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccco3)c2CS1	5699898	NFIWEZFZLNMHDM-UHFFFAOYSA-N	354.479	3.191	30	40	FGEB	
N#Cc1ccc(OCCOC(=O)CCc2nc(-c3ccsc3)no2)cc1	22017413	CGEJEUIDXLTQPO-UHFFFAOYSA-N	369.402	3.225	30	40	FGEB	
O=C1/C(=C/c2cc3ccccc3nc2N2CCOCC2)Oc2cc(O)ccc21	96930453	ALGONUZDQPSAME-NDENLUEZSA-N	374.396	3.393	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1N=Cc1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]31	408917985	DUMRVWQAWKQNCV-JKPJVAMOSA-N	361.228	3.380	30	40	FGEB	
COc1ccc(CSCC(=O)Nc2ccc(C#N)cc2)cc1[N+](=O)[O-]	32815766	ZDABWTPFYCDKCH-UHFFFAOYSA-N	357.391	3.347	30	40	FGEB	
C[C@@H]1CCCCN1c1nc(O)c2c(n1)NC(=O)[C@H](C#N)[C@H]2[C@H]1CC=CCC1	253619863	GXNCZYQSDDZJRI-LXTVHRRPSA-N	367.453	3.093	30	40	FGEB	
N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1	278066194	ZHUOKIVGSLTWAO-QYZOEREBSA-N	374.444	3.365	30	40	FGEB	
COc1ccccc1[C@@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3	5023827	SQOKEPRIYFHPFR-GJJHYRHESA-N	362.389	3.204	30	40	FGEB	
COc1cc2cc(C#N)c(SCC(=O)NC(C)(C)C)nc2cc1OC	1355175	TZYKYIFBHFDGKM-UHFFFAOYSA-N	359.451	3.130	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccccc2F)c(OC)c1	7601822	YGEUYCRKFLMDGO-UHFFFAOYSA-N	369.400	3.198	30	40	FGEB	
C=CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1	102235692	XZFUGLKDEWENPU-UHFFFAOYSA-N	360.417	3.349	30	40	FGEB	
C=CCc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cc(OC)c1OC	26855344	MSLJRDNHHGVYID-MRXNPFEDSA-N	369.417	3.002	30	40	FGEB	
CC(=O)Nc1cc(NC(=O)NCCNc2cccc(F)c2C#N)ccc1F	47833790	IYGUFYJXHPQDAN-UHFFFAOYSA-N	373.363	3.028	30	40	FGEB	
Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cnc3sccc3c2=O)c1	12977386	HMNAWTBRYMODSQ-UHFFFAOYSA-N	366.446	3.022	30	40	FGEB	
N#Cc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1	6413954	PPDLGWKRXNDSAZ-UHFFFAOYSA-N	367.372	3.118	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)C(O)=NC1=S	16956130	NBBBIOCUQRTYNO-PTNGSMBKSA-N	366.446	3.142	30	40	FGEB	
C/N=C1/S/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N1C	15634853	KHCOQSJRYBUSAD-PXJVAEEZSA-N	356.403	3.265	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccccc1)N(C)C	8775990	ZFRBMUJBESETIT-GOSISDBHSA-N	362.433	3.283	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1Cl	8884504	OKDPAAIUBFMOPD-ZDUSSCGKSA-N	357.841	3.327	30	40	FGEB	
NC(=S)N/N=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1	408735563	SSYLEBGGYTZLTC-IFRROFPPSA-N	369.780	3.005	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)OC1(C)C	1776007457	DNADKSPZFNJONU-HXUWFJFHSA-N	356.275	3.251	30	40	FGEB	
C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[C@H]1N(c1ncnc3sc(C)cc13)C2	1615611092	JRANIXDQIVACOW-NWANDNLSSA-N	356.495	3.295	30	40	FGEB	
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)c(O)c2)S1	6870618	QRDVGAUABPLWJU-YBEGLDIGSA-N	356.403	3.388	30	40	FGEB	
C=CCOc1c(Br)cc(CNC[C@@H]2CCCO2)cc1OC	8470086	ANNPQGGBATUGLW-ZDUSSCGKSA-N	356.260	3.291	30	40	FGEB	
C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O	100895846	LSTIRXMYIOVILX-YFUPBZDXSA-N	364.423	3.039	30	40	FGEB	
Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2)C(F)(F)[N+](=O)[O-])cc1	3145293	XVEGWWFGOLPCFW-AWEZNQCLSA-N	357.334	3.311	30	40	FGEB	
CC(C)c1nn2c(N)c(C#N)nnc2c1-c1ccc(Br)cc1	20636174	AJCUSECQYXEAJW-UHFFFAOYSA-N	357.215	3.131	30	40	FGEB	
C=CCn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21	2298798	FMZKYSGDNTXPPP-UHFFFAOYSA-N	357.417	3.283	30	40	FGEB	
COc1cc(/C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)ccc1O	4648795	AHCFQUJHOPVTAL-QPJJXVBHSA-N	352.342	3.417	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2C1=O	14597988	UGGOTGSNXMNXEJ-KBXCAEBGSA-N	352.434	3.263	30	40	FGEB	
C=CCNc1nnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)s1	5783886	JFZQCNROKJDSFJ-GFCCVEGCSA-N	360.508	3.202	30	40	FGEB	
CC(C)CCOc1ccc(S(=O)(=O)N(CC#N)CC(F)(F)F)cc1	95466258	WGICPDRXFKTNOW-UHFFFAOYSA-N	364.389	3.188	30	40	FGEB	
CC/N=C1/S/C(=C/c2c(OC)cc(OC)cc2OC)C(=O)N1CC	408931822	QSBWXRIBBZRMJD-JQJQOIMSSA-N	350.440	3.025	30	40	FGEB	
COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1Cl	224960235	OOVJBDWRDKIDLG-UHFFFAOYSA-N	350.827	3.240	30	40	FGEB	
N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1	225486725	MGHWIJLEXADIDA-AWEZNQCLSA-N	364.430	3.247	30	40	FGEB	
N#Cc1cc(N2CCC[C@@H](F)C2)cc(N2CCC[C@@H](F)C2)c1[N+](=O)[O-]	584086716	YMRBHGXNFDCCQJ-ZIAGYGMSSA-N	350.369	3.343	30	40	FGEB	
COCCn1c(C(=O)NCCC#N)cc2c1c1ccccc1n2C(C)C	96037334	PCXZYAVPWHEFJL-UHFFFAOYSA-N	352.438	3.467	30	40	FGEB	
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@]2(O)CC(=O)ON=O	1569985906	LUDJHMWFRJTWHL-UQZPWQSVSA-N	361.438	3.474	30	40	FGEB	
CN(C)CCC[C@@](O)(c1ccc(Cl)cc1)c1ccc(C#N)cc1CO	22057926	ARXRIJOUIXNUGC-HXUWFJFHSA-N	358.869	3.282	30	40	FGEB	in-vitro
CC(C)CC[C@@H](C)NC(=O)CN1CCCN(c2ccccc2C#N)CC1	46087045	QTSUXXWRBZFFDM-GOSISDBHSA-N	356.514	3.011	30	40	FGEB	
COc1ccc([C@@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	104076773	XFOPTVJYFVBADW-NRSPTQNISA-N	368.385	3.428	30	40	FGEB	
NC(=O)Cn1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21	409386250	RTQGIQOIFGYOCX-DNTJNYDQSA-N	356.769	3.439	30	40	FGEB	
CN(C)c1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1	408851684	MKYSQZSYZXJJSM-DEDYPNTBSA-N	350.382	3.293	30	40	FGEB	
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	224803450	IZBONPGKVZMZOW-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1	36739358	LDWCXXIDJZCZJW-YWZLYKJASA-N	353.418	3.438	30	40	FGEB	
COc1cccc(-n2cnnc2SCCOc2ccc(C#N)cc2)c1	32945250	UPVHZPGWTWPURQ-UHFFFAOYSA-N	352.419	3.319	30	40	FGEB	
C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccccc1C#N	24983926	VBIMUJQONQLNQO-CYBMUJFWSA-N	360.373	3.132	30	40	FGEB	
N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)sc2c1CCC2	25208042	XRLJECRQQVTVES-CYBMUJFWSA-N	358.394	3.445	30	40	FGEB	
C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OCc1ccccc1	4185442	GGTDPFGLVBZZQW-GZTJUZNOSA-N	364.401	3.183	30	40	FGEB	
C#CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c1	13838369	PMNVTPGRUCXEOT-UYRXBGFRSA-N	360.369	3.203	30	40	FGEB	
C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21	5209360	YTWQAZXEHYFWEV-UHFFFAOYSA-N	351.406	3.170	30	40	FGEB	
C#CCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12	7470386	NQOXECNHWVTZBH-UHFFFAOYSA-N	357.435	3.339	30	40	FGEB	
CC1CCC(Oc2cc(C/N=C(/O)c3cc4n(n3)CCO4)ccn2)CC1	329571407	MQSOITYZPQURSL-UHFFFAOYSA-N	356.426	3.133	30	40	FGEB	
C#CCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)N1	49171555	AOLRSXVKJGMFPY-PMACEKPBSA-N	363.505	3.402	30	40	FGEB	biogenic,in-vitro
CCOC[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	252516187	QLWPPTGRGHFDHC-XUVXKRRUSA-N	355.459	3.481	30	40	FGEB	
O=C(Cc1cccc2ccccc12)NCC#CCOc1ccc2c(c1)OCO2	90730800	YBKBXCNQPJSQLW-UHFFFAOYSA-N	373.408	3.310	30	40	FGEB	
COc1cc(Br)cc(/C=N/c2ccc(C(=O)O)c(O)c2)c1O	2756604	KAPNFEXILQAEFZ-REZTVBANSA-N	366.167	3.318	30	40	FGEB	
Cc1ccc(OCCN(C)C(=O)CCc2c(C)nn(CCC#N)c2C)cc1	24050528	KIXOUCIFUMUFSE-UHFFFAOYSA-N	368.481	3.192	30	40	FGEB	
C=CCN1C(=O)N[C@H](c2cccc(Br)c2)C(C(=O)OC)=C1C	12853699	VKNKNRPBVJATSE-CQSZACIVSA-N	365.227	3.148	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccccc1F	16955897	QQULQNUQWAQEKF-UHFFFAOYSA-O	354.380	3.306	30	40	FGEB	
C=CCNc1nc(Nc2ccc(C(C)C)cc2)nc(N2CCOCC2)n1	4498904	QMQYZBOINKGXDU-UHFFFAOYSA-N	354.458	3.173	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2Cl)CC1	36259509	BKTLYFNGPYBVBR-UHFFFAOYSA-N	360.870	3.034	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1	223433620	OOYROHWJUPCSQQ-UHFFFAOYSA-N	352.434	3.491	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1	225818066	FJMFEHSREGVRDA-UHFFFAOYSA-N	364.445	3.289	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(c2cnccn2)CC3)cc1	585100047	DFAXGADMNBGTGP-OAQYLSRUSA-N	361.449	3.014	30	40	FGEB	
C[C@H]1CCCN(C(=O)CNc2ccc(OCC(F)(F)F)c(C#N)c2)C1	55849970	HZKCCSMMAYJIRL-LBPRGKRZSA-N	355.360	3.170	30	40	FGEB	
Cc1cc(C)n(-c2cc(N/N=C/c3ccc(Br)cc3)ncn2)n1	4713126	WWPUBIULNBMTBE-AWQFTUOYSA-N	371.242	3.488	30	40	FGEB	
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C	55566868	QTDQCKSFYALGMA-UHFFFAOYSA-N	374.462	3.029	30	40	FGEB	
Cc1nc(Cc2nnc(SCCOc3ccccc3C#N)o2)cs1	58167603	OAHJXDIGRPRHCA-UHFFFAOYSA-N	358.448	3.468	30	40	FGEB	
COc1cc(/C=C/c2nc(C#N)c(N3CCCC3)o2)cc(OC)c1OC	8469919	QODTYVILASZRML-VOTSOKGWSA-N	355.394	3.343	30	40	FGEB	
COc1ccc(/C=C2\S/C(=N\Nc3ccccc3)NC2=O)cc1OC	13686394	FUUMHIROMMRLNP-WJDWOHSUSA-N	355.419	3.291	30	40	FGEB	
C=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccccc2)CC1=O	60016560	ZPXCRBBIHGGEAR-BBPUYGCGSA-N	352.478	3.110	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1ccco1	795006	GWCVOIPNOZSQEZ-PXAZEXFGSA-N	371.364	3.176	30	40	FGEB	
CN(C)c1ccc(/C=N/N2CC(O)=C(c3nc4ccccc4[nH]3)C2=N)cc1	102725908	ILSVCPBZDMIIFF-SRZJJHSQSA-N	360.421	3.225	30	40	FGEB	
C[C@H](Sc1nnnn1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	22756438	RRTVXJQSYMWFBQ-OOIIIRTPSA-N	369.494	3.369	30	40	FGEB	
C[C@@](C#N)(NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1	58307150	WLBKWTZQBDCGAC-NRFANRHFSA-N	369.415	3.452	30	40	FGEB	
N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCC1	2309241	ATSRWGMBWOFQKQ-MRXNPFEDSA-N	363.465	3.286	30	40	FGEB	
CCc1ccccc1NC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C	96939950	BVCFZCSPYFAANJ-VCHYOVAHSA-N	360.479	3.220	30	40	FGEB	
COc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@H]2c2ccc(OC)cc2)cc1	55190208	BQEJVYDRCGJWFJ-XWRADEMYSA-N	367.449	3.289	30	40	FGEB	
C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(F)cc1	224918479	YMRMXWQCHJXLMA-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
CCO[C@@H]1C[C@H](/N=C(/O)N2Cc3ccccc3O[C@H](C)C2)C12CCOCC2	330206391	FBSGHKVVAVUVNQ-AYOQOUSVSA-N	374.481	3.158	30	40	FGEB	
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)O	253535745	VNEWQJPVNZRHHG-UTUGCDDFSA-N	362.441	3.304	30	40	FGEB	
Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3sccc3C#N)CC2)c1	57338271	YFBFDRRXDDYPHP-HNNXBMFYSA-N	354.479	3.077	30	40	FGEB	
CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1	18209361	ROJXIUHUMWQJBB-KKJJZKEWSA-N	370.453	3.056	30	40	FGEB	
C#CCCOC(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1	19117011	SUTCBEJKZIKVBI-GFCCVEGCSA-N	366.343	3.006	30	40	FGEB	
C=CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)cnn2c1C	19817041	BNVCWYSXWZBKSH-UHFFFAOYSA-N	373.210	3.205	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cccc(C)c1	8392015	GJLDWRDUTFTPAQ-UHFFFAOYSA-N	372.479	3.022	30	40	FGEB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1cccc(Cl)c1	101484444	JQOKVWPLECKKNY-XDJHFCHBSA-N	357.757	3.439	30	40	FGEB	
O=S(=O)(/N=C(\O)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCCCO2	42338549	SKAZKUXOYPETMA-UHFFFAOYSA-N	373.430	3.030	30	40	FGEB	
C[C@@H](CN1CCCC1=O)NC(=O)Nc1cccc(C#Cc2cccs2)c1	58155648	KGATUEBUZSXFFH-HNNXBMFYSA-N	367.474	3.280	30	40	FGEB	
Cc1occc1SCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	96003398	MNVYAHYIQXVONA-QGZVFWFLSA-N	355.463	3.089	30	40	FGEB	
COc1cc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)ccc1OC(F)F	5347204	ZYBHTDKTDMNGCS-LDYMZIIASA-N	373.402	3.099	30	40	FGEB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1	8735545	PSQFDDDYGWOVHN-UHFFFAOYSA-N	360.435	3.035	30	40	FGEB	
C[C@@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O	8707176	IMRACZTUZUNGCL-IBGZPJMESA-N	369.808	3.058	30	40	FGEB	
C=CCNC(=O)[C@H](C)OC(=O)c1ccc2noc(-c3ccccc3)c2c1	18343754	JSNLSWCIHOSVDJ-ZDUSSCGKSA-N	350.374	3.342	30	40	FGEB	
C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc3c2OCCO3)c1)C(=O)O	68726384	KSPCKMJPSHLHNX-MMQHEFTJSA-N	354.358	3.206	30	40	FGEB	
Cc1nc(N=C2NCN([C@@H]3CCC[C@H](C)[C@@H]3C)CN2)nc2ccccc12	37100458	HSZAZYDQEZJAEE-SUNYJGFJSA-N	352.486	3.160	30	40	FGEB	
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(c2cccc(Cl)c2)CC1	57290136	YBMZVHOWGVQEDJ-HNNXBMFYSA-N	368.868	3.361	30	40	FGEB	
N#C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cnn(-c2ccccc2)c1	68400430	UIKVVRLANQSUBB-RTBURBONSA-N	358.401	3.119	30	40	FGEB	
CCOc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)c(O)c2)cc1	2240498	ZHGNAURBOBBUAL-VCHYOVAHSA-N	356.407	3.300	30	40	FGEB	
CN(C)CCC(=O)C(=Cc1c(Cl)cccc1Cl)C(=O)CCN(C)C	1607924	IULBJKAIOFRMAM-UHFFFAOYSA-N	371.308	3.418	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(Cl)c1	4944597	MCEDWWLOTNDACG-GFCCVEGCSA-N	361.854	3.186	30	40	FGEB	
CNC(=S)N/N=C/c1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12	3248066	JGPXPCZUCMGNNL-SSDVNMTOSA-N	368.437	3.046	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1	100418200	IELCPDIIMMSXBN-SNVBAGLBSA-N	364.804	3.197	30	40	FGEB	
C[C@H]1CN(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCO1	48319341	KPWFIINYWOUHGX-HNNXBMFYSA-N	351.406	3.390	30	40	FGEB	
CN(C)c1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1	3897855	YFYCIDBYRQDLPP-FSJBWODESA-N	357.421	3.328	30	40	FGEB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(C#N)cc1	14084100	SDHDZZCRAJTBFT-FPOVZHCZSA-N	361.445	3.080	30	40	FGEB	
C=CCc1cc(/C=N\c2ccc(OC)nc2)cc(OC)c1OCC(=O)O	408854222	AAXADWXVTAXEHJ-JMIUGGIZSA-N	356.378	3.041	30	40	FGEB	
COC(=O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cn3)o2)cc1	4739597	HWOGJGHQFKXKMM-RGVLZGJSSA-N	366.333	3.482	30	40	FGEB	
C=CCNC(=S)N/N=C\c1ccccc1OCCOc1ccccc1	33927536	UBSPEQLOOXTUHN-QNGOZBTKSA-N	355.463	3.128	30	40	FGEB	
CC[C@H](C)n1ncc(N/C(O)=N/[C@@H]2CCCN(c3ccc(C)nn3)C2)c1C	330144454	ZOKJAXROXKHHDB-GOEBONIOSA-N	371.489	3.256	30	40	FGEB	
Cc1cc(C#N)nc(N[C@@H]2CCN(c3ccccc3Br)C2)n1	587975644	IYWVJIMHQMEWLA-GFCCVEGCSA-N	358.243	3.110	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(c3ncnc4ccsc34)C2)c1	1776007996	QYTJTQMLDDOLJG-CQSZACIVSA-N	351.435	3.253	30	40	FGEB	
N#Cc1cccc(N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)n1	1888890139	WPNRIZVBFHRFBH-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
N#Cc1ccccc1-c1ccccc1C(=O)Oc1ccc(-n2cnnn2)cc1	60921591	MRKZVYFCTKMJPB-UHFFFAOYSA-N	367.368	3.420	30	40	FGEB	
COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC	782900	VVXFQNLPYQQTAC-UHFFFAOYSA-N	358.419	3.387	30	40	FGEB	
C[C@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@@H]2C[C@@H]1C2(C)C	100799744	AFQQUICKZPLXEB-DNVWFHOQSA-N	350.422	3.281	30	40	FGEB	
CCOc1cc2c(cc1NC(=O)COc1ccccc1C#N)O[C@H](C)C2	13000773	CVCUTWFKXNBRJM-CYBMUJFWSA-N	352.390	3.298	30	40	FGEB	
CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1	13423916	XITDTOONWALHJT-ZJYNUGOYSA-N	357.410	3.416	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1	4435946	BOQFNXMLIUAFRU-BFUOFWGJSA-N	362.389	3.295	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1	6980623	MTQIWHMPAFEHSE-SFHVURJKSA-N	367.474	3.262	30	40	FGEB	
Cc1ccccc1-c1noc(CO/N=C/C(=O)Nc2ccc(F)cc2F)n1	95364766	SDOQOWRFOBPKII-ZVBGSRNCSA-N	372.331	3.464	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccccc2Cl)C1=O	408534861	MSHXSZJXEGSKSE-LBPRGKRZSA-N	355.781	3.250	30	40	FGEB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(OC)c(OC)c1	408736686	FLPQFAPTUYTCNO-FNLSEGDXSA-N	366.417	3.388	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O	96998465	DEIZTGQRHCQPMR-UHFFFAOYSA-N	373.412	3.210	30	40	FGEB	
C[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O	4898461	MIRJOPJTUDNXKK-AXHUZBHISA-N	368.418	3.449	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C#CCOc1ccccc1)N(C)CC3)OCO2	20111938	HIHLVYUVBJDFGG-QGZVFWFLSA-N	351.402	3.035	30	40	FGEB	biogenic
COc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1	862117	YQVNZLIKSSFVFK-UHFFFAOYSA-N	356.432	3.302	30	40	FGEB	
N#CC1(NC(=O)CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CCCC1	47274025	ZIHZLHBSVNIROC-UHFFFAOYSA-N	366.440	3.349	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1	100644076	CRAJHTZPJNQQPO-IKEDPNGRSA-N	357.523	3.311	30	40	FGEB	
Cc1ccccc1N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	57290131	MTQBFHFOULUSGF-UHFFFAOYSA-N	368.868	3.281	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2nc(-c3ccccc3)cs2)c(=O)c1C#N	409412335	JVBQOVMEJCBAPG-UHFFFAOYSA-N	364.430	3.099	30	40	FGEB	
Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2sccc2C#N)c1	3308739	FOWIYWMHGLAOMB-UHFFFAOYSA-N	358.419	3.187	30	40	FGEB	
Cn1ncc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C(F)(F)F	58356382	NYJNSTMWRJWBKM-UHFFFAOYSA-N	370.334	3.486	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1	4435947	BOQFNXMLIUAFRU-YJYMSZOUSA-N	362.389	3.295	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1CN(C)C	9917370	IPGRAWWCJIAYTB-UHFFFAOYSA-N	362.433	3.242	30	40	FGEB	
CC(=O)c1c(C)oc(NC(=O)CCn2c(=O)sc3ccccc32)c1C#N	95481774	UPRLCSMECPGPSY-UHFFFAOYSA-N	369.402	3.068	30	40	FGEB	
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2	96229925	QQCVEAFXGBJGHL-JOCHJYFZSA-N	363.461	3.408	30	40	FGEB	
CN([C@@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1ccccc1C#N	599515270	CSEZBVHEINFUPW-INIZCTEOSA-N	364.417	3.445	30	40	FGEB	
CO/C(S)=N/C(=N/CS(=O)(=O)c1ccc(C)cc1)c1ccccc1	16309081	FEMDWNXXWQJPTP-UHFFFAOYSA-N	362.476	3.105	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(C[C@@H](C)CC1=O)N2	19959583	ZTTGTBCAVBHXNU-QLJPJBMISA-N	356.451	3.364	30	40	FGEB	
CC(C)CCNc1nc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cs1	7353626	NTTRUSFAIZLKCS-UHFFFAOYSA-N	372.450	3.268	30	40	FGEB	
Cc1nnc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(C#N)c1C	52325894	XBBSYYOGFGXCJO-UHFFFAOYSA-N	356.376	3.343	30	40	FGEB	
C=C(Br)CN1CCC(C(=O)NCCc2ccccc2F)CC1	52441456	KPWKOGIRPNMSDG-UHFFFAOYSA-N	369.278	3.105	30	40	FGEB	
CCO/C(O)=C1\C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	102432514	UGBCFZNREJEMEA-URTGMZOISA-N	368.345	3.058	30	40	FGEB	
Cc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	100138587	DHVJHMMNSYCOHN-CWGWECIMSA-N	352.434	3.420	30	40	FGEB	
CCCCCCCCCCCCN1CN=C(NS(=O)(=O)C(C)C)NC1	102348484	FAHHKPWVEBDSNF-UHFFFAOYSA-N	374.595	3.411	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)s1	1464657	YIZIIWQLZXDSPJ-AWEZNQCLSA-N	367.386	3.222	30	40	FGEB	
CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1	100228679	BEOMHCDLDGIVRU-UHFFFAOYSA-N	359.192	3.496	30	40	FGEB	
Cc1nnc(N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1N	4508838	VPOARHHAWKOWFJ-DNTJNYDQSA-N	350.304	3.025	30	40	FGEB	
CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)c(O)c1	5643995	KDTZGHHAPZDTBF-UDWIEESQSA-N	368.466	3.063	30	40	FGEB	
C=CCN(c1ccc(C(=O)Nc2ccc(F)cc2F)cc1)S(C)(=O)=O	6762743	BVXWDTHQGITPCQ-UHFFFAOYSA-N	366.389	3.169	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccc(F)cc2s1	19682909	IEZAWTXSBUGZCM-UHFFFAOYSA-N	370.409	3.184	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	9337661	SNYJBOHZZNDFQH-UHFFFAOYSA-N	374.352	3.443	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1	64476726	FRBFZVDPZNBESJ-UHFFFAOYSA-N	362.476	3.125	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl	1529453761	DUMRVWQAWKQNCV-WBHWPIFTSA-N	361.228	3.380	30	40	FGEB	
C=CCOc1ccc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cc1	12219394	MYIIAGSAZSRPQJ-UHFFFAOYSA-N	351.328	3.123	30	40	FGEB	
CC1CCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)CC1	1355143	KECHCGROPUZYLD-UHFFFAOYSA-N	369.446	3.186	30	40	FGEB	
CCN(C(=O)CO/N=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1	2649968	ULJIHUMWEXQIEG-FYJGNVAPSA-N	372.421	3.116	30	40	FGEB	
CN(CCC#N)C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	9048663	PWWMDCJVWSWWRL-FOWTUZBSSA-N	372.421	3.343	30	40	FGEB	
C=CC/N=c1/sc(C(=O)Nc2cccc(Cl)c2)cc(=O)n1CC=C	2728060	TWSYFNYVFYVPPN-HTXNQAPBSA-N	361.854	3.088	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	57994419	HDKATNLQCKFJQL-GOSISDBHSA-N	370.405	3.434	30	40	FGEB	
N#Cc1ccccc1-c1ccccc1C(=O)NCC(=O)Nc1nccs1	58423221	FAPRXFNPUCPGIN-UHFFFAOYSA-N	362.414	3.050	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/Nc2ncnc3c2cnn3-c2ccccc2)cc1	3897856	SESZXNGGJUTTKW-UFFVCSGVSA-N	359.349	3.170	30	40	FGEB	
CCc1nnc(S)n1/N=C/c1c[nH]c2ccc(Br)cc12	6544026	FMAIVCCPKLXPMI-FRKPEAEDSA-N	350.245	3.255	30	40	FGEB	
C=C(C)CN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1OC	9379165	UDMIRMQIWOHFPM-GOSISDBHSA-N	365.433	3.427	30	40	FGEB	
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1	218403805	IMZQXJFNMFHJFV-NSHGMRRFSA-N	369.442	3.092	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(nc(=S)[nH]c1O)N2	44973845	ARFIAHZSBNWSMG-GFCCVEGCSA-N	370.390	3.317	30	40	FGEB	
N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1	225486912	GVVIVEIGALEWJE-MRXNPFEDSA-N	370.840	3.004	30	40	FGEB	
CC(C)[C@@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)N1Cc2ccccc2C1=O	95476604	PQSCHXHVBXFDRF-NSHDSACASA-N	367.331	3.092	30	40	FGEB	
C/N=C1/S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1C	5975827	QQJSJCGYSZTTQV-UMMGRLDJSA-N	361.648	3.340	30	40	FGEB	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\SC(=S)NC1=O	1652382	JPKDJFBEERCSRW-PTNGSMBKSA-N	356.476	3.118	30	40	FGEB	
Cc1nn(CN(C)Cc2cccc(Cl)c2Cl)c(=O)c(C#N)c1C	52569630	GMHIBBGBISYBKO-UHFFFAOYSA-N	351.237	3.128	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC	8496505	UQNHAZJWHWHYDV-QGZVFWFLSA-N	368.433	3.407	30	40	FGEB	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	12929037	VBTBVEARBLELLW-MELADBBJSA-N	361.511	3.182	30	40	FGEB	
C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1	4812230	UANKCHLKDFLWDX-BZUAXINKSA-N	363.465	3.021	30	40	FGEB	
N#Cc1ccccc1-c1ccc(CN2CCN(c3cnccn3)CC2)cc1	96305472	GSAPQZWFAXAFOS-UHFFFAOYSA-N	355.445	3.337	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2	22608355	VMHGWOCXOVNUIS-PSLIRLAXSA-N	371.422	3.176	30	40	FGEB	
N#Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1	35684144	PVCCOADMSRJURK-UHFFFAOYSA-N	368.194	3.154	30	40	FGEB	
Cc1sc2ncc(C(=O)Nc3ccc(C4(C#N)CC4)cc3)c(=O)n2c1C	223038198	BUSLACZUTAWBGH-UHFFFAOYSA-N	364.430	3.180	30	40	FGEB	
Cc1nc(/C=C/C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cs1	22393700	TWZXEHYKWQMRND-IPLHWJFFSA-N	370.453	3.013	30	40	FGEB	
COc1ccc(/C=N/NCC(=O)c2cccc3ccccc23)cc1C(=O)O	59484976	XWZYGXHDUXIMHV-WSDLNYQXSA-N	362.385	3.353	30	40	FGEB	
CS(=O)(=O)Nc1cc(/N=C(\O)c2cc(-c3ccco3)on2)ccc1F	25670844	QUONRPGZUAHYCB-UHFFFAOYSA-N	365.342	3.082	30	40	FGEB	
C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@H](C)CC3	5574602	CLUXGBODEFRSAV-SECBINFHSA-N	356.480	3.293	30	40	FGEB	
COC(=O)c1ccccc1NC(C)=C1C(=O)CC(c2ccco2)CC1=O	4741326	IUEQBMRADMIZGV-UHFFFAOYSA-N	353.374	3.468	30	40	FGEB	
COc1ccc(C2=NN/C(=N\c3ccccc3[N+](=O)[O-])SC2)cc1OC	7849754	CSTNOFSIFWHUHQ-UHFFFAOYSA-N	372.406	3.340	30	40	FGEB	
CCN(CC)C(=O)c1ccc(NC(=O)CSc2cc(C#N)ccn2)cc1	71918410	BGMCSVAAYKATBR-UHFFFAOYSA-N	368.462	3.166	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1	20457600	PYBZJXFNRSLJDF-AWEZNQCLSA-N	354.406	3.017	30	40	FGEB	
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCCCC2)nc1	77966221	FQENRAHLIZYNNN-UHFFFAOYSA-N	356.451	3.053	30	40	FGEB	
C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(F)cc1	224922555	DMTQJTIBTLAXFU-UHFFFAOYSA-N	363.410	3.384	30	40	FGEB	
C=CCOc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1	19323670	RHYSMJFJDJUULR-UHFFFAOYSA-N	374.484	3.408	30	40	FGEB	biogenic
C=CCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1	19946954	SZNBXCHTUSMBSP-UHFFFAOYSA-N	372.490	3.109	30	40	FGEB	
O=c1c2ccccc2nc(N/N=C/c2ccc(O)c(O)c2)n1-c1ccccc1	8306413	ZXTPWCGHQXNHRA-LPYMAVHISA-N	372.384	3.243	30	40	FGEB	
O=C1C=CC(=NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)C=C1	3283055	KAUIXAWWPZLMII-UHFFFAOYSA-N	350.610	3.472	30	40	FGEB	
COc1ccc2c(c1)C(=O)C[C@@H](COS(=O)(=O)c1ccc(C)cc1)C2	2028343	VIQGPRTUKHGHJP-AWEZNQCLSA-N	360.431	3.154	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N[C@@H]1CC(=O)N(c3ccccc3OC)C1)C2	100774124	DDUMXKKGHHZSLW-WJONJSRFSA-N	368.477	3.299	30	40	FGEB	
COC(=O)c1cccc(CSc2nc(O)c(C#N)c(-c3ccco3)n2)c1	11999936	HMWQHSFZGXIDDY-UHFFFAOYSA-N	367.386	3.393	30	40	FGEB	
CSc1nc(C2CC2)cc(C(=O)N(C)Cc2c(C)noc2C)c1C#N	42047335	UIIGZSGZOLVWQV-UHFFFAOYSA-N	356.451	3.430	30	40	FGEB	
COC(=O)c1cc(C#N)c(=O)n(Cc2sc3ccccc3c2Cl)c1	42726548	ZQCPFRLNKHINIB-UHFFFAOYSA-N	358.806	3.423	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2	22608562	CCJVHVYHKBTEME-QLJPJBMISA-N	356.451	3.364	30	40	FGEB	
C=CCNC(=S)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12	2347977	LCBZUVIWCHZBHH-UHFFFAOYSA-N	368.256	3.189	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1Cl	409038424	VHQPMFKSTYIJAF-LCYFTJDESA-N	369.273	3.425	30	40	FGEB	
COc1ccc(-c2nc(SCc3ccccc3C#N)[nH]c(=O)c2C#N)cc1	5095397	YZPOWLSLVBRRLE-UHFFFAOYSA-N	374.425	3.481	30	40	FGEB	
N#Cc1c(NC(=O)c2cc(C(=O)O)ccc2C(=O)O)sc2c1CCCC2	4821987	CAWVTQZPAVLTOE-UHFFFAOYSA-N	370.386	3.147	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)cc1	306141599	WBUWTWPEAVGOSF-MOPGFXCFSA-N	369.428	3.076	30	40	FGEB	
C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)cc1	224854261	OFLXVXQSVNUBHO-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
CCCCc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N=C2C[C@@H](C)ON2)cc1	670417806	HKUBEFLRTMGJLJ-CRAIPNDOSA-N	373.497	3.412	30	40	FGEB	
C#CCN1CCC[C@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	19529973	MBPCREBAYFPQCK-DENIHFKCSA-N	368.477	3.157	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Br)cc2)cc1	778332	VBKHVCJSYJSPJR-UHFFFAOYSA-N	369.240	3.472	30	40	FGEB	
O=C1CSC(N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)=N1	1415281	TZXMXDVMFZUCLR-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCc1ccc(F)cc1	3328877	NIIPJJWFESMUBA-LSHDLFTRSA-N	352.312	3.094	30	40	FGEB	
CC(C)NC(=S)N/N=C/c1ccc(OC(F)F)cc1OC(F)F	3318872	SMLOQEFGYUDVBV-NGYBGAFCSA-N	353.341	3.096	30	40	FGEB	
Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2C#N)ccc1N1CCCC1=O	10746667	KZHYOMGJIFZOEA-HNNXBMFYSA-N	362.433	3.433	30	40	FGEB	
C/C(=N\Nc1nc(=O)c(C(C)(C)C)n[nH]1)c1ccc2ccccc2c1O	27525730	WIJQQWLVMNTRIC-SRZZPIQSSA-N	351.410	3.157	30	40	FGEB	
C#CCN(C(=O)Nc1ccc2nccnc2c1)c1ccc(C(=O)OC)cc1	408735982	ZHKMAWBATCZKHX-UHFFFAOYSA-N	360.373	3.088	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N[C@@H](C)c2ccccc2)cc1	96940605	AYBDZRRULXGOCG-UJLHSTPFSA-N	353.422	3.263	30	40	FGEB	
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1	73353681	NWSPWCRSJWKZGB-UHFFFAOYSA-N	350.783	3.019	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(OCC)c1	409142709	CWNYYJUMCIXZIV-FVUYYEIMSA-N	368.433	3.015	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)SC1=S	66255704	JBNKQVIAFVOSAV-PTNGSMBKSA-N	364.467	3.050	30	40	FGEB	
C=CCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(C)cc1	223409711	QKHGBPHXJPQBQW-UHFFFAOYSA-N	360.435	3.180	30	40	FGEB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)NC1=O	1097442	NQFQCTBJBDOHLR-YBFXNURJSA-N	369.380	3.471	30	40	FGEB	
Cc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	5196414	DWCKSXXDKUEJPG-VIFPVBQESA-N	373.434	3.145	30	40	FGEB	
C=CCn1c(S[C@H](C(=O)O)c2ccccc2)nnc1-c1cccnc1	16789446	OUCKVEMDMCHVRZ-HNNXBMFYSA-N	352.419	3.444	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(OCc2cccc(C)c2)c(OC)c1	6349353	RWSZEWGCHQSXLU-CIAFOILYSA-N	357.479	3.401	30	40	FGEB	
N#Cc1c(N)nc2c(c1-c1cc3c(cc1[N+](=O)[O-])OCO3)CCCCC2	19857669	ZKFYCCDMGDJNBT-UHFFFAOYSA-N	352.350	3.108	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc1	33384144	SESZXNGGJUTTKW-FBHDLOMBSA-N	359.349	3.170	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccc(F)c2)sc2cc(NC(C)=O)ccc21	100875801	ZRYJXMAMEZPREN-QOCHGBHMSA-N	367.405	3.175	30	40	FGEB	
O=C1/C(=C\c2cnn(-c3ccccc3)c2)CS(=O)(=O)c2ccc(F)cc21	32743591	FSKFPGYTGBRBER-ZSOIEALJSA-N	368.389	3.065	30	40	FGEB	
N#Cc1cccc(COc2cccc(NCC(=O)NCC(F)(F)F)c2)c1	55843736	WHRBDICKNSKPSV-UHFFFAOYSA-N	363.339	3.228	30	40	FGEB	
N#CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1ccccc1	3219566	JTHIVQPRVHXAKE-UHFFFAOYSA-N	372.808	3.209	30	40	FGEB	
C[C@H]1CCCN(Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)C1	57993116	KXYWOELKOUHJDV-KRWDZBQOSA-N	354.498	3.364	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1	58176628	MKNQOYBUSBHUMR-CQSZACIVSA-N	361.492	3.301	30	40	FGEB	
COc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1C	58402972	ZORLQIHSDWYTFL-UHFFFAOYSA-N	369.826	3.359	30	40	FGEB	
CCOc1cc2c(cc1NC(=O)COc1ccc(C#N)cc1)O[C@@H](C)C2	11229920	AOGJRWXZSQXTSD-ZDUSSCGKSA-N	352.390	3.298	30	40	FGEB	
CCC(CC)c1nnc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1	12881053	NOIRRTNOTVNRFH-UHFFFAOYSA-N	373.482	3.190	30	40	FGEB	
CCc1n[nH]c(=S)n1/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1	6497104	ATKOPNPIPICIGA-VCHYOVAHSA-N	372.406	3.206	30	40	FGEB	
N#Cc1c(CN2C(=O)NC3(CCCCCCC3)C2=O)cn2ccccc12	66608304	SRPGWZFXZOYYFW-UHFFFAOYSA-N	350.422	3.346	30	40	FGEB	
CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1	18209364	ROJXIUHUMWQJBB-RHLNUJDMSA-N	370.453	3.056	30	40	FGEB	
C=CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1	39983094	VKTLTMMZTQGEEL-VXSPAKRUSA-N	358.463	3.331	30	40	FGEB	
Cn1ccc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)n1	585294015	MUSNBRDWMOWESI-UHFFFAOYSA-N	373.464	3.205	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)c2ccn(-c3ccccc3F)n2)cc1	69522796	QLIQVWPGTOXTLO-UHFFFAOYSA-N	359.382	3.013	30	40	FGEB	
Cc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	17076594	MBBIBCFEDRREBN-FUHWJXTLSA-N	374.440	3.470	30	40	FGEB	
CSc1nc(C)cc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)n1	1889114150	HRULKGDVWXPQCG-HNNXBMFYSA-N	355.467	3.069	30	40	FGEB	
CC(=O)OCc1c(OC(C)=O)ccc2c1O/C(=C\c1ccccc1F)C2=O	16740616	USOMHLKHXOXGHZ-NVMNQCDNSA-N	370.332	3.430	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C/C(=N/O)c1cc(C)oc1C)N(C)CC3)OCO2	20111700	YFADBNKBRMIIGJ-KQRQPNSISA-N	372.421	3.431	30	40	FGEB	biogenic
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CCCC2)c1	47192036	MJOVAQRBEQQJPX-UHFFFAOYSA-N	364.449	3.035	30	40	FGEB	
C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccoc1C	10279425	BWTRGVYCVXVHCA-HNNXBMFYSA-N	354.435	3.351	30	40	FGEB	
N#CCCN(Cc1ccco1)C(=O)Cc1csc(-c2cccnc2)n1	58209276	ZHAKETQMSMLREY-UHFFFAOYSA-N	352.419	3.283	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1	4782828	MZBPLADCEVQJKL-DJJJIMSYSA-N	362.389	3.295	30	40	FGEB	
C=CCn1cc(Br)c(NS(=O)(=O)c2cc(C)ccc2F)n1	95466339	WAGZJVIMFNBULY-UHFFFAOYSA-N	374.235	3.080	30	40	FGEB	
C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2)C=C1C	30881438	YXAKTOTYMULXBG-ACRUOGEOSA-N	366.505	3.411	30	40	FGEB	biogenic,in-vitro
C[C@@H](CNc1oc(C23CC4CC(CC(C4)C2)C3)nc1C#N)N1CCOCC1	72238606	VEVVMEVSXRGDBG-HILYYZTDSA-N	370.497	3.147	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2OC)cc1	219638369	UWFBGOOSECRWIR-UHFFFAOYSA-N	357.406	3.207	30	40	FGEB	
C[C@]1(C(=O)N2C[C@H]3OC[C@@H](COc4ccc(C#N)cc4)[C@H]3C2)CC=CCC1	1565548819	KGCLLFBXBMMVSU-RQGSJKACSA-N	366.461	3.157	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cccc(Br)c2)C(C(=O)OC)=C1C	657033	KREXLNNZGTWYOU-UVTDQMKNSA-N	362.223	3.308	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	6238894	BLSPSBGQDIYUPG-SFHVURJKSA-N	369.392	3.441	30	40	FGEB	
CN1CCN(/N=C/c2nc(-c3ccc(Cl)cc3)n3ccccc23)CC1	956897	STJJLPVVUXNLCX-KGENOOAVSA-N	353.857	3.236	30	40	FGEB	
NC(=S)N/N=C1/[C@@H]2CCC[C@@H]1[C@@H](c1ccccc1)[C@H]1CCCC[C@]21O	100644079	CRAJHTZPJNQQPO-RNZOKJDCSA-N	357.523	3.311	30	40	FGEB	
COc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1OCc1ccccc1	12570598	BBIGURCGJRKCFK-CIAFOILYSA-N	364.405	3.112	30	40	FGEB	
COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/Nc1ccccc1	5192447	RBHQQCQYKMPORN-RGVLZGJSSA-N	353.378	3.418	30	40	FGEB	
N#Cc1cccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)c1	47338301	DYFVVGKSUOSQAC-UHFFFAOYSA-N	373.210	3.081	30	40	FGEB	
Cn1c(N/N=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc21	13640513	VCLHTDGARAKWDP-UHFFFAOYSA-N	370.210	3.104	30	40	FGEB	
CCOc1ccc(/C=N/Nc2cc(-n3nc(C)cc3C)nc(C)n2)c(O)c1	4595611	XGAYXZYVGARJMG-RGVLZGJSSA-N	366.425	3.138	30	40	FGEB	
CCc1ccc(S(=O)(=O)/N=C2\SCC(=O)N2c2ccccc2)cc1	102546892	KXBPEUULPCSXDD-ZCXUNETKSA-N	360.460	3.074	30	40	FGEB	
C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21	783762	VFQKIFJUGXQKFG-NRFANRHFSA-N	351.402	3.079	30	40	FGEB	
Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1	56129715	VKNJQQWGJSHVHX-UHFFFAOYSA-N	368.458	3.150	30	40	FGEB	
C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	100773144	LAXFVIWMSHUGQK-ZHRRBRCNSA-N	370.468	3.493	30	40	FGEB	
COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)ccc1O	8579520	YMXCONZIDIDWFJ-UHFFFAOYSA-N	372.384	3.275	30	40	FGEB	
CCOc1cc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)ccc1O	5652005	QJWNENPCLRXDHZ-SXGWCWSVSA-N	356.403	3.388	30	40	FGEB	
COc1cccc(/C=N/c2cccc(C(=O)O)c2C)c1O[C@@H](C)C(=O)O	409241526	YBTGNGMTMOUUML-QDBSGRMGSA-N	357.362	3.304	30	40	FGEB	
C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccccc1O	408603365	GCQAWKYVMIRIQX-UHFFFAOYSA-N	355.379	3.291	30	40	FGEB	
COc1ccc2ccc(OC)c(/C=N/N3C(=O)c4ccccc4C3=O)c2c1	409012610	KSHMEVIFPMIEOL-WSDLNYQXSA-N	360.369	3.487	30	40	FGEB	
COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)cc([N+](=O)[O-])c1O	408978342	IIHYUYANYVUREA-UHFFFAOYSA-N	362.345	3.322	30	40	FGEB	
COC(=O)c1ccc(C)c(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)c1	409246368	HJPUYPAAKMGGRL-SRRANQMSSA-N	371.389	3.393	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O	409136270	YGGKBUJJCSQEQN-SFQUDFHCSA-N	352.365	3.483	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1	225914977	BDHAUGFMVPDMKP-UHFFFAOYSA-N	354.406	3.337	30	40	FGEB	
C=CCN1C[C@@H]2CN(Cc3ccc(C)s3)CCC[C@]2(C(=O)OCC)C1	96055975	ZKTPNHVBRNLZNP-PXNSSMCTSA-N	362.539	3.320	30	40	FGEB	
COc1cc(C2=NOC(=O)/C2=C\c2sccc2C)cc(OC)c1OC	12463202	KPRGUWLRAIDVCO-XFXZXTDPSA-N	359.403	3.427	30	40	FGEB	biogenic,in-vitro
CCO[C@@H]1Oc2ccc(F)cc2C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1	16687939	TUFKQGJRWMWYSB-CECLQJIQSA-N	373.336	3.163	30	40	FGEB	
COc1ccc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)c(OC)c1	4576005	BHIUFNZKXFDGDQ-RGVLZGJSSA-N	366.425	3.051	30	40	FGEB	
O=C1CS/C(=N\N=C\c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)N1	5891133	VVCCUBVCJLLBPX-OMCISZLKSA-N	364.770	3.061	30	40	FGEB	
O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccccc1)n1ncnc1N2	5244854	MUEZBSSROFLWGW-VBKZILBWSA-N	358.401	3.399	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cccc(F)c21	100877833	GHIJFSWIGPANBK-VZCXRCSSSA-N	370.405	3.233	30	40	FGEB	
N#Cc1cccc(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)c1	7921092	ACAXNGPWSVIVNA-HNNXBMFYSA-N	372.471	3.090	30	40	FGEB	
N#Cc1c(N)nc(S[C@H]2CCCCC2=O)c(C#N)c1-c1ccc(O)cc1	21475713	QSKVKJBPWZNONT-INIZCTEOSA-N	364.430	3.384	30	40	FGEB	
C[C@H](c1nc(C2CC2)no1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	58191511	KGPNMQCOJRPZCH-CYBMUJFWSA-N	365.437	3.230	30	40	FGEB	
COc1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccc(NC(C)=O)cc2)c1	58186222	LUGUMGGBRSESOF-DHZHZOJOSA-N	374.418	3.012	30	40	FGEB	
Cc1nc(NC(=O)[C@H](c2ccccc2)n2cccn2)sc1SCC#N	58227695	MIHMLOKQUXSDMY-AWEZNQCLSA-N	369.475	3.492	30	40	FGEB	
CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1	44973815	VJCLBVSOERTZCN-CQSZACIVSA-N	368.462	3.475	30	40	FGEB	
O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1	13595489	RHYHVMDKWMWZFX-MNVAPZAZSA-N	354.391	3.060	30	40	FGEB	
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(CCC#N)c1ccccc1	6097839	PMXBKCNSXWKRRR-OAHLLOKOSA-N	369.494	3.432	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	4412231	IZOPJPQAGIRSHH-QGZVFWFLSA-N	369.494	3.478	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(O)cc3)c2C#N)C1	6566585	BASPMAMBCGQWQO-NSHDSACASA-N	370.430	3.246	30	40	FGEB	
C/N=c1\scc(-c2ccccc2)n1/N=C/c1ccc2c(c1)OCCO2	5859829	FWOYXMFTKBWRMQ-AMOJMVCLSA-N	351.431	3.401	30	40	FGEB	
Cn1cc(C#N)cc1C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C	96013356	RJVFAALGHGEHCV-GDBMZVCRSA-N	361.442	3.280	30	40	FGEB	
CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O	9499901	SEUFPYFKNISWBX-HXUWFJFHSA-N	351.381	3.445	30	40	FGEB	
COc1ccc(N(C)CCNC(=S)Nc2ccc(CC#N)cc2)cc1	225797983	PTAAZPXRJZGOBG-UHFFFAOYSA-N	354.479	3.184	30	40	FGEB	
COCCOc1ccc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)cc1	44027656	RNFLCIRWDHREQM-YCRREMRBSA-N	367.380	3.328	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1Cl	49545277	CMBNSIKGVCOGTM-INIZCTEOSA-N	357.797	3.345	30	40	FGEB	
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1	13692610	OKZGTMDODQQMRY-HBFFOVPNSA-N	364.401	3.029	30	40	FGEB	
CC(=O)Oc1cc(OC(C)=O)cc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2)c1	5480192	COCWJBWQEODFFI-YBFXNURJSA-N	371.349	3.282	30	40	FGEB	
CCCOc1ccc(/C=N/NC(=S)NCCc2ccccc2)c(O)c1	3438147	XKSPFFALLOMKEC-KGENOOAVSA-N	357.479	3.222	30	40	FGEB	
COc1ccc(N2C[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1	28262981	MSFSBUQBZUJYQA-ZDUSSCGKSA-N	369.446	3.237	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	708378	UVMRHNMVSJBSHM-INIZCTEOSA-N	356.309	3.223	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2n1C	46882510	GHPXQBAGFBBIGH-MRXNPFEDSA-N	350.875	3.373	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2	6541007	WAHFMLSSUNCDMX-UHFFFAOYSA-N	354.450	3.421	30	40	FGEB	
NC(=S)N/N=C/c1cc(Br)c(Sc2ccccc2)o1	408995634	CWLUGQVMSYKVJD-VIZOYTHASA-N	356.270	3.360	30	40	FGEB	
N#Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1	7927289	XZRKASIIVWAJCV-KRWDZBQOSA-N	355.463	3.239	30	40	FGEB	
C=CCOc1cccc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)c1	1501040210	FUVBARABZDSTCJ-AWEZNQCLSA-N	355.467	3.227	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1cc2cccc3c2n(c1=O)CC3	524730846	ZGRPFXMBPSQWMZ-CQSZACIVSA-N	363.413	3.231	30	40	FGEB	biogenic
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O	222346181	RYZNRFOSCDAQJF-LCQCIAOLSA-N	372.424	3.235	30	40	FGEB	
C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccs1	225140924	PELPLEXLNJBACH-UHFFFAOYSA-N	351.449	3.306	30	40	FGEB	
CCN1CCN(c2ccc(/N=C/c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1	903970	DOQNVNUVJCBOKJ-RCCKNPSSSA-N	368.437	3.496	30	40	FGEB	
COc1cccc(/C=N\c2cc(C(=O)O)ccc2C)c1O[C@H](C)C(=O)O	409231426	KETULKYQLUVKAJ-SVKBEJCWSA-N	357.362	3.304	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@@H](C)CC1=O)N2	22608353	VMHGWOCXOVNUIS-RFAUZJTJSA-N	371.422	3.176	30	40	FGEB	
C=CCN1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccccc2S1(=O)=O	4915930	YUUKHESDTFZFMY-NBVRZTHBSA-N	368.458	3.167	30	40	FGEB	
COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c(OC)c1	7266268	KKYFTQCUQSJXRK-CQSZACIVSA-N	353.422	3.034	30	40	FGEB	
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	224707962	PNEMUFXINUKLTR-UHFFFAOYSA-N	351.811	3.450	30	40	FGEB	
COc1cccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1	4689583	DIHNNJYQROBDAC-LNKGRISISA-N	362.389	3.204	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)c(OC)c2c1OCO2	15106083	UZXFUZHDEKNZNV-HWKANZROSA-N	356.330	3.057	30	40	FGEB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc(C)cc1C	4714124	VCUIGABSSXJSQT-JZJYNLBNSA-N	351.366	3.402	30	40	FGEB	
COc1cccc(C(=O)N2CCCN(c3ccc(C#N)cc3F)CC2)c1	60355855	PXVWKJNADPUXEL-UHFFFAOYSA-N	353.397	3.058	30	40	FGEB	
O=C(COc1ccc(Cl)cc1Cl)O/N=C1\C(=O)Nc2ccccc21	865510	ABFABQOZJKIONA-UHFFFAOYSA-N	365.172	3.272	30	40	FGEB	
COc1ccc(OC)c(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c1	12876367	PSBGULWAXANCJT-OCKHKDLRSA-N	354.358	3.288	30	40	FGEB	biogenic
COc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1	9328136	JPZZIZSNYBZFOU-UHFFFAOYSA-N	364.430	3.337	30	40	FGEB	
COc1ccc(OC)c(/C=N/CC/N=C/c2cc(OC)ccc2OC)c1	17859610	OAASQSSBLPZNGY-JFMUQQRKSA-N	356.422	3.259	30	40	FGEB	
N#CC(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1	6080283	LNHNEKDPKMRMEP-UHFFFAOYSA-N	372.407	3.226	30	40	FGEB	
N#Cc1ccccc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	47262140	DPFIJAYJGSCQAN-INIZCTEOSA-N	354.841	3.457	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O	409125736	ASHSGLLYCVXZTJ-LICLKQGHSA-N	366.377	3.081	30	40	FGEB	
CC(C)Cc1nc(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)cs1	64099800	ZWJQQZCJOUGKFL-UHFFFAOYSA-N	363.464	3.048	30	40	FGEB	
CC[C@@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1	6671587	FWJKPDGWSNCZPX-ZWNOBZJWSA-N	353.875	3.363	30	40	FGEB	
N#Cc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1	5938966	DZZWBLINQGOLEM-NRFANRHFSA-N	350.462	3.253	30	40	FGEB	
CCc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)cc1	18324238	VDFXJTHETSPTGQ-MRXNPFEDSA-N	353.447	3.497	30	40	FGEB	
CSc1nc(C)nc(C)c1C(=O)OCc1cn2ccccc2c1C#N	84019627	NFJIETJUEWJXOB-UHFFFAOYSA-N	352.419	3.297	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1	24742987	VRHFODFISFKTKZ-UHFFFAOYSA-N	370.796	3.082	30	40	FGEB	
CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc([N+](=O)[O-])o1	408732763	YNIZAIQRLXMFAX-INIZCTEOSA-N	357.391	3.487	30	40	FGEB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)c3ccccc3)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	504673176	GCDRMGMIJGWNQK-QYCJATHMSA-N	366.413	3.255	30	40	FGEB	biogenic
N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	225667131	BBVPMVVRZBBECS-ULQDDVLXSA-N	363.797	3.128	30	40	FGEB	
C=CCSc1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1	139142872	XCDIZVLSFIRMEB-UHFFFAOYSA-N	363.464	3.159	30	40	FGEB	
CC(C)C[C@@H](C#N)NC(=O)c1ccn(-c2ccc(Br)cc2)n1	590205328	CIZRMGAZHORWNL-ZDUSSCGKSA-N	361.243	3.303	30	40	FGEB	
C=CCSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cccc(OCC)c1	670416119	MPCGENZBZUZMLV-ZDUSSCGKSA-N	357.435	3.333	30	40	FGEB	
N#Cc1ccc(F)c(COC(=O)c2ccc(CN3CCCC3=O)cc2)c1	11540173	WMCFKARICNGUTQ-UHFFFAOYSA-N	352.365	3.177	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1	9274976	QKYPJAMFCJQHFC-INIZCTEOSA-N	357.431	3.281	30	40	FGEB	
O=C(COc1ccc(/N=C\c2cc(Cl)ccc2O)cc1)N1CCOCC1	59520235	OOBXNLHWXYOPEU-MTJSOVHGSA-N	374.824	3.034	30	40	FGEB	
CCN(CC(=O)NC(=O)Nc1ccccc1)[C@@H](C)c1ccc(C#N)cc1	42742047	AJGDAVLHGSLDIO-HNNXBMFYSA-N	350.422	3.289	30	40	FGEB	
N#Cc1ccccc1/C=C/C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	25056063	ACIGLSWQSHXQPC-ZHACJKMWSA-N	373.456	3.126	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cccn2-c2cccc(Br)c2)C1=O	409132122	OVQILTUPEXNVIT-RVDMUPIBSA-N	372.222	3.319	30	40	FGEB	
C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1	14142005	LPYCJSKLIOJYKF-VIFPVBQESA-N	364.862	3.072	30	40	FGEB	
C[C@@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1	72304493	DPSVQNQJAYQLRB-OAQYLSRUSA-N	368.433	3.401	30	40	FGEB	
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(C(F)(F)F)n2)cc1	225894665	HWDHVXHHQWJHLN-UHFFFAOYSA-N	368.340	3.028	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1ccccc1	19932878	LFZGRKNGZGTWBP-HNNXBMFYSA-N	360.417	3.285	30	40	FGEB	
OC/C(I)=C/C(F)(F)C(F)(F)C(F)(F)F	2575581	AAIXLNBYXIVUKR-IWQZZHSRSA-N	351.987	3.131	30	40	FGEB	
COc1cc(C(=O)O/N=C2\C=C(C)C(=O)C=C2C(C)C)cc(OC)c1OC	12377456	KWPCBWKWHJDQEN-RCCKNPSSSA-N	373.405	3.337	30	40	FGEB	
N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	113482434	YDKDIRYCDAJTKD-OAHLLOKOSA-N	368.393	3.140	30	40	FGEB	
CCCC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	102932688	HFTBENDSNSIXLW-ODECOBMASA-N	372.465	3.482	30	40	FGEB	
CCCCN1C(=O)CC[C@@H](/C(O)=N/c2ncn[nH]2)[C@@H]1c1ccccc1OC	23140849	ZPAIJNGVIZDHSU-PBHICJAKSA-N	371.441	3.181	30	40	FGEB	
N#C[C@@H](C(=O)CSc1cccc[n+]1[O-])c1nc(-c2ccccc2)cs1	58369669	PTKZFRJWYQFZCI-AWEZNQCLSA-N	367.455	3.412	30	40	FGEB	
COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccc(F)cc43)c2=O)cc1	2337258	CGPJUQHETCUUDU-UFFVCSGVSA-N	350.353	3.216	30	40	FGEB	
N#Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)c(Cl)c1	11157880	VUZDHZYMMMHKEY-UHFFFAOYSA-N	369.808	3.356	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC	12820692	UVDBAPVJPCNKLE-QPJJXVBHSA-N	353.374	3.321	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1	4194085	IGQJFIPWGWATHI-CYBMUJFWSA-N	357.410	3.195	30	40	FGEB	
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1	14199054	MPQWVXHIWIHTNE-GOSISDBHSA-N	359.351	3.127	30	40	FGEB	
C=CCOc1c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cccc1OC	408527749	FMTLXMZTJVJDBA-LGMDPLHJSA-N	364.401	3.353	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1cccnc1	9594965	QSJRATRYBNFLEW-AWEZNQCLSA-N	371.510	3.456	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225010519	AJPRLILSFGCHBO-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
CC(C)[C@H](C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1)C(=O)O	5707127	ABMZXLFWSNGJPU-XHAIIGHRSA-N	364.358	3.428	30	40	FGEB	
N#C[C@@H](C(=O)Nc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O	6575433	WJXMCGGGLJDFDA-CQSZACIVSA-N	350.761	3.337	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(F)cc1	102805497	IYTGFLBZVUPHPG-GROYHEBESA-N	373.380	3.185	30	40	FGEB	
COc1cc(C2C(C(C)=O)=C(C)NC(C)=C2C(C)=O)cc(OC)c1OC	20568705	YEGRQKHCSFNYRU-UHFFFAOYSA-N	359.422	3.125	30	40	FGEB	
CCOC(=O)c1ccc[n+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)c1	6788253	AATQMWQVEILKMQ-UHFFFAOYSA-N	367.425	3.093	30	40	FGEB	
Cc1cc([C@@H]2CCCN(/C(O)=N/[C@@H]3COc4c(C)cccc4C3)C2)n[nH]1	329611239	JPHUCTIATVOELJ-SJORKVTESA-N	354.454	3.124	30	40	FGEB	
N#C[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252516438	SNQFDMZDBLOTRL-OAGGEKHMSA-N	367.257	3.154	30	40	FGEB	
Cc1cccc(C(=O)N2CCCC2)c1NCC(=O)Nc1cccc(C#N)c1	55852153	KPVXVTZUZFYYDJ-UHFFFAOYSA-N	362.433	3.153	30	40	FGEB	
N#Cc1ccc(OCCn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1	10403112	VCQVVVFJXIXYEI-UHFFFAOYSA-N	359.311	3.310	30	40	FGEB	
CC1(C)COc2c(OCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cccc21	9915592	JJPLZPLWPBUQEV-CYBMUJFWSA-N	361.401	3.488	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1	96102842	HIJCIZITXHCJTQ-UHFFFAOYSA-N	372.428	3.428	30	40	FGEB	
CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)CC#N)cc2)cc1	58137754	FBKUFUUMIPNLNF-CQSZACIVSA-N	360.435	3.458	30	40	FGEB	
COc1ccc(/C=C2\CN(c3ccc(Br)cc3)C(=O)C2=O)cc1	6181722	YGEIYNGMGUQZBW-JLHYYAGUSA-N	372.218	3.457	30	40	FGEB	
Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccccc1F)O2	20573293	TXPZHTUHMFLTBH-WQRHYEAKSA-N	369.392	3.288	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccc2)no1	102728100	AGWNMAAQEUXLJQ-IBOXJLQUSA-N	350.330	3.202	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)[C@H](C)c1ccc(-n2cncn2)cc1	103421819	BCXSVFDWHPSWLR-HZPDHXFCSA-N	374.448	3.159	30	40	FGEB	
C=CCN(Cc1ccccc1OC)S(=O)(=O)c1ccc([C@@H](C)O)cc1	24763868	QCTIOHSBAQQDIH-OAHLLOKOSA-N	361.463	3.125	30	40	FGEB	
C=CCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1	25391833	GRSRKRATIDTCHE-FQEVSTJZSA-N	372.490	3.015	30	40	FGEB	
Cc1ccc2c(CN3CCCN(c4ncccc4C#N)CC3)cc(=O)oc2c1	58162548	OGBCVMUFZASORI-UHFFFAOYSA-N	374.444	3.080	30	40	FGEB	
Cc1cccnc1NC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1	58224943	DGEWVUDHQPOBFQ-UHFFFAOYSA-N	356.376	3.395	30	40	FGEB	
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)c(C)c1	4269329	STYIUIBZMPTRCO-UHFFFAOYSA-N	361.430	3.266	30	40	FGEB	
O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1	13725117	FWVOUVJNNXKHSF-WXARJGPPSA-N	353.374	3.227	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(NCC(C)C)s2)n1	7249520	KRVZTDNPPLSQSX-JTQLQIEISA-N	367.525	3.340	30	40	FGEB	
N#C[C@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1	16523792	LERIORMGZWOGGC-CQSZACIVSA-N	357.295	3.171	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c(O)c([N+](=O)[O-])c1	409101077	PJQPQAZVKMLVME-BLLMUTORSA-N	371.231	3.068	30	40	FGEB	
COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCC#N	136759968	SCDKVCOCEDNQCC-JMSNFKITSA-N	371.443	3.472	30	40	FGEB	
O=c1[nH]nc(O)c2c(/N=C/c3ccc(Br)s3)cccc12	705148	TWVJIWQCPIAKGH-GIDUJCDVSA-N	350.197	3.203	30	40	FGEB	
CC(C)Oc1ccc([C@@H](CC(=O)OCC#N)NC(=O)c2ccccc2)cc1	4653308	CMFGTQWOFIMEID-LJQANCHMSA-N	366.417	3.402	30	40	FGEB	
CCC/C(Nc1ccccc1N)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	102932723	DQEPAEUFLKDCCO-ZQHZRZASSA-N	358.438	3.092	30	40	FGEB	
Cn1ncc(Br)c1/C=N/Nc1c(F)c(F)cc(F)c1F	27062136	VGTVGYUMJNFMOY-HAVNEIBRSA-N	351.101	3.185	30	40	FGEB	
Cc1c(C#N)c(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)nc2c1CCC2	53570205	YGGPAWVPAFOVPC-MSOLQXFVSA-N	371.506	3.013	30	40	FGEB	
N#Cc1ccccc1N1CCCN(C(=O)/C=C/c2nc3ccccc3o2)CC1	58246504	JRXKQVDNTQGLNC-ZHACJKMWSA-N	372.428	3.452	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Cl)cc4)c(O)nc3c2c1	2288243	PGOWKMKFOBTHHI-AWQFTUOYSA-N	368.780	3.128	30	40	FGEB	
C=CCOc1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1	14086777	DPSKPOKVTNSSQU-IIBYNOLFSA-N	371.481	3.141	30	40	FGEB	
Cc1[nH]c2nc(/N=C(\O)C(c3ccccc3)c3ccccc3)nn2c(=O)c1C	18219999	JMLIHXYEYMQXJS-UHFFFAOYSA-N	373.416	3.455	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nnc(NC3CC3)s2)cc1Cl	7577579	MNRQMLSQMSWBHZ-UHFFFAOYSA-N	365.871	3.368	30	40	FGEB	
CC1(C)O[C@H](CC#Cc2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)O1	96023742	RPLWVTHJIPAEKA-RTBURBONSA-N	356.374	3.143	30	40	FGEB	biogenic
CC[C@@H](C)Oc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1OC	409404835	MLVDBSZEMOALQD-ZCHQSPEWSA-N	368.433	3.014	30	40	FGEB	
C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O	409134548	WCIVGWMSFQGTJP-ZROIWOOFSA-N	372.764	3.377	30	40	FGEB	
C=CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1	223822878	UFWGLJCUXBTKKY-UHFFFAOYSA-N	361.419	3.147	30	40	FGEB	
COc1ccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)cc1	225841538	JXQBWDPBXPBNDB-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	610598371	YJRMZEPFLKEATI-KYNGSXCRSA-N	350.466	3.439	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1	14006292	FAKFCMOMMRZOQN-AWEZNQCLSA-N	354.406	3.017	30	40	FGEB	
CCOC(=O)[C@H]1CCCN(c2oc(-c3ccc(OC)cc3)nc2C#N)C1	3293030	GQCPYISBDUSSKB-AWEZNQCLSA-N	355.394	3.001	30	40	FGEB	
CC[C@H]1CCc2sc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc2C1	22565036	WAGHFADOBBNMTK-AWEZNQCLSA-N	373.478	3.076	30	40	FGEB	
CCNc1oc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1C#N	12421219	HBKBTYQZGRSYGB-UHFFFAOYSA-N	374.466	3.066	30	40	FGEB	
CC(C)CNC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC#N)nc2c1	12415049	TVEFQJOCUYLNOC-UHFFFAOYSA-N	372.494	3.054	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccccc2F)cc1	19138591	AUINIVPAXSZKTM-UGSOOPFHSA-N	369.392	3.093	30	40	FGEB	
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	16994920	TXFTZALHYYOIAL-MGPUTAFESA-N	358.401	3.399	30	40	FGEB	
C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1F	7601827	OAGKKXMLHSKXSW-UHFFFAOYSA-N	369.400	3.198	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	10513467	OGDWTJBKQNBWSI-FMIVXFBMSA-N	351.362	3.163	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nc2cc(Cl)ccc2n1C	46882512	GHPXQBAGFBBIGH-INIZCTEOSA-N	350.875	3.373	30	40	FGEB	
COc1ccc(S(=O)(=O)N/N=C(\C2CCCCC2)C(F)(F)F)cc1	823239	QZHHZNDEPFUYAO-XMHGGMMESA-N	364.389	3.472	30	40	FGEB	
N#CCOc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1	23150888	CUKJSTOWLCEGSD-UHFFFAOYSA-N	357.797	3.001	30	40	FGEB	
O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1)c1ccco1	38534888	AYXOSQQTHPSGCP-SDXDJHTJSA-N	370.277	3.388	30	40	FGEB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc(Cl)c1	13574715	JQOKVWPLECKKNY-CYVLTUHYSA-N	357.757	3.439	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(C(=O)OCCC)cc1	14251870	PZSNAXLDHBRFIP-UHFFFAOYSA-N	374.466	3.070	30	40	FGEB	
CCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C#N)c1=O	5863867	PCOCOBVXEPRGCS-UHFFFAOYSA-N	374.396	3.353	30	40	FGEB	
CCNc1nc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2ccccc12	9690470	DFQFMZREEDGOAO-SFHVURJKSA-N	357.483	3.208	30	40	FGEB	
CCN(Cc1c(C)ccc(I)c1O)C[C@H](C)C#N	95464153	AXIKVQRLLBZBLA-SNVBAGLBSA-N	358.223	3.287	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2OC)s1	39989279	NJAFPSMHJIWVDW-JTQLQIEISA-N	351.453	3.231	30	40	FGEB	
Cc1nc(C[C@@H]2CCCN(/C(O)=N/CCc3cccc(F)c3F)C2)no1	329470049	YMXPVBXSVKBHTI-ZDUSSCGKSA-N	364.396	3.067	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1	225923935	TWBLPMRNQIWRPJ-GJZGRUSLSA-N	374.558	3.032	30	40	FGEB	
CC(C)C[C@H](/C(O)=N/c1nc(C2CC2)n[nH]1)N1Cc2ccccc2C1=O	95473348	ZNWIWKIIFVUTPF-OAHLLOKOSA-N	353.426	3.341	30	40	FGEB	
N#CCCn1ccc(=NC(=O)N2CC3(CCCC3)c3c(F)cccc32)[nH]1	618070218	ZVYNXWRLMFXUOM-UHFFFAOYSA-N	353.401	3.222	30	40	FGEB	
O=C(O/N=C1\C(=O)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1	1027893	GKJDDBVXFMXUEG-NMWGTECJSA-N	370.364	3.435	30	40	FGEB	
CCN(CC)CCC[C@H](C)NCC#CCN[C@H](C)CCCN(CC)CC	5437348	HGKLAWGZOSTYIR-SZPZYZBQSA-N	366.638	3.190	30	40	FGEB	
O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1)n1ncnc1N2	5244857	MUEZBSSROFLWGW-XOBRGWDASA-N	358.401	3.399	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(F)ccc21	100875385	QMWHMMJDEMBQIW-VZCXRCSSSA-N	370.405	3.233	30	40	FGEB	
C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]2C	100371497	IYEJIWMVJJRSMG-RQJAOHDJSA-N	356.418	3.298	30	40	FGEB	biogenic,in-vitro
CCCc1cc(O)nc(SCC(=O)N(CCC#N)c2ccccc2F)n1	11443354	VQZDJKVWVTWRNS-UHFFFAOYSA-N	374.441	3.313	30	40	FGEB	
CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	6672634	SJIHTCAUUGHGSF-LICLKQGHSA-N	360.326	3.356	30	40	FGEB	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1	32802847	DYKKACAQDKBJNI-LJQANCHMSA-N	361.445	3.098	30	40	FGEB	
Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1	37133029	HXKADMZHCVFYON-UHFFFAOYSA-N	370.459	3.244	30	40	FGEB	
CCOC(=O)[C@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)C(C)=O	12966560	HWXJHVIZHJIWND-QGZVFWFLSA-N	367.430	3.280	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCc2cccs2)cc1	5079551	KOERRZXTFJHSKC-JXMROGBWSA-N	357.431	3.186	30	40	FGEB	
CCOc1cccc(/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c1O	13865661	LPGGQSCGNNJPPA-LICLKQGHSA-N	360.395	3.020	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cc2C1=O	14597989	UGGOTGSNXMNXEJ-RDTXWAMCSA-N	352.434	3.263	30	40	FGEB	
C=CCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12	4889343	WIFWKJYZLBGFFX-UHFFFAOYSA-N	360.373	3.204	30	40	FGEB	
C#CCN(C(=O)Nc1cccc(-c2cccs2)c1)[C@@H]1CCS(=O)(=O)C1	97032909	JNOQIEAJIVYLNV-MRXNPFEDSA-N	374.487	3.069	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1Cl	409235271	OMKJSINGSHQGHL-UKTHLTGXSA-N	353.205	3.308	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2cc(C(=O)OC)ccc2C)c1C	33718486	LFWNMGVEZHNYSC-SRZZPIQSSA-N	372.494	3.007	30	40	FGEB	
N#CCc1cccc(NC(=O)NCC2CCN(Cc3ccncc3)CC2)c1	596925647	KOGMIYDXORRJNP-UHFFFAOYSA-N	363.465	3.181	30	40	FGEB	
COc1cccc2c1OCC/C2=N/Nc1nnc(-c2ccccn2)s1	1615593600	ISYDKGYEXWWFJA-UNOMPAQXSA-N	353.407	3.207	30	40	FGEB	
Cc1cc(N/N=C/c2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1	5003050	RPAJLGIXQVWOSR-KEBDBYFISA-N	350.378	3.323	30	40	FGEB	
Cc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1	22625714	HKHFMGCCMQSQIK-UNOMPAQXSA-N	351.402	3.149	30	40	FGEB	
Cc1ccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)cc1	113481481	RKVKOSHOFXMCJL-INIZCTEOSA-N	364.430	3.309	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N(C)C)cc1	32828728	LGUCIUNZDZTNPM-QGZVFWFLSA-N	366.446	3.043	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1ccc(Br)cc1	9260888	ZMTVFALWDGQGHN-AWEZNQCLSA-N	374.242	3.094	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2	8231498	OZYUJTXUYLQLJY-OAHLLOKOSA-N	369.446	3.167	30	40	FGEB	
COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1	95455162	QSQILFNJLYASRP-LBPRGKRZSA-N	363.295	3.133	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OCC	408729144	XYFZUUDDVMITRH-JITGYQMGSA-N	368.433	3.015	30	40	FGEB	
C/C=C/Cn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C	96019824	VUCNZBHBEVYSEU-FNORWQNLSA-N	350.488	3.062	30	40	FGEB	
C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3[C@@H]1Nc1ccccc12	85646094	HAXPBJUEOMQIJN-HBCLNWRISA-N	367.493	3.034	30	40	FGEB	biogenic
Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCCN(C)C)o1	8744142	IHABQANVYBRSRM-UYTDBDHRSA-N	374.462	3.023	30	40	FGEB	
C=CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(OC)ccc21	100874978	ONLWFSHTDSVOHY-MSUUIHNZSA-N	359.363	3.140	30	40	FGEB	
N#Cc1cccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)c1	2515221	RCSQYHHWPCHNRA-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)c1ccc[nH]1	2628078	ILIOUMCHIVBHKK-UHFFFAOYSA-N	372.425	3.485	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100299990	FFRJRVSCSJRNDF-IRWCSVLMSA-N	370.836	3.126	30	40	FGEB	
COc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccc(C)cc3[nH]2)=C1N	7995053	XYLNURBESOYNRR-UHFFFAOYSA-N	368.824	3.250	30	40	FGEB	
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)O[C@H](C)C2	12560694	UPKYZTOPUIFMRC-GFCCVEGCSA-N	358.419	3.081	30	40	FGEB	
N#Cc1c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2	1887470	GDESVVKXGUWWIE-OAHLLOKOSA-N	352.415	3.219	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1OC	3667749	AWPOHFQWDIFLMS-LCYFTJDESA-N	366.870	3.381	30	40	FGEB	
O=C(O)COc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-]	68042191	FIANSYGKTCQHEH-ORCRQEGFSA-N	363.272	3.233	30	40	FGEB	
CC(C)(C)C(=O)N1CCC(C(=O)OCc2cn3ccccc3c2C#N)CC1	22416355	XBSBECDVZNYLAT-UHFFFAOYSA-N	367.449	3.139	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2ccc(Cn3ccnc3)cc2)s1	224355135	UAOKIXFHOSARKS-UHFFFAOYSA-N	357.464	3.313	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@@H]4N=C3C2)c(OC)c1	227109544	NSNSPKYGGGYVFT-VHSSKADRSA-N	354.450	3.390	30	40	FGEB	
CC1(C)OB(c2cccc(OCC(=O)Nc3ccccc3)c2)OC1(C)C	1775954692	LYJNDLVVVDJDFC-UHFFFAOYSA-N	353.227	3.003	30	40	FGEB	
CCN(CC)CCC[C@H](C)NCC#CCN[C@@H](C)CCCN(CC)CC	5437355	HGKLAWGZOSTYIR-VXKWHMMOSA-N	366.638	3.190	30	40	FGEB	
CCc1ncnc(N(C)CC2CCN(Cc3ccc(C#N)cc3)CC2)c1F	1888881897	KCQPLTCZFWUFMU-UHFFFAOYSA-N	367.472	3.398	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1Cl	4540490	GHWWIXNQJQPFBO-AWEZNQCLSA-N	358.221	3.314	30	40	FGEB	
CN(Cc1ccc(Br)s1)C(=O)COc1ccccc1C#N	7980523	FPWISLNJDSQKDL-UHFFFAOYSA-N	365.252	3.420	30	40	FGEB	
CN1CCN(CC#C[C@]2(C)CC[C@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1	22456037	SVAGWPUEXZOYPV-XKCSPQBFSA-N	368.521	3.335	30	40	FGEB	biogenic
CSCc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1	23437237	ALPWUXIBWBAUTG-UHFFFAOYSA-N	365.502	3.379	30	40	FGEB	
CC(C)(C)c1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1	2406716	BEOWXMUIVFURLG-UHFFFAOYSA-N	352.438	3.212	30	40	FGEB	
N#Cc1c(-c2ccccc2)nc(SCc2cccc(C(=O)O)c2)[nH]c1=O	4226860	JBDVEYSPMQRWAN-UHFFFAOYSA-N	363.398	3.299	30	40	FGEB	
CC1=C[C@@H](c2ccc(Cl)cc2)N2N=C(/N=C(\O)c3ccco3)NC2=N1	6782740	HTFNEGVNDJHXQF-ZDUSSCGKSA-N	355.785	3.429	30	40	FGEB	
CCN(CCC#N)c1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)c1	7030626	VEHYLLXQKHRWEB-LJQANCHMSA-N	373.464	3.181	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O	409142783	BGWGHHDUHHGZQU-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
Oc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1I	408961783	FASRGNCGNLJGAR-APSNUPSMSA-N	367.142	3.476	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218391402	BKQLFPNIVKCSPT-FGTMMUONSA-N	361.850	3.436	30	40	FGEB	
COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(C#N)CC4)cc32)cc1	225992087	PLCGULIEIQITHV-UHFFFAOYSA-N	361.401	3.140	30	40	FGEB	
CCO[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)[C@@]12CCCO2	612664579	ZHBZNDJWZLICPP-XHSDSOJGSA-N	351.244	3.459	30	40	FGEB	
CC1(C)[C@H]2CC[C@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	5204488	WFBKWPMTSJTYDR-LHSJRXKWSA-N	363.465	3.214	30	40	FGEB	
CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2c(OC)ccc(OC)c21	100908751	DXRXYVVJZPRVMQ-VZCXRCSSSA-N	367.430	3.353	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1	2747089	AMFVLUWXGBRYTC-WEIGREKKSA-N	356.447	3.206	30	40	FGEB	
CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)Cc1ccccc1	32829931	CRBIWYJUPYBROQ-QGZVFWFLSA-N	353.426	3.226	30	40	FGEB	
N#Cc1c(OCC(=O)N2CCCCC2)nc(-c2ccco2)c2c1CCC2	12322890	WPCSKSUUGAXXLO-UHFFFAOYSA-N	351.406	3.093	30	40	FGEB	
COc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1	100779091	VSFQOYCBIGPANH-UHFFFAOYSA-N	371.396	3.467	30	40	FGEB	biogenic
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)nc1	24924653	MWDDPHCLEQUXRO-UHFFFAOYSA-N	370.334	3.068	30	40	FGEB	
CCO[C@@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc(Cl)cc1	1408847	VQZFMCDDHFINEF-LJQANCHMSA-N	368.824	3.388	30	40	FGEB	
N#Cc1c(Cl)nsc1N1CCC[C@H](C(=O)NC2CCCCC2)C1	58366046	AYAKBHMPLUHPLX-NSHDSACASA-N	352.891	3.333	30	40	FGEB	
C=C(Br)CNC(=O)NCCCc1nc2ccccc2s1	69116942	REOBUVDSXMSSMD-UHFFFAOYSA-N	354.273	3.437	30	40	FGEB	
N#C[C@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCC1	2309242	ATSRWGMBWOFQKQ-INIZCTEOSA-N	363.465	3.286	30	40	FGEB	
CCn1ncc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)c1C	6490049	QOXSKOBXMUSQJT-SOFGYWHQSA-N	350.422	3.361	30	40	FGEB	
CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC1(C#N)CCCC1	6607739	GFXAQDUSYCOUCJ-UHFFFAOYSA-N	365.433	3.215	30	40	FGEB	
C[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O	6930030	MIRJOPJTUDNXKK-ASEPGDGMSA-N	368.418	3.449	30	40	FGEB	
COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	7668323	PEWKFFUQMMXOCH-UHFFFAOYSA-N	355.463	3.188	30	40	FGEB	
Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2ccc(C(F)(F)F)cc2)cc1	16311425	WRYJUOCWNMYJOM-OAHLLOKOSA-N	371.322	3.480	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(C)cc3C)C(=O)NC2=S)cc1	408764418	RZAHNEKBLIWLCK-BTZNOAQDSA-N	365.458	3.378	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C(=O)O)cc1C	409239454	MVSPPRRMLLMYBL-FYJGNVAPSA-N	354.406	3.289	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@H]4N=C3C2)c(OC)c1	35999578	NSNSPKYGGGYVFT-DOPJRALCSA-N	354.450	3.390	30	40	FGEB	
C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cccc(/C(O)=N/C2CC2)c1	329291412	ASMIIWIRQOUYSZ-CYBMUJFWSA-N	356.447	3.419	30	40	FGEB	
Cc1nc2ccc(N/C(O)=N/[C@H]3CCCN(c4ccccc4F)C3)cn2n1	329441678	NDYRZJKIJXRFQT-AWEZNQCLSA-N	368.416	3.172	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@H]43)CCOCC2)c1	600097732	FKKDXPYURRELBV-NJDAHSKKSA-N	358.441	3.266	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1O	7325147	YJDDJJQCTPGONA-BJMVGYQFSA-N	367.401	3.432	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1	102484576	VDEWQFKSCXIJQT-GHNGSUTGSA-N	369.417	3.471	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	102801358	JLTMLJMVXZVSMZ-WOOAAIBNSA-N	365.429	3.372	30	40	FGEB	
CCOC(=O)Cn1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(C#N)cc1	79480908	TWCCBOWEGVZBDV-QGZVFWFLSA-N	370.434	3.051	30	40	FGEB	
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)S2)cc1	408953925	QQUMXSNGOGXSFF-UKTHLTGXSA-N	359.363	3.478	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O	409123591	HKZJSNBLBNYTTJ-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
Cc1ccc(C(=O)NCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1	12744748	LZUOKVKXEFXMKF-UHFFFAOYSA-N	369.424	3.158	30	40	FGEB	
Cn1c([C@@H](C#N)c2nc(Cl)ncc2Br)nc2ccccc21	13236954	WCDBCRJFWNTRSV-QMMMGPOBSA-N	362.618	3.435	30	40	FGEB	
N#CC1(C(=O)N2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CCCC1	1614929316	NBRFUVAMQIPFLY-IBGZPJMESA-N	357.479	3.178	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(Cl)cc2)cc1	15919867	OHIGVPOTGMZMNB-QGZVFWFLSA-N	371.820	3.219	30	40	FGEB	
O=C(CC/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc(Cl)cc1	42323114	YCNZMKWJQNPWGG-UHFFFAOYSA-N	352.799	3.043	30	40	FGEB	
CCn1c(=O)n(CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc21	24692076	YPXRGIFXKPPTOA-UHFFFAOYSA-N	354.435	3.012	30	40	FGEB	
N#Cc1nc(-c2ccco2)oc1NC[C@H](c1cccs1)N1CCOCC1	27794066	UQAQFFZZJAGFKE-CQSZACIVSA-N	370.434	3.353	30	40	FGEB	
Cc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	13057451	HAZRWADPELPKDW-UHFFFAOYSA-N	368.868	3.281	30	40	FGEB	
C=CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C	8323745	JYERNCXXTTXWEY-AWEZNQCLSA-N	354.328	3.405	30	40	FGEB	
Cc1ccc(/C=C/C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1	14161420	IKADAUBCQWIIKI-CSHXORCISA-N	353.397	3.149	30	40	FGEB	
COC(=O)c1ccc(NCC(=O)Nc2ccccc2SCC#N)cc1	15290110	JMXIELASDNTZPP-UHFFFAOYSA-N	355.419	3.139	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2	9484254	NRJCUPNUCZIDTF-KPZWWZAWSA-N	350.353	3.426	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1	89364835	WRYNPDCYJSBHKN-KRWDZBQOSA-N	358.344	3.373	30	40	FGEB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/Nc1ccc(C(F)(F)F)cn1	409063831	ACTCMWWGQKYTRZ-IFRROFPPSA-N	370.287	3.472	30	40	FGEB	
Cc1ccc(-c2c(C#N)c(=O)n3c(sc4ccccc43)c2C(N)=O)cc1	3849117	UQIXYAGNRLDILJ-UHFFFAOYSA-N	359.410	3.460	30	40	FGEB	biogenic
CCCCO/N=C(\C)c1cnn(-c2cc(-n3cc(C)cn3)ncn2)c1C	96311087	UUZBZVDRKXYRFY-OEAKJJBVSA-N	353.430	3.006	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccncc2)n1	8512721	OMHYCIVULCPTSJ-UHFFFAOYSA-N	370.825	3.123	30	40	FGEB	
CCn1c(=O)c(C(=O)/C=C/c2ccc(O)cc2O)c(O)c2ccccc21	100192684	BBBQNAWCTJKPKW-CSKARUKUSA-N	351.358	3.034	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C/C=C/c2ccccc2)CC1	22877748	NLHRBNZDPQJHQH-IUYMFKLXSA-N	374.488	3.216	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)n(C2CCCC2)c1C	23995785	PGLJUWRTWMHNSU-ZIAGYGMSSA-N	358.486	3.139	30	40	FGEB	
COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(OCC#N)cc1	55010947	XKNHHZMIKZCHFY-CYBMUJFWSA-N	370.430	3.495	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccncc1	1225114	UDSIFTVVMBQNMK-ZBFHGGJFSA-N	371.510	3.313	30	40	FGEB	
CSCc1nc2ccccc2n1CC(=O)N(CCC#N)Cc1ccco1	58357291	CHPYKURUNHKGPO-UHFFFAOYSA-N	368.462	3.435	30	40	FGEB	
C#Cc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1	12757419	QUOUPZXNMSZVAX-UHFFFAOYSA-N	363.804	3.428	30	40	FGEB	
Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1	49700864	WNZVLVWZVCWRTA-UHFFFAOYSA-N	368.458	3.150	30	40	FGEB	
CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O	4483116	SAPIGBOGIDYNCK-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
CCOc1ccccc1OCCCC(=O)N[C@](C)(C#N)CCOC(C)C	84811032	HVZITLFKVRPQQY-FQEVSTJZSA-N	362.470	3.458	30	40	FGEB	
N#Cc1cc(N)c(N2CCOCC2)n1Cc1ccc(Cl)cc1Cl	225868776	XLBBEOOPEXJSLE-UHFFFAOYSA-N	351.237	3.134	30	40	FGEB	
N#CC1(C(=O)N2Cc3cc(-c4ccncc4)ccc3[C@@H]2c2cnco2)CC1	96087082	BLDLMDQVVDSTNH-LJQANCHMSA-N	356.385	3.472	30	40	FGEB	
C[C@H](C#N)CN(C(=O)c1csc(I)c1)C1CC1	89895856	PUEDOJJGQOAQHT-MRVPVSSYSA-N	360.220	3.117	30	40	FGEB	
C=CCn1c(SCC(=O)N(CC)CC)nc2c([nH]c3ccccc32)c1=O	5106784	SLEWUQLGJMGBAS-UHFFFAOYSA-N	370.478	3.024	30	40	FGEB	
COc1ccccc1[C@@H](C#N)NCCCN[C@@H](C#N)c1ccccc1OC	16953059	QNMNQYCJFCGGLZ-KDURUIRLSA-N	364.449	3.103	30	40	FGEB	
O=S1(=O)CC[C@H](N(/N=C\c2c[nH]c3ccccc23)c2ccccc2)C1	17024594	LOGHWOKNQJTQBK-WBRURWICSA-N	353.447	3.196	30	40	FGEB	
O=S1(=O)CC[C@@H](N(/N=C/c2c[nH]c3ccccc23)c2ccccc2)C1	5330093	LOGHWOKNQJTQBK-VYVDHXHBSA-N	353.447	3.196	30	40	FGEB	
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1)N1NC(=O)CC1=N	4538955	KDYAKARYKLSQMC-ACJLOTCBSA-N	361.430	3.359	30	40	FGEB	
COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3C#N)coc2c1	2662256	ZPHPJKHASBAOMB-UHFFFAOYSA-N	364.357	3.037	30	40	FGEB	
CS(=O)(=O)c1ccc(NN=C2CCN(c3ccc(F)cc3)CC2)cc1	60420944	MACDXLHETLMTEN-UHFFFAOYSA-N	361.442	3.298	30	40	FGEB	
C[C@@H](NC(=O)CSCC#N)c1cccc(NC(=O)c2ccccc2)c1	58227455	JOXOCMYQIFUFSM-CQSZACIVSA-N	353.447	3.373	30	40	FGEB	
COC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O	28182411	COAFSQXYCAQHOB-OCKHKDLRSA-N	363.369	3.346	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCc1ccccc1	12659833	UOTBPNDDJMUPDN-OBGHECQKSA-N	369.505	3.346	30	40	FGEB	biogenic
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1	4220904	CVBRJRDBMFASCW-OAQYLSRUSA-N	366.417	3.270	30	40	FGEB	
O=C1CSC(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)=N1	13897138	VQYHKRLNTBPPDW-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
COc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O	4453143	DSIAVEPNXLRBPZ-GOSISDBHSA-N	353.374	3.198	30	40	FGEB	
C=CCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)O	217608563	BXMIXVZNMBDJOC-CYBMUJFWSA-N	360.435	3.022	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	242495303	FZWCZLYJFXVTEJ-NLWGTHIKSA-N	369.442	3.008	30	40	FGEB	
C=CCCCC(=O)N[C@@]12CCC[C@H]1N(c1ncnc3scnc13)CC2	1775991369	LBDWJOCCOURKAC-FZKQIMNGSA-N	357.483	3.060	30	40	FGEB	
C/C(=N\Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cccs1	7780265	SUUXBWCPIKMQPD-QGOAFFKASA-N	364.496	3.154	30	40	FGEB	
CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1	12348202	MAIIATQAFOLHEH-HNNXBMFYSA-N	352.438	3.382	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1	1218164	LXOOXJMKYJYEMT-YVLHZVERSA-N	371.231	3.291	30	40	FGEB	
C=CCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12	2291898	ZKYYKGZKTOLYRK-UHFFFAOYSA-N	361.380	3.211	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	12931660	MWALMTJKXYVLMQ-BRWVUGGUSA-N	355.482	3.271	30	40	FGEB	
C#CCN(CC(=O)Nc1ccc(Br)cc1C)c1nccs1	79111128	QJNYHBMGEIDVCA-UHFFFAOYSA-N	364.268	3.292	30	40	FGEB	
C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C#N)CCCCCC2	79124021	ULSQQOOJSDZBEA-GXTWGEPZSA-N	359.495	3.380	30	40	FGEB	
C#CCn1cc(CN(C)C(=O)c2cc(-c3ccc(Cl)s3)on2)cn1	95966969	QOIPMKFMZFCQHV-UHFFFAOYSA-N	360.826	3.158	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)c1	408701268	VERJUMPPDWTIKF-UHFFFAOYSA-N	360.435	3.265	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)NC1=S	409008199	WJECKIHHHWGDGN-BOPFTXTBSA-N	363.442	3.215	30	40	FGEB	
C=CCOC[C@H]1CCC[C@]12CN(C(=O)c1ccc3[nH]ccc3c1)CCO2	96159909	WLZJXYFTJBNARI-NQIIRXRSSA-N	354.450	3.382	30	40	FGEB	
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1	14164869	UQHXWTKCBDKFAA-RFAUZJTJSA-N	359.227	3.309	30	40	FGEB	
N#Cc1cccc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1	58190984	JNJXGMNNTKGIAA-UHFFFAOYSA-N	357.377	3.095	30	40	FGEB	
Cc1sc2nc(SCC#CCO)n(-c3ccccc3)c(=O)c2c1C	8715424	BXKFMXZLPRVMHE-UHFFFAOYSA-N	356.472	3.152	30	40	FGEB	
COc1cc(/C=C/C(=O)NCCc2ccc(F)cc2)ccc1OCC#N	6305241	OIRZUMDGQTYFFX-WEVVVXLNSA-N	354.381	3.109	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	4422714	ABANPEPDRRQWIG-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1	5847693	QNTKWWCTLUNNQF-AWEZNQCLSA-N	366.446	3.008	30	40	FGEB	
Cc1[nH]c(=N)c(C#N)c(-c2ccc(OCC(=O)O)cc2)c1-c1ccccc1	408981577	VWLSHHGNCLRFMS-UHFFFAOYSA-N	359.385	3.472	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O	409138200	YSKYXCCWDNPUJS-XNTDXEJSSA-N	353.334	3.242	30	40	FGEB	
C[C@H](O/N=C(/N)Cc1ccccc1Cl)C(=O)Nc1cccc(C#N)c1	78695921	JFEILNUCIBCRLA-LBPRGKRZSA-N	356.813	3.070	30	40	FGEB	
C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1	43268997	QIBSZLLXIZMCMB-UHFFFAOYSA-N	369.406	3.134	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2cccc(F)c2)c1C	5795979	XVTQXVAUTSXQNX-UHFFFAOYSA-N	371.441	3.381	30	40	FGEB	
N#Cc1c(NC(=O)CS(=O)(=O)c2ccccc2)sc2c1CCCCC2	4496359	NDGZTRUZTIOJSA-UHFFFAOYSA-N	374.487	3.301	30	40	FGEB	
COc1ccc(CN(C)C(=O)COc2ccc(C#N)cc2Cl)cc1F	14248779	XDFTYATXCKFWCN-UHFFFAOYSA-N	362.788	3.397	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(OC)c2c1OCO2	15106092	KMENVGTUWDVBDJ-HWKANZROSA-N	370.357	3.100	30	40	FGEB	
CCOC(=O)C1=C(C)N=C(SCC#N)N[C@@H]1c1ccccc1OCC	408994348	YRAPZSGEFTZBBX-MRXNPFEDSA-N	359.451	3.179	30	40	FGEB	
COc1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cn1	408853346	NXIHBWTZVBESCL-YVLHZVERSA-N	366.215	3.033	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)Cc2cccc(Cl)c2)s1	225066337	GTYWYFNMCJYUKZ-UHFFFAOYSA-N	361.901	3.412	30	40	FGEB	
N#Cc1c(NC(=O)CCSc2nncs2)sc2c1CCCC2	11676277	IJHAWJPBCBOCNJ-UHFFFAOYSA-N	350.494	3.471	30	40	FGEB	
C=CCOc1c(Br)cc(CNC[C@H]2CCCO2)cc1OC	8470088	ANNPQGGBATUGLW-CYBMUJFWSA-N	356.260	3.291	30	40	FGEB	
C#CCN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O	12371074	RMOOQRQSPHLZKH-WQLSENKSSA-N	352.209	3.127	30	40	FGEB	
CC(C)CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C#N)cc2)c2ccccc21	3231207	QFZPAYQBEMCVAB-JOCHJYFZSA-N	362.429	3.412	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@H](C)CC1=O)N2	22608559	CCJVHVYHKBTEME-QFYYESIMSA-N	356.451	3.364	30	40	FGEB	
C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC	3662691	UIMUDVUNAZNWHD-VBKFSLOCSA-N	370.474	3.098	30	40	FGEB	
COc1cccc(/C=N/c2ccc(C)c(S(=O)(=O)N(C)C)c2)c1OC	6049530	RIHLFIWDNBGJKU-XDHOZWIPSA-N	362.451	3.013	30	40	FGEB	
N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21	5261919	SWNZAWCVOLSMRF-QUCCMNQESA-N	359.389	3.458	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1	4785417	BMWBXPPWYQHGKI-OMJMQIJPSA-N	351.453	3.148	30	40	FGEB	
O=C(O)COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1	5633174	BCPYMFQLPKSNFT-OQLLNIDSSA-N	372.377	3.181	30	40	FGEB	
CC(C)[C@@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCO2	6789665	FEULNZQJTYNPEU-OAQYLSRUSA-N	366.417	3.222	30	40	FGEB	
C=CCOc1ccc(Br)cc1/C=N/n1c(S)nnc1CC	408879393	FRAHDTISWWPGGX-CXUHLZMHSA-N	367.272	3.339	30	40	FGEB	
N#Cc1ccc(CCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1	24493022	UVOUDGJZJXNRPO-IBGZPJMESA-N	351.450	3.427	30	40	FGEB	
CC(=O)[C@]12O[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	118936712	IUQJWMVFSCOAHF-GPCRVATLSA-N	362.510	3.087	30	40	FGEB	
CCC(CC)CN1CCOC[C@]2(CC[C@@H](CNc3ccc(C#N)cn3)O2)C1	306127262	FTLMQFYPWPGWTE-FPOVZHCZSA-N	372.513	3.051	30	40	FGEB	
N#C[C@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218534542	SNQFDMZDBLOTRL-PMPSAXMXSA-N	367.257	3.154	30	40	FGEB	
Cc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1Cl	70462119	PJSDTHQJGWNJRA-UHFFFAOYSA-N	354.841	3.065	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)nc1	253472469	MOXITNNYESEQGH-OAHLLOKOSA-N	357.797	3.417	30	40	FGEB	
CC1(C)C(=O)N(c2ccccc2)/C(=N\C2CCCCC2)[C@@H]1N1CCOCC1	255187557	FIDLRCLALVYZQF-OBOGJDLMSA-N	369.509	3.491	30	40	FGEB	
CC1(C)OCC[C@H]1CNC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1	1776000391	ZZUWWOOXVPEJDV-AWEZNQCLSA-N	366.311	3.069	30	40	FGEB	
C=CCSCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1	58175199	FYRYOSDVKUIWMR-UHFFFAOYSA-N	364.474	3.470	30	40	FGEB	
CC(=O)C1=CC[C@H]2[C@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C	1569999107	XFTWQKLXXOBFBZ-OOMDKVSHSA-N	362.416	3.431	30	40	FGEB	
O=c1c2c3c(sc2ncn1/N=C/c1ccccc1[N+](=O)[O-])CCCC3	5583514	HDCDKLRIAXYPRN-DJKKODMXSA-N	354.391	3.127	30	40	FGEB	
Cc1cc(C)n2ncc(C(=O)Nc3sc4c(c3C#N)CCCC4)c2n1	821000	VVTXFKCHZJKLNE-UHFFFAOYSA-N	351.435	3.410	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c(OC)c1	12347548	ZZZLHJBKUOSTBK-OAHLLOKOSA-N	369.421	3.333	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21	100485533	QIOPUOUESPVFKX-LJQANCHMSA-N	350.418	3.284	30	40	FGEB	
C=CCn1c(C2CC2)nn(CN2CCN(c3ccccc3)CC2)c1=S	12553586	XZCKMNZXNZIDAO-UHFFFAOYSA-N	355.511	3.257	30	40	FGEB	
CCCCCCCCc1c(N2CCOCC2)nc2n(c1=O)CCCS2	2283747	GNLJJGYEKIJLBP-UHFFFAOYSA-N	365.543	3.479	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1	12755026	FTIUUKJDAZXFEF-ZHACJKMWSA-N	373.456	3.126	30	40	FGEB	
C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1	63812327	QMCTUBSDQVRJGR-UHFFFAOYSA-N	367.405	3.413	30	40	FGEB	
COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1	13777499	RHTMOXULXRBHJU-UHFFFAOYSA-N	351.401	3.419	30	40	FGEB	
N/C(=N/OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1	15572801	VMXATIVNUNWMPT-UHFFFAOYSA-N	361.873	3.062	30	40	FGEB	
COCCCn1c(SCC#N)nc2sc3c(c2c1=O)CCCS3	8945610	AGKZRZBWEZGCDL-UHFFFAOYSA-N	367.521	3.148	30	40	FGEB	
COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c1	7890332	TZBDOMSNRNVEAV-LJQANCHMSA-N	366.417	3.318	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)Nc1nc(-c2ccc[nH]2)cs1	9337730	AYLRRJUXMGIYMC-UHFFFAOYSA-N	368.418	3.426	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OCC	408929940	PZKKUIKKXCOANU-KOJZBUGZSA-N	364.854	3.283	30	40	FGEB	
COc1ccccc1COc1nn(Cc2ccccc2F)c(N)c1C#N	225841496	RIJMUNQNNGVYJE-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
C[C@@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O	607715725	MPYLDWFDPHRTEG-DMWIGETOSA-N	360.498	3.109	30	40	FGEB	
C=CCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21	1889001335	MZCJGLFKUMOXGW-UHFFFAOYSA-N	374.418	3.025	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC(COc3ccnc(C)c3)CC2)n1	1889108811	UICRPVPKFJALRI-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
N#Cc1c(NC(=O)c2ccno2)sc2c1CCN(Cc1ccccc1)C2	12443802	CGNORRRRDJCOIE-UHFFFAOYSA-N	364.430	3.418	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(SC)cc1	4944637	LXMCWYQPWVWJAH-CYBMUJFWSA-N	373.503	3.254	30	40	FGEB	
C=CCNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12	2628946	JQGFJUJSYHURFH-UHFFFAOYSA-N	352.415	3.422	30	40	FGEB	
C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@]1(C#N)N[C@]21C#N	104127360	QFPNFPGMFVZJDX-SSGKUCQKSA-N	351.409	3.334	30	40	FGEB	
COc1ccc(Br)c(C(=O)Nc2cc(C)nn2CCC#N)c1	58224829	GUEQORCIICCEEW-UHFFFAOYSA-N	363.215	3.129	30	40	FGEB	
C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3	2216652	LXMIWKGLIZWUTR-UHFFFAOYSA-N	372.479	3.019	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)COc2ccccc2)C(C)(C)c2ccccc21	18098626	LNXKGTZSWCTJRP-MOSHPQCFSA-N	365.429	3.489	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)c1	26081367	AOWGIBVGRYRCSJ-UHFFFAOYSA-N	369.852	3.048	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)n(C2CCCC2)c1C	14086551	PGLJUWRTWMHNSU-OKILXGFUSA-N	358.486	3.139	30	40	FGEB	
CCc1ccc(-n2cc(C(=O)c3cc(F)ccc3O)cc(C#N)c2=O)cc1	5862045	XGLPGARPKNRDBQ-UHFFFAOYSA-N	362.360	3.347	30	40	FGEB	
CCOC(=O)c1cc(OCc2ccccc2C#N)cc(C(=O)OCC)c1	18958213	DWXGMBVRJJIUOT-UHFFFAOYSA-N	353.374	3.491	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C	71825159	FEQLLFIPNNWYHN-YJBOKZPZSA-N	354.450	3.332	30	40	FGEB	
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1C	408924828	ORQUVZWVPIJCBE-AWQFTUOYSA-N	363.870	3.403	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1	218388821	CKXJBNJNUOWCRQ-BZSNNMDCSA-N	361.850	3.436	30	40	FGEB	
COc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1OCC#N	38206694	OQUMIXJSMZOSBE-AFPJDJCSSA-N	350.300	3.457	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1	225603178	AMFVLUWXGBRYTC-FJNZGUHISA-N	356.447	3.206	30	40	FGEB	
CN(C)C(=O)COc1ccc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)cc1	53105712	CMJOZGJIQYEDRZ-FPYGCLRLSA-N	360.391	3.019	30	40	FGEB	
C=CCn1c(COc2cccc(C)c2)nnc1S[C@@H](C)C(=O)NC1CC1	5869314	OKECOQXZDYTJJU-AWEZNQCLSA-N	372.494	3.111	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc2nccnc2c1	12407521	RRJZBVBKUUIYTD-MRXNPFEDSA-N	362.393	3.235	30	40	FGEB	
COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1	44027698	SYPNOLPRTGRPNP-RUDMXATFSA-N	358.390	3.331	30	40	FGEB	
N#CCSc1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O	3457672	YHAXLZYAAGPWFG-UHFFFAOYSA-N	367.352	3.121	30	40	FGEB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C(\C)C(C)C	5019968	NAHMUJHSCZPDFS-FOWTUZBSSA-N	356.448	3.069	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1	4220905	CVBRJRDBMFASCW-NRFANRHFSA-N	366.417	3.270	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1	8756216	YKRBKAFQMOXVIL-UHFFFAOYSA-N	369.490	3.132	30	40	FGEB	
Cc1cccc(-n2c(=O)c3sccc3n(Cc3cccc(C#N)c3)c2=O)c1	67258134	VZVWTPLOYFCZMS-UHFFFAOYSA-N	373.437	3.442	30	40	FGEB	
CCN(CC)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc1	16733527	HZYHAFPNSUJZEK-UHFFFAOYSA-N	371.506	3.020	30	40	FGEB	
COc1ccc(NC(=O)COc2c(Cl)cc(/C=N\O)cc2OC)cc1	33851357	QNIJVAWNAQWIBA-OCKHKDLRSA-N	364.785	3.183	30	40	FGEB	
N#Cc1cc2c(nc1N1CCc3c(ncn3CCc3ccccc3)C1)CCC2	543206562	RXVOFMYXJBAGQY-UHFFFAOYSA-N	369.472	3.444	30	40	FGEB	
COc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	5661403	HHHMFGQIDQYVHM-RGVLZGJSSA-N	354.797	3.341	30	40	FGEB	
N#Cc1cn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12	51319120	RTSAKNYJBHTGDH-UHFFFAOYSA-N	362.408	3.001	30	40	FGEB	
CCC(=O)N1CCN(c2oc(/C=C/c3ccc(Cl)cc3)nc2C#N)CC1	21799612	HPDVZMOKWZVPMM-VMPITWQZSA-N	370.840	3.429	30	40	FGEB	
COc1ccc(-c2cc(C#N)nc(N3CCN(c4ccccc4)CC3)n2)cc1	1253382	SDXOMHFJQQCIPI-UHFFFAOYSA-N	371.444	3.350	30	40	FGEB	aggregator
Cc1nnc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1-c1ccccc1	3386051	XCEAENIAFVZJTM-SCLBCKFNSA-N	357.483	3.111	30	40	FGEB	
C/N=c1\scc(-c2cc(OC)ccc2OC)n1/N=C(\C)c1ccncc1	5853653	PUZPQVNOGQJYOK-JVXANEAQSA-N	368.462	3.432	30	40	FGEB	
COc1cc(/C=N/N=C(\S)NCc2ccccc2)ccc1OCC#N	8855161	SUUOLUJIIWXWFO-FYJGNVAPSA-N	354.435	3.007	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(O)cc2)no1	9373735	XFLFRKMCFBVGSA-MRXNPFEDSA-N	366.329	3.065	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	225656118	WVGMOKCEXWYOMF-AABGKKOBSA-N	355.459	3.345	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(C)cc(C)c32)cc1OC	46084813	POXAJEWGKWVCJY-UZYVYHOESA-N	354.406	3.436	30	40	FGEB	
Cc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)nc2c1	12480773	VMZCWVVLYJXBRY-UHFFFAOYSA-N	356.429	3.377	30	40	FGEB	
COc1ccc(-c2nc(NCc3ccccc3F)nc(O)c2C#N)cc1	40129987	UTRXCLJZZWHSEO-UHFFFAOYSA-N	350.353	3.481	30	40	FGEB	
Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(C#N)cc1)SCC(O)=N2	20735653	XBNKRZZCDRZBJN-MRXNPFEDSA-N	362.418	3.267	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1Br	3287509	DJWMDMCAVIYYJH-UHFFFAOYSA-N	359.179	3.116	30	40	FGEB	
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(OC)c(OC)c1	10042012	YHHHMASHGGMNHJ-SOFNNGJSSA-N	371.389	3.445	30	40	FGEB	
Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc(C#N)cc1	50534751	QXKUBAVYHZJCRW-UHFFFAOYSA-N	373.503	3.221	30	40	FGEB	
CC(C)n1/c(=N/C(=O)c2ccco2)c(C#N)cc2c(=O)n3ccccc3cc21	13115645	WGYLGRKNLKPQND-FCDQGJHFSA-N	372.384	3.041	30	40	FGEB	
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1	8816493	MXNQNAGWVNDJDJ-ZDUSSCGKSA-N	369.808	3.212	30	40	FGEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)ccc1O	4679951	LVGSJMZGPVFUKY-SFHVURJKSA-N	352.390	3.302	30	40	FGEB	
COc1ccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)cc1	5930385	BBZXAVZKZKJCKH-UHFFFAOYSA-N	355.419	3.195	30	40	FGEB	
O=C(Cn1cc(/C=N\c2ccccc2F)c2ccccc21)N1CCOCC1	408962071	PNKGOSMMFVDWHI-QRVIBDJDSA-N	365.408	3.390	30	40	FGEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225078343	CUQLAZRWMCXZTD-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
CCCCCCCCCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O	604418745	VWTWZVUPJHKPPZ-SFHVURJKSA-N	373.497	3.384	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc(OC)c1O	4268134	FKODZJQMOSCERW-BQYQJAHWSA-N	352.342	3.412	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	13412576	MUYJSOCNDLUHPJ-XVNBXDOJSA-N	370.401	3.289	30	40	FGEB	endogenous,in-man
COc1ccc(/C=C2/CCS(=O)(=O)c3ccccc3C2=O)cc1OC	1652803	OCQXVXYYDHSRDG-KAMYIIQDSA-N	358.415	3.148	30	40	FGEB	
Cc1ccc2c(CSc3nc(N)c(C#N)cc3C#N)cc(=O)oc2c1C	12816932	PYSNCURXIIDNGM-UHFFFAOYSA-N	362.414	3.423	30	40	FGEB	
C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1sccc1C#N	30010178	UAOQYOIBNYLAIG-QMMMGPOBSA-N	351.334	3.380	30	40	FGEB	
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCC(=O)O	9973179	WHFAATJLQJWPTH-UHFFFAOYSA-N	372.760	3.275	30	40	FGEB	
COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OC)c3)S2)cc1	6545216	IYMKMHJVUHICNN-LFIBNONCSA-N	368.414	3.373	30	40	FGEB	
Cc1sc(NC(=O)Cn2nc(C(F)F)c3c2CCC3)c(C#N)c1C	36614212	QLNGAQQNAXMUCS-UHFFFAOYSA-N	350.394	3.498	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1	15184215	HZCDJSNLXSLZOO-UHFFFAOYSA-N	358.781	3.428	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccnc1)c1ccco1	4092038	WHBCRYGEYLKMGQ-SFHVURJKSA-N	360.369	3.453	30	40	FGEB	
CCCCCCCN1C(=S)N(C)C(=O)[C@H]1CC(=O)Nc1ccccc1	2728476	QYGGQSAWOKLVIZ-MRXNPFEDSA-N	361.511	3.413	30	40	FGEB	
O=C1CS/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N1c1ccccc1	100975156	SCZIXBPCPRBVDL-BMRADRMJSA-N	366.851	3.165	30	40	FGEB	
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1[N+](=O)[O-]	649885	KDTLDWCTDRQITO-UHFFFAOYSA-N	373.438	3.249	30	40	FGEB	
C=CCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)N(C)C)c1	47580739	OAXFTXOKFNTPIR-UHFFFAOYSA-N	367.449	3.374	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([C@@H](O)c2ccccc2)CC1	24763624	WFGIUVVFRSIWBR-KKSFZXQISA-N	363.461	3.331	30	40	FGEB	
Cc1ccccc1C(=O)N[C@H](/C(O)=N/S(=O)(=O)c1ccccc1)C(C)C	48404423	GNNDILCEUGJYIC-KRWDZBQOSA-N	374.462	3.095	30	40	FGEB	
O=S1(=O)CC[C@@H](/N=C/c2ccc(-c3ccc(Br)cc3)o2)C1	4159908	VMIVJZDHFRPAHT-LFMVTYOGSA-N	368.252	3.315	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c(OC)c1	5668898	LHNNABHKNGOSQM-SFHVURJKSA-N	371.364	3.332	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O	409140195	GCNRDTMXSBXKKA-CPNJWEJPSA-N	364.449	3.239	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	242701869	WOPVTRZZWMQKRO-RCCFBDPRSA-N	361.850	3.436	30	40	FGEB	
CN([C@H](CCc1ccccc1)C(F)F)S(=O)(=O)c1ccccc1C#N	599515271	CSEZBVHEINFUPW-MRXNPFEDSA-N	364.417	3.445	30	40	FGEB	
C#CCCC1(CCC(=O)N2CC3(CC3)c3ccccc3[C@H]2C(=O)O)N=N1	1616031400	MMRGVPILHMEFKB-KRWDZBQOSA-N	351.406	3.042	30	40	FGEB	
C[C@@H](C#N)OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	12335846	QGQYVHDKUODJTJ-NSHDSACASA-N	354.328	3.013	30	40	FGEB	
O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1ccccc1)CCC2	4889467	TVAOSZHGXNWJHB-UHFFFAOYSA-O	363.462	3.394	30	40	FGEB	
O=C(O)c1ccccc1/N=C/c1cc(I)ccc1O	101572101	JPXUDWRFRZGUON-LZYBPNLTSA-N	367.142	3.446	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)Nc2nc(CC(=O)OCC)cs2)cc1	10045490	BYRURMZMJXSFQS-JXMROGBWSA-N	372.446	3.465	30	40	FGEB	
C=CCSc1nnc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)s1	32925367	DZPXZGXGJBZLOQ-NSHDSACASA-N	370.887	3.325	30	40	FGEB	
Cc1ccc([C@@H](CN/C(=N\C(C)C)c2cccs2)N2CCOCC2)o1	57991416	BWPHNHOECMWBBC-MRXNPFEDSA-N	361.511	3.468	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CO/N=C(\C)c1cccs1	13305923	YKPDARVKSJRVBO-FYJGNVAPSA-N	357.435	3.043	30	40	FGEB	
O=[N+]([O-])c1ccccc1/C=N/Nc1ccc2nnc(-c3ccccc3)n2n1	4481381	VFJXSORVQRWSGF-XDHOZWIPSA-N	359.349	3.146	30	40	FGEB	
COc1cccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)c1	225842284	SRQMCIRBIJREDQ-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
COC(=O)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	1083809124	JHGGASHMWHSBLE-UHFFFAOYSA-N	372.130	3.280	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)C2CC2)c1	5617725	VRWDXFLSFSDLQP-STZFKDTASA-N	371.462	3.046	30	40	FGEB	
N#Cc1ncccc1N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1	1888890766	KRCAGAUOIXDTMF-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(F)(F)F)c2)c1	52471927	ZPPCFXRXZCIERR-UHFFFAOYSA-N	370.308	3.076	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccc(F)c2)no1	102803032	HXYBHXATMABPFL-UYTDBDHRSA-N	368.320	3.341	30	40	FGEB	
COc1cc(/C=N/Nc2ccccc2)cc(I)c1O	58625242	ALZXJJMFXJHPAP-CXUHLZMHSA-N	368.174	3.451	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1)n1cccn1	27079429	LWMAQKHJYQZJQC-CQSZACIVSA-N	359.389	3.207	30	40	FGEB	
COc1ccc(C(C)=O)cc1COC(=O)c1ccc(NC(=O)CC#N)cc1	3429180	TZNJPOMILGQZPS-UHFFFAOYSA-N	366.373	3.107	30	40	FGEB	
CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1OC	4181751	GLRXWYVMTQHFOU-SRZZPIQSSA-N	354.410	3.261	30	40	FGEB	
COc1cc(/C=C2\S/C(=N\c3ccc(O)cc3)NC2=O)cc(OC)c1O	4174742	PCLFSFQEDFZNSB-DHDCSXOGSA-N	372.402	3.007	30	40	FGEB	
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2)cc1	8937598	SQWMKDMGXUZUMZ-SGTLLEGYSA-N	373.482	3.015	30	40	FGEB	
C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)n[nH]c2C)cc1OC	85879550	KQLZJCRRYFCBSE-AWEZNQCLSA-N	360.410	3.082	30	40	FGEB	biogenic
Cc1ccc(CC/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	84148798	JQWRDALMZRBFNX-UHFFFAOYSA-N	361.419	3.044	30	40	FGEB	
N=C1NN(C(=O)c2ccccc2)C(=N)/C1=N\Nc1cccc(C(F)(F)F)c1	6060859	JWKWEHFGXHVBIP-YMIKEBHFSA-N	374.326	3.088	30	40	FGEB	
N#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(C1CCCCC1)C2	13512235	MRWDGQDWOVCQPV-UHFFFAOYSA-N	360.889	3.134	30	40	FGEB	
N#Cc1ccc(N2CCC[C@H]2c2nnc3n2CCCCC3)c([N+](=O)[O-])c1	54055978	JTQKYKIQIOCALH-HNNXBMFYSA-N	352.398	3.126	30	40	FGEB	
O=C(O)c1cc(NN=C2CCN(C(=O)c3ccoc3)CC2)ccc1Cl	43909320	ZZXNQQRBACUHSN-UHFFFAOYSA-N	361.785	3.335	30	40	FGEB	
COc1cc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1OCC#N	3317955	ZWEJVNKQNXTCRO-WEVVVXLNSA-N	368.345	3.262	30	40	FGEB	
O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1Cl	3539450	BHRMEYITBYHHGR-OAHLLOKOSA-N	373.865	3.456	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@@H]2NC[C@H](C(=O)O)S2)c2ccccc21	408979512	RFLYFXKQCVNJQT-RTBURBONSA-N	363.442	3.349	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccc(Cl)cc2O)cc1)N1CCOCC1	409237156	HTDWUARWSXOOMH-MTJSOVHGSA-N	374.824	3.034	30	40	FGEB	
C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CCOc1ccc(Cl)cc1	7267512	SIPKGAFWAQAQAA-HNNXBMFYSA-N	363.889	3.382	30	40	FGEB	
Cc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	17076595	MBBIBCFEDRREBN-WMZOPIPTSA-N	374.440	3.470	30	40	FGEB	
C=CCOc1ccc(C(=O)N2CCC[C@@]3(CCN3C(=O)C(C)C)C2)cc1	1565553480	ZVKFOTDZXTZUSW-OAQYLSRUSA-N	356.466	3.115	30	40	FGEB	
COCCNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N	8654677	DFBDIZOCEBVTJV-UHFFFAOYSA-N	369.377	3.452	30	40	FGEB	
CC(=O)Nc1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1Cl	22806780	WEEYGZABOOWITJ-GFCCVEGCSA-N	362.861	3.441	30	40	FGEB	
COc1cc2c(cc1OC)[C@H]1[C@@H](C)C(=O)C3=C(CC(C)(C)CC3=O)N1CC2	4023376	ISVXKYNDCWSYDP-MPBGBICISA-N	369.461	3.465	30	40	FGEB	biogenic
C=CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)nc1C	5027470	AOJOBGSNMLKXNC-UHFFFAOYSA-N	370.386	3.153	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccccc1OCc1ccccc1Cl	4422692	RZGIGDGJDGSQIH-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cccc(OC)c2O)cc1	5794759	RWSHLHQRLOLYBU-CPNJWEJPSA-N	362.451	3.182	30	40	FGEB	
O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)/C(=C(\O)c2ccc(Cl)cc2)C1=O	6909165	UUWWCGZXBZCMPD-FIPLFPIMSA-N	359.721	3.385	30	40	FGEB	
Cc1cc(C2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)[nH]n1	95992816	WHIBUYHUKVSMIK-UHFFFAOYSA-N	354.479	3.229	30	40	FGEB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	216769025	ZNRMRZVVCVNUFC-OAQYLSRUSA-N	359.433	3.296	30	40	FGEB	
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1	46035872	OJDYQAJRAQUDJW-NSHDSACASA-N	352.362	3.199	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@H](C[C@H](C)SCC)[C@H](C(=O)OCC)C1=O	254397977	GDYKIPWWXDATPK-KIWRYXACSA-N	369.527	3.129	30	40	FGEB	
COC(=O)[C@@H]1CC[C@@H]2[C@]34CCC5=CC(=O)CC[C@@]5([C@@H](OC)O3)[C@@H]4CC[C@]21C	254567561	RWKSXLXAGGNKPV-SBTDHBFYSA-N	374.477	3.413	30	40	FGEB	
N#Cc1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1	5684977	UDCWPLCEVLZYIO-ROUUACIJSA-N	350.399	3.341	30	40	FGEB	
N#Cc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1	4224276	VGFOOGVEFKJLDZ-QGZVFWFLSA-N	363.398	3.460	30	40	FGEB	
C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N1CCOCC1	40067647	NRRZKJSQDNKPTL-OXQOHEQNSA-N	364.449	3.142	30	40	FGEB	
CCC/C(NCCc1ccccc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	100745608	ZHXAREUKELDLIZ-WHPBDHBRSA-N	371.477	3.230	30	40	FGEB	biogenic
CCOc1ccc(N/N=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1	100532654	XQKOPJHAECODRU-JZJYNLBNSA-N	367.365	3.184	30	40	FGEB	
CCCCCCCCCCCC[N+](C)(C)C[C@H](O)CS(=O)(=O)O	100050172	DDGPBVIAYDDWDH-KRWDZBQOSA-O	352.561	3.232	30	40	FGEB	
N#CC1(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCCC1	24436068	LXVHKMULRAMUQG-INIZCTEOSA-N	356.426	3.010	30	40	FGEB	
CO[C@@H]1CC[C@@H]2CC[C@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	101043033	YDOUAVFJRIGNQS-ZSHCYNCHSA-N	350.484	3.245	30	40	FGEB	
Cc1cc(Br)ccc1SCC(=O)N[C@@]1(C#N)CCSC1	58179476	RZGAPNVWKPKDMG-CQSZACIVSA-N	371.325	3.365	30	40	FGEB	
Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)c(C#N)c1C	58192010	QKICZHXIJGESLI-MRXNPFEDSA-N	373.254	3.306	30	40	FGEB	
C=CCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1	8554541	ZJOACDNZNNSURG-YBFXNURJSA-N	373.463	3.125	30	40	FGEB	
CCc1nnc(S/C(=C\c2cn(CC#N)c3ccccc23)C(=O)O)o1	408630767	COGXXCGMNIAKEU-ZROIWOOFSA-N	354.391	3.328	30	40	FGEB	
CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O	9498280	HATHTOHCGOZPPW-HXUWFJFHSA-N	367.380	3.063	30	40	FGEB	
Cc1ccc(C)c(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408743060	YYWSLTRHGZHGDC-BBJIBYMTSA-N	351.431	3.070	30	40	FGEB	
N#CC1(F)CCN(Cc2cccc(CN3CCC(F)(C#N)CC3)c2)CC1	510955294	WWENWYIZMOKWAX-UHFFFAOYSA-N	358.436	3.342	30	40	FGEB	
COc1cc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccc1SC	58197851	VSFFBEZRHXFYLR-UHFFFAOYSA-N	362.476	3.109	30	40	FGEB	
C[C@H](Oc1cccc(C(=O)/C=C/c2cccc3c2OCCO3)c1)C(=O)O	62692643	KSPCKMJPSHLHNX-XEHSLEBBSA-N	354.358	3.206	30	40	FGEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	4722534	VSGTWMOZGFNRPM-RSWUNGFYSA-N	360.494	3.055	30	40	FGEB	biogenic,in-vitro
O=c1c2ccccc2nc(SC/C(O)=N/c2ncn[nH]2)n1C1CCCC1	33175311	KPXYJDLEWLJJKU-UHFFFAOYSA-N	370.438	3.010	30	40	FGEB	
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2Cl)CC1	57024447	YCLPZGVPPYCUIQ-INIZCTEOSA-N	374.916	3.193	30	40	FGEB	
CCCC(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1	36629287	QNSSNIBQKPRZOQ-VOTSOKGWSA-N	356.451	3.227	30	40	FGEB	
CCCCCOc1ccc(/C=N/Nc2cc(N3CCOCC3)ncn2)cc1	4015886	CTVOADHDZGJVSL-HZHRSRAPSA-N	369.469	3.328	30	40	FGEB	
C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCN1CC(F)(F)F	92103186	PVOCITMDROZKDO-OAHLLOKOSA-N	354.420	3.105	30	40	FGEB	
CCOC(=O)COc1ccccc1/C=C1\Oc2cc(OC)ccc2C1=O	4339475	GSHGGLQEEAEDBD-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3O)S2)cc1	4699601	FBKAGLVZUSJHIV-XNTDXEJSSA-N	354.387	3.070	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2C1=O	14423184	RVERJFUZNJUTKH-UHFFFAOYSA-N	360.413	3.370	30	40	FGEB	
CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3)C(=O)NC2=S)cc1	4738570	RWVLXEZYROKOKM-DORSJAEJSA-N	351.431	3.015	30	40	FGEB	
CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	7109155	FRVYWIYUGUCWBO-MRXNPFEDSA-N	371.481	3.421	30	40	FGEB	
N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1Cl	14685966	HIDBYITWIVGLOI-UHFFFAOYSA-N	370.764	3.460	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)Nc3ccc(C)cc3)S2)cc1	12378000	MTENWJVVCLXOBV-MRXNPFEDSA-N	369.446	3.252	30	40	FGEB	
Cc1cccc2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12	2086867275	CXGHWBWEFRTLKA-HZPDHXFCSA-N	361.474	3.444	30	40	FGEB	
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC	846401	XDWOYKUMSGRBHX-SFHVURJKSA-N	352.390	3.215	30	40	FGEB	
N#Cc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1	968796	HALQGNYTLKYDHV-UHFFFAOYSA-N	358.405	3.050	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccc1F	102541081	JDPCUCWOWCJGAW-GROYHEBESA-N	373.380	3.185	30	40	FGEB	
C=CCNC(=O)CSc1nc(N)c(-c2ccc(Cl)cc2)c(CC)n1	25054862	BNTYAEWHIAKKIN-UHFFFAOYSA-N	362.886	3.336	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1	58208912	RMZZVTFBIUDSEU-KRWDZBQOSA-N	354.479	3.398	30	40	FGEB	
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1	8468010	MHBAXUMNOUMEGG-SFHVURJKSA-N	368.433	3.036	30	40	FGEB	
C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccco1)O2	6166875	IDFLOTIBAMZFNZ-IXIUHKBRSA-N	358.357	3.402	30	40	FGEB	
C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)cn3)ccc2c1=O	9470098	PCECLJRZSLPNLZ-UHFFFAOYSA-N	352.419	3.201	30	40	FGEB	
CC(C)N(CCC#N)C(=O)Nc1cccc(Cl)c1N1CCOCC1	75105190	BEBNAXXGVZNCDY-UHFFFAOYSA-N	350.850	3.333	30	40	FGEB	
Cc1cc(C#N)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1	587290836	KWQZFJSZEVGUBM-UHFFFAOYSA-N	374.366	3.243	30	40	FGEB	
CS(=O)(=O)OC(C(F)(F)F)(C(F)(F)F)C(Cl)(Cl)Cl	885164197	QEJUXLIOILKVQJ-UHFFFAOYSA-N	363.490	3.196	30	40	FGEB	
CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Cl)c1OC(C)=O	5651964	UWBUAWPATGEYEG-ROMCCWAQSA-N	368.842	3.196	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1OC	12347802	VXVSKGNRLRGRPG-OAHLLOKOSA-N	369.421	3.333	30	40	FGEB	
N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@H]1c1ccc(Cl)cc1	14163227	YPXIEQTWADRGOJ-GJZGRUSLSA-N	364.792	3.455	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2cc(Br)ccc2-n2cncn2)cc1	51987379	HGHISVRGTCGSMR-UHFFFAOYSA-N	368.194	3.154	30	40	FGEB	
C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1	2656940	MABJRAVWPUIQDD-UHFFFAOYSA-N	374.491	3.118	30	40	FGEB	aggregator
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccccc3C#N)cc2)n1	2653554	VGZRBDTZWZMYOA-UHFFFAOYSA-N	374.400	3.156	30	40	FGEB	
CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC(c2cccc(F)c2)=NO1	44573574	WSTGCQRAMQTAOH-LJQANCHMSA-N	369.371	3.378	30	40	FGEB	
Cc1cs/c(=N/N=C/c2cc([N+](=O)[O-])ccc2O)n1-c1ccccc1	35999456	RWUJUTLMFAZODK-PLZFDSBDSA-N	354.391	3.396	30	40	FGEB	
CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	2244378	NBFLXMDWICBNDH-HZPDHXFCSA-N	365.481	3.390	30	40	FGEB	
CN(C)C(=O)Sc1ccc(CO/N=C(/N)c2ccc(N(C)C)cc2)cc1	84489620	OUSDGDPFDXCBMO-UHFFFAOYSA-N	372.494	3.363	30	40	FGEB	
C#CCOC(=O)c1ccc(-c2ccc(I)cc2)o1	216768855	XDVXWEQAJNYELV-UHFFFAOYSA-N	352.127	3.341	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccccc3OCC#N)C2=O)s1	135992615	ZSYDBFJIDXXMNF-CJTIDNFOSA-N	370.459	3.421	30	40	FGEB	
C[C@@H]1Oc2ccc(NC3=C(Cl)C(=O)c4ccccc4C3=O)cc2NC1=O	40546346	KVHDMEPYFAGLHH-VIFPVBQESA-N	368.776	3.348	30	40	FGEB	
COc1ccc([C@]2(C)NC(=O)N(/N=C\C3=CC[C@H]4C[C@H]3C4(C)C)C2=O)cc1	585139657	WLTAYVJOTRVOHA-RNXSQXDISA-N	367.449	3.440	30	40	FGEB	
COCCC/N=C(\S)NCCNc1nc2c(C)c(C)ccc2cc1C#N	13658141	BOCIYZZRGOGZPQ-UHFFFAOYSA-N	371.510	3.047	30	40	FGEB	
CCc1nc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[nH]c(=O)c1C#N	5239016	FAEFTHHNARJCCG-ZDUSSCGKSA-N	370.478	3.249	30	40	FGEB	
COc1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc(C)s2)c(OC)c1	40129894	DLHSDBAQXDACJU-SOFGYWHQSA-N	367.448	3.432	30	40	FGEB	
CCN(Cc1ccc(C#N)cc1F)Cn1ncc(Cl)c(Cl)c1=O	47404860	NSAMXPCTUJGXLL-UHFFFAOYSA-N	355.200	3.040	30	40	FGEB	
C/C(=N/OCO/N=C(\C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	12407067	KOGBPMZGURTFBC-AYRZQKSOSA-N	370.361	3.283	30	40	FGEB	
CCOc1ccc2c(c1)O/C(=C\c1ccc(OCC(=O)OC)cc1)C2=O	4478680	JXUPEXHCMGHMEI-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
C[C@@H](C(=O)Nc1cccc(C#N)c1)n1nnc(-c2ccccc2Cl)n1	8221438	RWOZBQNISRLHLV-NSHDSACASA-N	352.785	3.065	30	40	FGEB	
S=C(N/N=C\c1ccc(I)o1)Nc1ccccc1	408997112	REXGLWPYIWZMQV-ZSOIEALJSA-N	371.203	3.205	30	40	FGEB	
COc1ccc(C)nc1N=C(O)N1CCCN2c3ccccc3C[C@@H]2C1	329840584	NFRDJIMYKKESJQ-MRXNPFEDSA-N	352.438	3.081	30	40	FGEB	
Cc1c(C)c2ccc(OC/C(O)=N/c3nc(CC(C)C)n[nH]3)cc2oc1=O	95475379	IYVIUOSTBINFDK-UHFFFAOYSA-N	370.409	3.393	30	40	FGEB	biogenic
COc1cc(C(=O)/C=C/Nc2ccccc2C(=O)O)cc(OC)c1OC	2094651	LREDRRCMDPGAQV-CMDGGOBGSA-N	357.362	3.219	30	40	FGEB	
CC(=O)N1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1	24374936	XUYCCJCZMUZZBL-UHFFFAOYSA-N	365.458	3.014	30	40	FGEB	
CS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	10252669	FADYXCLGQVPEOC-UHFFFAOYSA-N	374.487	3.083	30	40	FGEB	
CCCCCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	101653981	LZPIHIXPFCQPDH-JKSUJKDBSA-N	356.507	3.488	30	40	FGEB	
N#CC1(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)CCCCCC1	32906653	RSQQZJYYAGWKSK-UHFFFAOYSA-N	374.916	3.195	30	40	FGEB	
CC[C@@H]1CCc2sc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc2C1	22565031	WAGHFADOBBNMTK-CQSZACIVSA-N	373.478	3.076	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1	105182542	NNGBVDMCFAWBHN-GEUFLNSRSA-N	363.461	3.064	30	40	FGEB	
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(C)s2)S1	409078420	CQCFNUVJCGAENW-XFXZXTDPSA-N	365.476	3.404	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1	48333287	MTWLFYKFVIUJBS-AWEZNQCLSA-N	358.467	3.157	30	40	FGEB	
CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]	6570680	ZLWMBZQHUXZJJP-QPJJXVBHSA-N	354.362	3.328	30	40	FGEB	aggregator
C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)NC1(C#N)CCCCC1	5872525	JZPHINJQFRZWBQ-NSHDSACASA-N	352.793	3.367	30	40	FGEB	
N#Cc1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1	7927235	HYVZRNVUMRWPDM-KRWDZBQOSA-N	355.463	3.239	30	40	FGEB	
CC/N=C1/S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC	16677625	GBRVMTXTLBRRKE-FTRNENOISA-N	373.400	3.374	30	40	FGEB	
CCOC(=O)c1cccc(/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)c1	409246819	DWGYGMGMNWNMIS-KUARTLJMSA-N	371.389	3.474	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2ccc(Cl)cc21	46084719	QUDZAHIAVSQHRF-JZJYNLBNSA-N	360.797	3.343	30	40	FGEB	
COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1	245253800	FWYZDSDQDGMKDH-UHFFFAOYSA-N	367.493	3.472	30	40	FGEB	
N#Cc1cccnc1N1CCC2(CC1)C[C@@H]2c1nc(-c2cccnc2)no1	69842434	IWEFUFMFFRNYMC-MRXNPFEDSA-N	358.405	3.172	30	40	FGEB	
COc1ccc(/C=C/C(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)cc1	575614056	VTYDPAVJZGOWDO-AIADIJKESA-N	363.417	3.045	30	40	FGEB	
CC(=O)Nc1cc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1F	24363387	GXUXMRBBULLMCB-UHFFFAOYSA-N	360.776	3.360	30	40	FGEB	
CC(C)COC(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCC2)c1	58161758	OVRPCCYKIMPVGF-UHFFFAOYSA-N	358.442	3.256	30	40	FGEB	
COc1cc(CC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC	3438242	LDAXTUCWWABXJH-UHFFFAOYSA-N	360.797	3.419	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Br)s1	5163825	DFJVWLOLTBWYEF-NTEUORMPSA-N	359.270	3.213	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1	4785800	XAGSVFRZXCLTER-HVUCNDOSSA-N	367.452	3.407	30	40	FGEB	
CCc1nc([C@@H](C#N)C(=O)c2cccc(N3CCNC3=O)c2)sc1C	75123354	XGUGIEOMGHOANS-AWEZNQCLSA-N	354.435	3.034	30	40	FGEB	
C=CCOc1c(CC=C)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC	409079324	JJPNZJBENHRJCF-LFIBNONCSA-N	372.446	3.095	30	40	FGEB	
Cc1ccccc1-n1nc(C(=O)O)c(/C=C/c2ccccc2)c(C#N)c1=O	409205666	JETHZYJXQOVALR-VAWYXSNFSA-N	357.369	3.281	30	40	FGEB	
CC[C@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409361538	DAMNOLSLGFXIOB-ZDUSSCGKSA-N	367.405	3.170	30	40	FGEB	
N#Cc1ncccc1S(=O)(=O)N1CC2(CCCC2)c2cccc(F)c21	583477367	FTFOJBHALNIKKY-UHFFFAOYSA-N	357.410	3.113	30	40	FGEB	
C/C(=C/C(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc([N+](=O)[O-])cc1	16292021	HSPGHBXRMKPMCN-QBFSEMIESA-N	355.350	3.107	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(F)cc2)no1	102804499	ZCUWFSBMYCPBBI-IBOXJLQUSA-N	368.320	3.341	30	40	FGEB	
C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@H](C)O1	67979145	JYLCJGPEKZGYDR-IRXDYDNUSA-N	363.461	3.097	30	40	FGEB	
O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	16956789	NYLBMKGERVQNCX-INIZCTEOSA-N	371.776	3.003	30	40	FGEB	
CCN(CC)c1ccc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)cc1	2742431	FCLVKQUZGWODEE-DEDYPNTBSA-N	351.458	3.117	30	40	FGEB	
CCOc1cc(OCC)c(C(=O)/C=C(\O)C(=O)OC)cc1Br	100027847	STAVHTFKSMAFDG-GHXNOFRVSA-N	373.199	3.044	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1	10674740	WEERXVUGOVNQQP-UHFFFAOYSA-N	366.402	3.251	30	40	FGEB	
Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1	13759318	OQINKTBWYFHMRK-UHFFFAOYSA-O	350.417	3.475	30	40	FGEB	
CCc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccccc1	40387817	OPNJXINEFKVJJU-UHFFFAOYSA-N	350.447	3.203	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1	225603115	AMFVLUWXGBRYTC-KUTPLIDGSA-N	356.447	3.206	30	40	FGEB	
CCCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N=C2C[C@H](C)ON2)cc1	670417809	HKUBEFLRTMGJLJ-YJBOKZPZSA-N	373.497	3.412	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	980721	XPACBFAEZIPDRT-QGMBQPNBSA-N	351.815	3.116	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/C[C@H]2CCCN3CCCC[C@H]23)c2c(c1)COCO2	5943654	LCQLZWUKIDJILB-UIBRDTJHSA-N	359.426	3.145	30	40	FGEB	
COc1ccc(CC/N=C2\NN=C(c3ccc(F)cc3)CS2)cc1OC	21323491	JSZXHCMCSIQMOG-UHFFFAOYSA-N	373.453	3.482	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc(-n3cccc3)c2)n1	6606667	GTGYLMNABCUOAH-INIZCTEOSA-N	365.414	3.276	30	40	FGEB	
COc1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1[N+](=O)[O-]	11238937	OAQOXLGTILEEOE-UHFFFAOYSA-N	351.318	3.085	30	40	FGEB	
COc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c(OC)c1	4380211	XJHMYJSAOXKGPZ-FYJGNVAPSA-N	374.404	3.279	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccnc2)no1	6275836	ZOVIWNFXGXEEPL-OAHLLOKOSA-N	367.386	3.222	30	40	FGEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1	19582283	AYIWERIBWSDEPI-QGZVFWFLSA-N	370.474	3.278	30	40	FGEB	
C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1sccc1C#N	9835890	YDBRESUDODCDBE-ZETCQYMHSA-N	361.477	3.326	30	40	FGEB	
Cc1ccc(C)c(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1	256047014	JRNAXRDOXJGTOU-UHFFFAOYSA-N	358.449	3.082	30	40	FGEB	
Cn1c(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc2ccccc21	56631913	GZWUBGZPTOMRQS-UHFFFAOYSA-N	358.445	3.402	30	40	FGEB	
Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)c(=O)c1C#N	13691103	GIFNQIWTVNCPFE-UHFFFAOYSA-N	363.442	3.318	30	40	FGEB	
COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccc(OC)c(OC)c1	4851323	DEVUYAUSXHMJTM-HMMYKYKNSA-N	357.362	3.056	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1C	1964993	SKKXPALWSIDZDX-UHFFFAOYSA-N	359.363	3.265	30	40	FGEB	
CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1cccs1	3322461	YVQABBGVWXVOCL-INIZCTEOSA-N	363.512	3.173	30	40	FGEB	
C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1	3427678	MXBNPOXFEPYUSG-UHFFFAOYSA-N	367.496	3.435	30	40	FGEB	
N#Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)c1	9335665	LYOHVTKKBMPTKH-UHFFFAOYSA-N	350.374	3.321	30	40	FGEB	
Cc1cc(/C(=C\N(C)C)C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)on1	91297362	IXMLVLDVMKFJBA-YEQVNJDRSA-N	363.458	3.102	30	40	FGEB	
Cc1c(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(C#N)n1C	96634912	WQXRMABMVGFCBC-NVNXTCNLSA-N	357.316	3.151	30	40	FGEB	
Cc1[nH]c2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc2c1C	89721187	ICFZRTHFECHVNH-UHFFFAOYSA-N	350.447	3.499	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1	409246144	FRIXIHGOCFVSJV-DQAKUKQTSA-N	357.362	3.084	30	40	FGEB	
CC1CCN([C@H](CNC(=O)N2CCC(C#N)CC2)c2ccccc2)CC1	57994700	FSQABTWUELAAQW-HXUWFJFHSA-N	354.498	3.405	30	40	FGEB	
C=C[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O	1131676	BBZAWPZMNHEPLP-IQGJIOQQSA-N	358.463	3.442	30	40	FGEB	
Cc1csc(C(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1	1614928262	BDIYDIUJPWKPKC-HXUWFJFHSA-N	365.458	3.197	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)cc2)cc1OC	8321918	PZQLNRQSADCGGR-ONNFQVAWSA-N	356.374	3.453	30	40	FGEB	
CCCCOc1ccc(/C=N/N=c2\[nH]n3cnnc3c3ccccc23)cc1	1814924	DMVXHILWXOEFRU-FYJGNVAPSA-N	360.421	3.324	30	40	FGEB	
N/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1	5602339	IWOBFXBOJJCKCO-UHFFFAOYSA-N	363.442	3.228	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCCO2)n(-c2ccccc2)c1C	89545095	ZTWCXEQGDRYFJV-SFHVURJKSA-N	366.465	3.015	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(C)c21	100909864	RNTMDDIXSGDHCV-HNENSFHCSA-N	351.387	3.294	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3ccccc3)o2)n1	7829846	CLNLRXFMPDAQAB-CYBMUJFWSA-N	370.459	3.394	30	40	FGEB	
N#C[C@H](/C=N\NC(=S)N/N=C/[C@@H](C#N)c1ccccc1)c1ccccc1	8615990	UWZJEMIGAXVKBG-SSPFCCGYSA-N	360.446	3.037	30	40	FGEB	
C=CCn1c(COc2ccccc2F)nnc1SCc1nccn1C	48355251	IIQMJERYEZECCU-UHFFFAOYSA-N	359.430	3.208	30	40	FGEB	
Cc1oc(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)c(C#N)c1C	12910097	YRHCNXNAKTVTGE-UHFFFAOYSA-N	351.406	3.202	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	18219456	QFRKOZJMXSAPON-OAHLLOKOSA-N	356.451	3.364	30	40	FGEB	
CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408719473	PUOZFWQDQFQMQI-INIZCTEOSA-N	357.391	3.237	30	40	FGEB	
Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccccc1	409407611	MZKZRQRWSPFDRM-CPLUKWAASA-N	359.429	3.235	30	40	FGEB	
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)Cc3cccs3)C2)n1	81813483	AXPHDTPYJYQWAX-INIZCTEOSA-N	354.479	3.198	30	40	FGEB	
CCN1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2C(=O)OC)C1	4223508	AIOFSBNBBFUAPL-UHFFFAOYSA-N	369.446	3.037	30	40	FGEB	
Cc1nc(NC(=N)/N=C(\O)Cc2ccc([N+](=O)[O-])cc2)nc2ccccc12	27834717	XWDDSTNBVGWDNM-UHFFFAOYSA-N	364.365	3.392	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc1	12722060	CAJFAFINVIEJHF-UHFFFAOYSA-N	372.764	3.278	30	40	FGEB	
Cc1cn(CN2CCC[C@H](C(F)(F)F)C2)c(=O)n1-c1cccc(C#N)c1	48289294	SREXFUTWXVXKJY-HNNXBMFYSA-N	364.371	3.051	30	40	FGEB	
C=CCn1c(Cc2csc(NC(=O)c3ccccc3)n2)n[nH]c1=S	12899984	YXUVDPLWLGOAQI-UHFFFAOYSA-N	357.464	3.426	30	40	FGEB	
C[C@H](Oc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1)C(=O)O	15013349	KKDOEYJWNUUQOA-JTMDUIFQSA-N	354.406	3.126	30	40	FGEB	
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)c1	409016131	SKGXCYWEPITYIT-VBKFSLOCSA-N	369.446	3.316	30	40	FGEB	
N#Cc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	8020990	FNDKGCPVYOFKPE-UHFFFAOYSA-N	350.378	3.322	30	40	FGEB	
COc1ccc(C[C@H](NC(=O)CSCC#N)c2ccc(OC)cc2)cc1	32711239	UFZXAHKTCMCGSR-IBGZPJMESA-N	370.474	3.361	30	40	FGEB	
CCCCCCCCCCC[C@H]1N=C(N)NC(CCCO)=C1C(=O)OC	72138629	BWFIOIDJTVTWPS-MRXNPFEDSA-N	367.534	3.393	30	40	FGEB	
Cc1cc([C@@H]2CCCN(/C(O)=N/[C@H]3COc4c(C)cccc4C3)C2)n[nH]1	329611237	JPHUCTIATVOELJ-IAGOWNOFSA-N	354.454	3.124	30	40	FGEB	
C=CCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1	225924043	GSSPKKDDQBPCRW-UHFFFAOYSA-N	355.467	3.342	30	40	FGEB	
CCCCc1nc(OCC(=O)N(CC)CC)c(C#N)c2c1COC(C)(C)C2	95473097	DKJBMMPARNHRIC-UHFFFAOYSA-N	373.497	3.394	30	40	FGEB	
Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cccs1)O2	20573228	XXFZAKDBLIROIC-BOPFTXTBSA-N	370.474	3.126	30	40	FGEB	
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)ccc1O	44891147	DNOYAIGBCXARMU-GOSISDBHSA-N	364.405	3.127	30	40	FGEB	
O=C1O[C@@H](c2cccc([N+](=O)[O-])c2)/C(=C(\O)c2ccc(Cl)cc2)C1=O	102894028	ZXUMCKDJBBAFKA-FIPLFPIMSA-N	359.721	3.385	30	40	FGEB	
CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCOCC2)o1	27748701	CZPIOWFOFMYZGW-SFHVURJKSA-N	354.454	3.230	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1	2361699	LVWJTFCGVXJZPS-UHFFFAOYSA-N	369.425	3.396	30	40	FGEB	
C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1	12825190	VKOIXBUVODMCCH-AWEZNQCLSA-N	370.478	3.264	30	40	FGEB	
COc1ccc(N2CCC(=O)C(c3nc4ccccc4s3)=C2N)cc1	5009344	HRQMLGAEMAEOFW-UHFFFAOYSA-N	351.431	3.412	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc(Cl)c4)c(O)nc3c2c1	8914251	RPNIPLCHNSAWCQ-AWQFTUOYSA-N	368.780	3.128	30	40	FGEB	
CN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)c(C#N)cc2C1	19852653	PCELSYLQMHUTFC-UHFFFAOYSA-N	372.881	3.325	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	218441575	GTCSQDMZECGCNI-HZPDHXFCSA-N	360.797	3.452	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)COc2ccc(Cl)cc2)CC1	96102860	FESUDQVLPGDNGS-UHFFFAOYSA-N	371.824	3.055	30	40	FGEB	
CN(CC1CCN(c2ccc(C#N)nc2)CC1)c1ncnc(C2CC2)c1F	2086968264	HZWIPOZBXKMVES-UHFFFAOYSA-N	366.444	3.113	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1	4870432	NBMXGTKYSVHZPJ-MRXNPFEDSA-N	359.353	3.034	30	40	FGEB	
Cc1ccc(-c2noc(=O)n2CC(=O)Nc2sc(C)c(C)c2C#N)cc1	1332569	NIXMMQLJIFPCMB-UHFFFAOYSA-N	368.418	3.000	30	40	FGEB	
COc1ccc(-c2nnc(S)n2/N=C\c2ccc(OC)cc2OC)cc1	4679290	PYSDDYAEUJQQIW-ODLFYWEKSA-N	370.434	3.142	30	40	FGEB	
C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1ccccc1	4965230	DNXGGYXZDNLNON-MRXNPFEDSA-N	372.494	3.212	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc3ncsc3c2)n1	6606150	AVMDGPUXXXLSAS-NSHDSACASA-N	357.416	3.095	30	40	FGEB	
CCOC(=O)C(=O)/C=C\[C@H]1[C@@H](NC(=O)OCc2ccccc2)C=CC[C@H]1C	8655638	DSVLISNTLNSKSI-OHZKTXODSA-N	371.433	3.182	30	40	FGEB	
Cc1ccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1	21005795	YGNSSHYVMLTHPO-CVEARBPZSA-N	371.400	3.046	30	40	FGEB	
COc1ccc([C@H](C(C#N)C#N)[C@H]2C(=O)N(Cc3ccccc3)N=C2C)cc1	100564434	ZGSADVBBLAYEOQ-LEWJYISDSA-N	372.428	3.477	30	40	FGEB	
Cc1nc(C(=O)N[C@H](C#N)c2ccccc2F)nn1-c1ccc(Cl)cc1	108799349	SQSWOUATFOEMOD-MRXNPFEDSA-N	369.787	3.363	30	40	FGEB	
CC(C)(C)c1nc(C#N)c(NC[C@H](c2ccccc2)N2CCOCC2)o1	27745229	VTUGUNWBKPZQBP-QGZVFWFLSA-N	354.454	3.329	30	40	FGEB	
Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2sccc2C#N)c1	8709429	YJERYLKLQZCFSB-NSHDSACASA-N	370.463	3.023	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccco1	4503554	RVKMPBQLBDDTNU-UHFFFAOYSA-N	361.452	3.220	30	40	FGEB	
COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(CCC(C)C)C1=O	4715859	QKMLBJMTSWPFMZ-ASAAXKBXSA-N	350.415	3.492	30	40	FGEB	
NC(=O)Cn1cc(/C=N\c2ccc(Cl)c(C(=O)O)c2)c2ccccc21	409386780	XPTCWZAKJVGJGF-WNFQYIGGSA-N	355.781	3.229	30	40	FGEB	
CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC	97949537	XXAORGCPRBPUAA-UHFFFAOYSA-N	352.504	3.286	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)CCn1ncc(=O)c2ccccc21	40009588	NBQZMFWOSKCHAM-UHFFFAOYSA-N	353.447	3.063	30	40	FGEB	
CCN(CC)C(=O)C[N@@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	253614793	BSMILUQLIZISAB-VWLOTQADSA-N	363.590	3.031	30	40	FGEB	
O=S1(=O)CC[C@H](N(/N=C/c2c[nH]c3ccccc23)c2ccccc2)C1	5330095	LOGHWOKNQJTQBK-RSZPVBOMSA-N	353.447	3.196	30	40	FGEB	
CCOC(=O)[C@H](C#N)[C@H](c1ccc2c(c1)OCO2)c1ccccc1OC	915653	VUELZPLNAANNNG-DNVCBOLYSA-N	353.374	3.259	30	40	FGEB	
O=C(/C=C/c1ccco1)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21	2430413	IQDXFJIPIURZCG-QDLOVBKTSA-N	352.173	3.399	30	40	FGEB	
COc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1	13770025	BPJYREOJCBFXLG-UHFFFAOYSA-O	362.453	3.345	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccccn1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195653	GNIHLJSEVQPTSI-GOSISDBHSA-N	358.401	3.125	30	40	FGEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccco1	6785202	ZPNWIFBOYGYYQL-IBOXJLQUSA-N	374.462	3.105	30	40	FGEB	
C=CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C	7550915	BGQHBPKJLVPECB-AWEZNQCLSA-N	365.227	3.148	30	40	FGEB	
Cc1ccc(C(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1	8053397	NXNPSRFTRSJPLR-KBOKABMXSA-N	358.463	3.064	30	40	FGEB	
C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccccc1C#N	9379203	PRKSVCRLEVDRNB-SECBINFHSA-N	355.448	3.264	30	40	FGEB	
O=C1CSC(=S)N1/N=C\c1c[nH]c2ccc(Br)cc12	71164222	IEDJIGQFRWFTAK-WCSRMQSCSA-N	354.254	3.125	30	40	FGEB	
C[C@](C#N)(NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1CC1	7763679	YIYSXLGMOFSSHQ-QGZVFWFLSA-N	373.507	3.242	30	40	FGEB	
C=C(Br)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl	49281025	FPMMLNDMIZKGAR-UHFFFAOYSA-N	354.635	3.473	30	40	FGEB	
CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(C#N)c(Cl)c(F)cc2c1=O	255190806	ZPJCSNZAOHLQMN-CMPLNLGQSA-N	352.724	3.125	30	40	FGEB	
CCOc1ccc(N(CCC#N)C(=O)CN2CCOc3ccccc32)cc1	59019125	KWSSSFXOZUIXDN-UHFFFAOYSA-N	365.433	3.231	30	40	FGEB	
CC(C)(C)OC(=O)n1cnc(C#Cc2cn(C(=O)OC(C)(C)C)cn2)c1	1772714642	CXPCMNHGTYZBAJ-UHFFFAOYSA-N	358.398	3.046	30	40	FGEB	
CC[C@H]1CCc2c(sc(NC(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C#N)C1	13322474	KUIIAAFIFVHUFW-IHRRRGAJSA-N	361.511	3.182	30	40	FGEB	
CC1=NN[C@@H]2N[C@@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@H]12	16607992	NWKTUUJCENYCME-IHPCNDPISA-N	352.482	3.004	30	40	FGEB	
N#Cc1ccsc1NC(=O)CCSc1nncn1-c1ccccc1F	32869800	LHOPWIHMCJOOOC-UHFFFAOYSA-N	373.438	3.460	30	40	FGEB	
O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1	102802344	ILOCMCDTNSLWQE-BCTIHFFESA-N	363.413	3.287	30	40	FGEB	
Cc1nc(C(C)(C)C)sc1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1	61067181	VUYYKUVKBGCATR-UHFFFAOYSA-N	363.464	3.314	30	40	FGEB	
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1	21838329	MNRDIRYXTLGSLW-HOTGVXAUSA-N	358.438	3.315	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1	36308417	XXORVHVMNCJQDC-LBPRGKRZSA-N	373.400	3.278	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)c2ccccc2)CC1	10832660	VVHOOOHFYSEEET-INIZCTEOSA-N	361.445	3.480	30	40	FGEB	
C=CCn1c(SCC(=O)NC(C)(C)C)nc2ccc(Cl)cc2c1=O	3369861	XPKCPKWVKFZBTR-UHFFFAOYSA-N	365.886	3.243	30	40	FGEB	
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1	5129598	ACLRSJBDQIGLOM-NYYWCZLTSA-N	350.418	3.378	30	40	FGEB	
Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NC1(C#N)CCCCC1	9457752	RXRGDQYZCYUANJ-UHFFFAOYSA-N	367.405	3.150	30	40	FGEB	
O=C(O)c1ccc(N/N=C/c2cc3c4c(c2O)CCCN4CCC3)cc1	35441695	OZSZOJJHFVKYMC-CIAFOILYSA-N	351.406	3.235	30	40	FGEB	
CNC(=S)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1	35178955	UGBIDMIFIUOYPB-UKWGHVSLSA-N	351.834	3.486	30	40	FGEB	
CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2	13763789	JHVTUKGYDKKDFN-UHFFFAOYSA-N	374.554	3.304	30	40	FGEB	
CN(C(=O)COC(=O)c1cc2c(s1)CCCC2)C1(C#N)CCCCC1	4462061	PEIDWJKILBTRLV-UHFFFAOYSA-N	360.479	3.469	30	40	FGEB	
O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc(-n2cnnn2)c1	29206836	QASYDNWSKYEGAA-UHFFFAOYSA-N	371.425	3.376	30	40	FGEB	
O=C(O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1	96487386	QJWLICDFSGIBPB-BSBNDGSWSA-N	372.421	3.475	30	40	FGEB	
COc1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1	4127414	NIQNGEJIBOTJBP-LNKGRISISA-N	362.389	3.204	30	40	FGEB	
CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2	4517747	VXOVJQQPKDFIJW-UHFFFAOYSA-N	360.460	3.154	30	40	FGEB	
CCCN1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(OCC)c3)c2C1	23118437	KPELWMRVIUXJAM-UHFFFAOYSA-N	366.465	3.378	30	40	FGEB	
CC(C)OCCCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N	13729487	BMZYQJNQUJGQQW-UHFFFAOYSA-N	357.479	3.137	30	40	FGEB	
Cc1cc(C)c(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)n1	12462436	PZEXTBFYKGQKMQ-UHFFFAOYSA-N	362.773	3.046	30	40	FGEB	
CCCCCCC(=O)N(O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	101038016	BUBNWQTYHRMCGT-AWEZNQCLSA-N	352.818	3.160	30	40	FGEB	
CC(=O)O/N=C\c1c(Nc2cccc(Cl)c2)nc2c(C)cccn2c1=O	27986148	XLGYCDUYNDVUDQ-JMIUGGIZSA-N	370.796	3.297	30	40	FGEB	
COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1	7469119	JFPYZLGWMAFGCQ-OAQYLSRUSA-N	363.417	3.010	30	40	FGEB	
CCO/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	96511648	QZBODYXURJJURS-VBKFSLOCSA-N	361.375	3.129	30	40	FGEB	
C[C@@]12CC[C@@H]3C[C@]1(C#N)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@]32C	245241533	IBOQWGXLOPOUKM-GQAVTEOGSA-N	370.365	3.047	30	40	FGEB	
O=C1C(Cl)=C(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)c2ccccc21	100253613	LRXIEXKHUQKMSZ-UHFFFAOYSA-N	373.708	3.445	30	40	FGEB	
CC(C)(C)c1ccc2nnc(C3CCN(c4ncccc4C#N)CC3)n2n1	585581165	NTMZHPYGGLKZRP-UHFFFAOYSA-N	361.453	3.072	30	40	FGEB	
Cc1sc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c(C#N)c1C	8332612	CBHFWEQXCLNVEX-UHFFFAOYSA-N	357.366	3.043	30	40	FGEB	
COc1cc2c(cc1OC)[C@H]1C/C(=N\O)C3=C(CC(C)(C)CC3=O)N1CC2	8743004	QPTNZZKQMQPSHW-QQHUYRGFSA-N	370.449	3.480	30	40	FGEB	biogenic
Cc1ccccc1S(=O)(=O)/N=C(O)/C=C/c1ccc2c(c1)OCCO2	46928109	ZMRGTNNIQKEMOO-VQHVLOKHSA-N	359.403	3.125	30	40	FGEB	
CC1=CC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	105298710	QLAPPSIXOBEVQR-DHMGIUOZSA-N	366.373	3.465	30	40	FGEB	
COc1ccc(OC)c(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c1	35324597	NZDAFDYQKAGGAQ-FNORWQNLSA-N	372.373	3.346	30	40	FGEB	
CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1	2062690	ZAHCKZYCYKHVSN-QFIPXVFZSA-N	362.429	3.360	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccnc2)no1	9312466	VMVIVFPBHRLGBU-MRXNPFEDSA-N	365.345	3.062	30	40	FGEB	
Cc1ccc2nc(CSc3nc(C4CC4)nc(C)c3C#N)cc(=O)n2c1	12889406	RRAWHJSHXXQEGI-UHFFFAOYSA-N	363.446	3.143	30	40	FGEB	
C=CCNC(=O)CSc1nnc([C@@H](CC)N(C)C)n1C1CCCCC1	3447935	PACZNSRERWVTMU-OAHLLOKOSA-N	365.547	3.190	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	4412221	VQQIHKMJLORKDS-INIZCTEOSA-N	355.467	3.088	30	40	FGEB	
C=CCN(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1ccccc1	8755778	BEGQOESDGUGISL-UHFFFAOYSA-N	372.490	3.373	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C#N)cc2)c1	8709402	CUPFDTXRMQRSAN-UHFFFAOYSA-N	371.462	3.150	30	40	FGEB	
COc1ccc(/N=C\c2ccc(O)c(I)c2)cn1	408905010	RXKYUPGZTCXOPS-CHHVJCJISA-N	354.147	3.151	30	40	FGEB	
CCn1cccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O	409281201	KQNYIZFGLNZKDD-UHFFFAOYSA-N	359.227	3.171	30	40	FGEB	
COc1ccc([C@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	218127277	BKBNHTNUGHKWSB-IKGGRYGDSA-N	350.823	3.103	30	40	FGEB	
C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	224821205	RPBZVSQNEVSNSQ-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
C#CCOc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC	12344309	KCBOZPRSRHDPIJ-UHFFFAOYSA-N	365.473	3.499	30	40	FGEB	
Cc1nc(C2CC2)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1C	1888843876	QTUFQWJYUSSUQZ-UHFFFAOYSA-N	368.872	3.218	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C#N)C1	5189786	WLXSHJCRIZNEID-LBPRGKRZSA-N	374.487	3.157	30	40	FGEB	
Cc1cc(Br)ccc1NC(=O)CO/N=C(\N)c1cccs1	50513174	AWFDJPGRGZPYOM-UHFFFAOYSA-N	368.256	3.095	30	40	FGEB	
CC(C)NC(=O)C(C#N)(Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1	3282611	CFYPWIQKXFQLOG-UHFFFAOYSA-N	356.429	3.250	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC	20763040	AEGQQINKPYOYJM-CIAFOILYSA-N	358.825	3.493	30	40	FGEB	
N#Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2	939907	VOTXGPDHJJICAZ-UHFFFAOYSA-N	357.391	3.424	30	40	FGEB	
CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1	2302497	WITMKAFPMXVFNQ-OAHLLOKOSA-N	351.454	3.144	30	40	FGEB	
COc1cc(CCC(=O)OCc2cc(C#N)ccc2F)cc(OC)c1OC	11199831	PUOUXYQPZVDEBS-UHFFFAOYSA-N	373.380	3.399	30	40	FGEB	
C=CCN(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	12751152	NAMIKKOBHVRCIR-UHFFFAOYSA-N	374.462	3.031	30	40	FGEB	
COc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1	4090563	HYLCGZJXNLQVEO-AQTBWJFISA-N	351.402	3.226	30	40	FGEB	biogenic
C(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccco1	13896019	MEHOTBYPNNGRLG-HMMYKYKNSA-N	354.458	3.496	30	40	FGEB	
N#CCCN(/N=C/c1ccccc1Cl)C1=NS(=O)(=O)c2ccccc21	6226821	PFRIJCXNVAFBTI-UDWIEESQSA-N	372.837	3.039	30	40	FGEB	
C=CCSC1=N/C(=C\c2ccc(OC(C)=O)c([N+](=O)[O-])c2)C(=O)S1	15016428	JXXSGIFPJNAMHA-XFFZJAGNSA-N	364.404	3.410	30	40	FGEB	
C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@@H](C(C)=O)C(=O)N2c1ccc(C)cc1	15321204	VWGVBEZKZHABEQ-NJYVYQBISA-N	361.445	3.360	30	40	FGEB	
CC1CCN(C/C(O)=N/c2nc3ccc(S(C)(=O)=O)cc3s2)CC1	26439201	KQSWTTZYTOMHIS-UHFFFAOYSA-N	367.496	3.020	30	40	FGEB	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	12656774	WQGCFNGITAJFSI-IEZWGBDMSA-N	373.449	3.484	30	40	FGEB	
CN(C)c1cc[n+]([C@H]2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1	6437320	KPRZGXWSEJRIHL-FQEVSTJZSA-N	358.421	3.142	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1	105644804	LSJKRDNFIMUTBO-FKYDJDFASA-N	360.413	3.380	30	40	FGEB	
CCN(CC)c1ccc(/N=C/c2cccc(OC)c2OCC(N)=O)cc1	100384120	RVQSMDIYJPUJSN-LPYMAVHISA-N	355.438	3.156	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(C(=O)c2ccccc2)CC1	10832836	HMUSNWBATUHGAP-MRXNPFEDSA-N	361.445	3.480	30	40	FGEB	
CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1	48300343	UWXJLQHNTJVVGC-UHFFFAOYSA-N	352.413	3.362	30	40	FGEB	
CCO/C(O)=N/c1ccc2c(CN3CCC(C(=N)O)CC3)cc(=O)oc2c1	82108719	YMVBETOKGWQWQJ-UHFFFAOYSA-N	373.409	3.122	30	40	FGEB	
COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc(OC)c1OC	4159734	PGSUHINUVWTFLE-ZDUSSCGKSA-N	365.389	3.089	30	40	FGEB	
N#Cc1nc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)ccc1Cl	67369656	HSGNLJZKUZYGBC-UHFFFAOYSA-N	371.824	3.496	30	40	FGEB	
Cc1ccc/c(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)[nH]1	15986218	NPIPMSWNTCCXSB-UHFFFAOYSA-N	351.431	3.060	30	40	FGEB	
COc1ccccc1CN/N=C/c1ccc(I)o1	20761691	NZWYNHONWYVZMG-CXUHLZMHSA-N	356.163	3.017	30	40	FGEB	
COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)c1	16718812	JDDJQHINZMQYIX-SXGWCWSVSA-N	356.403	3.301	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N1C	408929643	LZGFPNNQLNSQJO-CRQMPAQMSA-N	356.403	3.485	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)c(C)c1	409241634	KTHBVNAKMOMCEZ-SRRANQMSSA-N	371.389	3.393	30	40	FGEB	
COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc2c1C[C@@H](C(C)(C)O)O2	33832260	FMKHMNBODOXQLQ-IUYMFKLXSA-N	354.402	3.371	30	40	FGEB	endogenous,in-man
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O	408917364	SAHNSOXQEMALLK-UKTHLTGXSA-N	351.811	3.417	30	40	FGEB	
COc1ccc(/C=C2\CCS(=O)(=O)c3ccccc3C2=O)cc1OC	31895395	OCQXVXYYDHSRDG-SDNWHVSQSA-N	358.415	3.148	30	40	FGEB	
CCN1CCN(c2c(N)cc(C#N)n2Cc2cccc3ccccc23)CC1	225869989	LAXOLKFXDJRQED-UHFFFAOYSA-N	359.477	3.285	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cn1	225926643	GGSBHBUGDZPBEJ-UHFFFAOYSA-N	369.465	3.158	30	40	FGEB	
CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21	250354117	XPEIGOKUIMTXJQ-OJXQAQOKSA-N	359.429	3.048	30	40	FGEB	
Cc1ccc(Br)c(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)c1	616169778	BYGCFTWYOABNGP-UHFFFAOYSA-N	369.284	3.357	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)NC1CCN(C(=O)C(C)C)CC1	58289594	HTDVWKUEXOUFPQ-UHFFFAOYSA-N	357.498	3.074	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2c(O)cc(OC)c(OC)c2OC)cc1OC	15274477	YYGVWBCOVUSNQT-SOFGYWHQSA-N	374.389	3.331	30	40	FGEB	
Cc1cccc2c1N(C)C(=O)/C2=C1\S/C(=N\c2ccc(F)cc2)NC1=O	101007338	XZGRXEODAQASTD-PEZBUJJGSA-N	367.405	3.372	30	40	FGEB	
N#Cc1c2c(c(=O)n3c4ccccc4n(CC(=O)c4ccccc4)c13)CCC2	2585279	MPCBNKVWAOWOPM-UHFFFAOYSA-N	367.408	3.497	30	40	FGEB	
CCOC(=O)/C(=N/Cc1ccco1)NNc1cccc(C(F)(F)F)c1	3167608	WXGKBHHIUSMJIO-UHFFFAOYSA-N	355.316	3.377	30	40	FGEB	
N#C[C@H](C(=O)CCCNCCc1ccccc1)c1nc(O)c2ccccc2n1	25328874	GUMYGGASXISCBB-GOSISDBHSA-N	374.444	3.124	30	40	FGEB	
COc1cc(/C=[N+](\[O-])c2ccc(Br)cc2)cc([N+](=O)[O-])c1O	1890133	OKCUVEGLIWFZNT-PXNMLYILSA-N	367.155	3.332	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C)cc1	4194093	MBVINEBMAKCDED-CQSZACIVSA-N	353.447	3.365	30	40	FGEB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/OCc1cccc([N+](=O)[O-])c1	408591760	KGIUBIJYBHZYJG-RQZCQDPDSA-N	361.310	3.071	30	40	FGEB	
Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1	35671213	GUHKDEQPOLRSJM-UHFFFAOYSA-N	353.357	3.428	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	218471509	HITWJLUVHAKRPZ-CEXWTWQISA-N	359.422	3.312	30	40	FGEB	
C=CCNC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(C)c(C)c1	48991272	VVADZYUXCFLZIU-UHFFFAOYSA-N	364.492	3.106	30	40	FGEB	
COc1cc(C(C)=O)ccc1OCC(=O)Nc1sc(C)c(C)c1C#N	40159347	JOVMUJGHIGYLDK-UHFFFAOYSA-N	358.419	3.465	30	40	FGEB	
C#CCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1	5063882	DEZFZPSRFQVCIO-UHFFFAOYSA-N	363.457	3.217	30	40	FGEB	
C=CCN(C(=O)CN1CCSC1=O)c1nc(-c2ccccc2)cs1	12687689	NCKCKINEOHHPHU-UHFFFAOYSA-N	359.476	3.498	30	40	FGEB	
CCOC(C/N=C/c1cccc(/C=N/CC(OCC)OCC)c1)OCC	13403665	WARYMYCLVRBKOK-JFMUQQRKSA-N	364.486	3.323	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C)nn32)cc1OC	13121759	JDVKRVMWWAUZBD-GOSISDBHSA-N	368.437	3.262	30	40	FGEB	
N#Cc1cn(C2CC2)c(=O)n(Cc2sc3ccccc3c2Cl)c1=O	29750573	MMPHVPMKAFUNQR-UHFFFAOYSA-N	357.822	3.133	30	40	FGEB	
C[C@@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	900595	HCYXJDLNWMBUHZ-RDDDGLTNSA-N	366.759	3.066	30	40	FGEB	
N#Cc1nc(CC(=O)c2ccccc2)c(CC(=O)c2ccccc2)nc1C#N	1588971	MGXTZENGXJVWNL-UHFFFAOYSA-N	366.380	3.071	30	40	FGEB	
Cc1ccc(C(=O)O[C@H]2C[C@H](C#N)O[C@@H]2OC(=O)c2ccc(C)cc2)cc1	3843071	UUBJJUZTRMIKPY-LVCYWYKZSA-N	365.385	3.324	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(Cl)c1	8744792	KVTKUWOKXNWONR-LBPRGKRZSA-N	357.841	3.327	30	40	FGEB	
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)cc1	8739471	QEWVDHROKJXSQZ-QGZVFWFLSA-N	373.412	3.476	30	40	FGEB	
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2sccc2C1	22137490	GNLDALCPPWNTKO-ZDUSSCGKSA-N	364.430	3.034	30	40	FGEB	
N#CC1(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCCC1	24436071	LXVHKMULRAMUQG-MRXNPFEDSA-N	356.426	3.010	30	40	FGEB	
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O	58185305	BFFMODZOKVMCOE-IBGZPJMESA-N	362.414	3.135	30	40	FGEB	
COc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1	2259006	VLJDUYMLWQZMGR-UHFFFAOYSA-N	353.447	3.126	30	40	FGEB	
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	4141843	VOSIPQAIPKUIDN-CJTUPEFNSA-N	356.447	3.350	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)n1nnnc1N2	18190392	GHKJURRQERSDHQ-HXUWFJFHSA-N	373.416	3.274	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O	13841703	IUUFIWYGOFJTLQ-XNTDXEJSSA-N	352.346	3.032	30	40	FGEB	
N#Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3ccccc3)CC1)O2	225823652	LAIZQHWWXORLDN-UHFFFAOYSA-N	360.413	3.127	30	40	FGEB	
COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	583616150	QNKWOLAFQPVFAY-TZIWHRDSSA-N	350.418	3.079	30	40	FGEB	
Cc1ccc2ncc(C#N)c(OCc3nnc([C@@H]4CCCOC4)o3)c2c1	591694657	HXFJOEZOOVZZSY-CYBMUJFWSA-N	350.378	3.271	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C#N)cc2)NC(=O)N1	5417047	TUPSCYYCKPGQQH-KRWDZBQOSA-N	366.808	3.478	30	40	FGEB	
COC1=C(Nc2ccccc2)C(=O)C(OC)=C(Nc2ccccc2)C1=O	1598430	IHTOJODSKPFMID-UHFFFAOYSA-N	350.374	3.078	30	40	FGEB	
C=CCn1c(S[C@H]2CCCCNC2=O)nc2sc(C)c(C)c2c1=O	32871685	CZLMMASWRQRDBN-LBPRGKRZSA-N	363.508	3.022	30	40	FGEB	
COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1	102437726	DGUJWXBGBOXUPO-MRXNPFEDSA-N	350.422	3.215	30	40	FGEB	
COc1ccc(N2C[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1	28262986	MSFSBUQBZUJYQA-CYBMUJFWSA-N	369.446	3.237	30	40	FGEB	
C=CCSc1nnc(NC(=O)CSCc2c(C)noc2C)s1	5937812	GUAZMAVIACTRPB-UHFFFAOYSA-N	356.498	3.293	30	40	FGEB	
N#C[C@H](NC(=O)Cn1ncc2ccccc21)c1ccc(OC(F)(F)F)cc1	530877155	GPRPKNFCFNRBTM-HNNXBMFYSA-N	374.322	3.316	30	40	FGEB	
COc1ccc(CN/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1	409058275	KICKTCZHBAATPD-MDZDMXLPSA-N	357.406	3.207	30	40	FGEB	
CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C#N)cc3)n2)cn1	35426230	SSWIWNROIXSIMF-SFHVURJKSA-N	374.448	3.406	30	40	FGEB	biogenic,in-vitro
CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C)o2)C3=O)CC1	22859940	NYCNGQODCNTVOE-UNOMPAQXSA-N	368.433	3.047	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1	103511935	HWCIEFUVZHUVAW-SFHVURJKSA-N	355.825	3.495	30	40	FGEB	
Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccccc2C#N)CC1	3455787	GFGLZJSEUMNUQW-UHFFFAOYSA-N	369.852	3.248	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1	409246145	FRIXIHGOCFVSJV-ZICWZVMQSA-N	357.362	3.084	30	40	FGEB	
COc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)c(OC)c1	8943085	KJHQXFXNFBBGJB-UHFFFAOYSA-N	359.451	3.098	30	40	FGEB	
Cc1cc(C(=O)N(C)C2(C#N)CCC2)c(C)n1-c1ccc2c(c1)OCCO2	67683307	BNCKTWGGYIMXJG-UHFFFAOYSA-N	365.433	3.384	30	40	FGEB	
Cc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@@H](C)CC1=O)N2	22608121	BJCFJWMOTDPJDU-VPTHRUTESA-N	373.800	3.416	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C2/CCCc3ccccc32)nc1	34867554	NETMQTWYSWMZSA-UZYVYHOESA-N	372.494	3.265	30	40	FGEB	
CC(C)(C)n1nnc(CC(=O)Nc2sc(-c3ccccc3)cc2C#N)n1	598808518	ROSAXHUZXYGYSO-UHFFFAOYSA-N	366.450	3.209	30	40	FGEB	
CCOC(=O)C1CCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1	57307766	BXKJSTMNWQPNKU-XSFVSMFZSA-N	370.493	3.142	30	40	FGEB	
CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(SC)cc2)cc1	3270516	YPFZOFDLIHVQDV-SFQUDFHCSA-N	350.465	3.120	30	40	FGEB	
CC/N=C1\S/C(=C\c2cc(Br)ccc2O)C(=O)N1CC	17167633	BIZXHHNBBFMHIH-ZAPVNNSISA-N	355.257	3.467	30	40	FGEB	
Cc1ccc2nc(N=C3NCN(C4CCCCCC4)CN3)nc(C)c2c1	19325302	ZHFRFJFPOWDISP-UHFFFAOYSA-N	352.486	3.367	30	40	FGEB	
Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccccc1)O2	20572936	FWVTXJYUQNEJEP-PDGQHHTCSA-N	351.402	3.149	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1	795003	VPGFXBBLAOOTDO-RHSMWYFYSA-N	371.364	3.176	30	40	FGEB	
Cc1ccccc1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2	16956847	OWYNMKRXQFKGHD-UHFFFAOYSA-O	350.417	3.475	30	40	FGEB	
COc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1OC	651055	CFUJKFQVNRVLPX-DJKKODMXSA-N	357.435	3.283	30	40	FGEB	
COc1ccc(CN/N=C/c2ccc(O)c(Br)c2)cc1OC	20195702	ISEXWZTWCGRLMZ-GIJQJNRQSA-N	365.227	3.296	30	40	FGEB	
C[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	97922804	BTXLHCQLUCSQPL-RDTXWAMCSA-N	368.437	3.078	30	40	FGEB	
CC(C)(C)COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1	409363194	UXHQONYTAZHNJO-UHFFFAOYSA-N	351.406	3.409	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc2c(c1)OCCO2	224836936	ZWADTPRUNRLTDE-UHFFFAOYSA-N	367.373	3.117	30	40	FGEB	
CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1	1475307	SPELTPMWDIAMTD-DEDYPNTBSA-N	352.467	3.357	30	40	FGEB	
NS(=O)(=O)c1ccc(N/C=C\C(=O)c2cccc3ccccc23)cc1	5448842	KLAQUVAFVVCBIM-SEYXRHQNSA-N	352.415	3.296	30	40	FGEB	
CCOC(=O)C(=C/N=C(\S)Nc1cc(C)ccc1C)C(=O)OCC	5499628	XOEBMJKTMLFNDP-UHFFFAOYSA-N	350.440	3.011	30	40	FGEB	
COC(=O)c1ccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)cc1	20591638	HKCLHPJFPNJQRK-YVLHZVERSA-N	367.401	3.165	30	40	FGEB	
CNc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1[N+](=O)[O-]	21323001	CBTTXGRVNZFZDI-LHJMJDNXSA-N	370.361	3.385	30	40	FGEB	
C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1	4498317	RYPYAFBWKOZYPZ-QGZVFWFLSA-N	350.418	3.239	30	40	FGEB	
C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O	4908754	HNRVMRIRNAGTFB-PLMTUMEDSA-N	370.449	3.023	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(C)cc1	102730066	VYRISYJODJTKLP-GROYHEBESA-N	355.390	3.046	30	40	FGEB	
O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1	20646773	XYWVXHYDLYVFTL-JAIQZWGSSA-N	371.396	3.445	30	40	FGEB	
N#Cc1ccc(N2CCN(Cc3csc(-c4ccsc4)n3)CC2)nc1	12909690	ZKLIARGTCLVKRT-UHFFFAOYSA-N	367.503	3.460	30	40	FGEB	
N#Cc1ccc(OCCN2CCN(c3nsc4ccccc34)CC2)cc1	13683128	BELXMXFUGYBELV-UHFFFAOYSA-N	364.474	3.369	30	40	FGEB	
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1CCc1ccc(Cl)cc1	14143444	ASMABDKFUQAFMG-UHFFFAOYSA-N	367.840	3.347	30	40	FGEB	
N#Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3n2c1N	6589174	DEUPNJKZJUFUBG-UHFFFAOYSA-N	357.329	3.081	30	40	FGEB	
CCOc1ccc(NC(=O)CO/N=C(\C)c2ccc3c(c2)OCCO3)cc1	6649547	KCKGRJTZUFIEOQ-HYARGMPZSA-N	370.405	3.236	30	40	FGEB	
C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccc(C#N)cc1	9647694	PPNAUTBXKUPBBN-VIFPVBQESA-N	355.448	3.264	30	40	FGEB	
COc1cccc(/C=N/c2ccc(C(=O)O)cc2C)c1O[C@@H](C)C(=O)O	409233607	GTJQNCNDUITHKU-QDBSGRMGSA-N	357.362	3.304	30	40	FGEB	
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1	70462100	AIDRTUYBBYIOSA-UHFFFAOYSA-N	362.477	3.400	30	40	FGEB	
Cc1cc(C(F)(F)F)nc(N/N=C/c2ccn(CC(F)(F)F)n2)n1	225391511	XQNIPFYEBMZJLA-PTXOJBNSSA-N	352.242	3.009	30	40	FGEB	
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1	225964104	KRWDCYDRTPLRDV-UHFFFAOYSA-N	369.446	3.256	30	40	FGEB	
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCNC2=O	596970743	GFZGYVMZXOTDQO-UXHICEINSA-N	374.444	3.276	30	40	FGEB	
C=CCOc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	13717386	NTJIWIWAADBDTG-UHFFFAOYSA-N	364.401	3.266	30	40	FGEB	
Cc1ccc(CN2CCN(/N=C\c3ccc(C(=O)O)cc3)CC2)c(C)c1	15745956	ZFGRDCJWKYHPFY-HMAPJEAMSA-N	351.450	3.153	30	40	FGEB	
CCOc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)ccc1OC	46708973	WQLDOZFTICBUDM-UHFFFAOYSA-N	369.826	3.441	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1	23717730	NXMYTEUIDCOAGJ-UHFFFAOYSA-N	368.506	3.120	30	40	FGEB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	118917710	MOQTVGQHEGMMDS-SHKBYVEVSA-N	361.555	3.499	30	40	FGEB	
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1	8468048	MHBAXUMNOUMEGG-GOSISDBHSA-N	368.433	3.036	30	40	FGEB	
C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	19087701	HAFHCKQRQUDOEX-KRWDZBQOSA-N	364.357	3.359	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc(F)c1)n1ncnc1N2	9484261	NRJCUPNUCZIDTF-KZULUSFZSA-N	350.353	3.426	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1	67197864	OJVMKFVSQFKWIH-UHFFFAOYSA-N	362.307	3.050	30	40	FGEB	
C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC1=CCCCC1	217453625	NLRNINTTXXNHKZ-UHFFFAOYSA-N	364.467	3.152	30	40	FGEB	
CN(C)c1ccc([C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(C#N)C(=O)O)c(Br)c1	245285583	XTYSSMRBGBHTIB-BFMBFUHESA-N	361.239	3.399	30	40	FGEB	
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cccc(Br)c1	14164876	UQHXWTKCBDKFAA-PSLIRLAXSA-N	359.227	3.309	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1	100710833	RBUFIKDCAXIWHP-WFASDCNBSA-N	355.419	3.392	30	40	FGEB	
CC1(C)CC(=O)C(=CNCc2cc(Cl)c3c(c2)OCCCO3)C(=O)C1	101018556	IDGCGKHTKPFWLZ-UHFFFAOYSA-N	363.841	3.433	30	40	FGEB	
CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	1355174	ODFSEAWIPBVYCB-UHFFFAOYSA-N	359.451	3.084	30	40	FGEB	
CC(C)(C)c1ccc(C2CC(=O)C(=CNCCc3c[nH]cn3)C(=O)C2)cc1	100432840	OCTOVWULTQQOQM-UHFFFAOYSA-N	365.477	3.439	30	40	FGEB	
S=C(NCCc1ccccc1)N/N=C/c1cccc(Br)c1	3238085	ZUXOPQTTWCOCMW-XDHOZWIPSA-N	362.296	3.490	30	40	FGEB	
C[C@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(-n2ccnc2)cc1	12749972	WNJWDHDUMYBDKJ-HNNXBMFYSA-N	373.416	3.215	30	40	FGEB	
O=C1CS/C(=N\S(=O)(=O)c2ccc(Cl)s2)N1c1ccccc1	13131688	MKPHRCQQKSJNFK-SQFISAMPSA-N	372.880	3.226	30	40	FGEB	
C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC1(C#N)CCCCC1	4251967	XQOZFZAETPVGQH-AWEZNQCLSA-N	369.494	3.087	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2	6909453	BQINMKSRVJORFA-UHFFFAOYSA-N	373.507	3.315	30	40	FGEB	
CC1(C)[C@@H](C(=O)O)CC[C@]1(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	675031137	XBTQQBVOXKLBPH-MRZUVQCRSA-N	364.358	3.428	30	40	FGEB	
C/C(=N/NC(=S)N1CCC(c2ccccc2)CC1)c1nccnc1C	17140649	NPBSVADWEFQYEE-JCMHNJIXSA-N	353.495	3.263	30	40	FGEB	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	610598370	YJRMZEPFLKEATI-GDIGMMSISA-N	350.466	3.439	30	40	FGEB	
C#CCOc1ccc(Br)cc1[C@H]1NC(=O)c2ccccc2N1	32666124	HQSBSRNGHHJYCO-MRXNPFEDSA-N	357.207	3.315	30	40	FGEB	
CCCCNc1nnc(SCC(=O)Nc2sccc2C#N)s1	7975154	XQGZAODZYJYYEU-UHFFFAOYSA-N	353.498	3.414	30	40	FGEB	
CCCC(=O)Nc1ccccc1C(=O)OC/C(=N/O)c1ccc(OC)cc1	102519880	YBGDCZWKDABKJB-PYCFMQQDSA-N	370.405	3.469	30	40	FGEB	
CNC(=S)N/N=C(/C)CCCCCCCC/C(C)=N\NC(=S)NC	8618675	WVKDQIOSPPCJBV-AXPXABNXSA-N	372.608	3.047	30	40	FGEB	
COc1cc(NC(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc(OC)c1	3362813	VQBRFKKBWDWMPT-UHFFFAOYSA-O	363.437	3.221	30	40	FGEB	
C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	12981634	NXNGCCGSWBDWQT-JTQLQIEISA-N	373.752	3.304	30	40	FGEB	
Cc1cc(C)cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1	14200970	WRIMGRLPFRAKDT-FQEVSTJZSA-N	351.425	3.465	30	40	FGEB	
CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC	5475816	FSDKZBBCNJIJHH-WOJGMQOQSA-N	368.842	3.060	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(F)c1	6694075	HWGZUCAGAHVKAI-CYBMUJFWSA-N	357.410	3.195	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/N=c2/[nH]c(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	5750216	RWASTFGCKAAXKL-RQZCQDPDSA-N	369.362	3.494	30	40	FGEB	
C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccco1	4951852	GEKDRDHNGSAMLF-RYSKPNPXSA-N	357.410	3.481	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	239203216	RYZNRFOSCDAQJF-XYNCURNNSA-N	372.424	3.235	30	40	FGEB	
C=CCOC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl	5173637	KYPBXEQTZUPZMC-ZVBGSRNCSA-N	356.769	3.417	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccccc2F)cc1	19138605	AUINIVPAXSZKTM-SCLBCKFNSA-N	369.392	3.093	30	40	FGEB	
C=CCn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)COC(C)(C)C3	100141300	VXMFEOKPHGKTNX-UHFFFAOYSA-N	371.462	3.023	30	40	FGEB	
C[C@@](C#N)(NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1CC1	7763680	YIYSXLGMOFSSHQ-KRWDZBQOSA-N	373.507	3.242	30	40	FGEB	
CCCC(=O)C1=C(c2ccccc2)N(C(=O)CCC)n2cnnc2S1	4518260	UHQHGCNKQVUNEQ-UHFFFAOYSA-N	356.451	3.387	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(Cl)cc1	102927085	YOOFITLLVYVWRW-IDTYTIONSA-N	361.781	3.001	30	40	FGEB	
CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1ncc(-c2ccc(C)cc2)nc1=O	33324616	RLGHZWLISPNBJF-IBGZPJMESA-N	373.416	3.075	30	40	FGEB	
C[C@@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)O)c1ccccc1	16482397	WCUHKRLFGFXXPN-IBGZPJMESA-N	354.431	3.480	30	40	FGEB	
COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1[N+](=O)[O-]	59419079	GOHWHHLRLKKEQJ-XNTDXEJSSA-N	355.375	3.495	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1C	55891117	YBEGRUQDOQMHAI-UHFFFAOYSA-N	373.474	3.236	30	40	FGEB	
N#Cc1cc(Cl)ccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1	58355890	KVLSYISMPNXSHJ-UHFFFAOYSA-N	369.852	3.305	30	40	FGEB	
CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1	45500075	OXLOVHUDUXKSOM-HNNXBMFYSA-N	370.474	3.326	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1	7564532	WDTSEPKRTNBHFT-UHFFFAOYSA-N	362.341	3.325	30	40	FGEB	
O=S(=O)(C[C@H]1CCCCO1)/N=C(O)/C=C/c1cncc2ccccc12	84694109	VMIZQMARKYNWDO-ROJDOSBLSA-N	360.435	3.103	30	40	FGEB	
Cc1cncn1CCCNC(=O)c1occc1COc1cccc(C#N)c1	95432320	GNISJBAANVKQID-UHFFFAOYSA-N	364.405	3.055	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@H]2N[C@H](C(=O)O)CS2)c2ccccc21	408811905	MBIBZALOMNNSFP-HKUYNNGSSA-N	363.442	3.349	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1	2298187285	SIHGDLUXHWLERJ-OAHLLOKOSA-N	362.424	3.044	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1)c1ccccc1	6691037	MCCXUBZDDDMDID-SFHVURJKSA-N	360.369	3.453	30	40	FGEB	
Fc1ccccc1N1CCN(C[C@@H](S)COCc2ccccc2)CC1	68730879	UEOHCWKRBPEAJU-GOSISDBHSA-N	360.498	3.463	30	40	FGEB	
Brc1cc(/C=N/Nc2ccccc2)oc1N1CCOCC1	59679777	YBXMDUZLLUAMAP-GZTJUZNOSA-N	350.216	3.325	30	40	FGEB	
CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(F)c(C#N)c2)c1	76827751	JTLPTMFXVBJWRV-UHFFFAOYSA-N	352.774	3.007	30	40	FGEB	
O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1COc2ccccc2O1	12536817	UJUJBSBMQQKIAD-OAQYLSRUSA-N	356.381	3.260	30	40	FGEB	
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1[N+](=O)[O-]	10000994	ATZBIYNGQXMCCP-QNPMFDGYSA-N	356.334	3.336	30	40	FGEB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=C1CCCCC1	5158389	VSHIVLUANSOZSB-UHFFFAOYSA-N	366.443	3.111	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nncn2-c2ccccc2)n1	7183049	ZYRQDGKOXFAXHY-CYBMUJFWSA-N	355.448	3.001	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252515265	ICBYPOBNMXLKFT-IPMKNSEASA-N	359.422	3.230	30	40	FGEB	
N#Cc1cnn(-c2ccccc2NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1N	597636473	IEPMQIGGUWUDRV-YJBOKZPZSA-N	371.391	3.480	30	40	FGEB	
CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NCc2cccs2)C1=O	101661888	POERTTUSIUXKJR-GOSISDBHSA-N	365.499	3.035	30	40	FGEB	
S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1cccc2cccnc12	1868724	TVQUHDXLPTTXQW-KEBDBYFISA-N	350.403	3.284	30	40	FGEB	
N#C[C@H](/C=N\NC(=S)N/N=C\[C@@H](C#N)c1ccccc1)c1ccccc1	8615989	UWZJEMIGAXVKBG-KJTAENNLSA-N	360.446	3.037	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1Cc1ccccc1	22086270	YYRFCHKLCFBQOD-SFHVURJKSA-N	350.418	3.179	30	40	FGEB	
COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1	33362580	JRZIVWUYEBPPNJ-MQIUFUGCSA-N	357.410	3.300	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2cccn2)nc1	58265204	JUDGCNKTRIFKSW-UHFFFAOYSA-N	361.449	3.208	30	40	FGEB	
CCOC(=O)[C@H](C#N)[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2	2370038	AHMSOQXNLRNHGP-APWZRJJASA-N	353.374	3.259	30	40	FGEB	
COC(=O)c1cccc2c1CCCN2C(=O)[C@@H](C)Oc1ccc(C#N)cc1	12945456	WNXQMNKPAMPYKE-CQSZACIVSA-N	364.401	3.092	30	40	FGEB	
C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@@]12O3	4028894	ZXQWXPZHCBDOMJ-ZPFYTHJMSA-N	373.836	3.134	30	40	FGEB	biogenic
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1C	409324622	UEWJHNATZXEQTP-UHFFFAOYSA-N	373.254	3.332	30	40	FGEB	
C=CCN1/C(=C/c2ccc(OC)cc2)C(=O)c2ccccc2S1(=O)=O	5274940	SIYVJDUQETUFSA-GHRIWEEISA-N	355.415	3.109	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccccc1OCCOc1ccccc1	4551035	UBSPEQLOOXTUHN-RCCKNPSSSA-N	355.463	3.128	30	40	FGEB	
CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C#N)c2)C(C)C)cc1	6778544	XSLAVTSOJFKHCI-IBGZPJMESA-N	365.433	3.350	30	40	FGEB	
CCOc1ncccc1C(=O)N1CCS/C1=N\CCc1ccccc1	6839127	VJVYQACUBIKUAA-VZCXRCSSSA-N	355.463	3.268	30	40	FGEB	
COC(=O)c1cccc(/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c1	409013832	WEAWDOQLTMNBAW-WXYNYTDUSA-N	357.362	3.084	30	40	FGEB	
COC(=O)c1ccc(CS/C(N)=N/c2ccc3c(c2)OCCO3)cc1	7787107	XAETUWASNBVMLV-UHFFFAOYSA-N	358.419	3.124	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)s1	78957154	OQNBQQFILSWPHZ-UHFFFAOYSA-N	363.870	3.170	30	40	FGEB	
C#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21	409239936	ORAXMANEGTZJDK-CPNJWEJPSA-N	355.397	3.367	30	40	FGEB	
C=CCNC(=S)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1	225926474	FNQOGZPMZCYFJI-UHFFFAOYSA-N	359.886	3.165	30	40	FGEB	
C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21	96114804	XRKAKXNIBKMVOT-AWEZNQCLSA-N	355.390	3.088	30	40	FGEB	biogenic
COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1	104133074	GNAIVINKTNHTSE-IBOXJLQUSA-N	357.793	3.400	30	40	FGEB	
C=CCNC(=O)[C@H](C)OC(=O)c1ccccc1SCc1cc(C)no1	32829293	INSOVLCTLXYELY-ZDUSSCGKSA-N	360.435	3.123	30	40	FGEB	
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C)c1[N+](=O)[O-]	845143	OWTOGHIELDVXKV-SECBINFHSA-N	373.438	3.105	30	40	FGEB	
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1	3098408	ZRMOUIYLACKAMP-IBGZPJMESA-N	369.461	3.480	30	40	FGEB	
N#Cc1nc(COc2ccccc2)oc1N1CCN(Cc2ccccc2)CC1	54061539	NXZGCCFFRYUPNR-UHFFFAOYSA-N	374.444	3.447	30	40	FGEB	
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN3CCOCC3)CC[C@@H]21	33737236	MXGIYHZVIKLRKE-DWLFOUALSA-N	355.478	3.420	30	40	FGEB	biogenic
COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C=C3CC[C@@]21O[C@H]4OC	119225270	RWKSXLXAGGNKPV-IPHURZSYSA-N	374.477	3.413	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)c1csc(-c2cnn(C)c2)n1	58200845	HWVOJRUOJZETCA-UHFFFAOYSA-N	352.463	3.415	30	40	FGEB	
C[C@@H]1CCCN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)C1	12825187	VKOIXBUVODMCCH-CQSZACIVSA-N	370.478	3.264	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O	4457227	HIGFEILCJBBMQK-RVDMUPIBSA-N	372.222	3.319	30	40	FGEB	
Cc1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)c(C#N)c(C)c1C	5587268	MLXVZQBRYBVQLU-UHFFFAOYSA-N	355.419	3.308	30	40	FGEB	
C[C@H](NC(=O)COC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2	6637825	IYPIIZDFSRHIII-DFLMZXFUSA-N	366.461	3.436	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(F)cc2)nc1C	7149840	YXMQWCYYYVWMGC-UHFFFAOYSA-N	373.409	3.308	30	40	FGEB	
CCOC(=O)C/C(C)=N\Nc1nc2ccccc2nc1-n1nc(C)cc1C	32099711	WZZDCWQENWBBHA-UUYOSTAYSA-N	366.425	3.173	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl	30757205	QMLHFLPYFXUABG-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1	622761811	DZIKIUPLDILSQU-GHMZBOCLSA-N	358.257	3.339	30	40	FGEB	
COc1ccc(/C(C)=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c(OC)c1	7039787	KTNDUIIYMLAHJJ-YBFXNURJSA-N	374.422	3.323	30	40	FGEB	
COc1ccc(Cl)cc1/C=C/C=N/c1ccc(S(N)(=O)=O)cc1	16920240	BPYINGGETDQRCD-MQWSALKESA-N	350.827	3.412	30	40	FGEB	
O=C1C[C@@H](c2ccccc2O)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	8971558	TWUKYMCRUYZZAY-RBZFPXEDSA-N	374.400	3.105	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2ccccc21	100875188	PDHJFTIGAQLQST-MRCUWXFGSA-N	360.394	3.184	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1	12556703	UQJLORRLIMWUAH-INIZCTEOSA-N	363.527	3.079	30	40	FGEB	
C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(C#N)cc1	3437364	BRIPNUDHGSHZIK-LLVKDONJSA-N	351.387	3.352	30	40	FGEB	
CCOc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N\c3ccccc3)S2)cc1	18093556	HWZIJTZOESWHOY-INIZCTEOSA-N	369.446	3.333	30	40	FGEB	
Ic1ccc(/C=N/Nc2nc3ccccc3[nH]2)o1	5324020	QBDPTQZJQJJDMK-VGOFMYFVSA-N	352.135	3.207	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1	7671851	YDAQKIBSAQNLMX-UHFFFAOYSA-N	357.295	3.410	30	40	FGEB	
Cc1cc(C)cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1	7794093	PSZMYJVQIHPIFK-HNNXBMFYSA-N	352.390	3.124	30	40	FGEB	
COC(=O)c1cccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)c1C	409241854	OZDMVSIEPMWJGL-PUFAJPFRSA-N	371.389	3.393	30	40	FGEB	
O=[N+]([O-])c1cc2c(cc1/C=N\Nc1ccc(C(F)(F)F)cn1)OCO2	198852726	CCAJHKIWPSFBKS-IPKBDRFQSA-N	354.244	3.183	30	40	FGEB	
C=CCC(C)(C)C(=O)N[C@H]1[C@H]2C[C@H]1N(c1ncnc3sc(C)cc13)C2	1615611090	JRANIXDQIVACOW-CFVMTHIKSA-N	356.495	3.295	30	40	FGEB	
N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)O2	36559227	BDFTYLHZXJHGCS-CQSZACIVSA-N	366.808	3.302	30	40	FGEB	
CCOC(=O)CCc1c(C)nc(SCCN2CCCC2)c(C#N)c1C	804131	VMCNVRWSTNGBJX-UHFFFAOYSA-N	361.511	3.254	30	40	FGEB	
O=C(C[n+]1ccc(C(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1	3187567	OQQQMXVPANGOBP-UHFFFAOYSA-O	365.840	3.440	30	40	FGEB	
N#Cc1cccc(NC(=O)C[S@](=O)Cc2cccc(C(F)(F)F)c2)c1	32801044	ACRWLAOGNHMQMG-VWLOTQADSA-N	366.364	3.464	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1	102705718	ZFXBAAPASUVXDY-IBOXJLQUSA-N	357.431	3.206	30	40	FGEB	
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(OCc3ccccc3)cc1)[C@H]1C=C[C@H]2C1	104692772	RCHDMPRMBWWVRC-DRQMCJFHSA-N	372.424	3.407	30	40	FGEB	
CCC(CC)/N=C(\O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1	23640977	FVNAOQDVOGPVSC-UHFFFAOYSA-N	358.408	3.368	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc2c1OCCO2	7744280	SCFCOBGXYVUFMN-VOTSOKGWSA-N	353.374	3.321	30	40	FGEB	
N#Cc1c(COC(=O)c2ccccc2N2CCOCC2)cn2ccccc12	64195832	NDJDGTBOUDDTKT-UHFFFAOYSA-N	361.401	3.005	30	40	FGEB	
CN(CCC#N)C(=O)COC(=O)c1ccccc1Nc1ccc(F)cc1	7986076	FRNRKUGEQQDPEZ-UHFFFAOYSA-N	355.369	3.098	30	40	FGEB	
CC(=O)Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1	6022557	IMRSPGQBEFYOAG-UHFFFAOYSA-N	370.390	3.156	30	40	FGEB	
CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	6129876	ZYGORYRCFLYRPZ-GJZGRUSLSA-N	352.438	3.425	30	40	FGEB	
COc1ccc([N+](=O)[O-])cc1/C=N/n1c(-c2ccccc2)n[nH]c1=S	5433004	VDXGXBYVFLKBKU-LICLKQGHSA-N	355.379	3.407	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1ccc(Cl)cc1	7777275	ZLRGYXHDWJCZJN-MRXNPFEDSA-N	354.859	3.030	30	40	FGEB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	216769121	AMCZWAIMLDSWMI-OAQYLSRUSA-N	359.433	3.296	30	40	FGEB	
N#CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1	35655337	SAMIOZSUGPXBFA-UHFFFAOYSA-N	363.449	3.026	30	40	FGEB	
O=C(NCC#CCN1CCc2ccccc2C1)Nc1c(F)cccc1F	75165062	CXQIQZSNEYNPOW-UHFFFAOYSA-N	355.388	3.148	30	40	FGEB	
Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c1	13814127	JOMBQOMDXXPTPD-UNOMPAQXSA-N	351.402	3.149	30	40	FGEB	
CC(=O)C(C(C)=O)[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2	6820540	VUMDPGIVEUSNQL-UHFFFAOYSA-N	352.241	3.415	30	40	FGEB	
C=CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	101219102	HINYVMWKBRTGCT-RUNIHZNKSA-N	372.471	3.234	30	40	FGEB	
C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(O)cc1C	101153911	QUMRSBZRTBAOEI-ACCUITESSA-N	364.401	3.457	30	40	FGEB	
CN(C(=O)CN1CC=C(c2ccc(O)cc2)CC1)C1(C#N)CCCCC1	53815128	VIOGEWNHQJOFOT-UHFFFAOYSA-N	353.466	3.166	30	40	FGEB	
CCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CS(=O)(=O)O	100050174	DDGPBVIAYDDWDH-QGZVFWFLSA-O	352.561	3.232	30	40	FGEB	
Cc1nc(S(=O)(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1Cl	1446065	OKCADBBPFMTSQE-UHFFFAOYSA-N	370.261	3.355	30	40	FGEB	
O=S(=O)(Cc1ccc(F)cc1)/N=C(\O)c1cc(Cl)c2c(c1)OCO2	45099786	NLRMTHQPQJBTTN-UHFFFAOYSA-N	371.773	3.042	30	40	FGEB	
COc1ccc([N+](=O)[O-])cc1/N=C1\SCC(=O)N1CCc1ccccc1	36611297	DVWUTGARBFITHO-HNENSFHCSA-N	371.418	3.409	30	40	FGEB	
Cc1c(CCC#N)c(NCCCN(C)C)n2c(nc3ccccc32)c1C#N	4095450	JNSYMJCGEMUQQJ-UHFFFAOYSA-N	360.465	3.487	30	40	FGEB	
C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC	408808431	GUAZQWPKHIINFG-VBKFSLOCSA-N	357.431	3.492	30	40	FGEB	
O[C@]1(Cn2cncn2)c2ccccc2CC[C@@]12O[C@H]2c1ccc(Cl)cc1	5254699	AMIQPHHTWZOBRV-ZCNNSNEGSA-N	367.836	3.276	30	40	FGEB	
C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1	14018946	LYLYSJDYXOKTAH-NSHDSACASA-N	358.785	3.409	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Br)cc1	4534450	BLOITXFYRUHMIU-LFIBNONCSA-N	353.241	3.152	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N(C)Cc1c(F)cccc1Cl	9498092	RBIJNPAVPVFSAW-UHFFFAOYSA-N	362.788	3.397	30	40	FGEB	
CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2c1N	19940232	DNQNDFMYQRRXPI-UHFFFAOYSA-N	368.418	3.185	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@@]3(C)[C@@H]1C2	230140972	UHNRJNAOOCIDDJ-KWSMFNEFSA-N	360.450	3.164	30	40	FGEB	biogenic,in-vitro
N#Cc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccccc1)CCC2	22088348	ZXQLQHVVGLMEBE-UHFFFAOYSA-N	358.401	3.250	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cccc(OC)c21	100910367	RETRNVQCJDIRCG-UZYVYHOESA-N	358.369	3.364	30	40	FGEB	
Cc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C#N)c1C	52473617	GATUEGOYQQRUQJ-UHFFFAOYSA-N	357.408	3.320	30	40	FGEB	
COc1ccc(/C(COC(=O)c2ccccc2Br)=N/O)cc1	102519856	FMXIMMQYMASPIP-OBGWFSINSA-N	364.195	3.493	30	40	FGEB	
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCCCC2)cc1	12551265	RSEUAUHLTYHVED-UHFFFAOYSA-N	366.465	3.399	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)c1ccc(-c2cnco2)cc1	56782753	NFQPCDMQNWPBJE-UHFFFAOYSA-N	350.353	3.194	30	40	FGEB	
Cc1ccccc1C[C@H]1S/C(=N\N=C\c2ccc([N+](=O)[O-])cc2)NC1=O	4828381	IEFUSALFYSVLCR-YDDPGSGASA-N	368.418	3.067	30	40	FGEB	
C=CCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C	7550916	BGQHBPKJLVPECB-CQSZACIVSA-N	365.227	3.148	30	40	FGEB	
COc1cc(/C=N\O)cc(Cl)c1OCC(=O)Nc1ccccc1F	409369350	BHXDFUMDISCWCO-UWVJOHFNSA-N	352.749	3.313	30	40	FGEB	
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1	5551717	ZQIFWQNJWFBIEK-SXGWCWSVSA-N	354.387	3.316	30	40	FGEB	
COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1	12321431	KCRFQIGRROWODG-MRXNPFEDSA-N	370.409	3.309	30	40	FGEB	
COc1cc(CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc(OC)c1OC	8115679	JNSWMLGGBJOFLU-INIZCTEOSA-N	372.396	3.165	30	40	FGEB	
COc1ccc(/C=C2\S/C(=N\Nc3ccccc3)NC2=O)c(OC)c1	2313307	MMIDNHMDGCBJNM-YBEGLDIGSA-N	355.419	3.291	30	40	FGEB	
Cc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1	5987055	MVDIIGJODMQKBJ-OAHLLOKOSA-N	352.390	3.206	30	40	FGEB	
N#Cc1ccc(F)c(CSCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1	9954635	RJSGBJDUDXQNIN-UHFFFAOYSA-N	371.437	3.378	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3cccs3)C[C@H]2c2nccs2)C1=O	306126805	FFPVXQTWAWSAQA-YJBOKZPZSA-N	359.520	3.209	30	40	FGEB	
C=CCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC	408703048	MBMWJQZBOYTZGY-UHFFFAOYSA-N	355.434	3.413	30	40	FGEB	
OC1=N[C@@H]2CCCC[C@@H]2N(/C(O)=N/Cc2c(F)cccc2N2CCCC2)C1	329340413	OGCWLKHLEKEAJV-AEFFLSMTSA-N	374.460	3.423	30	40	FGEB	
CCO[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)[C@@]12CCCO2	612664578	ZHBZNDJWZLICPP-OAGGEKHMSA-N	351.244	3.459	30	40	FGEB	
NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccc3ccccc3c2)C1=O	5528227	LKQJTBWZBKRRMT-NKFKGCMQSA-N	373.441	3.098	30	40	FGEB	
CC(C)(C)c1cc(N2CCN(c3ncccc3C#N)CC2)nc(C2CC2)n1	1888844423	ZPIMXCGMDWVLDY-UHFFFAOYSA-N	362.481	3.245	30	40	FGEB	
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3sccc3C#N)C2)cc1	24844634	JTMQRHFYBFYNSF-MRXNPFEDSA-N	353.447	3.419	30	40	FGEB	
COc1cc(NC(=O)Cn2cc(C#N)c3ccccc32)cc(OC)c1OC	51319139	DLSQMLOJHPTMJP-UHFFFAOYSA-N	365.389	3.177	30	40	FGEB	
Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1	1380677	GOIYLFULRREOFE-UHFFFAOYSA-N	360.421	3.480	30	40	FGEB	
CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1C#N	7218237	QEMDJQHYEDCYLL-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c(C#N)c1	24976710	JPRYBWPAGKIMEC-LBPRGKRZSA-N	368.824	3.387	30	40	FGEB	
O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1cccs1	107012691	DFBLDEYZDUQXPD-UHFFFAOYSA-N	368.326	3.178	30	40	FGEB	
C#CCOc1c(Cl)cc(CNCCc2ccc3c(c2)OCO3)cc1OC	26317273	MZSISIWPBUMRPD-UHFFFAOYSA-N	373.836	3.422	30	40	FGEB	
Cc1ccc2c(CC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)coc2c1	12569667	KUSOAKCQWVOLKF-UHFFFAOYSA-N	373.456	3.500	30	40	FGEB	
N#Cc1ccc(OCCNc2cccc(C(=O)NCC(F)(F)F)c2)cc1	11048450	FXIHYEFLRSWBSY-UHFFFAOYSA-N	363.339	3.341	30	40	FGEB	
Cc1cc(=O)c(C(=O)Nc2ccc(C#N)cc2)nn1-c1ccc(Cl)cc1	12795035	WTTSDNSCALWSRE-UHFFFAOYSA-N	364.792	3.318	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C	12910247	OTFIGKICQTVGKJ-KUHUBIRLSA-N	371.868	3.398	30	40	FGEB	
N#Cc1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1	14815488	KCRLLYGSZYNXTO-OAHLLOKOSA-N	366.425	3.168	30	40	FGEB	
C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O	409129663	VRUQKLZNKXXUPS-WQRHYEAKSA-N	351.406	3.181	30	40	FGEB	
CC(C)c1ccc(-c2nnn(CCC(=O)Nc3ccccc3C#N)n2)cc1	15554003	DJPROZCQBZZNMV-UHFFFAOYSA-N	360.421	3.364	30	40	FGEB	
C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccccc1C#N	7903658	GZTCUKCBOBVZJR-NSHDSACASA-N	353.451	3.481	30	40	FGEB	
CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O	9498276	HATHTOHCGOZPPW-FQEVSTJZSA-N	367.380	3.063	30	40	FGEB	
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1Br	222284839	WBSFXZTVKOZXJL-CXXHSERASA-N	373.250	3.289	30	40	FGEB	
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(F)cc1F	5654576	APRNNWFBMIQDLQ-UHFFFAOYSA-N	366.345	3.014	30	40	FGEB	
CCOC(=O)/C(=C\n1c(=O)sc2ccccc21)C(=O)c1ccccc1	5853568	HOKODFITTJUAMH-OWBHPGMISA-N	353.399	3.350	30	40	FGEB	
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3nccs3)N(C)C2=O)cc1C	13151737	SLRDROFFKXSEMT-HZDTVXMRSA-N	374.491	3.350	30	40	FGEB	
N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCC2	10218300	XIAJZSAGKMIFLP-UHFFFAOYSA-N	374.487	3.301	30	40	FGEB	
CN(C)/C=C(/C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1	29763925	SWSFKIYZLGTLCR-WJDWOHSUSA-N	351.374	3.024	30	40	FGEB	
COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1O	677585	AUMROZWFVAAEBN-UHFFFAOYSA-N	355.357	3.194	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1	4944595	VOHUHDNDSZMCSN-GFCCVEGCSA-N	361.854	3.186	30	40	FGEB	
C=CCNC(=S)N/N=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl	3314456	RPFQOVWRUJTBCI-AWQFTUOYSA-N	365.865	3.016	30	40	FGEB	
O=C1Nc2ccccc2/C1=N\N=C(/O)C(F)(F)C(F)(F)C(F)(F)F	59156902	UIDNXGKCTLCPTI-UHFFFAOYSA-N	357.185	3.132	30	40	FGEB	
N#CCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3	5878354	HPTKLHQJQQCMLJ-LLVKDONJSA-N	361.492	3.131	30	40	FGEB	
C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(C(=O)OC)cc2)n1	8916844	ALJYNDFERLDDRO-UHFFFAOYSA-N	363.826	3.447	30	40	FGEB	
Cc1nnc(S)n1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408860072	ROSICUDBDBCBMI-VCHYOVAHSA-N	369.406	3.245	30	40	FGEB	
Cc1c(C=Nn2c(O)nc3ccccc3c2=O)ccc(N2CCCC2)c1C	409357051	IIKLBQLXAQZWBB-UHFFFAOYSA-N	362.433	3.201	30	40	FGEB	
O=[N+]([O-])c1ccc(/C(=N\O)c2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)cc1	72414125	JEXJJLQNSPCPJS-XDJHFCHBSA-N	353.294	3.120	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	218519426	CLMHGDADCKOMCX-VAMGGRTRSA-N	353.443	3.206	30	40	FGEB	
N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4cccs4)C3)C2)n1	96048302	ABTTVIFUXPHNSH-APWZRJJASA-N	354.479	3.250	30	40	FGEB	
CCCCCCCOc1ccc(C(NC(C)=O)NC(C)=O)cc1OC	97986546	LBLQYKJDLJRTSX-UHFFFAOYSA-N	350.459	3.315	30	40	FGEB	
C=CCNC(=O)NC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	5093226	VCENXRPJBFRIDP-UHFFFAOYSA-N	369.265	3.148	30	40	FGEB	
Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccccc2C)n1	608927225	SOSKLNWDOILIHX-UHFFFAOYSA-N	352.419	3.162	30	40	FGEB	
C[C@H]1CN(Cc2cc(C#N)ccc2F)CCN1Cc1cc(C#N)ccc1F	26669748	CCFCMDOFEOONKQ-HNNXBMFYSA-N	366.415	3.414	30	40	FGEB	
COc1ccc(-c2nc(NCc3cccc(OC)c3)nc(O)c2C#N)cc1	40129983	XMILOSQZIUTCQY-UHFFFAOYSA-N	362.389	3.350	30	40	FGEB	
CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1cccc(C(=O)O)c1	100309361	ZRJFMNSBZWMJDT-WRFRESGHSA-N	354.387	3.324	30	40	FGEB	
Cc1cc(C(=O)OCC(=O)Nc2sccc2C#N)c2ccccc2n1	8188003	WRHALWXICRLIHS-UHFFFAOYSA-N	351.387	3.272	30	40	FGEB	
Cc1c(NCc2ccc(N3CCOCC3)c(F)c2)cc(C#N)cc1[N+](=O)[O-]	52457059	WFKYQKAVEOLGCG-UHFFFAOYSA-N	370.384	3.363	30	40	FGEB	
COc1ccc(C)cc1-n1ccc(C(=O)N(CCC#N)Cc2ccco2)n1	58186459	BMWCORMKWSNHPH-UHFFFAOYSA-N	364.405	3.338	30	40	FGEB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1OC	10514986	BCEDEVKHRXJJPV-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1C	3390864	VHFNAQOCOIWDQG-GFCCVEGCSA-N	367.434	3.375	30	40	FGEB	
CC[C@H]1C(c2ccccc2)=[N+]([O-])[C@](C)(C(=O)c2ccc(OC)cc2)N1O	5443387	RXOQXWFSOPJIBM-FXAWDEMLSA-N	354.406	3.077	30	40	FGEB	
CCN(CC)c1ccc(/C=N/CCNS(=O)(=O)c2ccc(C)cc2)cc1	18189683	KEZVBAOFYQGACH-LTGZKZEYSA-N	373.522	3.239	30	40	FGEB	
CN(Cc1cn[nH]c1-c1ccccc1)C(=O)c1cccc(C#CC(C)(C)O)c1	67739461	SHCLAYWYXVOFPH-UHFFFAOYSA-N	373.456	3.471	30	40	FGEB	
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(C)c1	224645140	JHGOUOKZIHQMGF-UHFFFAOYSA-N	361.419	3.114	30	40	FGEB	
CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)S/C1=N/c1ccc(F)cc1	100072320	PUAQLNBOGVBFJE-UFIXSJTLSA-N	371.437	3.094	30	40	FGEB	
Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1	1354472	CAPSQNBXQJVCGI-UHFFFAOYSA-N	353.407	3.146	30	40	FGEB	
O=C(Oc1ccc(/C=N/n2cnnc2)cc1)c1ccc(Br)cc1	1093352	NIBNXEQFELWRGG-AWQFTUOYSA-N	371.194	3.142	30	40	FGEB	
C=CCOc1ccc(-c2nc3c(sc(=S)n3C)c(=O)[nH]2)cc1OC	3629034	PUSOTMZLIXZWPT-UHFFFAOYSA-N	361.448	3.293	30	40	FGEB	
COc1cc(OC)c(/C=N/Nc2nncc(-c3ccccc3)n2)c(OC)c1	4660102	LNMBPEUNGAKPKR-RGVLZGJSSA-N	365.393	3.010	30	40	FGEB	
N#Cc1ccc(F)c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1	23005392	LPZWCXSTNDVQKL-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
C#CCOc1cccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)c1	72392535	CGMYEYSEWLTYBG-WPYKKVEZSA-N	362.473	3.132	30	40	FGEB	
Cc1ccc(C(=O)C[C@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1	16739602	SATCNCPOSXQHQE-XNHPLOEXSA-N	351.431	3.190	30	40	FGEB	
COCc1nnc(/N=C(\O)CN2CCC(Cc3ccccc3)CC2)s1	19594511	XASUAGDUUKBMAI-UHFFFAOYSA-N	360.483	3.227	30	40	FGEB	
O=C1Nc2ccccc2/C1=N/n1c(S)nnc1-c1ccc(Cl)cc1	2649107	ZPPYNJIGFCRHBB-UHFFFAOYSA-N	355.810	3.092	30	40	FGEB	
C=CCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCc2ccccc21	32916160	MHKZYAHMFCWKLH-GOSISDBHSA-N	353.466	3.374	30	40	FGEB	
COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2C)cc1	2327470	WGMLQSJQAFYXBM-UCLIPEMJSA-N	353.447	3.469	30	40	FGEB	
C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(OC)c(OC)c1	47331386	XNPAOCWXDBXEML-GOSISDBHSA-N	371.458	3.015	30	40	FGEB	
COc1ccccc1-c1n[nH]c(/N=C(\O)CSCc2ccccn2)n1	58197724	UUJDDWJWXFYMRV-UHFFFAOYSA-N	355.423	3.397	30	40	FGEB	
N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1	12746974	DZGQXVVCXXORDC-HYSAVQALSA-N	359.429	3.449	30	40	FGEB	
CC(=O)O/N=C(\NCc1cccnc1)c1ncc(C(F)(F)F)cc1Cl	4050576	KTWIXEFQRJNWPC-UHFFFAOYSA-N	372.734	3.163	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195848	UHTNAVRQXFIYLL-GOSISDBHSA-N	373.412	3.436	30	40	FGEB	
N#Cc1ccccc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1	14137524	NATHEPPNOCALAG-UHFFFAOYSA-N	362.429	3.424	30	40	FGEB	
O=C(O)c1ccc(/N=C/c2ccc(O)c(I)c2)cc1	408904837	PIFIHYKOOHVZRP-LZYBPNLTSA-N	367.142	3.446	30	40	FGEB	
COc1ccccc1/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408801408	SWAYIEHQZYWYHN-FPJJECCMSA-N	368.433	3.120	30	40	FGEB	
COc1ccc(OC)c(CN2CCN(c3cccc(F)c3C#N)CC2)c1	30592379	JHCLVQTZIRDGQN-UHFFFAOYSA-N	355.413	3.037	30	40	FGEB	
S=C(N/N=C\c1ccc2c(c1)OCO2)Nc1cccc2cccnc12	33379825	TVQUHDXLPTTXQW-JMIUGGIZSA-N	350.403	3.284	30	40	FGEB	
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224769978	HHJPFZHQKANLHL-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1F	3368434	BOMAQYQUJUARHJ-UHFFFAOYSA-N	355.188	3.261	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1	14169043	CZCRCGAAQIPIAG-UHFFFAOYSA-N	369.852	3.048	30	40	FGEB	
C#CCn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21	16136184	LMDYVNJMNUUCHS-UNOMPAQXSA-N	355.422	3.045	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1Cl	4944598	GAPXYBVTFCDIIU-NSHDSACASA-N	361.854	3.186	30	40	FGEB	
Cc1ccc2nc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)sc2c1	16488791	WBZPKMOGIUWEKS-UHFFFAOYSA-N	366.446	3.353	30	40	FGEB	
CCCCO[C@@H]1C[C@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C	89954788	CILFICWOHOMALI-MSOLQXFVSA-N	374.481	3.323	30	40	FGEB	
COc1ccccc1CN/N=C/c1cc2c(cc1Br)OCO2	20762271	ZWLXCUTXRIKCGE-DJKKODMXSA-N	363.211	3.310	30	40	FGEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224774584	ZRZKFPGFIFHLIN-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
N#CCc1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)cc1	20057108	WUMUNLJGIHAKOC-UHFFFAOYSA-N	360.316	3.150	30	40	FGEB	
Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(C#N)cc1)SCC(O)=N2	20735650	XBNKRZZCDRZBJN-INIZCTEOSA-N	362.418	3.267	30	40	FGEB	
C[C@](CC(=O)Nc1sc2c(c1C#N)CCC2)(C(=O)O)c1ccccc1	16482399	WCUHKRLFGFXXPN-LJQANCHMSA-N	354.431	3.480	30	40	FGEB	
CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c1C	32818869	RHIRRYQZTNQIBT-UHFFFAOYSA-N	374.400	3.481	30	40	FGEB	
N#C[C@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]21	5261920	SWNZAWCVOLSMRF-UYAOXDASSA-N	359.389	3.458	30	40	FGEB	
CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(SC)s1	5872319	DEMOBBNEDYBPQQ-UHFFFAOYSA-N	372.522	3.244	30	40	FGEB	
COc1ccccc1S(=O)(=O)NC1(C#N)CCC(C(C)(C)C)CC1	97095508	JHDFOOHYSOQYQD-UHFFFAOYSA-N	350.484	3.472	30	40	FGEB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1	216776586	NPLOZWGIDBGWBS-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
CC1(C)OCC[C@@H]1CNC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1	1776000392	ZZUWWOOXVPEJDV-CQSZACIVSA-N	366.311	3.069	30	40	FGEB	
N#C[C@@H]1CC[C@H](NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)C1	1615045379	SNDBBCKRYZBCQA-PVXIVEMSSA-N	351.809	3.254	30	40	FGEB	
C[C@@H](C#N)CN(C(=O)c1csc(I)c1)C1CC1	89895858	PUEDOJJGQOAQHT-QMMMGPOBSA-N	360.220	3.117	30	40	FGEB	
Cc1ccccc1CN1C[C@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O	44214040	QKDSBZXDAYYWLK-GOSISDBHSA-N	358.401	3.433	30	40	FGEB	
OCCC/N=C/c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O	104291662	IRFSVDJGEQLOOF-UFWORHAWSA-N	370.356	3.008	30	40	FGEB	
N#CCCN1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	20057354	ARDSGFJEPAGDQL-UHFFFAOYSA-N	370.434	3.062	30	40	FGEB	
CCN(C[C@@H](C)C#N)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	40119503	WJOONUHNGOPKQG-AWEZNQCLSA-N	361.873	3.200	30	40	FGEB	
COc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1	1223610	PBGNTCBANKNOSI-UHFFFAOYSA-N	353.403	3.117	30	40	FGEB	
Cc1nonc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N	1354315	GPAUBZQVLCHTFA-UHFFFAOYSA-N	353.407	3.146	30	40	FGEB	
CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1	24432381	GKADKXDWEDCLME-UHFFFAOYSA-N	357.435	3.344	30	40	FGEB	
CCCC(=O)C1=C(N2CCOCC2)C[C@H](C[C@@H](C)SCC)CC1=O	1256598	CKFDZLWOOSMCEN-CABCVRRESA-N	353.528	3.453	30	40	FGEB	
CCOC(=O)[C@@H]1CCCN(c2oc(-c3ccc(OC)cc3)nc2C#N)C1	3293032	GQCPYISBDUSSKB-CQSZACIVSA-N	355.394	3.001	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)o1	408583266	SZHDFRHJNDJXHG-UHFFFAOYSA-N	371.809	3.387	30	40	FGEB	
CCCCn1c(=O)[nH]c(O)c(C(=O)/C=C/c2ccc(C(C)C)cc2)c1=O	18202864	ZRUPTAOOALFRDS-DHZHZOJOSA-N	356.422	3.062	30	40	FGEB	
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1	6767370	HNJMHHSHSZKOKK-HNNXBMFYSA-N	358.401	3.290	30	40	FGEB	
COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2C#N)c1	31665944	NXLACGUBWJHWCU-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2	5634249	BQZNEKDUAXITEY-MRXNPFEDSA-N	371.776	3.277	30	40	FGEB	
N#Cc1ccc(CN2CCN(C[C@@H](O)c3ccccc3Cl)CC2)cc1	40105800	CAUIZSCDQPGCHE-HXUWFJFHSA-N	355.869	3.063	30	40	FGEB	
NC(=O)CSc1ccccc1NC=C1C(=O)CC2(CCCCC2)CC1=O	101018610	AWLOYORHAZUKHX-UHFFFAOYSA-N	372.490	3.442	30	40	FGEB	
COc1ccc2nc(SCC(=O)NCc3ccco3)c(C#N)cc2c1	917562	RMDSCYYDMMPURH-UHFFFAOYSA-N	353.403	3.117	30	40	FGEB	
CCN1C[C@H](CN(C)c2ccc(C#N)cc2[N+](=O)[O-])Oc2ccccc21	32806413	WWEUAZONLKFRPV-HNNXBMFYSA-N	352.394	3.190	30	40	FGEB	
O=S(=O)(O[C@H]1CCC[C@@H]2CC[C@@H]1O2)c1ccc(Br)cc1	101137693	IZAVBPZBIXFOJK-XBFCOCLRSA-N	361.257	3.255	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCC1=O	12562197	KGNODZKSYFGZRA-UHFFFAOYSA-N	368.824	3.389	30	40	FGEB	
C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	1426714	VWGVBEZKZHABEQ-HBMCJLEFSA-N	361.445	3.360	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@@H]1[C@@H]2c1ccccc1	245238936	CRAJHTZPJNQQPO-PAYBNWRTSA-N	357.523	3.311	30	40	FGEB	
N#CCCC(CCC#N)(CCC(CCC#N)(CCC#N)[N+](=O)[O-])[N+](=O)[O-]	5500915	FYIPKDWFEWWDQK-UHFFFAOYSA-N	360.374	3.013	30	40	FGEB	
CC1=NN[C@H]2N[C@@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@@H]12	16607988	NWKTUUJCENYCME-YZGWKJHDSA-N	352.482	3.004	30	40	FGEB	
COc1ccc(OCCCC(=O)O/N=C(\N)c2ccccc2Cl)cc1	8429710	XQJQANMAMQBVSO-UHFFFAOYSA-N	362.813	3.371	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2ccc(OC)cc2)c(O)c2ccccc21	100512624	YTIPFSXXZQBWKQ-UHFFFAOYSA-N	350.374	3.154	30	40	FGEB	
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1nccs1	4957287	ZJUFIOPCZNDRNU-QCJHYCHESA-N	360.464	3.123	30	40	FGEB	
N#CC1(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CCCC1	29923238	CRLWICQDZXNHOC-UHFFFAOYSA-N	367.371	3.290	30	40	FGEB	
COc1ccc(CN2CCC(NCc3cc(C#N)n(C)c3C)CC2)cc1F	57985132	CZRRRWGWTPZVQV-UHFFFAOYSA-N	370.472	3.107	30	40	FGEB	
Cc1noc(C)c1CNC(=O)CON=C1c2ccccc2-c2ccccc21	62520912	JUEKQVHGCNCTRQ-UHFFFAOYSA-N	361.401	3.357	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C	12910238	OTFIGKICQTVGKJ-AUUYWEPGSA-N	371.868	3.398	30	40	FGEB	
COc1ccc([N+](=O)[O-])cc1/C=C1/S/C(=N\c2ccccc2)NC1=O	13476973	KPJAUOGSUDYGII-XNTDXEJSSA-N	355.375	3.495	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1[N+](=O)[O-]	18195578	CEWVXADHCFNOAH-ZDUSSCGKSA-N	354.366	3.224	30	40	FGEB	
COc1ccccc1OCCOc1ccc(Cl)cc1/C=N/n1cnnc1	4499402	UAJWEMYPNCYFKI-SSDVNMTOSA-N	372.812	3.280	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C2\CCCc3ccccc32)nc1	21759668	NETMQTWYSWMZSA-DYTRJAOYSA-N	372.494	3.265	30	40	FGEB	
C=CCOc1ccc(-c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)cc1	1501040180	CULOJGYSAGVQFB-CQSZACIVSA-N	355.467	3.227	30	40	FGEB	
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(C)cc1	224689717	JSIODWDCBGQANH-UHFFFAOYSA-N	359.447	3.471	30	40	FGEB	
CCO[C@@H]1C[C@H](/N=C(/O)N2Cc3ccccc3O[C@@H](C)C2)C12CCOCC2	330206392	FBSGHKVVAVUVNQ-ZYSHUDEJSA-N	374.481	3.158	30	40	FGEB	
C=CCCc1ccccc1NC(=O)N1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1	585101465	UQYXPYBJZQFNGK-CXAGYDPISA-N	356.426	3.491	30	40	FGEB	
O=c1c2ccccc2nc2c3ccccc3c(N/N=C/c3cccnc3)nn12	5753111	XSDKORBXSMWQEV-YDZHTSKRSA-N	366.384	3.237	30	40	FGEB	
COc1cc2c(cc1OC)[C@@H]1[C@H](C)/C(=N\O)C3=C(CCCC3=O)N1CC2	103873494	LQDVQQMFGZMWTR-JNWDWPQPSA-N	356.422	3.090	30	40	FGEB	biogenic
CN1/C(=C\C(=O)COC(=O)c2ccccc2O)C(C)(C)c2ccccc21	18099193	JXDPRLGHKWZJDY-UNOMPAQXSA-N	351.402	3.430	30	40	FGEB	
C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C/c1ccco1	4866460	GEKDRDHNGSAMLF-JLXHZPSVSA-N	357.410	3.481	30	40	FGEB	
CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C#N)c1)O[C@H](C)C2	12560492	GCBHOEWFJWUEJW-GFCCVEGCSA-N	358.419	3.081	30	40	FGEB	
CC(C)(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC#N)cc2)c1	8126397	RPXMYTKZEJYSQH-UHFFFAOYSA-N	371.462	3.082	30	40	FGEB	
C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1	226278928	QKOOUZQRSLMBMP-UHFFFAOYSA-N	368.355	3.214	30	40	FGEB	
C[C@H]1c2ccccc2CN1S(=O)(=O)c1cccc(/C(O)=N/C2CC2)c1	329291414	ASMIIWIRQOUYSZ-ZDUSSCGKSA-N	356.447	3.419	30	40	FGEB	
CC1(C)OB(c2ccnc(NC(=O)c3ccc(Cl)cc3)c2)OC1(C)C	198024053	KIONHJYEGYYXMX-UHFFFAOYSA-N	358.634	3.287	30	40	FGEB	
C[C@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53C(=O)O4)[C@H]1CC[C@H]2C(=O)C1N=N1	254310921	ZTZKAHRXFXPJGF-SMIOYKBOSA-N	368.433	3.155	30	40	FGEB	
C=CCCCC(=O)N[C@]12CCC[C@@H]1N(c1ncnc3scnc13)CC2	1775991371	LBDWJOCCOURKAC-UGSOOPFHSA-N	357.483	3.060	30	40	FGEB	
NC(=S)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	5809890	KQKQPRIUCLJKSG-KWPCUBQOSA-N	359.838	3.179	30	40	FGEB	
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O	13476814	BOZIGKFZUQXGBT-DEDYPNTBSA-N	371.393	3.286	30	40	FGEB	
Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1cccc([N+](=O)[O-])c1	2331717	RFGWHFPMVQSHOT-GQVLRKDXSA-N	368.418	3.369	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c(O)c2ccccc21	100543078	VLHHDOYXKGPZON-UHFFFAOYSA-N	355.781	3.194	30	40	FGEB	
C[C@@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1	58179937	INVOGQZGLRBRCF-OAHLLOKOSA-N	351.406	3.010	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C)c([N+](=O)[O-])c1	409237597	AGAFIILFNTUVDH-MOSHPQCFSA-N	355.394	3.499	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccccc2)CC1	12809054	HDNRTOPIFDBGNE-KKSFZXQISA-N	363.461	3.331	30	40	FGEB	
Clc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1	4477991	ROAGBNJOVGZWBP-DEDYPNTBSA-N	371.876	3.171	30	40	FGEB	
C=C(C)CSc1nc2ccc(Br)cc2c(=O)n1C[C@@H](C)O	8071251	SWCCHVIRNBIQKF-SNVBAGLBSA-N	369.284	3.208	30	40	FGEB	
N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@H]21	34255090	DHEJAQLOPUNKRK-QRVBRYPASA-N	374.831	3.352	30	40	FGEB	
Cn1nc(CC/N=C(/O)N2CCC(c3nccs3)CC2)c2ccccc21	330140392	WYTMMTWVBSVAOL-UHFFFAOYSA-N	369.494	3.366	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCn4ccnc4)[C@H]3C[C@H]12	12659872	GVQXMWUKRNTWTN-TWHPPBISSA-N	357.498	3.177	30	40	FGEB	biogenic
N#Cc1ccc(CC(=O)N2CCc3ncnc(-c4ccsc4)c3C2)cc1	1565556728	ZPDVGPAGQZKOTR-UHFFFAOYSA-N	360.442	3.204	30	40	FGEB	
COC(=O)c1ccc(/N=C2/S/C(=C\c3ccccc3O)C(=O)N2C)cc1	100291891	DIARNIYXLDFWKR-NIPZQEADSA-N	368.414	3.413	30	40	FGEB	
Cc1cccc(C(C)C)c1NC(=O)CSc1nc(=O)[nH]c(C)c1C#N	32776364	IOEZEJPZDZFICH-UHFFFAOYSA-N	356.451	3.113	30	40	FGEB	
C=CCc1cc(C(=O)NCc2ccc3c(c2)OCCO3)cc(OC)c1OC	21911227	CLKVEXJQYMBTOE-UHFFFAOYSA-N	369.417	3.134	30	40	FGEB	
Cn1c([C@H](C#N)C(=O)c2cncc(Br)c2)nc2ccccc21	12603760	CFJVPXXIJPLZSE-GFCCVEGCSA-N	355.195	3.221	30	40	FGEB	
Cn1cc(C(=O)Nc2cccc(C#N)c2)c(-c2ccc3c(c2)OCCCO3)n1	12995742	FXTUVSUECXIUMQ-UHFFFAOYSA-N	374.400	3.372	30	40	FGEB	
N#CCc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1	97090171	IOZFSSLRQJSNLD-MRXNPFEDSA-N	353.447	3.448	30	40	FGEB	
N#Cc1ccccc1Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21	408572637	RODCECKMBSVRMZ-UHFFFAOYSA-N	357.413	3.366	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ncccc2c1=O	31615244	JCKOTTYXYDWOCP-UHFFFAOYSA-N	366.446	3.017	30	40	FGEB	
N#CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1	96037793	QYRIVHZNBIAGCY-UHFFFAOYSA-N	372.432	3.061	30	40	FGEB	
N#Cc1c2c(c3nncn3c1N1CCCCC1)CN(Cc1ccccc1)CC2	20676541	NIOCCYUAPCTBEX-UHFFFAOYSA-N	372.476	3.150	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)C2	100774121	BJTDBGROHRUMTD-WJONJSRFSA-N	368.477	3.299	30	40	FGEB	
C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1cccs1	12625729	GTKDWFDEEFPADV-MGBZWLPISA-N	370.459	3.022	30	40	FGEB	
CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1	5025888	FJSNSMNAAAEJGI-CABCVRRESA-N	352.438	3.426	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1	7790053	ZYVIJIPGBGFLHM-YJYMSZOUSA-N	373.478	3.215	30	40	FGEB	
N#CCc1ccc(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cc1	95460178	AZPIRJMEPPFORH-UHFFFAOYSA-N	369.768	3.303	30	40	FGEB	
N#Cc1ccccc1Cn1cc(/C=N/n2cnnc2S)c2ccccc21	75260288	YZHGOLZUZFWESX-LSHDLFTRSA-N	358.430	3.324	30	40	FGEB	
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225028246	LWQWJTOHWFQYGM-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
CCCCc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N=C2C[C@H](C)ON2)cc1	670417807	HKUBEFLRTMGJLJ-MAUKXSAKSA-N	373.497	3.412	30	40	FGEB	
Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)o2)cc1	12418227	QRRNXYIWDCNCNO-UHFFFAOYSA-N	372.428	3.484	30	40	FGEB	
O=C1CS/C(=N\c2cnn(Cc3cccc(F)c3)c2)N1Cc1ccco1	101647499	ODAXTWXVYZCFHQ-UZYVYHOESA-N	370.409	3.427	30	40	FGEB	
CNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1	32828746	HEHXCFHSWXGLJM-HNNXBMFYSA-N	372.837	3.363	30	40	FGEB	
NC(=O)CCn1cc(/C=N/NCc2ccc(Cl)cc2)c2ccccc21	10118865	FIRQNJIVBDFLLT-FSJBWODESA-N	354.841	3.294	30	40	FGEB	
Cc1sc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C	9140946	BNQVGMVBKJQPGF-UHFFFAOYSA-N	360.420	3.272	30	40	FGEB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(C#N)c2)cc1	57512076	DDPRZBDRAMZUHQ-OAQYLSRUSA-N	363.461	3.446	30	40	FGEB	
C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1cccc(C#N)c1	11028445	VQOLLIUDRGTMLF-LLVKDONJSA-N	360.772	3.464	30	40	FGEB	
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#Cc2cccs2)c1	13008496	NDAVPYUCVMPPPF-CQSZACIVSA-N	364.426	3.498	30	40	FGEB	
O=C1/C(=C/c2ccc(F)cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21	13778241	MZDIPYDFGOOSTH-WQRHYEAKSA-N	369.348	3.273	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1ccco1	5345657	BUSQRQUCDKPLJG-MRXNPFEDSA-N	373.372	3.167	30	40	FGEB	
COc1ccccc1[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21	85409138	GBYHKHUNRNLAFY-INIZCTEOSA-N	360.373	3.118	30	40	FGEB	
COc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1OC	6285275	YFRNAZZTFCROCS-LBPRGKRZSA-N	355.394	3.023	30	40	FGEB	
CN(Cc1ccsc1)S(=O)(=O)c1cc(Br)ccc1C#N	1185163874	DJDSJPHJXCKPKP-UHFFFAOYSA-N	371.281	3.203	30	40	FGEB	
CCN(CC)c1ccc(/C=N\Nc2cnnc(O)c2Br)cc1	31833874	ZPTXIPKMOKEXGY-MFOYZWKCSA-N	364.247	3.237	30	40	FGEB	
O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)/C1=C(\O)c1ccccc1	102857583	SMTGSSFQAGDNEB-SELCWUDQSA-N	360.369	3.297	30	40	FGEB	
CCCN(CC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1	53094968	OCPFRXQDHOUNGK-HNNXBMFYSA-N	371.462	3.110	30	40	FGEB	
O=C(CCC1CCCC1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1	34852244	BOORWRIELHXMKC-UHFFFAOYSA-N	363.483	3.066	30	40	FGEB	
N#Cc1ccc(-c2ccc(OC[C@@H](O)Cn3nnc4ccccc43)cc2)cc1	2206658	YCYFLHCSXRDZFY-IBGZPJMESA-N	370.412	3.410	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(Oc3ccccc3)c1)n1nnnc1N2	18196052	HATHDRCSCNGBOS-LJQANCHMSA-N	359.389	3.487	30	40	FGEB	
COC(=O)c1ccc(OC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1	6646321	JPXDNXRDCAVVLG-ONNFQVAWSA-N	367.357	3.003	30	40	FGEB	
Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@H](C)C#N)nnc12	5968478	AYHVQIVUWLKTHL-CYBMUJFWSA-N	361.430	3.346	30	40	FGEB	
C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O	409123752	HTXORHXCLQVFHM-BOPFTXTBSA-N	366.377	3.081	30	40	FGEB	
N#Cc1ccc(C2CCN(Cc3cnc(Br)cn3)CC2)cc1	1249493892	ISGJPQFSEJADHW-UHFFFAOYSA-N	357.255	3.490	30	40	FGEB	
Cc1ccc(-c2nnn([C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1	31648421	IJQVTHSXHGRTMX-INIZCTEOSA-N	360.421	3.156	30	40	FGEB	
Cc1ccc([C@@](O)(CCNc2nnc(C)c(C)c2C#N)C(F)(F)F)o1	24056062	GBZYHEIRXQAOJC-HNNXBMFYSA-N	354.332	3.119	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2cc(F)cc(F)c2)cc1	14398137	XTEIJNHKPRCCHM-FOKLQQMPSA-N	361.348	3.303	30	40	FGEB	
CC(=O)c1cc(C#N)c(SCC(=O)N2CCc3sccc3C2)nc1C	14808478	HXKXXFYICYMBMJ-UHFFFAOYSA-N	371.487	3.203	30	40	FGEB	
COc1ccc2nc(SCc3c(C(=O)O)sc(N)c3C#N)[nH]c2c1	8720044	NVRSYFMQVWBQKU-UHFFFAOYSA-N	360.420	3.077	30	40	FGEB	
CCCCO[C@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C	89954791	CILFICWOHOMALI-ZWKOTPCHSA-N	374.481	3.323	30	40	FGEB	
N#Cc1cnc(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nc1N	9221105	FJFKJXXODDYMNT-MRXNPFEDSA-N	361.430	3.403	30	40	FGEB	
Cc1cccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408536654	SJHWKWLPOOABOU-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
C=CCNC(=O)COC(=O)c1ccccc1CSc1nc(C)cs1	9622642	RVMBCIVUULSQJC-UHFFFAOYSA-N	362.476	3.203	30	40	FGEB	
N#Cc1ccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)c(F)c1	97104247	NFDNDVNMTLYYFU-UHFFFAOYSA-N	352.818	3.013	30	40	FGEB	
C#CCN(Cc1cccc(C)n1)C[C@@H](O)COc1cccc2ccccc12	72305021	AODNPHMBPBCOFR-OAQYLSRUSA-N	360.457	3.418	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@H](C)CC1=O)N2	22608310	GHOHWLMGXIHTGN-APPDUMDISA-N	369.494	3.334	30	40	FGEB	
CCc1ccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408758880	TWZUXECBARIYJT-WCEBZYJUSA-N	365.458	3.324	30	40	FGEB	
N#Cc1cccc(C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)c1	71195810	CJYBMAFORBAEJM-IBGZPJMESA-N	355.401	3.218	30	40	FGEB	
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1	224691366	SSFQYBNZBXUJPU-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	224822843	LVZMMZAUQAIGAO-UHFFFAOYSA-N	365.838	3.493	30	40	FGEB	
C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21	96114805	XRKAKXNIBKMVOT-CQSZACIVSA-N	355.390	3.088	30	40	FGEB	biogenic
CC(C)CN(CCC#N)C(=O)COc1cccc(NC(=O)c2ccco2)c1	58439150	LSZGTZNZSDVGJV-UHFFFAOYSA-N	369.421	3.309	30	40	FGEB	
COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c1	8058912	UKRNNBWBKBDMRY-GOSISDBHSA-N	372.446	3.101	30	40	FGEB	
CCCCCCCCCCNC(=O)/C=C\C(=O)N(CCC#N)CCC#N	100932717	IMLMQZMCXAPWNW-SEYXRHQNSA-N	360.502	3.455	30	40	FGEB	
CCCCCCCCN(CC(=O)N(CC)CC)CC(=O)N(CC)CC	100933153	NQBPLGYYJQOJQE-UHFFFAOYSA-N	355.567	3.386	30	40	FGEB	
CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	4837255	NBFLXMDWICBNDH-JKSUJKDBSA-N	365.481	3.390	30	40	FGEB	
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(C3CCCCC3)c2)c1	5863373	CJWYNIOHRFRWTO-UHFFFAOYSA-N	352.390	3.170	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sccc2C#N)c1	7718328	GAJHABCNTIUARN-INIZCTEOSA-N	371.462	3.413	30	40	FGEB	
COC(=O)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O	9423738	COAFSQXYCAQHOB-DJKKODMXSA-N	363.369	3.346	30	40	FGEB	
COC(=O)c1ccccc1-c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])o1	409086845	HJAXCWDVAYNENS-RGVLZGJSSA-N	366.333	3.482	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)cc1OC(C)=O	669370024	WZOSCOZVNOHOFY-GQCTYLIASA-N	370.357	3.254	30	40	FGEB	biogenic
CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)s1	5988028	BSVLUFIPBDZJNC-VOKXKFPNSA-N	350.381	3.020	30	40	FGEB	
COc1cc(C)c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	6500610	CHHBHMTYFVQHBC-RQZCQDPDSA-N	360.326	3.275	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(C)c21	100910067	JHGNXOCZRRUSIL-MSUUIHNZSA-N	357.416	3.355	30	40	FGEB	
CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NCc2cccs2)C1=O	101661892	POERTTUSIUXKJR-SFHVURJKSA-N	365.499	3.035	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1F	17163390	HCQPZSJSIISBHG-KRWDZBQOSA-N	373.380	3.342	30	40	FGEB	
C/N=c1/scc(-c2ccccc2F)n1/N=C/c1ccc2c(c1)OCO2	103371854	LTLRUHHMNOBOBN-NTLNCKMSSA-N	355.394	3.497	30	40	FGEB	
COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccco1)[N+](C)(C)CC3)OCO2	1280374	UGHOMKHHLXDQAD-DKRLNXSXSA-N	370.425	3.363	30	40	FGEB	biogenic
C=C1[C@H](C(=O)Nc2ccc(OC)cc2)[C@H]1C(=O)Nc1ccc(OC)cc1	1462532	KOCYPWMJMMKXKE-ROUUACIJSA-N	352.390	3.083	30	40	FGEB	
C=CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1cccs1	8938219	YACPKZIJIXDDQG-UHFFFAOYSA-N	357.479	3.077	30	40	FGEB	
COc1ccc(CN/N=C/c2cc(Cl)c(O)c(OC)c2)cc1OC	20195753	OXAHNFZKUCPTFQ-KEBDBYFISA-N	350.802	3.195	30	40	FGEB	
C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O	409130132	IKFSVYNSMBAVFC-GDNBJRDFSA-N	353.334	3.242	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OCC)c1	409142714	CWNYYJUMCIXZIV-VTRWUZPTSA-N	368.433	3.015	30	40	FGEB	
CCCCc1nc(SCc2ccc(C(=O)OC)cc2)nc(N)c1C#N	225893026	BAVRIFLOWINCSG-UHFFFAOYSA-N	356.451	3.352	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(SC)cc1	44916545	NURAZRDEPZRDDZ-KRWDZBQOSA-N	369.446	3.414	30	40	FGEB	
CSc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F	4119691	LNVBELXYBUOJSY-OANVXVOSSA-N	358.385	3.457	30	40	FGEB	
CC(=O)Nc1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	6363435	OCKXUKWCTMLYNW-UHFFFAOYSA-N	358.195	3.480	30	40	FGEB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	118915145	MLMBQGHFDXSTPD-ANWZHMNCSA-N	358.478	3.129	30	40	FGEB	
COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC#N)cc1OC	3351996	JFERWJBXNKFORY-UHFFFAOYSA-N	369.373	3.166	30	40	FGEB	
CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1cn2ccccc2c1C#N	14850617	KSMVTJPMSNKTTD-ODLFYWEKSA-N	359.385	3.031	30	40	FGEB	
C[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCCC#N)o3)cc2C1	4937594	YNZWKNCBRZPGSG-SNVBAGLBSA-N	362.480	3.045	30	40	FGEB	
C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2OC)C1=O	409229464	PJGJLEVYVKPGBP-MFVBVHDHSA-N	374.462	3.143	30	40	FGEB	
COc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1OC	8535493	FRHWLIYFLJRDMQ-AJKRIUKHSA-N	369.421	3.347	30	40	FGEB	
N#Cc1cnn(-c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)c1N	32815053	VPPLUJLURGBRGL-UHFFFAOYSA-N	369.331	3.180	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N[C@H]1CC(=O)N(c3ccccc3OC)C1)C2	253589420	DDUMXKKGHHZSLW-PONJGIIJSA-N	368.477	3.299	30	40	FGEB	
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2Cl)c1C#N	32950559	XEYMZVSBDBAMRP-UHFFFAOYSA-N	351.790	3.078	30	40	FGEB	
CN1C(=O)/C(=C2/Oc3cc(O)ccc3C2=O)c2cc(Br)ccc21	935985	AZPJHYBDMGARLQ-JQIJEIRASA-N	372.174	3.118	30	40	FGEB	
COc1ccc(/C=C2\S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1	12420241	FPSVFIMMSKYNGH-XAJBPTSZSA-N	367.430	3.298	30	40	FGEB	
Cc1cc(O[C@H](C)/C(O)=N/S(=O)(=O)C2CCOCC2)ccc1C(C)C	58183079	OZCKPXVNLXUUJM-CQSZACIVSA-N	369.483	3.351	30	40	FGEB	
Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccs2)s1	102738435	SZIDPTDDMRHOKT-OWRWYXLESA-N	373.415	3.127	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]	3443494	SYRHXZVDANJHRO-UHFFFAOYSA-N	361.354	3.367	30	40	FGEB	
COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c1	12910654	DKFAZQMBKAOXTH-QGZVFWFLSA-N	372.446	3.101	30	40	FGEB	
C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc(C#N)c1	6509915	ZYFDFQZHTOLFNU-LLVKDONJSA-N	351.387	3.352	30	40	FGEB	
Cc1sc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C	4704002	USILPQGLEPLCDB-UHFFFAOYSA-N	359.432	3.092	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2	7856789	QEHLMRZQODSLHF-NSHDSACASA-N	358.781	3.024	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	218566355	TZOXLYWSBQZBJQ-KZNAEPCWSA-N	360.866	3.063	30	40	FGEB	
O=C(O)COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1	33293485	BCPYMFQLPKSNFT-DHDCSXOGSA-N	372.377	3.181	30	40	FGEB	
COc1ccccc1COc1nn(Cc2ccc(F)cc2)c(N)c1C#N	225843042	FQOFDZXJLOCONL-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
COc1ccc(C(=O)/C=C/Nc2ccc(N3CCOCC3)cc2)cc1OC	44843811	OXENOFQKLAQTKM-MDZDMXLPSA-N	368.433	3.349	30	40	FGEB	
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Sc1nc(C)c(C)o1	37150150	KYJLQFLYLUBTHR-NSHDSACASA-N	354.391	3.166	30	40	FGEB	
CC1=C(N/N=C2\C=CC(=O)c3cccnc32)C(=O)[C@@H](c2ccccc2)[C@@H]1C	1554504458	VGYKTUPATMEDJC-RADCNQQKSA-N	357.413	3.404	30	40	FGEB	
COc1cc(N(CCC#N)CCC#N)ccc1/C=C1/SC(S)=NC1=O	5853503	UFTPGSRNSYAVIA-XNTDXEJSSA-N	372.475	3.229	30	40	FGEB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/N1CCOCC1	3576260	DFNNISWVWBXQJR-VXLYETTFSA-N	353.253	3.213	30	40	FGEB	
C=CCc1cc(/C=N/c2ccc(C(=O)O)cc2)cc(OC)c1OCC(=O)O	59303257	YEHHWNQCZXFQOF-SRZZPIQSSA-N	369.373	3.336	30	40	FGEB	
COc1ccc(N2C=C3C(=O)c4ccccc4O[C@H]3SCC2=O)cc1	988393	UTMYTTZKVTVWNF-IBGZPJMESA-N	353.399	3.260	30	40	FGEB	
C=CCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1	3246590	XACPXABWPTYNCV-UHFFFAOYSA-N	358.444	3.484	30	40	FGEB	
COc1cc(/N=C2/CSc3nnc(C(F)(F)F)n3N2)ccc1Cl	27753705	QQERHCHWGVQOQM-UHFFFAOYSA-N	363.752	3.338	30	40	FGEB	
Cc1cc(C)c(NC(=O)CSc2nc(O)nc(C)c2C#N)c(Cl)c1	12815496	VRMMIKZRHULCAD-UHFFFAOYSA-N	362.842	3.363	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1	78549926	WKOKUGNSIMEFML-GOSISDBHSA-N	369.392	3.441	30	40	FGEB	
Cc1c(C#N)c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2c1CCC2	9114504	YKEYZQSUINFNSZ-YJYMSZOUSA-N	356.495	3.285	30	40	FGEB	
CCCOc1c(Br)cc(/C=N/n2cnnc2)cc1OCC	4680205	YBWAJOZVVIOLDU-QGMBQPNBSA-N	353.220	3.110	30	40	FGEB	
CN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccc(C#N)cc1	15997967	KYSHCIAHIALFKK-UHFFFAOYSA-N	373.412	3.187	30	40	FGEB	
COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)c(OC)c1	7719655	LSCQLUIWSATKPI-IBGZPJMESA-N	365.433	3.351	30	40	FGEB	
O=S(=O)(C[C@@H]1CCCCO1)/N=C(O)/C=C/c1cncc2ccccc12	84694108	VMIZQMARKYNWDO-FDMDGMSGSA-N	360.435	3.103	30	40	FGEB	
CCOC(=O)c1sc(SC)c(C#N)c1I	32914938	DZRKPIICYODVAO-UHFFFAOYSA-N	353.206	3.123	30	40	FGEB	
COc1ccc(/C=C2/S/C(=N\Nc3ccccc3)NC2=O)cc1OC	8969965	FUUMHIROMMRLNP-LFIBNONCSA-N	355.419	3.291	30	40	FGEB	
CN(Cc1ccc(F)cc1Cl)S(=O)(=O)Cc1ccccc1C#N	32903138	XVHRZBZQPYFWQX-UHFFFAOYSA-N	352.818	3.313	30	40	FGEB	
CCN(CC(=O)N(CCC#N)c1ccccc1)Cc1ccc2c(c1)OCO2	53132568	KVWVNUDJJUPLNH-UHFFFAOYSA-N	365.433	3.184	30	40	FGEB	
CCOc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccc(C)cc3)N2)cc1	987724	ZJNVPAWCZJTGJV-QGZVFWFLSA-N	366.421	3.338	30	40	FGEB	
CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)c(C#N)c3)ccc21	12783071	FXIXZECTSNHFRK-UHFFFAOYSA-N	368.824	3.171	30	40	FGEB	
Cc1cccc(N/N=C(\C=N\N)C(=O)c2ccc(Br)cc2)c1	13146981	RLMNJYLIJGOVNP-OYUXLBQNSA-N	359.227	3.353	30	40	FGEB	
c1ccc(CN2CCC(=NNc3nn4cnnc4c4ccccc34)CC2)cc1	4899351	DYNCJXWSDBIACE-UHFFFAOYSA-N	371.448	3.341	30	40	FGEB	
Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	5986967	ZVKYGQBTHUWZPB-UHFFFAOYSA-N	372.808	3.471	30	40	FGEB	
COc1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1	28351301	FWYZDSDQDGMKDH-HAHDFKILSA-N	367.493	3.472	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2	222927912	QHYYURGACSAZKA-UHFFFAOYSA-N	364.445	3.499	30	40	FGEB	
Cc1cc(N=C(O)N(C)Cc2cnccn2)cnc1N1CCCC[C@@H]1C	329364030	ZXFRXLUHMRPHRC-HNNXBMFYSA-N	354.458	3.236	30	40	FGEB	
C=C1[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC(N)=O)c(OC)c4)OCC[C@@]3(C2)[C@@H]1C	257303492	SHMCREMGBFXXNE-VSIJYNSNSA-N	357.450	3.239	30	40	FGEB	
COc1cc(C#N)ccc1O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	5629777	VYTSKYLOJYJZNV-FCLDQCEHSA-N	354.450	3.419	30	40	FGEB	
C=CCO[C@H]1CC2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)CC2)c2cc(C)ccc21	1565543048	KIQYPLFUQYXSGZ-YHELAOLJSA-N	367.489	3.395	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Cl)c1	40284147	ICKCYMCVMRRSJG-MRXNPFEDSA-N	357.797	3.345	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)CCc1c[nH]c2ccccc12	47332804	JKAXMFGKXYHSEI-UHFFFAOYSA-N	350.397	3.340	30	40	FGEB	
N#Cc1ccc(OCCN2CCN(Cc3ccc(Cl)s3)CC2)cc1	23083127	GHYZPMQZENGZCA-UHFFFAOYSA-N	361.898	3.470	30	40	FGEB	
COc1ccc(/C=N/Nc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1	9683847	XVGKFMQTXUUEGX-VXLYETTFSA-N	354.435	3.318	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1	12549677	KOPOQLFHWCUUQL-HOTGVXAUSA-N	360.417	3.389	30	40	FGEB	
CC[C@]1(c2ccccc2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O	58129480	NZMPUCVRIOIPII-OAQYLSRUSA-N	358.401	3.168	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1	3313352	PBIOFXNPVREXNY-UHFFFAOYSA-N	357.464	3.318	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)cc1	4194084	IGQJFIPWGWATHI-ZDUSSCGKSA-N	357.410	3.195	30	40	FGEB	
C#CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OCC	4351410	OTUQJASBTTWRDA-GHRIWEEISA-N	362.385	3.195	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(F)cc3F)C(=O)NC2=S)cc1	408756543	SPWQAPMJUWODJJ-YOZVVDKVSA-N	373.384	3.040	30	40	FGEB	
COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1ccccc1	687752057	GSBINHXLGSDZMC-UHFFFAOYSA-N	353.227	3.247	30	40	FGEB	
C#CCCCC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)C(F)=C2CCCC2)C1	1775992838	WASMGRKMYVNZBI-ROUUACIJSA-N	360.473	3.427	30	40	FGEB	
Cc1nc(N=C2NCN([C@@H]3CCC[C@@H](C)[C@H]3C)CN2)nc2ccccc12	19332581	HSZAZYDQEZJAEE-HBUWYVDXSA-N	352.486	3.160	30	40	FGEB	
O=C(N=C1N(c2ccccc2)C(=O)C(=O)N1c1ccccc1)c1ccccc1	1644356	VEFUTPAZBSHDMO-UHFFFAOYSA-N	369.380	3.263	30	40	FGEB	
O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1nnc2ccccc21	2700750	GMZXDPSVHHMQOB-OAHLLOKOSA-N	370.412	3.242	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(C)c21	100909930	NILUOIYEDAWIDM-MRCUWXFGSA-N	366.442	3.403	30	40	FGEB	
N#Cc1ccc(F)c(CSc2n[nH]c(=O)n2CCc2ccccc2)c1	10414745	UMXZMKXNMJXNRJ-UHFFFAOYSA-N	354.410	3.117	30	40	FGEB	
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCC=C)[nH]c(=O)c32)cc1	4944411	GKJLBJUBJFPSTG-CQSZACIVSA-N	369.446	3.087	30	40	FGEB	
C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(CCC)C2=O)cc1OC	6879218	IYOJUVQOJKHPOV-AWEZNQCLSA-N	367.854	3.377	30	40	FGEB	
Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3sccc3C#N)CC2)c1C	57323219	RBJBERLRECQBFS-INIZCTEOSA-N	368.506	3.386	30	40	FGEB	
N#Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)O)c2)c1	58488440	SIKZWXRGKNTQEO-UHFFFAOYSA-N	371.201	3.364	30	40	FGEB	
CC1=NOC(=O)/C1=C\c1cc(Br)cc(Br)c1O	409089285	ZTKWOSRTKAYBLJ-BAQGIRSFSA-N	360.989	3.233	30	40	FGEB	
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1	3902116	VOXOGXLFRUOFBD-LJQANCHMSA-N	355.434	3.153	30	40	FGEB	
C[n+]1ccccc1[C@@H]1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	18044416	WOJYSKMQJAIHRX-CVALACBASA-N	370.389	3.453	30	40	FGEB	
N#Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1	5261635	KEXPZBAWQWNRJF-UHFFFAOYSA-N	359.476	3.030	30	40	FGEB	
Nc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	18200613	WDGVBJJTONSETJ-PIGZYNQJSA-N	365.368	3.008	30	40	FGEB	
C#CCN(C[C@H]1CCCO1)C(=O)NCc1cccc(COC2CCCC2)c1	72278038	LWTNDBOADAHLRA-OAQYLSRUSA-N	370.493	3.470	30	40	FGEB	
C#CCN(Cc1cccc(C)n1)C[C@H](O)COc1cccc2ccccc12	72305020	AODNPHMBPBCOFR-NRFANRHFSA-N	360.457	3.418	30	40	FGEB	
CCc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	409238682	KTKVXGALEFFKKO-PXLXIMEGSA-N	352.434	3.237	30	40	FGEB	
CCOC(=O)CC1(CNC(=O)[C@@H](C)Oc2cccc(C#N)c2)CCCCC1	89983649	ZFFPFZAHNCKDLB-MRXNPFEDSA-N	372.465	3.345	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1cccc(Cl)c1	408532136	IELZBWVGVDRICH-GFCCVEGCSA-N	359.744	3.081	30	40	FGEB	
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1	31623579	RQUCMIANFRTAJB-PXNMLYILSA-N	374.205	3.214	30	40	FGEB	
C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(F)cc1	224909943	LXQZQYDVWUFZSP-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
COc1cccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1	4689584	DIHNNJYQROBDAC-XAMWDVODSA-N	362.389	3.204	30	40	FGEB	
CC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1	991562	PBJVMUBLVIDIGS-LJQANCHMSA-N	374.400	3.375	30	40	FGEB	
N#CCOc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1	23692433	CHTISEFAPDHBJO-QGZVFWFLSA-N	352.390	3.399	30	40	FGEB	
COc1ccc(CN/N=C/c2cc(OC)c(OC)cc2Cl)cc1OC	20196162	BJYBFEHGIDSSSG-SRZZPIQSSA-N	364.829	3.498	30	40	FGEB	
C#CCN(Cc1ccc(F)cc1)C(=O)Cc1cc(OC)c(OC)c(OC)c1	58192854	ZUOMAALOWPVSQC-UHFFFAOYSA-N	371.408	3.056	30	40	FGEB	
Cc1ccccc1C(=O)OCC#CCSc1nnc(-c2ccncc2)o1	2238714	WBPWYRRZLKOUMY-UHFFFAOYSA-N	365.414	3.393	30	40	FGEB	
N#CCCn1cc(C(=O)N2CCOCC2)c(-c2ccc3ccccc3c2)n1	5000341	WYFPOXVOQKJBJR-UHFFFAOYSA-N	360.417	3.089	30	40	FGEB	
CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/C[C@H]1CCCO1	13739121	GTFVTOIVKNLZIX-HMHKGCENSA-N	370.478	3.326	30	40	FGEB	
O=C(O)c1cccc(-c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])o2)c1	409092414	XUUSXWLIAABSEB-GRSHGNNSSA-N	352.306	3.394	30	40	FGEB	
CC(C)Cc1nc(C#N)c(NC[C@@H](c2cccs2)N2CCOCC2)o1	27794097	OSJAOFFGSOLGHC-HNNXBMFYSA-N	360.483	3.292	30	40	FGEB	
CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@@H]21	97111849	PPVRBBVBODQZLS-LJQANCHMSA-N	360.417	3.213	30	40	FGEB	
N#Cc1ccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)c(F)c1	1889128449	RTVQKIUGVNOCRW-UHFFFAOYSA-N	351.303	3.374	30	40	FGEB	
C=CCn1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)c2ccccc21	20027276	VMCMFKVWZJDIMN-UHFFFAOYSA-N	363.421	3.482	30	40	FGEB	
CCCCCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	101653967	LZPIHIXPFCQPDH-CVEARBPZSA-N	356.507	3.488	30	40	FGEB	
C=CCN(C(=O)CCNC(=O)c1ccccc1)c1nc2c(s1)CCCC2	15968783	GWMTXJHIIRFXDJ-UHFFFAOYSA-N	369.490	3.361	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1	21385056	VPFIQODXZPGYIN-QGZVFWFLSA-N	352.390	3.048	30	40	FGEB	
CC(C)(C)c1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCOCC2)o1	27745238	VTUGUNWBKPZQBP-KRWDZBQOSA-N	354.454	3.329	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC([C@@H](O)c2ccccc2)CC1	12809049	HDNRTOPIFDBGNE-IERDGZPVSA-N	363.461	3.331	30	40	FGEB	
C/C(=N\NC(=S)Nc1ccccc1C)[C@@H]1Cc2ccccc2C(=O)O1	13477946	VLWNAJYYDLWJMT-RSZPVBOMSA-N	353.447	3.439	30	40	FGEB	
C=C(C)Cn1c(S[C@H](C)C(=O)O)nc2sc3c(c2c1=O)CCC3	5722853	JETANKHSTLXQHY-SECBINFHSA-N	350.465	3.088	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(Cc1ccccc1)C2	9419590	XUUPWGPPYPXXLC-UHFFFAOYSA-N	354.435	3.109	30	40	FGEB	
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1nc2ccccc2[nH]1	301055013	SFNSLLSYNZWZQG-APWZRJJASA-N	374.448	3.392	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	218362136	RFLKWMVSTSCAJK-SLFFLAALSA-N	355.459	3.400	30	40	FGEB	
COc1cc2c(cc1OC)/C(=N/Nc1cccc(C(F)(F)F)c1)C(=O)N2	223737146	LTCFJERIIFIIEG-UHFFFAOYSA-N	365.311	3.491	30	40	FGEB	
N#Cc1ccc(N2C[C@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)cc1	96238830	VUGJOIDTXZTGBD-OAQYLSRUSA-N	366.465	3.029	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1	4188392	IGUOWOADVFYNHT-XDHOZWIPSA-N	359.349	3.170	30	40	FGEB	
NC(=S)N/N=C/c1cc(Br)ccc1OCc1ccccc1	1092387	DNHOAICBMJLPMD-GIJQJNRQSA-N	364.268	3.195	30	40	FGEB	
CCN(CC(=O)NC(=O)Nc1ccccc1)[C@H](C)c1ccc(C#N)cc1	42742050	AJGDAVLHGSLDIO-OAHLLOKOSA-N	350.422	3.289	30	40	FGEB	
N#Cc1cccnc1NCCNC(=O)c1cc(C2CC2)nc2ccccc12	47253317	IUNVIBKQRUYFCV-UHFFFAOYSA-N	357.417	3.221	30	40	FGEB	
C[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	100973168	UIUVFACNPCTHQZ-KDGRRTAISA-N	358.510	3.089	30	40	FGEB	
C(=C/c1nc2ccccc2n1C[C@@H]1CO1)\c1nc2ccccc2n1C[C@@H]1CO1	5338663	HCYNDNKYCCHALF-UETGSQEOSA-N	372.428	3.354	30	40	FGEB	
C=CCSc1nnc(NC(=O)CCc2cc(C(C)=O)c(C)o2)s1	8745092	FNDOJPNISQESDT-UHFFFAOYSA-N	351.453	3.492	30	40	FGEB	
COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)O	409107337	OUJBFHYLDKJVDI-QPSGOUHRSA-N	369.299	3.018	30	40	FGEB	
Cc1ccccc1N=C[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408533278	JUEJUZRFJZCHPW-CQSZACIVSA-N	355.781	3.250	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O	409140028	PPFGCAMUKCAVHU-GXDHUFHOSA-N	353.334	3.242	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)nc1	609342812	JRVRSZOFHQHDEB-UHFFFAOYSA-N	361.430	3.225	30	40	FGEB	
CCN1C(=O)/C(=N/NC2=C(C)[C@H](C)[C@@H](c3ccccc3)C2=O)SC1=S	1554504444	TTYJKNPDIUVSHB-IAIOAQPHSA-N	373.503	3.046	30	40	FGEB	
C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)c1ccccc1	5966644	BSDXMVJEEAQFJU-AWEZNQCLSA-N	367.361	3.087	30	40	FGEB	
COc1cc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1O	16677833	TWOVPXJLYZAGRE-BKUYFWCQSA-N	359.857	3.206	30	40	FGEB	
COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCCCC#N)nc2c1	6374450	BVMXUQVDZFCNPJ-UHFFFAOYSA-N	359.451	3.235	30	40	FGEB	
CN(C)CCC/N=C(S)\N=c1\sccn1Cc1ccccc1Cl	102873749	KOCNGMAPDRRVRV-KNTRCKAVSA-N	368.959	3.390	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1	33327346	WKIURNDBEQANQG-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
CC(C)c1ccccc1/N=C/c1c(O)[nH]c(=O)n(-c2ccc(F)cc2)c1=O	104228334	HXFIPCITPVEIPP-SSDVNMTOSA-N	367.380	3.245	30	40	FGEB	
CCc1nc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1	27107202	YZDCMZYLEIMQKK-UHFFFAOYSA-N	369.450	3.147	30	40	FGEB	
C#CCNC(=O)c1ccccc1NC(=O)c1ccccc1Br	8984993	XOUKVJYOTPTQOT-UHFFFAOYSA-N	357.207	3.064	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccccc2)cc1	19904203	TVYWYWLTROXWTO-GOSISDBHSA-N	365.385	3.048	30	40	FGEB	
C#Cc1cccc(NC(=S)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1	72284619	RNDPPFFEFMHPSH-FQEVSTJZSA-N	360.486	3.075	30	40	FGEB	
COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCC#N	4048031	ZCDUYGNFOAWOSN-UFWORHAWSA-N	361.745	3.000	30	40	FGEB	
C=CCc1ccccc1OC[C@@H](S)CN1CCN(c2ccccn2)CC1	5818452	SIOUIHMXIMHZLU-IBGZPJMESA-N	369.534	3.310	30	40	FGEB	
COc1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)c(OC)c1	4481377	KFBJGXMFIZYNCI-FYJGNVAPSA-N	374.404	3.255	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCC3	2622991	RQURMADYQXBDFG-UHFFFAOYSA-N	371.487	3.436	30	40	FGEB	
CN(Cc1ccc(Br)cc1)C(=O)CNc1ccc(C#N)cc1	11155746	BVCKBEJRRLVJSF-UHFFFAOYSA-N	358.239	3.391	30	40	FGEB	
O=C(O)c1cc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Cl	5504723	UFNCNPOWINEHSW-UBKPWBPPSA-N	363.713	3.121	30	40	FGEB	
COc1ccc2c(/C=C3/C(=O)c4ccccc4S(=O)(=O)N3C)c[nH]c2c1	9047250	VZKFJPYVJASFJF-MFOYZWKCSA-N	368.414	3.034	30	40	FGEB	
C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCCOC)ccc1OC	408705766	NAEKVGBXZJDPCO-UHFFFAOYSA-N	368.433	3.052	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)NC1=S	408901030	BPQJZVGWAVFASS-XNTDXEJSSA-N	353.447	3.035	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C#C[C@](C)(O)CCC=C(C)C)N(C)CC3)OCO2	36025454	PUGTZMPAXSKRFM-VGOFRKELSA-N	371.477	3.454	30	40	FGEB	biogenic
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)c1	216776484	VPGOXDLCGXUYRK-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
Cc1cc(NC(=O)c2cc(F)ccc2Br)n(CCC#N)n1	48290770	APPROOOVPXQQPD-UHFFFAOYSA-N	351.179	3.259	30	40	FGEB	
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(CC(C)C)n2)c1	225893590	OCAJMDKEIPMCKW-UHFFFAOYSA-N	356.451	3.208	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2c(C)cc(OC)cc2C)s1	225261050	CTTLGJIVJREWRX-UHFFFAOYSA-N	371.509	3.242	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C#N)CC1	95081659	AHZFOJLBUCYQOB-UHFFFAOYSA-N	366.259	3.378	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)Cc3cccc4cnccc34)CCOCC2)c1	585123816	ANKOYLBMBVWKTC-UHFFFAOYSA-N	371.440	3.471	30	40	FGEB	
O=C1/C(=C/c2cnc(-c3ccccc3)nc2)CS(=O)(=O)c2ccccc21	53105311	WEGCWEOLEQRBPV-MHWRWJLKSA-N	362.410	3.197	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OC	5910747	CPIAEAGDCRWIPO-ZROIWOOFSA-N	359.813	3.429	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nnnn32)cc1	9660414	LAIASUJDSCEHFO-QRWLVFNGSA-N	373.416	3.097	30	40	FGEB	
Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2	20573427	AGKQXLBBSHNKIQ-WQRHYEAKSA-N	369.392	3.288	30	40	FGEB	
COC(=O)c1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1	12390431	IFYDXVDPGGVVMP-HNNXBMFYSA-N	368.393	3.078	30	40	FGEB	
C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccco1)O2	101004236	IDFLOTIBAMZFNZ-YTXYEVPYSA-N	358.357	3.402	30	40	FGEB	
C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)cc2F)C[C@@H](C)O1	55531199	OUHJQRWBLIPWRW-GASCZTMLSA-N	359.445	3.139	30	40	FGEB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2cnnc2)cc1OC	3255270	GZMLPPMEXOFJTH-FOKLQQMPSA-N	374.404	3.030	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)c1cccc(N2C(=O)CCC2=O)c1	58191554	AEZICVLZIVZVJW-UHFFFAOYSA-N	366.392	3.308	30	40	FGEB	
CCn1nc(C(=O)Oc2ccc(C#N)cc2Cl)c2ccccc2c1=O	12614969	XLCVCMRRSPBRMB-UHFFFAOYSA-N	353.765	3.161	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1	36308421	XXORVHVMNCJQDC-GFCCVEGCSA-N	373.400	3.278	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccccc1OC	12796248	KOUVUJOCMTYWAR-AWEZNQCLSA-N	354.406	3.222	30	40	FGEB	
CC1(C)Cc2c(sc3nc(N/N=C/c4ccccc4)[nH]c(=O)c23)CO1	8742849	JCFXWAYYNUWGMM-DJKKODMXSA-N	354.435	3.282	30	40	FGEB	
O=C1CSC(N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)=N1	4615429	BREOEHXDJGSLCF-DJKKODMXSA-N	373.821	3.112	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(Br)s2)C(O)=NC1=S	4723754	VANDCCDUPZKNFE-SOFGYWHQSA-N	357.254	3.164	30	40	FGEB	
COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)O2	16741247	BYNBJNABVGIMKZ-VIZOYTHASA-N	370.357	3.115	30	40	FGEB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218489928	GLBVMFYOFSNHPH-SQNIBIBYSA-N	359.834	3.297	30	40	FGEB	
C=CCOc1cc2c(cc1OCC=C)C(=O)c1cc3c(cc1C2=O)OCO3	5601050	NLBGUEBVEHJMDT-UHFFFAOYSA-N	364.353	3.320	30	40	FGEB	
C=C1[C@H](C(=O)Nc2cccc(OC)c2)[C@H]1C(=O)Nc1cccc(OC)c1	1462530	PWLSUBJULIMGGO-ROUUACIJSA-N	352.390	3.083	30	40	FGEB	
Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C#N)cc2)s1	8408838	JPRDTDDJRIWGDK-UHFFFAOYSA-N	356.403	3.073	30	40	FGEB	
C=CCN(C[C@H](O)c1ccc(O)c(C(N)=O)c1)[C@H](C)CCc1ccccc1	3039208	RGMDPZQWHAFCIO-IERDGZPVSA-N	368.477	3.034	30	40	FGEB	
CCCCN1C(=O)CC[C@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccccc1OC	23140846	ZPAIJNGVIZDHSU-WMLDXEAASA-N	371.441	3.181	30	40	FGEB	
COc1ccccc1CN/N=C/c1ccc(I)cc1	20761935	BBMRGBVXIAQYKY-LICLKQGHSA-N	366.202	3.424	30	40	FGEB	
Cc1c(C#N)c(SC[C@@H](O)COc2ccccc2F)nc2c1CCC2	66401018	JAPGMXWNJKVSLB-ZDUSSCGKSA-N	358.438	3.422	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(Cl)c1	8744793	KVTKUWOKXNWONR-GFCCVEGCSA-N	357.841	3.327	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1ccc2c(c1)OCCO2	12389304	FLAQSRVINDCESU-MRXNPFEDSA-N	368.393	3.063	30	40	FGEB	
COc1c2c(cc3c1[C@H](C/C(=N/O)c1cc(C)oc1C)N(C)CC3)OCO2	20111698	YFADBNKBRMIIGJ-NOEYKIMYSA-N	372.421	3.431	30	40	FGEB	biogenic
CC(=O)N1CCN(c2oc(/C=C/c3ccccc3Cl)nc2C#N)CC1	21799658	AYZOURAWCMACAO-VOTSOKGWSA-N	356.813	3.039	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1	102857791	FIPIXTATXJICBD-SELCWUDQSA-N	369.392	3.284	30	40	FGEB	
COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1OC	46708869	IPKYRLQEGNEEPD-UHFFFAOYSA-N	355.799	3.051	30	40	FGEB	
N#C[C@@]12C(=N)N=C3O[C@@]4(CCCC[C@@H]14)O[C@H](c1cccc(F)c1)[C@]32C#N	102534441	ZEXNXFUAFZIXDX-HLULTAIVSA-N	350.353	3.223	30	40	FGEB	
Cn1cccc1[C@H]1CCCCCN1S(=O)(=O)Cc1ccccc1C#N	8771181	PQWYBMMZHMYJIA-LJQANCHMSA-N	357.479	3.344	30	40	FGEB	
CN1[C@H]2CC[C@H]1CC(N1CCN(c3cccc(C(F)F)c3C#N)CC1)C2	577124349	LLOXAGOAOMNKJK-GJZGRUSLSA-N	360.452	3.243	30	40	FGEB	
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O	6166301	SOMAKQLBWGNNHG-XACIZNRCSA-N	354.358	3.252	30	40	FGEB	biogenic
CC/C(Nc1ccc(OC)cc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	100157963	HGKUOAMKEACCON-WAIALKQBSA-N	359.422	3.129	30	40	FGEB	
COc1ccc(N2C(=O)C(=O)/C(=C(/C)O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	101152673	KSVIWGMYKBHJGD-NIFLVVHWSA-N	368.345	3.092	30	40	FGEB	
O=C(O)c1cc(N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)ccc1Cl	103384055	WYLYXUJQMSZHGB-UHFFFAOYSA-N	360.713	3.364	30	40	FGEB	
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)[nH]1	10475508	XNZZBGVQJFEZLM-UHFFFAOYSA-N	365.418	3.083	30	40	FGEB	
CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1-c1ccccc1C#N	58418801	DVDKFYYJOCYLDJ-UHFFFAOYSA-N	365.433	3.480	30	40	FGEB	
CCn1c(SCC(=O)Nc2ccccc2C#N)nc2ccsc2c1=O	12787732	GJSDHSFLAKJQDG-UHFFFAOYSA-N	370.459	3.080	30	40	FGEB	
COc1ccc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1OC	4084369	XNOMKRUHBZMDKN-VBKFSLOCSA-N	369.417	3.091	30	40	FGEB	biogenic
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1	14170042	XALWSEGERVALRT-GOSISDBHSA-N	359.351	3.127	30	40	FGEB	
N#Cc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1	7857386	GANFFHMQMVRWPM-SFHVURJKSA-N	356.809	3.191	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1	9015262	ZKZIRXDKQDKOEZ-SFHVURJKSA-N	369.392	3.095	30	40	FGEB	
N#CC1(NC(=O)CSc2nc(-c3ccccc3)cn2N)CCCCCC1	42678645	URGLOBRRYDTHGJ-UHFFFAOYSA-N	369.494	3.089	30	40	FGEB	
N#Cc1ccnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)c1	278066190	ZHUOKIVGSLTWAO-QRVBRYPASA-N	374.444	3.365	30	40	FGEB	
N#Cc1cccnc1N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1	1776001526	YDDVOLYEWRVCME-UHFFFAOYSA-N	357.417	3.018	30	40	FGEB	
CCC[C@H]1CCCN(C(=O)NCCCCCc2[nH]nc(N)c2C#N)CC1	58195415	CRZKFNUPAAVBJP-HNNXBMFYSA-N	360.506	3.188	30	40	FGEB	
C=C(CC(=O)OCCCCCCCCCCCC)C(=O)OC[C@@H](O)CO	205083427	CRNMCVUAFQSNJS-SFHVURJKSA-N	372.502	3.293	30	40	FGEB	
COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1OC	12347785	AEGAHQASKDMHGV-CQSZACIVSA-N	369.421	3.333	30	40	FGEB	
C=CCNc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccncc2)n1	3104494	LDLSKBSOALVHMI-UHFFFAOYSA-N	366.446	3.110	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@H]1Cc1cccc(Cl)c1	57527549	QOHKNBZNNUXRQM-RPJLVFAOSA-N	359.838	3.210	30	40	FGEB	
C=CCc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(OCC)c1O	59249387	YQTKVMHRFXILMV-CIAFOILYSA-N	350.374	3.150	30	40	FGEB	
COC(=O)/C=C1\SC(N2CCCCC2)=C(c2ccc(OC)cc2)C1=O	16948928	LNEIKHIMGFIEOB-QINSGFPZSA-N	359.447	3.223	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(F)cc2)nc1	6408097	CZIYYDVCVSHKGG-DEDYPNTBSA-N	364.446	3.087	30	40	FGEB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)cc(C)c1C#N	4959714	ZWKPMQWCXWXVAS-UHFFFAOYSA-N	372.406	3.218	30	40	FGEB	
CC1CCN(c2ccc(NC(=O)CN(C)c3ccc(C#N)cn3)cc2)CC1	67785123	JNWRAUNIJQUMOR-UHFFFAOYSA-N	363.465	3.264	30	40	FGEB	
CNC(=S)N/N=C(\C)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O	96265919	JRSCKPOKCNDXQT-YDZHTSKRSA-N	364.474	3.321	30	40	FGEB	
CC(=O)c1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1	71793164	JFPJYBFPDMDTHV-UHFFFAOYSA-N	367.810	3.267	30	40	FGEB	
COc1ccc(C(=O)C2=Cc3c(cc4c(c3OC)OCO4)CCN2C)cc1	40309599	HGIABHAUUCFEAJ-UHFFFAOYSA-N	367.401	3.144	30	40	FGEB	biogenic
C=CCn1ncc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)c1C	43568690	CGSLJVVEKZNGKH-FCHUYYIVSA-N	350.510	3.269	30	40	FGEB	
CC(C)[C@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)N1Cc2ccccc2C1=O	95476605	PQSCHXHVBXFDRF-LLVKDONJSA-N	367.331	3.092	30	40	FGEB	
COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)ccc1OC(C)=O	1473745	RETZQFUXBHVORD-ODLFYWEKSA-N	368.418	3.424	30	40	FGEB	
Cc1nc(C2CC2)nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)c1F	1888863702	XKKLVMYUSRRPBY-UHFFFAOYSA-N	372.835	3.048	30	40	FGEB	
N#Cc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1	4224277	VGFOOGVEFKJLDZ-KRWDZBQOSA-N	363.398	3.460	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(Cl)c1	102799798	OEWCLIIKZMYMMM-IDTYTIONSA-N	361.781	3.001	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1	102881943	IUCSIOARAYNGLO-GHNGSUTGSA-N	351.402	3.145	30	40	FGEB	
C=CCN(Cc1ccccc1)Cn1ncc2cn(-c3ccccc3)nc2c1=O	57086289	RTKGJAIQZTWHQG-UHFFFAOYSA-N	371.444	3.228	30	40	FGEB	
CO/N=C(/CS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1	1404683	OYZUGATYLQILOL-VLGSPTGOSA-N	353.827	3.173	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2ccccc2c1=O	7980490	APZITXAGRIGCIN-UHFFFAOYSA-N	373.865	3.326	30	40	FGEB	
CCN(C[C@@H]1CCOC1)C(=O)c1ccc(COc2ccccc2C#N)o1	58229066	IUIRPMIMPVPPAR-HNNXBMFYSA-N	354.406	3.229	30	40	FGEB	
CC(C)NC(=O)NCc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1	5561881	BNZPXHVEQYEJNI-UHFFFAOYSA-N	351.406	3.123	30	40	FGEB	
C=CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	4977048	FYXVFSRQZRMWFC-HXUWFJFHSA-N	352.459	3.377	30	40	FGEB	
N#Cc1cccc(CN2CCN(Cc3ccc(Br)cn3)CC2)c1	95960370	JXOOHRLFTVXCIO-UHFFFAOYSA-N	371.282	3.034	30	40	FGEB	
COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc2c(c1)OCO2	40128257	GVSWBXNBMFRPML-UHFFFAOYSA-N	355.346	3.060	30	40	FGEB	
O=C(/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)NO	226290511	CEHOYDSQIQXWBX-ZZXKWVIFSA-N	353.128	3.136	30	40	FGEB	
CC(=O)c1nn(-c2ccccc2Cl)/c(=N/N=C/c2ccc(O)cc2)s1	5726503	PBEBAMXVVKIOCB-HCDAPJTOSA-N	372.837	3.430	30	40	FGEB	
Cc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)c1	13573515	XKSVWSNBVIVDMB-MRXNPFEDSA-N	364.430	3.119	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccc2F)no1	102929860	OUEFLHZIOPCDGM-IBOXJLQUSA-N	368.320	3.341	30	40	FGEB	
Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3cnc(C)s3)c2)n1	58419357	ABFDBELXVXMBME-UHFFFAOYSA-N	355.467	3.150	30	40	FGEB	
C/C(=N/Nc1nc(SCC#N)n[nH]1)c1ccc(Br)cc1	6854971	ZBDYXLMTNDLGNB-PXNMLYILSA-N	351.233	3.019	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(C[C@H](C)CC1=O)N2	22608555	CCJVHVYHKBTEME-MGPLVRAMSA-N	356.451	3.364	30	40	FGEB	
N#Cc1ccc(NCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1	84445835	KMOCXCMDTMGJLL-UHFFFAOYSA-N	359.433	3.253	30	40	FGEB	
CCc1ccccc1/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408765043	ZAAMRSRKSVNYDZ-YQODDJSKSA-N	365.458	3.324	30	40	FGEB	
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224890534	IEXXSKXJJHLGMR-UHFFFAOYSA-N	360.435	3.035	30	40	FGEB	
C[C@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)c1ccc(F)cc1	14129672	JVMFUQNNCDOARM-JTQLQIEISA-N	369.377	3.404	30	40	FGEB	
CC(=O)Oc1ccc(O)c2c1C(=O)C(Cl)=C(Nc1ccccc1)C2=O	100251657	VCYFSQPHNSHVEN-UHFFFAOYSA-N	357.749	3.259	30	40	FGEB	
Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc2c(c1)OCCO2	8048440	JHTYPYLQBSSGFP-UHFFFAOYSA-N	359.352	3.286	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1	56848826	FWXFRWNLGPPGMI-GOSISDBHSA-N	355.825	3.495	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1	409382638	WDYGIAMKLNVTII-UHFFFAOYSA-N	358.463	3.328	30	40	FGEB	
C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1	245239846	MQTQESZYELRKMR-KUXHWFLBSA-N	372.505	3.316	30	40	FGEB	
N#Cc1c[nH]c(=Nc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)s1	585293042	CPTQPGGQJMLDCH-KRWDZBQOSA-N	362.462	3.307	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2cc(F)ccc2F)c(O)c2ccccc21	12414646	VCUYJXKMCDLUSF-UHFFFAOYSA-N	356.328	3.424	30	40	FGEB	
O=C(O)CC/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	17044841	TUHZOEGNBYUDRX-GHRIWEEISA-N	358.310	3.184	30	40	FGEB	
COc1ccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OC	7491308	NYGCZTCOILAIBG-CIAFOILYSA-N	373.522	3.471	30	40	FGEB	
COCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)ccc21	100872619	LBZDBJXZOOUSMO-UZYVYHOESA-N	355.394	3.101	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H]3[C@H]4c5ccccc5C=CN4[C@@H](C#N)[C@@H]3C2=O)cc1C	9357329	SBYZGZPMKFVJRF-UWHLTILDSA-N	369.424	3.342	30	40	FGEB	
N#Cc1c(N)nc(S[C@@H]2CCCCC2=O)c(C#N)c1-c1ccc(O)cc1	21475711	QSKVKJBPWZNONT-MRXNPFEDSA-N	364.430	3.384	30	40	FGEB	
CC(C)CC[C@H]1C[C@@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	1901546	KMBZCPJMECMRIE-GUYCJALGSA-N	369.279	3.064	30	40	FGEB	
N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCCC2	2256982	BLKOYZFXPHZLKO-UHFFFAOYSA-N	352.825	3.498	30	40	FGEB	
CS/C(C)=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)SC	13827882	XDOTVMNBCQVZKG-MKICQXMISA-N	354.479	3.079	30	40	FGEB	in-vitro
CCOC(=O)c1ccc(N/N=C\c2ccc(OC)c(OC)c2C(=O)O)cc1	4812418	BOGAKJAOHMJHFN-JAIQZWGSSA-N	372.377	3.025	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl	7646239	WSBVOAZWMGLOOU-UHFFFAOYSA-N	356.737	3.347	30	40	FGEB	
COC(=O)CCN(Cc1ccc(F)c(F)c1)c1ncc(C#N)cc1Cl	89400818	JARBTJOWXDABEF-UHFFFAOYSA-N	365.767	3.455	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(F)c(C)c3)C(=O)NC2=S)cc1	408760851	AFWRYUTYONPYQK-UNUHRMFVSA-N	369.421	3.209	30	40	FGEB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc([N+](=O)[O-])cc1	408737266	MXBMRVISSLSSMD-JLWFYQMASA-N	351.362	3.279	30	40	FGEB	
CCn1c(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc21	408692811	VYXYPHFQQQOXKJ-GIJQJNRQSA-N	353.338	3.139	30	40	FGEB	
O=C(/C=C\c1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccccc1[N+](=O)[O-]	16973202	LDZOZIDZFFKDDX-HWAYABPNSA-N	352.302	3.368	30	40	FGEB	
C=CCN1CCC[C@@]12CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2	1565554472	RYHDKTOUQNKVJT-LJQANCHMSA-N	358.873	3.244	30	40	FGEB	
O=C1N[C@H](c2ccccc2)C(C(=O)c2ccc(Br)cc2)=C1O	6813927	IQYJCOUUNWMGNH-CQSZACIVSA-N	358.191	3.315	30	40	FGEB	
COC(=O)CC(OC)(OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	2526245	XPOSYKDOZHQEMJ-UHFFFAOYSA-N	366.176	3.007	30	40	FGEB	
CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccs2)C3=O)CC1	22859943	RVEHSIBRSBWQKJ-PDGQHHTCSA-N	370.474	3.207	30	40	FGEB	
N#Cc1ccnc(N2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)c1	22898631	TXALPTYBNKVSBZ-UHFFFAOYSA-N	366.421	3.269	30	40	FGEB	
C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccoc2C)nc1C	24828370	ZVJIWIRSDABZAH-UHFFFAOYSA-N	361.452	3.338	30	40	FGEB	
Cc1oc(NC(=O)CN2CCC(C(=O)c3ccccc3)CC2)c(C#N)c1C	25056482	GGPOTZQEITVUQN-UHFFFAOYSA-N	365.433	3.302	30	40	FGEB	
CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1	5385043	RWPUELGRKHRGLT-FBMGVBCBSA-N	352.843	3.441	30	40	FGEB	
CCOc1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cc(C#N)c2=O)cc1	5863607	RTMQRWKORCYLML-UHFFFAOYSA-N	374.396	3.353	30	40	FGEB	
CSc1nc(Oc2ccc(C)cc2)cc(-n2nc(C)c(C#N)c2N)n1	75251377	KNHVYPGBDKDNDT-UHFFFAOYSA-N	352.423	3.247	30	40	FGEB	
C#CCOc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)cc1OC	409058548	YMWBJXDAWYFPCV-DEDYPNTBSA-N	364.430	3.137	30	40	FGEB	
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OCC)cc2)c1	223716877	VAXSMGQJECEQNB-UHFFFAOYSA-N	361.463	3.471	30	40	FGEB	
Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1C#N	589890289	PNBWTWDAWSIEKS-GOSISDBHSA-N	355.463	3.048	30	40	FGEB	
COc1ccc(/C=C2/S/C(=N/c3cccc(O)c3)NC2=O)cc1OC	11847385	ZPPOWUWUMGADQF-CXUHLZMHSA-N	356.403	3.301	30	40	FGEB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1[N+](=O)[O-]	16973214	LDZOZIDZFFKDDX-WGDLNXRISA-N	352.302	3.368	30	40	FGEB	
COc1ccc(Br)cc1/C=N\N=C1/C(=O)Nc2ccccc21	4582637	KSSSNBLTTBRENS-NVMNQCDNSA-N	358.195	3.233	30	40	FGEB	
CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)nn1	1888864310	MRFJKMFOMXSQLZ-MRXNPFEDSA-N	364.449	3.187	30	40	FGEB	
Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O	13816289	FEEBXOSSHAERKQ-YBEGLDIGSA-N	357.431	3.211	30	40	FGEB	
N#Cc1ccc(C(=O)c2cccc(CN3CCC4(CC3)OCCO4)c2)cc1	2515222	DGYVSTHZLBTZKV-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
COc1ccc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC	21036428	SZYXGNTULISECT-FOCYVMGBSA-N	368.433	3.421	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-]	847105	BFQGHZWUBJHUDX-INIZCTEOSA-N	356.309	3.223	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100201315	RYZNRFOSCDAQJF-QAZKTLABSA-N	372.424	3.235	30	40	FGEB	
CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(C#N)ccc2F)c1	11283768	JRWHXSZDJJXJME-UHFFFAOYSA-N	367.785	3.111	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1	5045103	ZETKDZXFDQRECE-QGZVFWFLSA-N	355.390	3.121	30	40	FGEB	
C=CCNc1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1	5119736	CPXXHIJRCRCJGI-UHFFFAOYSA-N	368.441	3.024	30	40	FGEB	
Cc1cc(=O)oc2c3c(ccc12)O/C(=N\Nc1cccc([N+](=O)[O-])c1)C3=O	5441885	NECJUQIKWYWKFB-ZZEZOPTASA-N	365.301	3.010	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CN(CCCO)Cc1cccnc1	89913985	MGSIIOWJMJESKM-UHFFFAOYSA-N	371.506	3.183	30	40	FGEB	
COc1cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc(Br)c1O	408978772	JYVYORDQWKRYCU-UHFFFAOYSA-N	374.238	3.388	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1	225147941	ADAKRMYYVQUPFF-UHFFFAOYSA-N	365.838	3.415	30	40	FGEB	
N#C[C@@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1ccc(Cl)cc1	14163230	YPXIEQTWADRGOJ-LSDHHAIUSA-N	364.792	3.455	30	40	FGEB	
O=C(NOC(=O)C1CCOCC1)OCC1c2ccccc2-c2ccccc21	38804190	JKPWOSRBTBRQLD-UHFFFAOYSA-N	367.401	3.410	30	40	FGEB	
CN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1	47086203	MQWWFEWJHYIYLY-UHFFFAOYSA-N	350.403	3.142	30	40	FGEB	
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21	894948	UTPAHIYYZUPGHZ-IWHGQQBYSA-N	372.218	3.261	30	40	FGEB	
CN(CCC#N)c1ccc(CNCC2(N3CCOCC3)CCCCC2)cc1	22923940	RHUKKIHWHCGEQA-UHFFFAOYSA-N	370.541	3.161	30	40	FGEB	
C=CCc1ccc(OC[C@H](O)COc2ccc(NC(C)=O)cc2)c(OC)c1	27211825	ZCAZAUWIFGLAET-GOSISDBHSA-N	371.433	3.201	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)C(=O)NC1=S	408903470	YHYSAOWYVNTWQT-RVDMUPIBSA-N	361.426	3.134	30	40	FGEB	
CCc1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1	5234047	JWNAYBIFMYPBFM-XNHPLOEXSA-N	353.447	3.119	30	40	FGEB	
Cc1cc(OCC(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl	5994220	GOWNNECSYKVSQG-CYBMUJFWSA-N	372.808	3.469	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)cc1CC(=O)O	7353165	BNCKMCUEEOGABN-VQHVLOKHSA-N	356.374	3.236	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1F	16742104	ZRHMJOBOMQYMOG-OAHLLOKOSA-N	361.756	3.354	30	40	FGEB	
C=CCOc1cccc(-c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)c1	1501040211	FUVBARABZDSTCJ-CQSZACIVSA-N	355.467	3.227	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218469978	XZIFXFOCGAOULE-CEXWTWQISA-N	359.422	3.312	30	40	FGEB	
C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC	223544743	NHHWLTSVKQIEFS-OAQYLSRUSA-N	366.461	3.477	30	40	FGEB	
Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2ccc(O)cc2)c(Cl)c1	95472016	PBXVXGQIIOZDRA-IUXPMGMMSA-N	359.234	3.320	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1	604523199	LVYVUZXHYBKQLR-UHFFFAOYSA-N	372.831	3.325	30	40	FGEB	
N#Cc1ccnc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c1	12764233	WKYLRXWKNRWQHR-UHFFFAOYSA-N	357.417	3.461	30	40	FGEB	
Oc1ccccc1/C=N/N=c1nc(O)c2ccccc2n1-c1ccccc1	408730448	GKFGQXBVNCFOAW-HYARGMPZSA-N	356.385	3.372	30	40	FGEB	
N#Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1	6751945	LCEZAOJJZINRJA-UHFFFAOYSA-N	358.401	3.247	30	40	FGEB	
C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1C	7785541	ZTQAJSDOSLBFRZ-UHFFFAOYSA-N	372.425	3.476	30	40	FGEB	
Cc1ccc(/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408761045	GVUHNCIMRNJOOQ-VBNMEBLOSA-N	351.431	3.070	30	40	FGEB	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F	48234640	SVXCEXGHOIVRSM-CQSZACIVSA-N	352.413	3.186	30	40	FGEB	
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	252514569	CWPUUSLREALRNV-KURKYZTESA-N	359.834	3.297	30	40	FGEB	
O=S(=O)(/N=C(\O)CCCc1ccccc1)c1ccc2c(c1)OCCO2	48461880	PCLZLSHSYCIGAX-UHFFFAOYSA-N	361.419	3.126	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CC[C@@H](Oc3ccncc3Br)C2)n1	1889103093	GWSPCPMUBYXDJI-CYBMUJFWSA-N	373.254	3.385	30	40	FGEB	
CCc1nnc(NC(=O)CSc2nc3c(c(C)c2C#N)CCCC3)s1	1070917	XOXXCQKVMOMJOW-UHFFFAOYSA-N	373.507	3.285	30	40	FGEB	
CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O	5157888	BIUNQGQTMUZCHR-SXGWCWSVSA-N	354.318	3.271	30	40	FGEB	
COc1ccc(C)cc1NC(=O)[C@H](C)O/N=C/c1cccc([N+](=O)[O-])c1	30497018	XJXIELKJLABGON-MDBUFAAASA-N	357.366	3.290	30	40	FGEB	
Cc1cc(/C=N/c2ccc(CN3CCOCC3)cc2)c(O)c([N+](=O)[O-])c1	6921967	VOJBCNCOCFLIFT-UDWIEESQSA-N	355.394	3.192	30	40	FGEB	
CC1=CC(=O)[C@H](C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)C(=O)O1	102500240	PJQROIFBRQGQNU-IJDCCNJMSA-N	370.792	3.062	30	40	FGEB	
Cc1nn(-c2ccccc2)c(COc2cc(Cl)ccc2C(N)=O)c1C#N	58404117	ZRJXZRZOEOPAGZ-UHFFFAOYSA-N	366.808	3.384	30	40	FGEB	
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1	2325382	YATJTBJBEBLGIW-HNNXBMFYSA-N	350.422	3.202	30	40	FGEB	
Cc1ccc2nc(C3=C(N)N(c4ccc(OC(C)C)cc4)CC3=O)[nH]c2c1	8844117	PXRMLXOCYRPZFG-UHFFFAOYSA-N	362.433	3.375	30	40	FGEB	
N/C(=N\OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl	4723224	JEPSNJSJOJZQRQ-UHFFFAOYSA-N	354.149	3.379	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)N1C	408929338	IVZVBOPNLROSOX-HENYTUMCSA-N	373.390	3.395	30	40	FGEB	
Cn1cccc1[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	9753591	JLCLTPMXHDHFSU-MRXNPFEDSA-N	354.479	3.223	30	40	FGEB	
C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@H]2C[C@@H]1C2(C)C	217586235	AFQQUICKZPLXEB-LGUDKRKLSA-N	350.422	3.281	30	40	FGEB	
CCCCOc1ccc(N=C(O)N2CCC(O)(C(F)(F)F)CC2)cn1	331110858	JBWOOXBXLTZXSZ-UHFFFAOYSA-N	361.364	3.195	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252514946	FJBZOHUXLUKREY-XUVXKRRUSA-N	371.458	3.100	30	40	FGEB	
C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3	100165234	YRCAGXDMMKPGNP-TVEAVKIZSA-N	359.809	3.046	30	40	FGEB	
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1	12391357	RXZXPVCPUBUITH-MRXNPFEDSA-N	370.409	3.309	30	40	FGEB	
CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	44573573	WSTGCQRAMQTAOH-IBGZPJMESA-N	369.371	3.378	30	40	FGEB	
N#Cc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)cc1	28305451	SXWORSYLVBCEQV-UHFFFAOYSA-N	373.460	3.068	30	40	FGEB	
C/N=C1/S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1C	13842727	QOKTXRHGFMGDON-UMMGRLDJSA-N	361.648	3.340	30	40	FGEB	
CC1CCN(Cc2csc(NC(=O)COc3ccc(C#N)cc3)n2)CC1	14245909	PZLIECHYZMSAMI-UHFFFAOYSA-N	370.478	3.264	30	40	FGEB	
COC(=O)c1sc2ncc(/C=C3\CCc4c(cnn4C)C3=O)cc2c1C	65999583	TXZITYFTQQARSV-WUXMJOGZSA-N	367.430	3.337	30	40	FGEB	
COc1ccc(C[C@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1	4712945	KDXYFBGKYMELHR-VYVDHXHBSA-N	353.447	3.250	30	40	FGEB	
N#CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc1	5165310	HVGJACWYDVLTRQ-UHFFFAOYSA-N	363.446	3.061	30	40	FGEB	
C[C@@H](Oc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1)C(=O)O	15013346	KKDOEYJWNUUQOA-XWCAUFEOSA-N	354.406	3.126	30	40	FGEB	
CCOCCC/N=C(\S)NCCNc1nc2ccc(C)cc2cc1C#N	20151243	JWGJIHOIIAQQEK-UHFFFAOYSA-N	371.510	3.129	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2	4436191	SJCRULUBVITFLK-MRXNPFEDSA-N	356.451	3.421	30	40	FGEB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)cc1	6819778	SIRWXHIYXJBENQ-QAPCUYQASA-N	363.413	3.405	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1	8744795	ZTNJPBMGXMZLES-GFCCVEGCSA-N	357.841	3.327	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OCC	408821287	FQSRGJALSSOURF-WQLSENKSSA-N	353.852	3.240	30	40	FGEB	
Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(-c2ccccc2C)n1	589585868	OVLRGRTZCLQSKO-UHFFFAOYSA-N	366.446	3.356	30	40	FGEB	
COC(=O)C[C@H]1Cc2cc3cccc(O)c3c3c2C(=C/C(=C/C(C)=O)O3)O1	4293363	HIZAPXXWZHIWBZ-HWIKDYBBSA-N	366.369	3.256	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccs2)s1	13722369	LVGMJVRIGADXER-LBPRGKRZSA-N	373.415	3.284	30	40	FGEB	
COc1ccc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC	21036434	SZYXGNTULISECT-RHJMSYDWSA-N	368.433	3.421	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1O	4498580	AJUOZKVBKYGUAZ-UHFFFAOYSA-N	373.463	3.024	30	40	FGEB	
CCNC(=S)N/N=C/c1cccn1-c1ccc(Br)cc1	6570035	XKLYPKNGSMDZEQ-LICLKQGHSA-N	351.273	3.058	30	40	FGEB	
COc1ccccc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nccn1C	17591355	LLNJSWYOYKYUTO-GOSISDBHSA-N	363.377	3.410	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OC)c(OC)c1	24034411	ZSURIOBQFNNUSA-IBGZPJMESA-N	354.406	3.465	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(C)cc1	102730068	VYRISYJODJTKLP-HVESIFNPSA-N	355.390	3.046	30	40	FGEB	
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC1CC1	3226445	JLIVPLWJMJTOEB-UHFFFAOYSA-N	352.415	3.145	30	40	FGEB	
Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1	36434213	VSVOPDINJSHSBZ-AWEZNQCLSA-N	355.456	3.100	30	40	FGEB	
COc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)c1	18325203	DDFKTEQUJFJZQJ-HNNXBMFYSA-N	373.409	3.082	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccccc2)cc1	19904205	TVYWYWLTROXWTO-SFHVURJKSA-N	365.385	3.048	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)[C@@H]3[C@H]4Cc5ccccc5[C@@H]43)CCOCC2)c1	600097733	FKKDXPYURRELBV-PCCBWWKXSA-N	358.441	3.266	30	40	FGEB	
CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	675031138	XBTQQBVOXKLBPH-NNSLXYAFSA-N	364.358	3.428	30	40	FGEB	
Cc1ccc(OCCOCCOc2ccc(/C=N/c3nnc[nH]3)cc2)cc1	6213441	BALUTYOEZKIYLF-KGENOOAVSA-N	366.421	3.338	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	19460739	BTWOHIIKTHRZBZ-JTSKRJEESA-N	370.468	3.493	30	40	FGEB	
C=CCOc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1	30523722	ZIFTWEKYYWQBEW-UHFFFAOYSA-N	366.461	3.014	30	40	FGEB	
C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1)S(C)(=O)=O	20105280	LQMQZAKLFPBFDV-INIZCTEOSA-N	372.490	3.438	30	40	FGEB	
CC(=O)c1cccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1	13776512	RHUGXZBULQHGLV-UHFFFAOYSA-O	360.437	3.230	30	40	FGEB	
Cc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408744310	ZKLXPWLIPSYORF-DGURAOSJSA-N	371.849	3.415	30	40	FGEB	
Cc1cc(N2CCOCC2)nc(NCc2ccc(OC(C)C)cc2)c1C#N	71281550	PTKGNFHUZACIMQ-UHFFFAOYSA-N	366.465	3.498	30	40	FGEB	
CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218043848	KHUFKDXTQUJARO-CMKODMSKSA-N	369.442	3.008	30	40	FGEB	
COc1cc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)cc(OC)c1O	13454387	PCLFSFQEDFZNSB-OQLLNIDSSA-N	372.402	3.007	30	40	FGEB	
C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	3898902	ZAFWZYJABGQURM-LICLKQGHSA-N	358.310	3.110	30	40	FGEB	
COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2ccc3c(c2)CCO3)n1	52778891	GZMZIPYNFBTXIM-UHFFFAOYSA-N	350.378	3.246	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)/C1=C(\O)c1ccccc1	102805198	ALWLPLQIMQWIFL-LFVOPCPISA-N	371.396	3.099	30	40	FGEB	
CNC(=S)N/N=C(\C)CCCCCCCC/C(C)=N/NC(=S)NC	8618676	WVKDQIOSPPCJBV-IWGRKNQJSA-N	372.608	3.047	30	40	FGEB	
CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1	1000585	OZUFKUTXMDGQAZ-GALDBLJUSA-N	357.410	3.416	30	40	FGEB	
COCCOC(=O)/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(C)=O	3189627	WLKUOYJZJXWKJH-RGEXLXHISA-N	368.385	3.068	30	40	FGEB	
CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(C(=O)O)cc1	100214938	OAWLYMSWJPMNCZ-PXJVAEEZSA-N	354.387	3.324	30	40	FGEB	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c(C)c1	12911011	HGOIOBRHXLXYDV-UHFFFAOYSA-N	371.462	3.026	30	40	FGEB	
CCCCOc1ccccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N	5009290	IOWFHROITCPJND-UHFFFAOYSA-N	362.433	3.458	30	40	FGEB	
O=S(=O)(c1cccc(/N=C/c2cccc(O)c2O)c1)N1CCCCC1	4979823	KRVABSHORSDQRP-CPNJWEJPSA-N	360.435	3.023	30	40	FGEB	
C#CC(CC)(CC)NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O	7786296	ULCFIMQAGNUBHK-UHFFFAOYSA-N	357.841	3.116	30	40	FGEB	
CN(Cc1ccccc1Br)S(=O)(=O)c1ccc(C#N)cc1	9376377	VZLGBVYSICTVQV-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
CC(=O)N1CCCCC[C@@H]1C1CCN(CCOc2cccc(C#N)c2)CC1	72273495	OAQHGBVOQUPMAO-JOCHJYFZSA-N	369.509	3.440	30	40	FGEB	
N#CCCN(CC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1Cl	97212737	SMIGCRGUBVUQQO-RMKNXTFCSA-N	352.765	3.418	30	40	FGEB	
C=CCN1C(=O)S/C(=C/c2cc(OC)c(O)cc2Br)C1=O	409073647	WSGVQYWBKCIDKM-WUXMJOGZSA-N	370.224	3.386	30	40	FGEB	
C=CCn1c(=O)n2nc(Cc3ccccc3)nc2c2c(C)c(C)sc21	32094030	GHILZWCOHPDXAW-UHFFFAOYSA-N	350.447	3.499	30	40	FGEB	
C=CCOc1ccc(/C=C2/NC(=O)N(CC=C)C2=O)cc1Br	409130659	XEPDFMSXHPBRKF-JLHYYAGUSA-N	363.211	3.093	30	40	FGEB	
C=CCNC(=O)c1ccccc1OCc1nc(-c2ccc(OC)cc2)no1	33013016	PXTLTTYQINILNT-UHFFFAOYSA-N	365.389	3.240	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	224806318	MNRSFPFGRRDKJJ-UHFFFAOYSA-N	372.446	3.151	30	40	FGEB	
C/N=C1/S/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1C	98028370	QOKTXRHGFMGDON-QMZAVZIESA-N	361.648	3.340	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(c3nc4cnccc4s3)C2)c1	1776007974	PTMKZFHCCOLYKG-AWEZNQCLSA-N	351.435	3.253	30	40	FGEB	
C[C@@H]1C[C@@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn21	1776007761	WFBDMZOCBGIXFH-UKRRQHHQSA-N	374.294	3.157	30	40	FGEB	
O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1ccccc1	3198415	NYLHZBDBSAAQCN-UHFFFAOYSA-N	371.462	3.190	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1	40039016	HNMZGCLBGOEHSD-LJQANCHMSA-N	370.474	3.128	30	40	FGEB	
COC(=O)C(C(=O)CSc1cccc(OC)c1)=C1Nc2ccccc2N1	31817369	FXKFUTIQKQZQIG-UHFFFAOYSA-N	370.430	3.279	30	40	FGEB	
COC(=O)c1cccc2c3c([nH]c12)CCN(c1snc(Cl)c1C#N)C3	51906943	NEZZLWFMPWBCME-UHFFFAOYSA-N	372.837	3.499	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(C)ccc21	100875077	DCHSAJDPIIREBF-MRCUWXFGSA-N	366.442	3.403	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)C1CCN(C(=O)c2cccs2)CC1	25729527	AEOCEMCPJFLBRR-UHFFFAOYSA-N	370.430	3.086	30	40	FGEB	
COCCOC(=O)c1c(C)oc2cc(Br)c(OCC#N)cc12	2318877	LFQSWMXATXIZPO-UHFFFAOYSA-N	368.183	3.209	30	40	FGEB	biogenic
O=C(O)COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1	409074090	RUVSLFZTPICSNL-UHFFFAOYSA-N	368.385	3.278	30	40	FGEB	
CN1CCc2c(sc(NC(=O)Cn3ccc4ccccc43)c2C#N)C1	408583834	XFJPMPAQXYNLMO-UHFFFAOYSA-N	350.447	3.201	30	40	FGEB	
Cc1ccc2cc(C#N)c(N3CCCN(C(=O)c4ccco4)CC3)nc2c1	35314096	WFIFUYBBMLRCQY-UHFFFAOYSA-N	360.417	3.360	30	40	FGEB	
N#Cc1ccc(N=c2cnc([C@H]3CCCCN3Cc3ccccn3)c[nH]2)cn1	585294416	QVLORRXBVRBRTC-HXUWFJFHSA-N	371.448	3.031	30	40	FGEB	
C=CCSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1	1888928909	PETXZJJSPZCYHF-UHFFFAOYSA-N	370.352	3.316	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1)c1ccccc1	5484076	FPUXCLSSIDLQSQ-KRWDZBQOSA-N	357.369	3.260	30	40	FGEB	
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2sccc2C1	22137492	GNLDALCPPWNTKO-CYBMUJFWSA-N	364.430	3.034	30	40	FGEB	
CC(=O)Nc1ccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1Cl	22806786	WEEYGZABOOWITJ-LBPRGKRZSA-N	362.861	3.441	30	40	FGEB	
CCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1	3137177	LTIKTFXSMQPENL-KRWDZBQOSA-N	367.430	3.376	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@@]23OC(=N)[C@]1(C#N)[C@@H](c1cccc(F)c1)O3	102706366	QOXYKXOQFVXHFB-VVWQDTPRSA-N	350.353	3.335	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1	102728512	XROODVDHLZVJQG-GHNGSUTGSA-N	369.417	3.355	30	40	FGEB	
C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1	2302870	GKINROLLKQITES-UHFFFAOYSA-N	353.385	3.470	30	40	FGEB	
CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cn2ccccc2c1C#N	8744642	BGRHPMBWFLSJAR-UHFFFAOYSA-N	372.350	3.299	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/Nc2ccc3nnc(-c4ccccc4)n3n2)cc1	4698062	QWNKHNWEYONUFI-XDHOZWIPSA-N	359.349	3.146	30	40	FGEB	
O=C(O)c1ccc(/C=N\Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	31783703	WSWOAZNJZCMGPA-JMIUGGIZSA-N	368.780	3.030	30	40	FGEB	
N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](Cn2cncn2)C1	573201944	IEZOQRFMJLSXAS-CYBMUJFWSA-N	352.829	3.268	30	40	FGEB	
COc1ccc(/C=N/Nc2nc3ccccc3s2)c(C(=O)O)c1OC	4557563	CXCOTHBLPGTNJA-GIJQJNRQSA-N	357.391	3.458	30	40	FGEB	
COc1ccc(Nc2ccc(C#N)cc2[N+](=O)[O-])cc1N1CCCC1=O	40091233	VLTNZLPWNWDAQJ-UHFFFAOYSA-N	352.350	3.345	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1	4935387	NLEGJIRLCJVKOT-UHFFFAOYSA-N	354.366	3.478	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)cc1	32913507	RWBSRZROTLBWDE-UHFFFAOYSA-N	352.434	3.465	30	40	FGEB	
N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1	9058027	IQHHJYDDBGWQML-UHFFFAOYSA-N	371.330	3.070	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(F)cc4)[C@H]3[C@@H]3O[C@@]132	12659907	LXVOWNYHSOFXRJ-YYFJKRLYSA-N	373.468	3.441	30	40	FGEB	biogenic
C/C(=N\NC1=NS(=O)(=O)c2ccccc21)c1ccc2ccccc2c1O	45870831	MRWREUGUSCTURN-UDWIEESQSA-N	365.414	3.008	30	40	FGEB	
COc1ccc(C)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N	5009221	GDLUWLSPEXWPMT-UHFFFAOYSA-N	351.431	3.330	30	40	FGEB	
COc1ccccc1NC(=S)N/N=C1/C(=O)N(C(C)C)c2ccccc21	6299301	MUAYGWLYVITONL-HEHNFIMWSA-N	368.462	3.141	30	40	FGEB	
N#Cc1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	5505983	QGIHJMJZHOYQBY-UHFFFAOYSA-N	354.347	3.094	30	40	FGEB	
C#C[C@@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1	89261401	NBXJGABHTNZEBI-LJQANCHMSA-N	354.427	3.229	30	40	FGEB	
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC(F)F)c1	46035874	ACBSORZPRDVSDB-NSHDSACASA-N	352.362	3.199	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1F	2624191	KILNGRMFBQTNQZ-UHFFFAOYSA-N	373.413	3.297	30	40	FGEB	
C=CCNC(=O)[C@@H](C)OC(=O)c1ccccc1SCc1cc(C)no1	32829290	INSOVLCTLXYELY-CYBMUJFWSA-N	360.435	3.123	30	40	FGEB	
Cn1ncc(/N=C/c2ccc(OC(F)F)cc2)c1C(=O)NCc1ccco1	2797771	GKZRRHJQMYAQAW-ZVBGSRNCSA-N	374.347	3.295	30	40	FGEB	
O=C1C(=O)N(c2ccccn2)[C@@H](c2cccnc2)/C1=C(\O)c1ccccc1	102864396	LCWRBNOTWODFOD-GHNGSUTGSA-N	357.369	3.103	30	40	FGEB	
C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)C(=O)N1C	59105182	SOPMFDWMJXLIGM-ZDWRFWLISA-N	369.446	3.324	30	40	FGEB	
N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccco1)N1CCOCC1	27795049	PVICCSGYWBTXGO-CQSZACIVSA-N	370.434	3.353	30	40	FGEB	
CC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1	36168901	NAOAYPVOFACCFS-GIJQJNRQSA-N	372.406	3.192	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nnc(C)n1-c1ccccc1C	14094883	SNVKYLIXASBXNW-UHFFFAOYSA-N	356.495	3.284	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)C(=O)NCCc3ccccc3)c2C#N)C1	26961053	RGTSJWZVNRNYRA-ZDUSSCGKSA-N	367.474	3.042	30	40	FGEB	
COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc2c1OCO2	408963279	YSBLVYFDBNRKGZ-OVCLIPMQSA-N	372.377	3.455	30	40	FGEB	
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccc(Cl)cc2C#N)C1	548006470	ZCVNDICOTLQTDC-KRWDZBQOSA-N	360.870	3.218	30	40	FGEB	
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)o2)S1	409008745	DTDVJEDHDBSVCS-VBKFSLOCSA-N	369.446	3.316	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@@H]2C)c1	225859131	SUHWAXCTAFHHTR-INIZCTEOSA-N	350.466	3.242	30	40	FGEB	
CN(CCCN=Cc1ccccc1O)CCCN=Cc1ccccc1O	1857776508	ZWZQCMKZDVYHJR-UHFFFAOYSA-N	353.466	3.348	30	40	FGEB	
N#Cc1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1	32740582	WPEOAYTZJNOUEV-UHFFFAOYSA-N	373.206	3.273	30	40	FGEB	
COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)cc1OC	803779	UEUBJYOFCWPWTR-UHFFFAOYSA-N	369.446	3.190	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCOc3ccccc32)n1	27674123	DTYIFJLFVYZVAM-MRXNPFEDSA-N	353.447	3.302	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(OC)c1O	11334630	KYVZTWRRFXHBML-VOTSOKGWSA-N	369.417	3.142	30	40	FGEB	
COc1cc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC#N	3479565	IRBBANUKNDWCDH-ONNFQVAWSA-N	350.374	3.452	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)Oc2cccc(C#N)c2)s1	63234778	GDWFMOSMHOMQIC-LLVKDONJSA-N	350.421	3.041	30	40	FGEB	
COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(OC)cc2)cc1	4863195	ZXYWNWRWQRBQMK-YOPNLDQXSA-N	369.446	3.169	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc(F)c2)cc1	19138314	PRORNODJXXZFHF-ACJLOTCBSA-N	369.392	3.093	30	40	FGEB	
C#CCNC(=O)c1ccc(NCc2cccnc2OCc2ccccc2)nc1	72281392	RKBQNVCLELBQNH-UHFFFAOYSA-N	372.428	3.031	30	40	FGEB	
CC(=O)c1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)c1	95350662	APOIODCXRWPNFB-UHFFFAOYSA-N	373.839	3.328	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O	409140148	DZRTXXQAOFRVMI-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
NS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1	14181553	KQLCARXGJODCDQ-XCVCLJGOSA-N	371.336	3.129	30	40	FGEB	
COc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C#N)c3)n2)cc1	3413019	DHIIBASRVZBHBZ-UHFFFAOYSA-N	365.418	3.083	30	40	FGEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CCC(=O)O1	35635714	RJTDWMKVQUPGSY-CWNVBEKCSA-N	356.462	3.341	30	40	FGEB	
CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(CC#N)cc2)cc1	24258876	ZRUXWLBVXOCFPO-UHFFFAOYSA-N	364.449	3.332	30	40	FGEB	
CN(C)/C=N/C(=O)[C@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl	4051843	ZGVSQFYIRSIIAT-GUTLRLRMSA-N	370.762	3.397	30	40	FGEB	
Cc1ccc(Nc2oc(/C=C3\SC(=S)N(C)C3=O)nc2C#N)cc1	5896340	MQXBZDIIDWDAIG-GHXNOFRVSA-N	356.432	3.429	30	40	FGEB	
CN1C(=O)S/C(=C\c2cc(Br)ccc2OCC#N)C1=O	408812315	OMNGWUABNQSZIJ-XFFZJAGNSA-N	353.197	3.018	30	40	FGEB	
CC(=O)c1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1	409359375	OBDZIZKSNQVYOQ-UHFFFAOYSA-N	373.368	3.447	30	40	FGEB	
CCc1ncsc1N=C(O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C	328932560	PFAKIAFTQLWQBU-WBMJQRKESA-N	373.482	3.169	30	40	FGEB	
OCC(=NNc1ccccc1)c1cccc(/C(CO)=N\Nc2ccccc2)c1	245240671	RHNWEHNPPNHOKZ-ZVQFLJIASA-N	374.444	3.304	30	40	FGEB	
CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	5512684	BVKKKBOBBRRSPT-UHFFFAOYSA-N	351.406	3.058	30	40	FGEB	
COc1ccc(-c2nnc(Cn3c(C#N)nc4ccccc43)o2)cc1OC	12371380	VSWNPVJQVMMYQF-UHFFFAOYSA-N	361.361	3.023	30	40	FGEB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N\Nc1nccs1	13756341	MOBJDRUJCHWWGA-UYRXBGFRSA-N	368.447	3.457	30	40	FGEB	
Cc1nc2c(C#N)cnn2c(O)c1CC(=O)Nc1ccccc1C(C)(C)C	40114675	BDSOLHFVLXFSIZ-UHFFFAOYSA-N	363.421	3.094	30	40	FGEB	
N#Cc1ccccc1-c1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1	22416995	SPYGYTNPNLLZHR-UHFFFAOYSA-N	353.385	3.016	30	40	FGEB	
CCCC(=O)C1=C(N2CCOCC2)C[C@@H](C[C@H](C)SCC)CC1=O	1256599	CKFDZLWOOSMCEN-LSDHHAIUSA-N	353.528	3.453	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	56207189	XAIOAQYPYHCPNR-HUUCEWRRSA-N	369.440	3.419	30	40	FGEB	
CCOCCCNc1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])s1	12995321	NWDACLQLNDNBLY-UHFFFAOYSA-N	365.440	3.308	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1	17968156	CJYIFCYCGUJIAI-ZDUSSCGKSA-N	368.462	3.087	30	40	FGEB	
N#Cc1ncn(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1	14144084	XFTCXIFACNIPHC-INIZCTEOSA-N	361.430	3.030	30	40	FGEB	
C=CCc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(OCC)c1OC	409329597	GOOAIMIQKADFAA-FPLPWBNLSA-N	373.365	3.102	30	40	FGEB	
FC(F)(F)c1ccc(C#CCNCc2ccc(-n3cncn3)cc2)cc1	537500810	UEBNUMBEEKJNMO-UHFFFAOYSA-N	356.351	3.427	30	40	FGEB	
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(F)cc1	224918169	OAKDLRJWUORVAL-UHFFFAOYSA-N	363.410	3.302	30	40	FGEB	
C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1	222918923	CCRBWYVOBURHCG-KRWDZBQOSA-N	368.452	3.478	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(OC)c3)n2)c1	33327392	QRPPWRLNXUEAFR-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
N#CCn1c(CSc2ncnc3sccc23)nc2ccccc2c1=O	3358374	AJPZDLXQRDVDLO-UHFFFAOYSA-N	365.443	3.217	30	40	FGEB	
N#Cc1ccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1	58054631	HNDWIQIAPNYFCZ-UHFFFAOYSA-N	363.421	3.376	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(O)n[nH]c1N2	18195638	VHOVOLASDZEAAY-LBPRGKRZSA-N	360.211	3.442	30	40	FGEB	
N#Cc1ccc(CN2CCCN(C(=O)CCc3cccc(F)c3)CC2)cc1	96837220	YRZMEORKNFNWLJ-UHFFFAOYSA-N	365.452	3.364	30	40	FGEB	
N#CC1(NC(=O)CN2CCCCC[C@H]2C[C@H](O)c2ccccc2)CCCC1	75107795	YCPJHXYMDISINB-PMACEKPBSA-N	369.509	3.307	30	40	FGEB	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN(C)c1ccc(C#N)cn1	49978701	MXYIZCGSACDVLA-MRXNPFEDSA-N	352.438	3.121	30	40	FGEB	
C=CCN1C[C@@H]2CN(Cc3ccc(F)cc3)CCC[C@]2(C(=O)OCC)C1	96055976	XRQVNFIELMUOLE-RXVVDRJESA-N	360.473	3.089	30	40	FGEB	
COc1cccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC	17003745	WXYSMXYJGTUADD-LICLKQGHSA-N	360.326	3.356	30	40	FGEB	
N#Cc1ccc(N2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)nc1	1888870206	BDIVGHNVJVQZRB-UHFFFAOYSA-N	360.465	3.215	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccc(F)cc1)O3	4452359	ZAHTUSMPCRFEFD-OHQAAIJDSA-N	350.353	3.335	30	40	FGEB	
COc1ccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1O	12321623	WWAWJRWKRWVIPU-OAHLLOKOSA-N	356.382	3.006	30	40	FGEB	
CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)Cc1ccccc1	32829935	CRBIWYJUPYBROQ-KRWDZBQOSA-N	353.426	3.226	30	40	FGEB	
Cc1ccccc1/C=N/NS(=O)(=O)c1ccc(Br)cc1	2736798	YIZSWKHHNJBARG-MHWRWJLKSA-N	353.241	3.070	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1	20062742	UHJHOTVOPZTAFM-UHFFFAOYSA-N	360.435	3.265	30	40	FGEB	
CCOc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1	23995262	JDTLVXXXONQNPR-UHFFFAOYSA-N	350.422	3.207	30	40	FGEB	
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc([N+](=O)[O-])cc1C#N	5637520	QHZHCVFTJAUSEY-UHFFFAOYSA-N	374.784	3.203	30	40	FGEB	
N#Cc1ccccc1CSc1ccc(S(=O)(=O)N2CCCCC2)cn1	6831914	CEFBQGKXTIWSJN-UHFFFAOYSA-N	373.503	3.420	30	40	FGEB	
COc1ccc(-n2nnnc2S[C@H](C#N)Cc2ccc(C)cc2)cc1	9723285	DWYYNLIKUFILEY-KRWDZBQOSA-N	351.435	3.206	30	40	FGEB	
CC(C)n1cc(C2=CCCN(C(=O)NCc3ccc(C#N)s3)CC2)nn1	564200464	FPRXEFWGQRNUHS-UHFFFAOYSA-N	370.482	3.181	30	40	FGEB	
COc1ccccc1N1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	66091545	MVNZVVVCBUYJBQ-KRWDZBQOSA-N	368.345	3.092	30	40	FGEB	
C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	224819749	HTXCECYYENAXQD-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
CCc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1	256049114	YFJDMPAVQQJDCC-UHFFFAOYSA-N	358.449	3.028	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c1	3283868	DQYYMEVHMXZOFK-RMKNXTFCSA-N	372.327	3.355	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=S	14183159	GMHYSEBMJZODHQ-XFXZXTDPSA-N	351.449	3.100	30	40	FGEB	
C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1	205780673	GLKMMDZPHKDXCG-XNTDXEJSSA-N	361.419	3.239	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1CC(=O)O	13214998	RLMQKWHQGOLSCD-VQHVLOKHSA-N	362.385	3.404	30	40	FGEB	
COc1cc2c(cc1OC)[C@H]1[C@H](C)/C(=N\O)C3=C(CCCC3=O)N1CC2	103630113	LQDVQQMFGZMWTR-JYJCFGGJSA-N	356.422	3.090	30	40	FGEB	biogenic
N#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)c1	2622545	MMYMRSUTFNHBBY-IBGZPJMESA-N	371.396	3.357	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](CC(=O)O)S/C2=N\N=C\c2ccc(C)o2)cc1	59475405	YBVBAIUCXMIOAK-ZUDFPBEBSA-N	371.418	3.210	30	40	FGEB	
Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)s1	107786412	FIQACGQTWPIYBQ-VQIMIIECSA-N	354.479	3.169	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1	8763038	BCXSVFDWHPSWLR-HOTGVXAUSA-N	374.448	3.159	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(O)cc1[N+](=O)[O-]	14094822	YUOYPHMJLLTTDP-KRWDZBQOSA-N	355.350	3.062	30	40	FGEB	
COc1ccc(Cl)cc1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1	8269528	CSRUISRWCLXIMB-LBPRGKRZSA-N	364.810	3.147	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1Cl	408917986	DUMRVWQAWKQNCV-OBPPPDSMSA-N	361.228	3.380	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/NS(=O)(=O)c1ccc(C)cc1	408816811	WRPFVJKMQUPQAW-WOJGMQOQSA-N	352.843	3.360	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)cc1	408741080	NTDJXFSIRIEJOR-LEBHLANCSA-N	357.822	3.106	30	40	FGEB	
COc1ccc(CN/N=C(\C)c2ccc(N3CCOCC3)cc2)cc1OC	216057829	XQFAOFNJJMXUGP-XQNSMLJCSA-N	369.465	3.054	30	40	FGEB	
Cc1ccc(S(=O)(=O)OCC2(CSc3cnn(C)c3)CCC2)cc1	256055236	ZVSXYKWXDOLRSI-UHFFFAOYSA-N	366.508	3.396	30	40	FGEB	
C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	57158010	FZIMFTSYLSKCFD-UHFFFAOYSA-N	364.511	3.208	30	40	FGEB	
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@H]21	20111585	MXGIYHZVIKLRKE-KAGYGMCKSA-N	355.478	3.420	30	40	FGEB	
C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)Nc1cccc(C#N)c1	11028444	VQOLLIUDRGTMLF-NSHDSACASA-N	360.772	3.464	30	40	FGEB	
N#Cc1ccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)cc1	2514722	HFTYBRGEPJPIET-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O	12901948	PICHFGBUUBLUPV-CYBMUJFWSA-N	364.401	3.126	30	40	FGEB	
Cc1sc2ncn(CCC(=O)Nc3sccc3C#N)c(=O)c2c1C	12923333	KFRJNUKUWWGSIF-UHFFFAOYSA-N	358.448	3.037	30	40	FGEB	
COc1ccc2c(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)c[nH]c2c1	5531241	FRXRQYAZBWFIMH-UFFVCSGVSA-N	357.377	3.442	30	40	FGEB	
CCO[C@@H]1C[C@H](N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C12CCCC2	95996347	KHYGHRMVIVAKKL-VVLHAWIVSA-N	363.502	3.073	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1	218388897	CKXJBNJNUOWCRQ-OKZBNKHCSA-N	361.850	3.436	30	40	FGEB	
COc1cccc(-n2cc(NC(=O)c3ccc(C#N)c(Cl)c3)nn2)c1	1525982146	QPARKDOHGXSBIC-UHFFFAOYSA-N	353.769	3.053	30	40	FGEB	
CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OC	40139514	KXBRSOWVJYVHIU-YCRREMRBSA-N	359.809	3.370	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1[C@@H]2c1ccccc1	245238937	CRAJHTZPJNQQPO-RKLQWGNPSA-N	357.523	3.311	30	40	FGEB	
CC1(C)C2=C(O)C(=O)C3=C(C(=O)C[C@@]4(C)C(=O)CC[C@]34C)[C@@]2(C)CC[C@@H]1O	263597491	GVIAMIGKWDQCSW-TYVQGBEVSA-N	372.461	3.213	30	40	FGEB	
CC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1	5927225	YGDCNVFPXMKYCC-INIZCTEOSA-N	369.446	3.415	30	40	FGEB	
CCCC[C@@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	3871836	PGGUOGKHUUUWAF-ZWKOTPCHSA-N	362.470	3.201	30	40	FGEB	
Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C#N)N2C=Cc4ccccc4[C@@H]32)c1	20479890	ZVGKWEKTPTUDPT-ANULTFPQSA-N	369.424	3.342	30	40	FGEB	
CC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(C)=O)n2cnnc2S1	4518328	FDAWPOUIDCWELP-UHFFFAOYSA-N	356.451	3.124	30	40	FGEB	
CC(=O)c1cc(C#N)c(SCc2cccc(C(=O)N(C)C)c2)nc1C	58210043	SOZAXAONOUZJRZ-UHFFFAOYSA-N	353.447	3.458	30	40	FGEB	
CCOC(=O)[C@H](C#N)[C@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2	2370042	AHMSOQXNLRNHGP-VQIMIIECSA-N	353.374	3.259	30	40	FGEB	
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O	12780477	ZRQFNNCZCLUXCO-GOSISDBHSA-N	357.772	3.318	30	40	FGEB	
Cc1cc(S[C@H](C)C(=O)NC2CC2)n2c(nc3ccccc32)c1C#N	4269732	HGTYYVAMMHMACK-GFCCVEGCSA-N	350.447	3.427	30	40	FGEB	
COc1ccc(NS(=O)(=O)/N=C(\O)c2c(C)n(C)c3ccccc23)cc1	6719392	PDTHUNMFBYJYHO-UHFFFAOYSA-N	373.434	3.157	30	40	FGEB	
CCCCCCCCNc1nc(Cl)nc(NCCN2CCOCC2)n1	38141500	WDKCHOIBRDAFKU-UHFFFAOYSA-N	370.929	3.042	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	218106041	FJBZOHUXLUKREY-UFYCRDLUSA-N	371.458	3.100	30	40	FGEB	
C#CCOC(=O)c1ccc2oc(-c3cncc(Br)c3)nc2c1	73634098	KWDKNTQARLDXER-UHFFFAOYSA-N	357.163	3.442	30	40	FGEB	
CC1=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)C(C)=CC1=O	5232199	RZZCWQKOAAZMOP-DTQAZKPQSA-N	354.225	3.054	30	40	FGEB	
CC[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	100975043	ZJALZBDGUMIJME-ZDBRSUKYSA-N	366.508	3.418	30	40	FGEB	
CCOc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCCCO3)cc1	21322348	UXVSMZWSEYHNQX-FYJGNVAPSA-N	370.405	3.236	30	40	FGEB	
Cc1cc(C)c(NC(=O)CCCS(=O)(=O)CCCCC#N)c(C)c1	69950315	QFBWCMYLVUCPIB-UHFFFAOYSA-N	350.484	3.439	30	40	FGEB	
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O	3251767	QJQPWMOWYLGPDT-UHFFFAOYSA-N	350.761	3.299	30	40	FGEB	
CC[C@H](C)/N=C(/N)NCc1ccc(Oc2c(OC)cccc2OC)nc1	58185210	FUAMOSLTWFELTB-ZDUSSCGKSA-N	358.442	3.094	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)Nc3ccc(F)cc3)c3n2CCC3)cc1	13779304	WOHHTSHETLHDGN-UHFFFAOYSA-O	366.416	3.175	30	40	FGEB	
CCOC(=O)c1cc(OCc2ccc(C#N)cc2)cc(C(=O)OCC)c1	5348124	CBVXZNUNFGUGLR-UHFFFAOYSA-N	353.374	3.491	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc(-c3ccccc3F)o2)CCCCC1	7192673	VZSKHZGKMVJLJF-UHFFFAOYSA-N	360.414	3.310	30	40	FGEB	
CCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	7868186	DZAIPFYKWOGXIU-SNVBAGLBSA-N	361.496	3.087	30	40	FGEB	
CCCN1CCC[C@@H]1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2	95455062	PQAXAURCCPOYAP-QGZVFWFLSA-N	350.484	3.085	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1C/C(O)=N/c1nc([C@H]2CCCO2)n[nH]1	95477453	LIROIBKAYWZONX-MRXNPFEDSA-N	366.425	3.289	30	40	FGEB	
O=C1C(=Cc2ccc(OCC(=O)N3CCCC3)cc2)C(=O)c2ccccc21	408574863	FDMOTQZEFODIGC-UHFFFAOYSA-N	361.397	3.150	30	40	FGEB	
O=C(O)c1ccc(N/N=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)cc1	13408147	OXDYFUIBXXCJRL-RGVLZGJSSA-N	370.308	3.229	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1ccc(Cl)cc1	3433417	FYWOCBNRZRDGQB-CYBMUJFWSA-N	370.840	3.109	30	40	FGEB	
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	6295788	NAOAMULBFOWCEA-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
N#Cc1ccc(CNc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1	55880397	KVPGMAFFRAIKHN-UHFFFAOYSA-N	355.825	3.296	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccccc1)N(C)C	8775989	ZFRBMUJBESETIT-SFHVURJKSA-N	362.433	3.283	30	40	FGEB	
O=C(O)c1cc2ccccc2c([C@H]2Nc3ccccc3C(=O)N2O)c1O	6235062	DWKPGTOJWJKDOZ-KRWDZBQOSA-N	350.330	3.199	30	40	FGEB	
C=CCN(C(=O)COc1ccccc1C#N)c1nc2c(s1)CCCC2	6649234	MKABXMHBEVECHL-UHFFFAOYSA-N	353.447	3.492	30	40	FGEB	
Cc1cc(C(=O)OCC(=O)NC2(C#N)CCCCC2)c2ccccc2n1	4766460	NUVSZCJPBXYFJK-UHFFFAOYSA-N	351.406	3.043	30	40	FGEB	
Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1	6767372	HNJMHHSHSZKOKK-OAHLLOKOSA-N	358.401	3.290	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1	7606803	JTACAOMQWDQZTF-NRFANRHFSA-N	368.408	3.490	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N\OCC(=O)Nc2ccccc2)cc1OC	409369524	CKDOKALETKOMPK-MTJSOVHGSA-N	372.808	3.350	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3ccsc3)C[C@@H]2c2nccs2)C1=O	306132207	LBQBSXUCINBZNW-CRAIPNDOSA-N	359.520	3.209	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C	331503579	HRMBRRNGHNBCIO-IBGZPJMESA-N	368.458	3.144	30	40	FGEB	
Cc1ccc([N+](=O)[O-])cc1/N=C(\c1ccc([N+](=O)[O-])cc1)N1CCOCC1	32603411	KIBSYETYJSDQNG-VHEBQXMUSA-N	370.365	3.222	30	40	FGEB	
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2ccccc2c(Cl)n1	102063785	CORJXBCURKHLEZ-CYBMUJFWSA-N	350.765	3.244	30	40	FGEB	
CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)N(C)c2ccccc2)n1	32899296	GJKJQGYNOJHJDE-CYBMUJFWSA-N	369.446	3.274	30	40	FGEB	
COc1ccc(NC(=O)[C@@H]2CCCN2CCOc2cccc(C#N)c2)cc1	52715675	AFSVWACRRCJRSI-FQEVSTJZSA-N	365.433	3.049	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(F)cc1	2503488	CGEXCQHUNYQWKX-MRXNPFEDSA-N	360.410	3.205	30	40	FGEB	
CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(-c2nnnn2CC)c1	96004338	BQLQKGZUNJKYDK-MRXNPFEDSA-N	358.446	3.270	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1	409146588	UFDCDUWCXDCIJY-JOWZSANQSA-N	372.424	3.407	30	40	FGEB	
Cc1cc(C)c(C#N)c(N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n1	588831680	FYLUVPKEDLBNHI-HOTGVXAUSA-N	373.501	3.384	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc2cccnc12	6240755	RDXRWFXZZJITRU-HJGVYBFFSA-N	374.425	3.001	30	40	FGEB	
N#CC1(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)CCCC1	5534838	HBWVDEIXZRPFDS-UHFFFAOYSA-N	355.221	3.032	30	40	FGEB	
N#CC1(C(=O)N2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)CCCC1	1565545459	GBKMQOAKFFWARY-OAQYLSRUSA-N	351.450	3.116	30	40	FGEB	
Cc1cccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)c1	20503483	GTQRITVKASDCSA-MOSHPQCFSA-N	364.445	3.064	30	40	FGEB	
Cc1ccsc1/C=C1\Oc2c(ccc(O)c2CN2CCN(C)CC2)C1=O	20533341	YNXIBXOQTCMEHJ-BOPFTXTBSA-N	370.474	3.126	30	40	FGEB	
C[C@H](CC(=O)OCc1cn2ccccc2c1C#N)NC(=O)c1ccccc1	32898898	OTTFOECKDIGAMF-OAHLLOKOSA-N	361.401	3.063	30	40	FGEB	
CCCC(=O)Nc1ccc(C(=O)OC/C(=N/O)c2ccc(OC)cc2)cc1	102519891	MVBHSANJWBEPPE-PYCFMQQDSA-N	370.405	3.469	30	40	FGEB	
C=CCn1c(SCC(N)=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2	3382656	MSUWACRSCDKGFN-LLVKDONJSA-N	362.524	3.285	30	40	FGEB	
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc(F)cc1F	36723783	KOJASYRDSIFKIB-UHFFFAOYSA-N	360.408	3.283	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2nccs2)C1=O	306135318	ONMYQPDHZVGKMW-PXNSSMCTSA-N	371.481	3.286	30	40	FGEB	
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12	5048319	OITUCHBJLHBKMP-PBFVBANWSA-N	352.434	3.354	30	40	FGEB	
C=CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2	4436259	BVIGFKMJZYWLSY-MRXNPFEDSA-N	354.435	3.284	30	40	FGEB	
CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	78899986	TYEXUBIXHZBEGT-UHFFFAOYSA-N	374.422	3.398	30	40	FGEB	
C#CCOC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	85346855	LMIZPODKNYWUOH-UHFFFAOYSA-N	350.124	3.407	30	40	FGEB	
COc1ccc(C/N=C/c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1	96316590	QGNZLAQWIUJUGF-UDWIEESQSA-N	366.377	3.010	30	40	FGEB	
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCC#Cc1ccccc1	55317292	SABXOWGBSNAOMU-UHFFFAOYSA-N	355.821	3.212	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3cccc(Cl)c32)cc1OC	46084732	RRTBRKKIGRTAMQ-SILNSSARSA-N	360.797	3.472	30	40	FGEB	
C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccccc1	32827364	RWXOOLXMOFFRRS-UHFFFAOYSA-N	374.462	3.287	30	40	FGEB	
COc1ccc(CCNC(=O)c2ccccc2SCC#N)cc1OC	21703457	LJRADRKOGPHQJT-UHFFFAOYSA-N	356.447	3.292	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1	20457602	PYBZJXFNRSLJDF-CQSZACIVSA-N	354.406	3.017	30	40	FGEB	
Cc1nc(NC(=O)c2cncc(Br)c2)sc1SCC#N	44789178	XSDZPEJXAMRPNX-UHFFFAOYSA-N	369.269	3.477	30	40	FGEB	
C/C=C/C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1	8539058	HOQFQJNGWCNJRV-SNAWJCMRSA-N	369.396	3.222	30	40	FGEB	
CCC(=O)/N=C(/NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1	18209657	BIFUCXSTYMMGCR-UHFFFAOYSA-N	364.453	3.112	30	40	FGEB	
CC(C)CN/C(=N\S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl	15986388	QMDPADVJWPRWCK-UHFFFAOYSA-N	357.690	3.390	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2	9483805	HBTMUKJDSLVJGB-XIKOKIGWSA-N	350.353	3.426	30	40	FGEB	
C=C(Br)Cn1cnc2c(F)cc(Br)cc2c1=O	79072947	LZPGJUYZLDGAPU-UHFFFAOYSA-N	361.996	3.207	30	40	FGEB	
Cc1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)c([N+](=O)[O-])c1	409212807	RBKRAPFDUYGSTO-APSNUPSMSA-N	361.404	3.357	30	40	FGEB	
Cn1nc2c(c1CNC(=O)N[C@@H]1CCCc3cc(C#N)ccc31)CCCC2	563539343	WFVMOPHQMSEFBU-GOSISDBHSA-N	363.465	3.047	30	40	FGEB	
N#CCSc1nc2cc(F)ccc2c2nc(=O)c(-c3ccccc3)nn12	95946460	UEEGVBMEUDKUKW-UHFFFAOYSA-N	363.377	3.059	30	40	FGEB	
Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ccc1B1OC(C)(C)C(C)(C)O1	203572292	VPNDSRZJSAJKEN-KRWDZBQOSA-N	369.274	3.252	30	40	FGEB	
COc1cc(C#N)cc(I)c1OCc1cccnc1	226321598	PHMCQCQTXGLCDH-UHFFFAOYSA-N	366.158	3.145	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1	1426957	KXQUQPBMDPVKFW-HNNXBMFYSA-N	372.465	3.140	30	40	FGEB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2C#N)C1	4280344	JLHHGBZSIGGCKS-UHFFFAOYSA-N	355.419	3.387	30	40	FGEB	
C=CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2ccccc21	100874271	UGLMYWFLZHHDDY-VXPUYCOJSA-N	352.415	3.401	30	40	FGEB	
COc1cc2c(cc1OC)[C@@H]1[C@@H](C)/C(=N\O)C3=C(CCCC3=O)N1CC2	103873488	LQDVQQMFGZMWTR-VWSPMGKWSA-N	356.422	3.090	30	40	FGEB	biogenic
COc1ccccc1-c1cc2n(c(=N)c1C#N)CCc1cc3c(cc1-2)OCO3	100777662	DQHAOTFIYMFHCA-UHFFFAOYSA-N	371.396	3.467	30	40	FGEB	biogenic
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccnc2)no1	102674128	CFFQVUCOLJYBJB-HVESIFNPSA-N	361.357	3.004	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	8554503	UILGRZFCGKKMCU-UHFFFAOYSA-N	359.769	3.416	30	40	FGEB	
C=CCN(Cc1ccccc1OC)S(=O)(=O)c1ccc([C@H](C)O)cc1	24763876	QCTIOHSBAQQDIH-HNNXBMFYSA-N	361.463	3.125	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2C1=O	12798609	QFDKDDYDUIBQKC-UHFFFAOYSA-N	364.405	3.033	30	40	FGEB	
CCc1cccc(CC)c1NC(=O)CSc1nc(CC)c(C#N)c(=O)[nH]1	5238940	HACCVXWOPCMHKG-UHFFFAOYSA-N	370.478	3.060	30	40	FGEB	
CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(F)cc3)C(=O)NC2=S)cc1	4739281	FJGQTXJYIMVCLN-XYHOIZSOSA-N	369.421	3.155	30	40	FGEB	
COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O	5961502	CXJIPGORXHHPMD-XACIZNRCSA-N	354.358	3.252	30	40	FGEB	biogenic
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1cn2ccccc2c1C#N	84409580	ZRDMFODAKNWAIB-QGZVFWFLSA-N	371.437	3.403	30	40	FGEB	
C=CCN(CC=C)S(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2CC	71195946	NQHQVXWSNXFRFE-UHFFFAOYSA-N	362.495	3.002	30	40	FGEB	
Cc1ccc(COc2ccc(/C=C/C(=O)ON3C(=O)CCC3=O)cc2)cc1	97940156	NVXIUURAJYRTMD-MDWZMJQESA-N	365.385	3.194	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	583910207	IRZZYLMMULHENA-KYJSFNMBSA-N	363.889	3.199	30	40	FGEB	
C=CCCCC(=O)N[C@@]12CCC[C@@H]1N(c1ncnc3scnc13)CC2	1775991370	LBDWJOCCOURKAC-SCLBCKFNSA-N	357.483	3.060	30	40	FGEB	
Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/O)cc1	15225729	JEVNJEGHGJNUDZ-CXUHLZMHSA-N	370.224	3.333	30	40	FGEB	
C=C(C)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O	4997941	YLMMWOMRKKHJRF-UHFFFAOYSA-N	357.479	3.077	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1	24832270	OXAWOWBINLXXMO-UHFFFAOYSA-N	369.424	3.310	30	40	FGEB	
C[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1	58177834	GSHZMCOBWPTIMN-LBPRGKRZSA-N	366.352	3.004	30	40	FGEB	
Cc1cc(C)c(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)c(C)c1	17073118	OTGNZLOSLQSINE-GIJQJNRQSA-N	352.843	3.283	30	40	FGEB	
CN(CC(=O)N(C)C1(C#N)CCCCC1)C/C(O)=N/c1cccc(F)c1	82087958	RPMDPCWLHLARKZ-UHFFFAOYSA-N	360.433	3.030	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1	6657568	IKZQGBIZGCXKKM-UHFFFAOYSA-N	368.780	3.197	30	40	FGEB	
COc1ccc(/C=C\C(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1	31870593	OUMJUOPWDZWILS-FLIBITNWSA-N	368.477	3.420	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218043778	KHUFKDXTQUJARO-BJLQDIEVSA-N	369.442	3.008	30	40	FGEB	
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n2)cc1	8937587	SQWMKDMGXUZUMZ-XIKOKIGWSA-N	373.482	3.015	30	40	FGEB	
O=C1Nc2c(F)cc(F)cc2/C1=N/Nc1ccc(Br)cc1	223750673	RRALMMMKHSFBON-UHFFFAOYSA-N	352.138	3.496	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(c3nc4cnccc4s3)C2)c1	1776007975	PTMKZFHCCOLYKG-CQSZACIVSA-N	351.435	3.253	30	40	FGEB	
C/C=C\[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O	299888618	QNQBPPQLRODXET-TWHWOJBDSA-N	373.493	3.021	30	40	FGEB	
C#CCCC1(CCC(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)N=N1	1616030930	HWTNTAARJMVRHM-CQSZACIVSA-N	351.765	3.077	30	40	FGEB	
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	5120321	GICAOJTUXIXEIU-UHFFFAOYSA-N	374.462	3.031	30	40	FGEB	
COc1cc(CNc2ncccc2OCCCC#N)cc(OC)c1OC	97094796	KEWBDQQGPCMXAK-UHFFFAOYSA-N	357.410	3.402	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)c2cccc3ccc(C)nc23)cc1	95461490	WUOVDZJOSSCCLT-UHFFFAOYSA-N	356.403	3.245	30	40	FGEB	
CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	218093650	OSDRMGRTSKWCQG-SLFFLAALSA-N	371.458	3.181	30	40	FGEB	
N#Cc1cccnc1SCC(=O)NCc1cccc(Br)c1	71326958	BVWROXQQWYLQOS-UHFFFAOYSA-N	362.252	3.124	30	40	FGEB	
O[C@@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@H]2c1ccc(Cl)cc1	5254696	AMIQPHHTWZOBRV-SLFFLAALSA-N	367.836	3.276	30	40	FGEB	
Cc1cc(O)c(/C=N/c2ccc(I)cc2)c(=O)o1	13041562	NKHMYFXUYNPIGG-VIZOYTHASA-N	355.131	3.009	30	40	FGEB	
CCC/C(NCCc1ccccc1)=C1\C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	100745609	ZHXAREUKELDLIZ-BBDWDQMGSA-N	371.477	3.230	30	40	FGEB	biogenic
CCNC(=S)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	6954118	HMQTVMGUYDHTOH-QGMBQPNBSA-N	351.815	3.116	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)s1	10389887	SMRXUTBYSIARLF-SNVBAGLBSA-N	351.453	3.231	30	40	FGEB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(/N=C/N3CCCC3)cc2)cc1	104198814	IMTUAGQCVTYFKC-QGOAFFKASA-N	359.407	3.183	30	40	FGEB	
CCOC(=O)Cn1cc(/C=N/NCc2ccccc2OC)c2ccccc21	20762092	IPAKIGSYFSOPCL-YDZHTSKRSA-N	365.433	3.337	30	40	FGEB	
Cc1ccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1	21005793	YGNSSHYVMLTHPO-HZPDHXFCSA-N	371.400	3.046	30	40	FGEB	
CC1=NOC(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	59502725	QOMAGJQHBAIRPC-BOPFTXTBSA-N	357.387	3.079	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@H](C)O[C@H](C)C1	13133158	JCHMFMSWRWHRFI-XQGKDQECSA-N	374.268	3.391	30	40	FGEB	
Cn1c(C2=C(N)N(c3cccc(C(F)(F)F)c3)CC2=O)nc2ccccc21	5214018	LXYWWPGZTBAECO-UHFFFAOYSA-N	372.350	3.309	30	40	FGEB	
CN(C(=O)CSc1nnc(C2CC2)n1C1CC1)C1(C#N)CCCCC1	7905064	QXNKENKZSVDICB-UHFFFAOYSA-N	359.499	3.267	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(O)cc2)no1	9329364	XFLFRKMCFBVGSA-INIZCTEOSA-N	366.329	3.065	30	40	FGEB	
C=C(Br)CN1C[C@@H](C)N(CC(=C)Br)[C@H](C)C1	97164334	DQGOOPJXHFJPCA-VXGBXAGGSA-N	352.114	3.198	30	40	FGEB	
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCNC2=O	596970744	GFZGYVMZXOTDQO-VQTJNVASSA-N	374.444	3.276	30	40	FGEB	
C=CCNCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O	12186530	HZMRUGVFCTVHKW-UHFFFAOYSA-N	354.429	3.426	30	40	FGEB	
Cc1ccc(C(=O)/C(=C\N(C)C)c2nnnn2-c2ccc(Cl)cc2)cc1	12368356	ZIDQYESEYZQCBJ-SFQUDFHCSA-N	367.840	3.410	30	40	FGEB	
COc1ccc(O)c(C=NCC(C)CN=Cc2cc(OC)ccc2O)c1	2033695179	WOIXKQMPNSNVGG-UHFFFAOYSA-N	356.422	3.289	30	40	FGEB	
CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	104378389	DKMSCVCZHILAAK-NAMSLIHLSA-N	360.413	3.380	30	40	FGEB	
O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1-c1ccc(/C=N/O)o1	59416965	BWIYZPQBLQGAPU-WLRTZDKTSA-N	356.088	3.334	30	40	FGEB	
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C#N)cc1OC	863603	SYJFTPIWPDZSHU-CSKARUKUSA-N	367.430	3.102	30	40	FGEB	
O=C(Nc1cccc(Cl)c1)C(=NO)C(=O)Nc1cccc(Cl)c1	1410196	BDXMUBMOHOFVMQ-UHFFFAOYSA-N	352.177	3.401	30	40	FGEB	
CCOc1ccc(/C=C/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1	48598708	BUGXSUGGPZHHRY-DHZHZOJOSA-N	356.403	3.316	30	40	FGEB	
CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(OCc3ccccc3)c2)C(=O)O1	3543739	VVWDQWLFEQMIIM-ZJVMWOEPSA-N	362.381	3.494	30	40	FGEB	
CCCCCOc1ccc(Br)cc1/C(C)=N/NC1=NCCN1	4696911	GORYSNULXHXGCZ-UDWIEESQSA-N	367.291	3.291	30	40	FGEB	
C=CCn1cnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C	6607018	PCTVPJFDEXEQNB-OAHLLOKOSA-N	360.483	3.036	30	40	FGEB	
COc1ccccc1/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1	6602831	VXEIOZYCPNKWIM-INIZCTEOSA-N	369.446	3.252	30	40	FGEB	
CSc1ccccc1/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	4738539	MTIZODBSSWKCIC-RNDVCUHJSA-N	371.393	3.149	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)CCO3)cc1C	66887557	GLBZDLREMHDYKR-XBXARRHUSA-N	373.430	3.297	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc(F)c(F)cc2Cl)n1	7985671	RINGITQVSXLMRX-SECBINFHSA-N	370.764	3.416	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1	95426747	ORFBLBLWJVCSOM-BQYQJAHWSA-N	353.385	3.150	30	40	FGEB	
N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCCC3)Cc3cccn3C2)nc1	306127086	FOEXVXVNFMYXBT-LJQANCHMSA-N	362.433	3.045	30	40	FGEB	
C=CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OC	409082749	QXUFOZMNVVCJEH-VBKFSLOCSA-N	356.422	3.485	30	40	FGEB	
N#Cc1cc2c(N)c(C(=O)N[C@@H]3CCCc4ccccc43)sc2nc1N	32932320	PZIVVPRONIKNDT-CQSZACIVSA-N	363.446	3.140	30	40	FGEB	
CC(C)N(CC#CCNC(=O)c1ccc(Br)cc1)C(C)C	75164461	ZLUPRMZPHZKBAT-UHFFFAOYSA-N	351.288	3.301	30	40	FGEB	
O=S(=O)(/N=C(O)/C=C/c1ccccc1)c1ccc2c(c1)OCCCO2	42338881	VJOVPZUXMDXXLQ-JXMROGBWSA-N	359.403	3.207	30	40	FGEB	
N#Cc1c2c([nH]c(=Nc3cnn(CC(F)(F)F)c3)c1C#N)CCCCCC2	619482038	KMAYKMWACAVHRV-UHFFFAOYSA-N	374.370	3.408	30	40	FGEB	
CC1(C)OB([C@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)OC1(C)C	1776007438	CNQCGGJMLRUUCA-INIZCTEOSA-N	367.258	3.181	30	40	FGEB	
C=CCn1c(S[C@@H](C(=O)O)c2ccccc2)nnc1-c1cccnc1	16789448	OUCKVEMDMCHVRZ-OAHLLOKOSA-N	352.419	3.444	30	40	FGEB	
C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)cc2)nc1C	2693418	PFQFKLOZCJBDPF-JXMROGBWSA-N	358.419	3.455	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@@H](C)C(=O)C=C[C@@]1(C)O	958317929	BIGBTKXKWUHWLH-VMLCALGTSA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(F)ccc3o2)s1	21351868	RMHQXGUQIAGTIY-UHFFFAOYSA-N	363.395	3.314	30	40	FGEB	
C/C(O)=C1\C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	102624413	LWGMKCLVPABAJJ-AAGJOFLKSA-N	356.309	3.223	30	40	FGEB	
O=C(CC/C(O)=N/S(=O)(=O)c1cccnc1)c1ccc2c(c1)CCCC2	42321505	RBEXUFGPJYZNGC-UHFFFAOYSA-N	372.446	3.269	30	40	FGEB	
Cc1ccccc1CN1C[C@H](c2noc(-c3ccc(C#N)cc3)n2)CC1=O	44214033	XCSPVULJHUZJRO-GOSISDBHSA-N	358.401	3.433	30	40	FGEB	
N#Cc1cc2c(nc1SCCCn1c(=O)[nH]c3ccccc31)CCC2	8783265	KVJOTCVSGXTGLC-UHFFFAOYSA-N	350.447	3.267	30	40	FGEB	
CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2	6001746	XHEPFUAZVJARFX-CQSZACIVSA-N	369.446	3.152	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccc1C	4816377	FMVNDZYZELGACT-UHFFFAOYSA-N	372.479	3.022	30	40	FGEB	
COc1cccc2cc(C(=O)Nc3ccccc3F)/c(=N/OC(C)=O)oc12	67350809	VPDAOIPCUOUEIE-QOCHGBHMSA-N	370.336	3.212	30	40	FGEB	
COc1ccc(/C=N/N=C2/C[C@@H](c3ccccc3)Cc3n[nH]c(=O)cc32)cc1	17299622	AXLLPXUFZZJCLN-RIULDGICSA-N	372.428	3.332	30	40	FGEB	
CN1CCN(CC#C[C@@]2(C)CC[C@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1	22456041	SVAGWPUEXZOYPV-WPYKKVEZSA-N	368.521	3.335	30	40	FGEB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)c1	216776635	NPLOZWGIDBGWBS-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(c3cc(C(F)(F)F)ncn3)C2)c1	1776001841	OCAAUEVRZVNXEF-CYBMUJFWSA-N	363.343	3.057	30	40	FGEB	
CCCCCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1	14866636	GSIMMGSSFCTYFX-UHFFFAOYSA-N	365.499	3.456	30	40	FGEB	
N#Cc1cc(N2CC(Cn3cc(Br)cn3)C2)nc2ccccc12	1889175202	WVJBEVUJEGFOMF-UHFFFAOYSA-N	368.238	3.202	30	40	FGEB	
C=CCN1CCCC12CCN(C(=O)c1cn3cc(Cl)ccc3n1)CC2	2055819410	IIGPCCHIZAJCHP-UHFFFAOYSA-N	358.873	3.244	30	40	FGEB	
CCc1c(C)sc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)c1C#N	2601665	YSNKCEWJBNXTPA-UHFFFAOYSA-N	361.427	3.323	30	40	FGEB	
Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc3c(c2)OCO3)c1C#N	2741348	PJUPHQCTGGIREX-UHFFFAOYSA-N	372.402	3.474	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)OCCO3)c(C)c1	46930110	RLFXNPJKAOGGGA-VMPITWQZSA-N	373.430	3.433	30	40	FGEB	
CO/N=C(\CS(=O)(=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1	5527002	DABANPLIKWMFPM-HTXNQAPBSA-N	367.854	3.314	30	40	FGEB	
N#Cc1ccc(CSCC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1	95983013	OVQIAHABKCAKIS-OALUTQOASA-N	370.449	3.265	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2F)n1	75516661	YXAHSEWWLJLYDE-UHFFFAOYSA-N	364.380	3.180	30	40	FGEB	
COc1cc(/C=N\N=C(/S)NCc2ccccc2)ccc1OCC#N	33348807	SUUOLUJIIWXWFO-BKUYFWCQSA-N	354.435	3.007	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	224812437	OKXSERSHJMVDJK-UHFFFAOYSA-N	369.389	3.363	30	40	FGEB	
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc(F)c(F)c1	32923294	VTQHXDFKDCOZIT-NSHDSACASA-N	355.300	3.480	30	40	FGEB	
COc1ccc2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100201311	RYZNRFOSCDAQJF-FRLANAMESA-N	372.424	3.235	30	40	FGEB	
CN(CC(=O)OCc1ccc(-c2ccccc2C#N)cc1)c1ncccn1	23199670	DGJIFLNNFMWHFF-UHFFFAOYSA-N	358.401	3.195	30	40	FGEB	
Cc1cc(NCCN2C[C@H](C)O[C@H](C)C2)n2c(nc3ccccc32)c1C#N	12558891	ZBNIPVCCCAVTQI-IYBDPMFKSA-N	363.465	3.189	30	40	FGEB	
C=C(Br)CN1C[C@H](C)N(CC(=C)Br)[C@H](C)C1	97164332	DQGOOPJXHFJPCA-TXEJJXNPSA-N	352.114	3.198	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)N1C	408930575	YYUOBCGFTAKBMJ-HENYTUMCSA-N	373.390	3.395	30	40	FGEB	
CCNC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	18210106	HJIKCSYJZQXXOB-PGMHBOJBSA-N	372.881	3.075	30	40	FGEB	
COc1ccc(OC)c(C2=NN/C(=N\c3ccccc3[N+](=O)[O-])SC2)c1	9322679	MBRUWTXHZAXPKN-UHFFFAOYSA-N	372.406	3.340	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2	22608315	GHOHWLMGXIHTGN-DIFFPNOSSA-N	369.494	3.334	30	40	FGEB	
Cc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@H](C)CC1=O)N2	22608123	BJCFJWMOTDPJDU-PWJLMRLQSA-N	373.800	3.416	30	40	FGEB	
CCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\OC(C)=O)cc1	67350830	YPHISVQHMXWOLU-XDOYNYLZSA-N	366.373	3.463	30	40	FGEB	
C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](C)c1ccccc1	217476013	MUCYITOAWZWZGJ-CYBMUJFWSA-N	360.435	3.022	30	40	FGEB	
C=CCNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)O	217585322	KQCGYAVDNPUJGQ-UHFFFAOYSA-N	364.467	3.152	30	40	FGEB	
CSc1nc(N2CCN(c3ccc(C#N)nc3)CC2)cc(C(C)(C)C)n1	1888869575	AWCNANBWMBZFAM-UHFFFAOYSA-N	368.510	3.089	30	40	FGEB	
COC(=O)CSc1nc2c(c(-c3ccc(OC)cc3)c1C#N)CCC2	2354297	DVHZOHXQTSUMHA-UHFFFAOYSA-N	354.431	3.383	30	40	FGEB	
CC(=O)C1=C(c2ccc(C(C)C)cc2)N(C(C)=O)n2c(C)nnc2S1	4518219	SNIPAIJTXNNCSV-UHFFFAOYSA-N	356.451	3.258	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1cccc([N+](=O)[O-])c1	18195594	MKAXAEUNVKJYFT-CYBMUJFWSA-N	354.366	3.224	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)c2csc(CC(C)C)n2)cc1	64100103	ZRUHRNDBEHPUHS-UHFFFAOYSA-N	354.453	3.044	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	6238899	UCGCPJFKMKABOK-SFHVURJKSA-N	351.402	3.301	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2ccsc2)CC1	14158421	ODQKYCFFRRTJNM-YMRVXXMPSA-N	355.438	3.309	30	40	FGEB	
Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)cc1	4835646	BGNYTGJZOLXFKO-QGZVFWFLSA-N	373.507	3.491	30	40	FGEB	
COCCCNC(=O)/C(=C/c1ccc(C#N)cc1)c1nc2ccccc2[nH]1	7503038	QCEYQJBBVQRBKT-GHRIWEEISA-N	360.417	3.128	30	40	FGEB	
C[C@@H](OC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)NCC1CCCCC1	9798774	FDZBUTSPVFHKNW-ONOODXEBSA-N	370.449	3.230	30	40	FGEB	
CCNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	75108488	VJXFMNBNXQTSDR-UHFFFAOYSA-N	360.395	3.008	30	40	FGEB	
C=C(CC)C[C@H]1C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	32068388	DDETXFVRKGDIDT-LHSJRXKWSA-N	352.434	3.297	30	40	FGEB	
Cc1nnc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C#N)c1C	591173782	VHBSJAFWXUQTIK-AWEZNQCLSA-N	354.376	3.151	30	40	FGEB	
CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1	55568035	HVMCSBGEYXUIOV-UHFFFAOYSA-N	358.419	3.025	30	40	FGEB	
N#Cc1ccc(OC(=O)CCNC(=O)c2ccc(Br)cc2)cc1	14468874	TUZIFOREFYSCBZ-UHFFFAOYSA-N	373.206	3.046	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3CCN(c4ccc(C(F)(F)F)nc4)[C@H]3C2)nc1	1889108912	AANJQCPJZZDOSM-ZFWWWQNUSA-N	359.355	3.082	30	40	FGEB	
O=C(CCNC(=O)C(F)(F)F)N1Cc2ccccc2C#Cc2ccccc21	1142770325	BYCUCVDRKFDHPK-UHFFFAOYSA-N	372.346	3.002	30	40	FGEB	
Cc1cccnc1NC(=O)[C@H]1CCCN(c2snc(Cl)c2C#N)C1	52468949	JIRMSZGEOQSBJK-NSHDSACASA-N	361.858	3.227	30	40	FGEB	
CN(CC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)c1ccco1	32907496	MCYAICMVKJXHRQ-UHFFFAOYSA-N	358.397	3.390	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)CN1C(=C)c2ccccc2C1=O	55891571	JRJINNIZLTYYRP-UHFFFAOYSA-N	362.429	3.337	30	40	FGEB	
COc1cccc(/C=C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1	58151217	VDNFNNFESPWWDN-SOFGYWHQSA-N	366.826	3.243	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc(OC)c(OC)c1	2254832	HLEQAPQRMROJSR-VUQQOUJSSA-N	368.524	3.481	30	40	FGEB	
Cc1cccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)c1	4838381	PTHACRSJXAPDQB-KRWDZBQOSA-N	373.507	3.491	30	40	FGEB	
COCCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O	8229873	GLYWZHSSFDISCJ-UHFFFAOYSA-N	351.431	3.207	30	40	FGEB	
Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1	409205674	DXBYHXZJGXYCDO-FMIVXFBMSA-N	357.369	3.281	30	40	FGEB	
CN(CC#C[Si](C)(C)C)Cc1ccc2c(c1Br)OCO2	196077518	JNMPBVVWGYMXAC-UHFFFAOYSA-N	354.320	3.490	30	40	FGEB	
O=S(=O)(CCc1ccccc1)N/N=C/c1c(O)ccc2ccccc12	1058176	OGUOTZOPCDDBSJ-XSFVSMFZSA-N	354.431	3.041	30	40	FGEB	
COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccccc1)N(C)CC3)OCO2	12660681	FBWKJYJCSSZORR-NOEYKIMYSA-N	354.406	3.222	30	40	FGEB	
N#Cc1cnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)c(Cl)c1	2298187884	QKXFPDYQLBFADH-ZDUSSCGKSA-N	368.815	3.081	30	40	FGEB	
CCN(C[C@H](C)C#N)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	40119504	WJOONUHNGOPKQG-CQSZACIVSA-N	361.873	3.200	30	40	FGEB	
C=C(C)COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1	12296633	XVDXRWDERXMXBL-UHFFFAOYSA-N	350.374	3.378	30	40	FGEB	biogenic
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1	100925182	AMFVLUWXGBRYTC-WLNMLXKZSA-N	356.447	3.206	30	40	FGEB	
C[C@@H](OC(=O)CSc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1	12552311	NTNRQQNPKLCLBE-CYBMUJFWSA-N	364.442	3.192	30	40	FGEB	
COc1ccc(OCC(=O)N(CCC#N)c2ccccc2F)c([N+](=O)[O-])c1	5195903	FHDCQJIAOXTWSA-UHFFFAOYSA-N	373.340	3.068	30	40	FGEB	
N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(NC2CC2)s1	8749765	CNDRPIMZPHQHPE-UHFFFAOYSA-N	371.447	3.461	30	40	FGEB	
N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)C2=O)cc1	84383870	FHNKKGLVCJHKNV-QRVBRYPASA-N	364.376	3.150	30	40	FGEB	
C=CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1C1CC1	9883559	FASOEELCKWEXHA-LLVKDONJSA-N	353.451	3.431	30	40	FGEB	
Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)n1	96216197	MMWPXIATABLSHK-HSZRJFAPSA-N	374.488	3.390	30	40	FGEB	
CN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)S/C1=N\c1ccccc1	13151551	HORRHAYTGMQHEF-BSBNDGSWSA-N	359.495	3.335	30	40	FGEB	
C/C(=N\NC(=S)N1CCN(C2CCCCCC2)CC1)c1ccccn1	16942068	ZGAVNXQAROBPJG-LTGZKZEYSA-N	359.543	3.021	30	40	FGEB	
Cc1nc(N=C2NCN([C@@H]3CCC[C@H](C)[C@H]3C)CN2)nc2ccccc12	19332585	HSZAZYDQEZJAEE-PMUMKWKESA-N	352.486	3.160	30	40	FGEB	
COc1ccc(N2C(=O)CC[C@H](C(=O)OCC#N)[C@H]2c2ccccc2)cc1	21513478	PGDQFYRJEOZIQD-AZUAARDMSA-N	364.401	3.246	30	40	FGEB	
C=CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1	10326419	BAWAPPAWRSYTMF-HNNXBMFYSA-N	370.474	3.051	30	40	FGEB	
CS(=O)(=O)c1cccc(C(=O)Nc2cccc(OCCCC#N)c2)c1	55568202	AHMBTTSDZHOPQO-UHFFFAOYSA-N	358.419	3.025	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1	3232734	YVCXKGSKFAOZAA-UHFFFAOYSA-N	370.233	3.049	30	40	FGEB	
Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)C#N)nnc12	5968475	AYHVQIVUWLKTHL-ZDUSSCGKSA-N	361.430	3.346	30	40	FGEB	
Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1	408593301	PGKNAJDXOAYZET-DEDYPNTBSA-N	355.394	3.291	30	40	FGEB	
C=CCc1cc(/C=N/O)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1	409070648	DIVODQIXIAPFHA-XDHOZWIPSA-N	361.419	3.308	30	40	FGEB	
CC1(C)C2=C(O)C(=O)C3=C(C(=O)C[C@]4(C)C(=O)CC[C@@]34C)[C@@]2(C)CC[C@@H]1O	263597493	GVIAMIGKWDQCSW-WJIJELJDSA-N	372.461	3.213	30	40	FGEB	
Cn1cnc(CN2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1	585295418	YVOHALSSWXTOTD-IBGZPJMESA-N	359.437	3.162	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)O)ccc3C2=O)c(OC)c1	11866284	LPTIRTCZGPDKLY-JSKDENIMSA-N	370.357	3.172	30	40	FGEB	biogenic
COc1ccc(-c2nc(NCCc3nc(C)cs3)nc(O)c2C#N)cc1	40130063	MJDSPEKZTWLJHQ-UHFFFAOYSA-N	367.434	3.149	30	40	FGEB	
CC1=CC(=O)/C(=C(/C)Nc2ccn(Cc3ccc(Cl)cc3)n2)C(=O)O1	102448298	UECGYRGYTNUXIZ-SFQUDFHCSA-N	357.797	3.300	30	40	FGEB	
COC(=O)c1cccc2c1CCCN2CCC(=O)Nc1sccc1C#N	53053563	GZVBVXSWMMOHIQ-UHFFFAOYSA-N	369.446	3.188	30	40	FGEB	
COc1cccc(-n2ccnc2SCC(=O)NC2(C#N)CCCCC2)c1	23050706	XEBGHUVJGHLPIZ-UHFFFAOYSA-N	370.478	3.316	30	40	FGEB	
COc1cc(C#N)cc(Cl)c1OC(=O)CCc1ccc2c(c1)OCO2	24697760	DPKRPZZSHJTTDI-UHFFFAOYSA-N	359.765	3.487	30	40	FGEB	
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1	3217073	CIKIIGMOJIDJLH-UHFFFAOYSA-N	351.406	3.200	30	40	FGEB	
Cc1ccn2cc(CNC(=O)c3c(C)oc(-n4cccc4)c3C#N)nc2c1	58417229	VSGSZTNURWGZFQ-UHFFFAOYSA-N	359.389	3.137	30	40	FGEB	
C/C(=N\OC(=O)c1ccccc1I)c1ccncc1	12362702	VVUIJBNFTKZSPY-LICLKQGHSA-N	366.158	3.267	30	40	FGEB	
COC(=O)c1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1	23075003	XNNIWEVPMRXORK-UHFFFAOYSA-N	357.797	3.357	30	40	FGEB	
CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2cccc(C#N)c2)n1	58163711	MPKMWKYMZZGKND-UHFFFAOYSA-N	358.398	3.280	30	40	FGEB	
C=CCn1c(C)nnc1S[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O	12820751	LXDVXVYRLGCHEM-LBPRGKRZSA-N	370.478	3.045	30	40	FGEB	
COc1ccc(/C(CCC(=O)O)=N/Nc2ncnc3ccccc23)cc1	12810413	DRRYXHSRUPRFEN-CJLVFECKSA-N	350.378	3.319	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2C1=O	6231945	HVEQUQCJAJJVRR-LJQANCHMSA-N	360.413	3.276	30	40	FGEB	
C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1	65453447	JEYHGJAJEZPOTI-ZDUSSCGKSA-N	364.434	3.166	30	40	FGEB	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@H]3CCC[C@H]3C#N)cc2)CC1	96004120	FGRMQWUBWBCEQK-WMZOPIPTSA-N	354.454	3.372	30	40	FGEB	
C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O	223540356	CHIXHXTWDSSSMF-HXUWFJFHSA-N	352.434	3.087	30	40	FGEB	
C/C(=N\OCC(=O)Nc1cccc2c1ccn2C)c1ccc2c(c1)OCO2	584906638	ORVWJXFOCHPPPA-LPYMAVHISA-N	365.389	3.286	30	40	FGEB	
CS(=O)(=O)N(Cc1ccc(Br)cc1)c1cccc(C#N)c1	23616989	XXUQZMSWEAIVIW-UHFFFAOYSA-N	365.252	3.287	30	40	FGEB	
Cc1ccc2c(c1)/C(=N\N/C(=N\c1ccccc1)c1ccccn1)C(=O)N2C	14922982	WHUGJRSVUWCARV-LKUDQCMESA-N	369.428	3.439	30	40	FGEB	
COc1cc2c(cc1OC)[C@H]1CC(=O)C3=C(CC(C)(C)CC3=O)N1CC2	6394270	OFQHASLXQFCFNN-CQSZACIVSA-N	355.434	3.219	30	40	FGEB	biogenic
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C/C=C/c2ccccc2)CC1	22877750	NLHRBNZDPQJHQH-ZAOIQFLMSA-N	374.488	3.216	30	40	FGEB	
COCc1cc(C)nc(Sc2nc(C)cc(COC)c2C#N)c1C#N	59383388	ZEAJEKJYRLDKEC-UHFFFAOYSA-N	354.435	3.281	30	40	FGEB	
N#Cc1cn(CC(=O)NCc2ccco2)c2ccc(Br)cc12	18190716	KIQGUFYZSINPFL-UHFFFAOYSA-N	358.195	3.185	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2ccccc2)CC1	8776494	VUOQGZMCEBPCTD-UHFFFAOYSA-N	361.445	3.112	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O	409123135	FFMGTWCERPIYMF-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
C=CCn1c(SCC)nc2ccc(I)cc2c1=O	2339540	YRCLNJZQFCKFAK-UHFFFAOYSA-N	372.231	3.299	30	40	FGEB	
Cc1nc2ccccc2nc1COC(=O)c1ccc(NC(=O)CC#N)cc1	39591163	IVKMHEZZZFYVKN-UHFFFAOYSA-N	360.373	3.147	30	40	FGEB	
N#Cc1c(Cl)nsc1N1CCC(NC(=O)C2CCCCC2)CC1	65945987	TXAFYGGRCHGVFR-UHFFFAOYSA-N	352.891	3.333	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4Cl)c(O)nc3c2c1	8742597	WXKKBSNXVWIFGD-AWQFTUOYSA-N	368.780	3.128	30	40	FGEB	
O=C1COc2ccc(C(=O)/C=C/c3cc([N+](=O)[O-])ccc3Cl)cc2N1	18917847	LAMNWJWITTURMD-ORCRQEGFSA-N	358.737	3.475	30	40	FGEB	
COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)cc(OC)c1O	4919895	CSJIUQZXVRTSOD-QGMBQPNBSA-N	350.758	3.207	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C[C@@H]2CCCO2)CC3)cc1	585100050	DFRQGHSIMPPCGF-RBBKRZOGSA-N	367.493	3.198	30	40	FGEB	
COc1cc(/C=N/N=c2\cc(C)[nH]c3ccccc23)cc(OC)c1OC	5006938	MMDRJXPEOAWMAA-CIAFOILYSA-N	351.406	3.437	30	40	FGEB	
O=C(C[n+]1cccc(/C=N/O)c1)N(Cc1ccccc1)Cc1ccccc1	100478282	OINOSRIWMNFNIN-OEAKJJBVSA-O	360.437	3.011	30	40	FGEB	
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1	4983049	LFWRPQXOJCGZBE-UHFFFAOYSA-N	370.748	3.477	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O	104423946	GDYKIPWWXDATPK-YIKKKJQHSA-N	369.527	3.129	30	40	FGEB	
C[C@](C#N)(NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1	55855403	UDUUNULCAXVUDE-LEWJYISDSA-N	351.425	3.313	30	40	FGEB	
CCc1nc2ccccc2c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1C	3535466	WQSSAOGCVDIWBR-NRFANRHFSA-N	367.449	3.317	30	40	FGEB	
O=c1c2[nH]c3ccc(Cl)cc3c2nc(O)n1/N=C/c1ccc(F)cc1	9013402	ROXXRTAIAKGMHL-DNTJNYDQSA-N	356.744	3.258	30	40	FGEB	
C=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	95964338	FWDQCFVQZJPUDC-NSHDSACASA-N	363.266	3.200	30	40	FGEB	
C=CCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	409360675	QZVWHLJCSMSYDP-UHFFFAOYSA-N	358.463	3.031	30	40	FGEB	
C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	408810525	TURHFQQHHKYIQI-GHRIWEEISA-N	362.385	3.226	30	40	FGEB	
Cc1cc(N2CCCC2)c(C)cc1C=Nn1c(O)nc2ccccc2c1=O	409341603	DWLKCJROOSRPOS-UHFFFAOYSA-N	362.433	3.201	30	40	FGEB	
COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-]	409043690	ZBTLVWSCKPERMG-IPKBDRFQSA-N	363.189	3.317	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(c3ncnc4ccsc34)C2)c1	1776007995	QYTJTQMLDDOLJG-AWEZNQCLSA-N	351.435	3.253	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)c1cc(-c2ccccc2)on1	90610391	DIEXMOQSADEPEJ-UHFFFAOYSA-N	362.385	3.162	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc([N+](=O)[O-])c1O	35335153	QXGCTTOOPFHTMO-VOTSOKGWSA-N	367.313	3.312	30	40	FGEB	
COc1ccccc1NC(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1	1775972884	ZZPOTYYIDDMPIG-MRXNPFEDSA-N	366.421	3.285	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1	7945934	WTVZQBXWDKEYGE-HMMYKYKNSA-N	357.479	3.298	30	40	FGEB	
COC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OC	10119042	PDAQFKIBCFNRRP-SRZZPIQSSA-N	362.813	3.024	30	40	FGEB	
CC1=CC(=O)/C(=C\NC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1	104305302	HVBDOSGURLLIDF-RMKNXTFCSA-N	357.218	3.193	30	40	FGEB	
CCCCCCCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OC	109768071	TXEIKXCXKRTMEF-UHFFFAOYSA-N	374.437	3.184	30	40	FGEB	
O=C1Nc2cccc(Br)c2C1=NNCc1cc(F)ccc1F	44008274	PKGQQBHWTNAFEK-UHFFFAOYSA-N	366.165	3.173	30	40	FGEB	
C=C1[C@@H](C(=O)Nc2cccc(OC)c2)[C@H]1C(=O)Nc1cccc(OC)c1	13139132	PWLSUBJULIMGGO-HDICACEKSA-N	352.390	3.083	30	40	FGEB	
CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)cc1	14188028	RBFDNAJVMIHLRK-SFHVURJKSA-N	356.447	3.483	30	40	FGEB	
CN(Cc1cccc(C#N)c1)C(=O)CCCNc1ccc([N+](=O)[O-])cc1	25102584	VLJOMUBWICHBER-UHFFFAOYSA-N	352.394	3.317	30	40	FGEB	
CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1O	6677825	FBZFROAFASYWAC-MRXNPFEDSA-N	372.450	3.126	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1ccc(F)cc1	82051249	JHLRTSHNUXYPOF-HBDZGWBTSA-N	373.468	3.442	30	40	FGEB	biogenic
N#CCCSc1ccccc1NC(=O)CCNC(=O)c1ccccc1	95953555	BNTVWZMDJQCLNO-UHFFFAOYSA-N	353.447	3.451	30	40	FGEB	
C=CCOc1c(Br)cc(/C=C2\SC(=N)NC2=O)cc1OC	408883575	VQTVUSMPARPBFT-XFFZJAGNSA-N	369.240	3.161	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)Cc2ccc(Cl)cc2)s1	225851954	DCLKINPVTNIDKY-UHFFFAOYSA-N	361.901	3.412	30	40	FGEB	
Cc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1C	256047136	KQSSZWIWEYVRLL-UHFFFAOYSA-N	372.476	3.078	30	40	FGEB	
CN(C)Cc1ccc(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)cc1	1776007681	TVYSTYSMSHCEKJ-QGZVFWFLSA-N	358.291	3.057	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2)c(OC)c1	18126459	QGRLXFFKZSHHON-GOSISDBHSA-N	353.374	3.193	30	40	FGEB	
CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1	6398320	DYQXUNAETUVFJG-LLVKDONJSA-N	360.266	3.320	30	40	FGEB	
Cc1ccc(/N=C2/NC(=O)[C@@H](CC(=O)NCc3ccccc3)S2)cc1C	18077910	YEWQCBSRSZZHQO-QGZVFWFLSA-N	367.474	3.229	30	40	FGEB	
CO/C(=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC	102947355	UHNRHGZAKPZESV-XTCPURHUSA-N	362.476	3.496	30	40	FGEB	
CN(C)c1cc(N/N=C/c2ccccc2C(F)(F)F)nc(N(C)C)n1	4510970	PFHDJRVYRVNQFX-KEBDBYFISA-N	352.364	3.073	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N\c3cccc(Cl)c3)C(=O)NC2=S)cc1	408765742	NPCFXKJDIVJNMG-ANQVYJHKSA-N	371.849	3.415	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	225652598	QPBVBOSGUGRZNH-OKZBNKHCSA-N	361.850	3.090	30	40	FGEB	
CN(C)/C=C(/C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1	13997772	KDMIZALEGULYCL-WUVIJCSQSA-N	359.470	3.200	30	40	FGEB	
Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12	20533385	FMRRVKMKGQZGRP-UHFFFAOYSA-N	357.373	3.261	30	40	FGEB	
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(Cc2ccccc2)c1=O	3251251	AZIQEDLJJNWTGJ-UHFFFAOYSA-N	364.788	3.358	30	40	FGEB	
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1nccs1	11612277	YDCNKMVVWXUWRE-XXADUYMVSA-N	372.475	3.289	30	40	FGEB	
CCCCOc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)cc1	408601552	KMLBTTHGTQLIFD-LPYMAVHISA-N	373.432	3.077	30	40	FGEB	
C/C(=N\N=c1\sc2ccccc2n1C)c1ccc(N2CCOCC2)cc1	13136390	GCJOOHLQGKYJEE-XYKDRVBHSA-N	366.490	3.401	30	40	FGEB	
C=CCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3ccccc3n12	5230715	XQZFVVLPBNFUGB-UHFFFAOYSA-N	364.430	3.320	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(O)c2ccccc12	14095733	JPFVWIGFFXZLBT-UHFFFAOYSA-N	361.401	3.294	30	40	FGEB	
COc1ccc2c(c1)CCC/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	32131522	JHMDQHSWVRNAHE-CZIZESTLSA-N	354.362	3.430	30	40	FGEB	
O=C(/C=C/c1cccc2c1OCO2)c1ccc(N2CCOCC2)c(F)c1	40139766	BPRFLSOJRXIEFX-FNORWQNLSA-N	355.365	3.287	30	40	FGEB	
CCCCc1nc(SCc2cccc(C(=O)OC)c2)nc(N)c1C#N	225893052	IINWXYGKKGHDMP-UHFFFAOYSA-N	356.451	3.352	30	40	FGEB	
N#CCCn1ncc2c(NCC3(c4ccc(F)cc4)CCC3)ncnc21	609325979	WEPLGZLSLLMRDQ-UHFFFAOYSA-N	350.401	3.413	30	40	FGEB	
CCN(CC)CCC[C@@H](C)NCC#CCN[C@H](C)CCCN(CC)CC	5437356	HGKLAWGZOSTYIR-FGZHOGPDSA-N	366.638	3.190	30	40	FGEB	
CCn1c(SC/C(O)=N/C2CCCCC2)nc2c(c1=O)SCC2	9560275	CNOCBEVEJTWHQF-UHFFFAOYSA-N	353.513	3.293	30	40	FGEB	
CC(C)(C)c1cc(C2[C@H](C#N)C(=O)NC(=O)[C@H]2C#N)cc(C(C)(C)C)c1O	1573086	CRFBLOBUNPXQCZ-STQMWFEESA-N	367.449	3.007	30	40	FGEB	
CCCCCC(=O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	100598282	QPXXPLNAYDQELM-XLYCQTBWSA-N	354.487	3.475	30	40	FGEB	
Cc1nc(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)oc1C	58218892	OCXBGBRLPUWVIA-UHFFFAOYSA-N	353.407	3.080	30	40	FGEB	
C=CCn1c(C)c(C=Nn2c(O)nc3ccccc3c2=O)c2ccccc21	409366899	WQWPHSKZUMSBQI-UHFFFAOYSA-N	358.401	3.433	30	40	FGEB	
CCCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1OCC	409350324	XVULLXIUGYXCJB-LICLKQGHSA-N	352.481	3.458	30	40	FGEB	
CCOc1ccc2c(c1)s/c(=N/N=C/c1cccc(OC)c1O)n2C	4703548	FJSQCVDTARAJHZ-DSTXHIGZSA-N	357.435	3.288	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccccc3Cl)C2=O)cc1	408537879	XWARGMAPFGKSCG-ZDUSSCGKSA-N	355.781	3.250	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(OC)c(F)c1	225108161	SCMAZSWSLCAREL-UHFFFAOYSA-N	360.410	3.282	30	40	FGEB	
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc2ncccc2c1	96249953	FSDOJDMOPZEXAH-YSIASYRMSA-N	352.434	3.057	30	40	FGEB	
CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1	40132953	GCDGDFJYWXDUQF-CQSZACIVSA-N	356.447	3.231	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1	3437932	GEWGPEPKYTVRTA-UHFFFAOYSA-N	358.463	3.328	30	40	FGEB	
CCN1CCN(c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)CC1	3038103	FUDWIFPKVKERDD-XSFVSMFZSA-N	354.410	3.193	30	40	FGEB	
COC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N	3268672	RRTLQLMETYGRNS-JTQLQIEISA-N	363.870	3.010	30	40	FGEB	
N#Cc1c(Cl)nsc1N1CCC[C@@H](C(=O)NC2CCCCC2)C1	58366043	AYAKBHMPLUHPLX-LLVKDONJSA-N	352.891	3.333	30	40	FGEB	
CCCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)s1	48504103	SLAUISPBVSIEAX-UHFFFAOYSA-N	363.464	3.359	30	40	FGEB	
CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl	61366440	UGYPKULUDTVPTN-UHFFFAOYSA-N	363.826	3.030	30	40	FGEB	
CCCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])cc(C)c1O	36230607	KOVYNJMRNOGSKH-RGVLZGJSSA-N	366.377	3.153	30	40	FGEB	
COCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc(C)c1C	55250321	UZCSOQDRHBTFNH-UHFFFAOYSA-N	372.494	3.185	30	40	FGEB	
O=C1[C@H](/C=N/OCc2ccc(Cl)cc2Cl)CCN1c1ncccn1	5380380	MXMHGDBPNGSPRY-PQDFQZGZSA-N	365.220	3.339	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1	23715234	AOBURNUBOATVDY-GOSISDBHSA-N	352.394	3.413	30	40	FGEB	
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C/C(O)=N/c1ncn[nH]1	40153904	ABGYBYAKGDRAJC-UHFFFAOYSA-N	364.331	3.457	30	40	FGEB	
CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/CCCOC	100163184	RFCOACKJKTXIJM-XDHOZWIPSA-N	358.467	3.183	30	40	FGEB	
N#CCCN(C(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1	3287550	FJHVCLLFTPOWBC-UHFFFAOYSA-N	361.401	3.010	30	40	FGEB	
N#CC1(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1	58357660	FCJHEFHPQOOUKA-UHFFFAOYSA-N	371.315	3.335	30	40	FGEB	
N#Cc1ccc(CN2CCCN(C(=O)c3cccc4ncccc34)CC2)cc1	12607151	NMLTXVPNVFESDG-UHFFFAOYSA-N	370.456	3.455	30	40	FGEB	
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1nccs1	11612276	YDCNKMVVWXUWRE-HZDTVXMRSA-N	372.475	3.289	30	40	FGEB	
N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCC1	84372813	MDYPIPWGTGUKRA-GFCCVEGCSA-N	365.355	3.011	30	40	FGEB	
CCn1c(N/N=C/c2ccc(OCC(=O)OC)cc2)nc2ccccc21	408692597	QGFLUHIISDWFKA-UDWIEESQSA-N	352.394	3.054	30	40	FGEB	
COc1ccccc1N1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1	66091544	MVNZVVVCBUYJBQ-QGZVFWFLSA-N	368.345	3.092	30	40	FGEB	
CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@H]21	97111852	PPVRBBVBODQZLS-IBGZPJMESA-N	360.417	3.213	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1	6230473	XNUYGVARLFTPJV-SXGWCWSVSA-N	354.387	3.316	30	40	FGEB	
CC(=O)c1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)NC2=O)c1	6503426	KDCGNSVEJFRHJE-MRXNPFEDSA-N	367.430	3.137	30	40	FGEB	
C=CCNC(=O)N1CCC(COc2ccc3nc(C(C)(C)C)cn3n2)CC1	1888869470	YRXDLBUTJYQXAS-UHFFFAOYSA-N	371.485	3.013	30	40	FGEB	
N#CCc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1	7927466	CBTVEQOKRUAXOO-GOSISDBHSA-N	369.490	3.434	30	40	FGEB	
COc1cccc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)c1	21678323	PBKMZYOKTKTTHS-HNNXBMFYSA-N	352.390	3.187	30	40	FGEB	
N#Cc1cccc(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)c1	7921090	ACAXNGPWSVIVNA-OAHLLOKOSA-N	372.471	3.090	30	40	FGEB	
CCc1sc(/C(O)=N/S(=O)(=O)c2ccc(OC)c(OC)c2)cc1C	61111133	YYEOKNYQSLVEPW-UHFFFAOYSA-N	369.464	3.330	30	40	FGEB	
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1	57589419	IWXXNDGCVDRIEG-UHFFFAOYSA-N	357.479	3.296	30	40	FGEB	
CC(=O)NCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1	56036872	OEODCWRMUNIXGR-UHFFFAOYSA-N	357.797	3.469	30	40	FGEB	
COC1CC[C@H]2CC[C@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	101043037	YDOUAVFJRIGNQS-YGFGXBMJSA-N	350.484	3.245	30	40	FGEB	
Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)c1	408529846	DHAQFOBIZIDUDK-CYBMUJFWSA-N	353.353	3.044	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccc(Cl)cc1	408537745	WYLYWXIBWHSZOE-GFCCVEGCSA-N	359.744	3.081	30	40	FGEB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)c1C	7130688	PYZPASLFWVXLIF-HNNXBMFYSA-N	373.453	3.064	30	40	FGEB	
CCN(C[C@@H](C)C#N)S(=O)(=O)N1Cc2ccccc2-c2ccccc2C1	619709146	UFYQOHOPYCCUDC-INIZCTEOSA-N	369.490	3.396	30	40	FGEB	
COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1	5151723	QYCLSAFOIUCWJQ-XDJHFCHBSA-N	356.334	3.119	30	40	FGEB	
COc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1	7276535	NQCHVYOYPZBMCB-GDNBJRDFSA-N	355.375	3.495	30	40	FGEB	
C=C(C)Cn1c(SCc2cc(O)n[nH]2)nc2sc3c(c2c1=O)CCC3	4911324	JFYOSBCWSUJDRB-UHFFFAOYSA-N	374.491	3.244	30	40	FGEB	
C=CCn1c(SCc2cc(O)n[nH]2)nc2sc3c(c2c1=O)CCCC3	4911309	AQWIYQOJXQPFHC-UHFFFAOYSA-N	374.491	3.244	30	40	FGEB	
C=CCN1c2ccc(C(=O)NC(C)C)cc2-c2ccccc2S1(=O)=O	33271868	ZIJUWXYHOKITLM-UHFFFAOYSA-N	356.447	3.187	30	40	FGEB	
CC(C)CCN1C(=O)[C@](O)(CC(=O)c2ccc(C#N)cc2)c2ccccc21	3231206	QFZPAYQBEMCVAB-QFIPXVFZSA-N	362.429	3.412	30	40	FGEB	
C=CCc1cccc(/C=N/n2cnc3c([nH]c4ccc(F)cc43)c2=O)c1O	5151697	YHZGLXAEFYZXTC-AUEPDCJTSA-N	362.364	3.333	30	40	FGEB	
COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2ccccc2)S1	4880613	JVAQIAQIQWNLJX-DVSFIDLUSA-N	369.446	3.285	30	40	FGEB	
CN(/N=C/c1ccc(Cl)cc1Cl)C1=NS(=O)(=O)c2ccccc21	5879112	LFBHXTHXJDTWKB-GIJQJNRQSA-N	368.245	3.408	30	40	FGEB	
N#Cc1cc(Br)ccc1NCc1cccnc1N1CCOCC1	95398713	IMLNRZFZCYFODT-UHFFFAOYSA-N	373.254	3.164	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21	409367987	KZCBMWMIZVROQY-QXSPMSJVSA-N	371.440	3.214	30	40	FGEB	
C[C@H](Sc1nncn1-c1ccccc1F)C(=O)NC1(C#N)CCCCC1	6129323	MFMXPVNOWHZNGG-ZDUSSCGKSA-N	373.457	3.230	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2OC)s1	39989280	NJAFPSMHJIWVDW-SNVBAGLBSA-N	351.453	3.231	30	40	FGEB	
C=CCN1C[C@@H]2CN(C(=O)CC(F)(F)F)CC[C@@]2(c2ccccc2)C1	248144547	DFLHKAJYIUUBFE-AEFFLSMTSA-N	352.400	3.227	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1	14006293	FAKFCMOMMRZOQN-CQSZACIVSA-N	354.406	3.017	30	40	FGEB	
C[C@H](CC#N)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl	50336830	YBJJXLFAKCYJCB-ZCFIWIBFSA-N	372.071	3.336	30	40	FGEB	
CN(Cc1ccccc1Br)S(=O)(=O)c1ccccc1C#N	22456720	FSPRJRKCXOOEBN-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
C=CCNC(=O)/C(=C/c1ccccc1OCC)NC(=O)c1ccccc1	2068881	GUPMGWBKHQMVJV-SDXDJHTJSA-N	350.418	3.158	30	40	FGEB	
C[C@H](/N=C(/S)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2	13688144	JSDXAZIHPHAWBH-CCLIWJKGSA-N	365.587	3.189	30	40	FGEB	
C=CCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1	217475931	MUCYITOAWZWZGJ-ZDUSSCGKSA-N	360.435	3.022	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccc(Cl)cc1	408537746	WYLYWXIBWHSZOE-LBPRGKRZSA-N	359.744	3.081	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	218450214	STTNTPUHXVNITG-GBESFXJTSA-N	359.422	3.230	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1	7790048	ZYVIJIPGBGFLHM-BFUOFWGJSA-N	373.478	3.215	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cccc(Br)c1	14164866	UQHXWTKCBDKFAA-BJOHPYRUSA-N	359.227	3.309	30	40	FGEB	
N#CC1(C(=O)N2CCC3(CCN(Cc4nccs4)C3)CC2)CCCC1	1565551767	RSXGWYOCPZTUCF-UHFFFAOYSA-N	358.511	3.042	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(CC)CC)cc1	40093618	LPMBQKMBWDFCRM-UHFFFAOYSA-N	352.500	3.049	30	40	FGEB	
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCCC#N)nnc23)cc1	8711029	ZXMPSRUZBAAOHE-UHFFFAOYSA-N	361.430	3.348	30	40	FGEB	
COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	100349921	NAGSBXOYHOIUCQ-ZWAQGKOVSA-N	368.433	3.120	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C	3359114	KUIPWLZPIRCHFJ-UHFFFAOYSA-N	355.467	3.320	30	40	FGEB	
CCCNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N	3450648	BYQKVXAKGZQLFV-UHFFFAOYSA-N	354.431	3.392	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1	13208051	ULEPUGQQTUUHDA-GOSISDBHSA-N	351.402	3.220	30	40	FGEB	
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccncc1	409316928	NSNBKIYXOPBQOU-UHFFFAOYSA-N	371.238	3.389	30	40	FGEB	
C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC	409408787	RMRIDKRFWHYQGP-LGMDPLHJSA-N	364.401	3.112	30	40	FGEB	
O=C[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	225643972	HMTZHBTZFZNPHU-HRCADAONSA-N	365.248	3.204	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1	13995734	CGGVOVSVEXGRFD-ZRDIBKRKSA-N	366.417	3.272	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)c1cccc(Br)c1	90610362	OPDVWLJNWGLLIS-UHFFFAOYSA-N	374.234	3.270	30	40	FGEB	
CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccco3)cc2)s1	100005102	MWRDIMVYOGLEBN-MHWRWJLKSA-N	362.436	3.245	30	40	FGEB	
CCCN(CCC)S(=O)(=O)c1c(C)nn(Cc2ccccc2C#N)c1C	54390451	OONSQLHLUFZAOG-UHFFFAOYSA-N	374.510	3.231	30	40	FGEB	
CCOc1ccc(N(CCC#N)C(=O)CN2CCc3sccc3C2)cc1	54670674	NAVXIHLLNSEURS-UHFFFAOYSA-N	369.490	3.452	30	40	FGEB	
C=CCNC(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1	35682629	FUUAPZDXGARNTQ-UHFFFAOYSA-N	356.476	3.456	30	40	FGEB	
COc1cc(SC)ccc1C(=O)OCC(=O)Nc1cccc(C#N)c1	3376578	BWWAJRXMYQYLCV-UHFFFAOYSA-N	356.403	3.084	30	40	FGEB	
C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc4c(c3)OCO4)O[C@]2(OC)CC1=O	4098815	YVRYZXAHRGGELT-MZNUGIIHSA-N	372.417	3.326	30	40	FGEB	biogenic,in-vitro
N#Cc1ccc(OCCCOc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	4181920	XENIIEBWCXHXQS-UHFFFAOYSA-N	368.305	3.094	30	40	FGEB	
COC(=O)c1ccccc1N/C=C(/C(C)=O)C(=O)c1ccc(OC)cc1	4138988	CCWDFROJLWWTJG-ATVHPVEESA-N	353.374	3.250	30	40	FGEB	
COc1cc(/C=N/OCC(=O)N2[C@H](C)CCC[C@H]2C)ccc1OC(F)F	6048722	BINLHKHPIOQVJP-KVTIEPLESA-N	370.396	3.437	30	40	FGEB	
COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(CCCC2=O)N3)cc1	6732469	GRMXMLBMESGKQV-LJQANCHMSA-N	373.416	3.371	30	40	FGEB	
C=CCN(CC=C)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1	7987774	GXXHTTOPLULNCD-UHFFFAOYSA-N	351.402	3.417	30	40	FGEB	
N#C[C@@]1(N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218534624	SNQFDMZDBLOTRL-OWCLPIDISA-N	367.257	3.154	30	40	FGEB	
Cc1nn2c(N/N=C/c3ccc(Cl)cc3)nc3ccccc3c2nc1=O	97105540	UQRBXLMICDYAGH-KEBDBYFISA-N	364.796	3.046	30	40	FGEB	
CCCC(=O)NC[C@H]1CCCN(c2cccc(Br)c2C#N)C1	583413673	OZSIGTYULRZZPE-CYBMUJFWSA-N	364.287	3.453	30	40	FGEB	
N#CCCN(C(=O)COC(=O)COc1cccc(Cl)c1)c1ccccc1	5802329	UEFHETKJFHWNMC-UHFFFAOYSA-N	372.808	3.209	30	40	FGEB	
C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CC(C)C)cc21	9171311	BUBVPGBWFYNUNW-UHFFFAOYSA-N	366.483	3.022	30	40	FGEB	
CN(c1ccccn1)C1CCN(c2ncc(Br)cc2C#N)CC1	1889115680	FZWJVAIQNGRAJP-UHFFFAOYSA-N	372.270	3.216	30	40	FGEB	
Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCCN(C)C)o1	8744141	IHABQANVYBRSRM-IBOXJLQUSA-N	374.462	3.023	30	40	FGEB	
Cc1ccc(/N=C2\S[C@H](CC(=O)NCc3ccccc3)C(=O)N2C)cc1	100261618	FMENKEFAAAOSDG-SLNYWTKHSA-N	367.474	3.263	30	40	FGEB	
CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCOCC1	31120780	IEZSCZZDGGSWJN-OXQOHEQNSA-N	372.513	3.055	30	40	FGEB	
N#C[C@H](C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2o1	41543633	ISEYWBVSPJBBHV-MRXNPFEDSA-N	359.385	3.374	30	40	FGEB	
C=CCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3)cnc21	2353885	LVQDJJIHQIPNCU-UHFFFAOYSA-N	353.385	3.470	30	40	FGEB	
O=C(/C=C/c1ccco1)C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21	2430416	IQDXFJIPIURZCG-CWDCEQMOSA-N	352.173	3.399	30	40	FGEB	
C/C(=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)(C)C	5479878	YHGUWAFWFMUWME-CROSZVBWSA-N	364.446	3.164	30	40	FGEB	
C[C@]1(c2ccccc2Cl)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O	8707177	IMRACZTUZUNGCL-LJQANCHMSA-N	369.808	3.058	30	40	FGEB	
COc1ccc(/C=N/Nc2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	4824246	UXZBRFDIZWONCO-VXLYETTFSA-N	351.366	3.294	30	40	FGEB	
NC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1	408805928	CMYNZENUOMHVNJ-UWVJOHFNSA-N	351.175	3.203	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	218388660	CKXJBNJNUOWCRQ-SQNIBIBYSA-N	361.850	3.436	30	40	FGEB	
CC(=N\N=c1/[nH]c2ccc(C)cc2s1)/C(=N\O)C(=O)Nc1ccccc1	95482094	AUHJILWJFIBQFB-OPTJBZHZSA-N	367.434	3.283	30	40	FGEB	
N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1Cl	12374538	VMSHKFFOADKXBF-GFCCVEGCSA-N	357.772	3.342	30	40	FGEB	
CO/N=C(\C(=S)Oc1nc2ccccc2s1)c1csc(N)n1	16696712	WRTVTCFELAEIEQ-YVLHZVERSA-N	350.450	3.092	30	40	FGEB	
O=C1N/C(=N\N=C/c2ccco2)S[C@@H]1Cc1cccc(C(F)(F)F)c1	19855612	IDKIWPXVDZEQTI-HHGUGQKFSA-N	367.352	3.463	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C#N)[C@@H]3C2=O)cc1	20441536	YNAOQICKJHRKCJ-FUMNGEBKSA-N	355.397	3.034	30	40	FGEB	
CC[N+]1(CC(=O)c2ccc(I)cc2)CCCCC1	1667011	XGUOBSMJFQMSAB-UHFFFAOYSA-N	358.243	3.495	30	40	FGEB	
CC1CCN(C(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)CC1	3136732	WPNFXIBNHMYVMQ-NSHDSACASA-N	373.215	3.440	30	40	FGEB	
CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1	4701623	NWDMPTKKZVOWMY-ZRGSNEMSSA-N	369.373	3.333	30	40	FGEB	
Cc1ccc2cc(C#N)c(SCC(=O)Nc3nonc3C)nc2c1C	4849125	SKBDXLGTMFIQLD-UHFFFAOYSA-N	353.407	3.146	30	40	FGEB	
C[C@@]12C(=O)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@]1(C#N)N[C@]21C#N	104127356	QFPNFPGMFVZJDX-MYDTUXCISA-N	351.409	3.334	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(F)cc1	2503489	CGEXCQHUNYQWKX-INIZCTEOSA-N	360.410	3.205	30	40	FGEB	
O=C(O)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	16956790	NYLBMKGERVQNCX-MRXNPFEDSA-N	371.776	3.003	30	40	FGEB	
C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3c(s2)CC[C@@H](C)C3)c1	63830005	MVGBGSIXCQLSDE-CQSZACIVSA-N	366.486	3.247	30	40	FGEB	
O=C1[C@H](/C=N/OCc2cccc(C(F)(F)F)c2)CCN1c1ncccn1	5344272	BLRUWPCGDIEQHR-YCYNJWQJSA-N	364.327	3.051	30	40	FGEB	
CCc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3)C(=O)NC2=S)cc1	4738569	RWVLXEZYROKOKM-DDLUMYACSA-N	351.431	3.015	30	40	FGEB	
CCNC(=S)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl	8693867	KAOPHCNTJOYWNV-QGMBQPNBSA-N	356.282	3.305	30	40	FGEB	
CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O	9420308	UWGPBXHADUBNRL-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CC)C2=O)cc1Cl	409004523	BKBSQAKLAQWWSJ-WQLSENKSSA-N	355.246	3.083	30	40	FGEB	
CCc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1CC	568961388	MKPNUKQBEVRQLB-UHFFFAOYSA-N	363.465	3.432	30	40	FGEB	
C=CC(=O)O[C@H](C1=CC(=O)c2c(O)ccc(O)c2C1=O)C(C)(C)C=C(C)C	95868146	PKTWFAFZWVRLPK-HXUWFJFHSA-N	370.401	3.493	30	40	FGEB	biogenic
O=C(NC1CCCC1)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1	12132120	BIADKTQPMJKFMT-UHFFFAOYSA-N	356.429	3.340	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc2c(c1)OCO2	12347676	VNNAYEKYMYUPMV-CQSZACIVSA-N	353.378	3.045	30	40	FGEB	
Cc1ccc2nc(N=C3NCN([C@H]4CCCC[C@H]4C)CN3)nc(C)c2c1	19332604	AKQQYSYKXAIBQH-KDOFPFPSSA-N	352.486	3.223	30	40	FGEB	
COc1cc(C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)cc(OC)c1OC	96335773	BFXUMGQCPCMELH-AATRIKPKSA-N	372.373	3.346	30	40	FGEB	
CCCn1ccnc1SCc1c(C(=O)OCC)sc(N)c1C#N	21102972	WTUJUZGABAXYLX-UHFFFAOYSA-N	350.469	3.277	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1	21585886	GTWIUZDTTWDHHH-UHFFFAOYSA-N	360.468	3.394	30	40	FGEB	
N#Cc1c(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)cn2ccccc12	32936559	RQXFRTCGXSYFCJ-PKNBQFBNSA-N	356.385	3.246	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@H]2c1ccc([N+](=O)[O-])cc1	100710835	RBUFIKDCAXIWHP-IUODEOHRSA-N	355.419	3.392	30	40	FGEB	
CCCCCCCCCCN(CCOCCO)C(=O)CCCC(=O)O	100924220	MWTDJSCEMPTGFJ-UHFFFAOYSA-N	359.507	3.220	30	40	FGEB	
CCOc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)cc1	57523440	VMLYAUKTWRZGKU-OAHLLOKOSA-N	354.406	3.423	30	40	FGEB	
COc1cc(OC)c(/C=N/NCc2ccc(OC)c(OC)c2)cc1Cl	20196164	QTIWSDWYGZGCDP-SRZZPIQSSA-N	364.829	3.498	30	40	FGEB	
CC1(C)OC(=O)C(Cc2ccc(C#N)cc2)(Cc2ccc(C#N)cc2)C(=O)O1	3327312	JOBWEAPLXBZPPN-UHFFFAOYSA-N	374.396	3.038	30	40	FGEB	
COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(NC(C)=O)cc1)NCC2	4090546	OIKZAPAAUQILRT-PDGQHHTCSA-N	366.417	3.032	30	40	FGEB	biogenic
CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1	4436055	XJYZNKWIFBJZOM-INIZCTEOSA-N	356.451	3.421	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2ccccc2Cl)c1	4422783	SRMFDGUVGAWRPW-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3ccc(Cl)cc3)C2=O)cc1	8408068	NFDWZYQMRLMDSZ-JLWFYQMASA-N	357.797	3.150	30	40	FGEB	
C[C@H](OC(=O)/C=C/c1ccc(OCC#N)cc1)C(=O)NCC1CCCCC1	9798773	FDZBUTSPVFHKNW-YHVDPYDOSA-N	370.449	3.230	30	40	FGEB	
C=CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O	223540402	CHIXHXTWDSSSMF-FQEVSTJZSA-N	352.434	3.087	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)F	14633245	GIUALTPRAFSXQA-UHFFFAOYSA-N	361.348	3.036	30	40	FGEB	
Cc1c(NC2CCN(C(=O)c3ccoc3)CC2)cc(C#N)cc1[N+](=O)[O-]	40153533	MUQDBUVTFHQMOK-UHFFFAOYSA-N	354.366	3.085	30	40	FGEB	
C=CCn1c(C)cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C	101351960	NEPYAEMDXJVAPW-WZGNDQMWSA-N	371.477	3.348	30	40	FGEB	
CCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OCC	57593930	ZXYKPOIENVISKB-XMHGGMMESA-N	362.451	3.187	30	40	FGEB	
Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3sccc3C#N)C2)cc1	24844637	JTMQRHFYBFYNSF-INIZCTEOSA-N	353.447	3.419	30	40	FGEB	
COc1ccc2c(c1)/C(=N/N=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)N2	77024187	SWYOGCPSVIPTKO-FBCYGCLPSA-N	364.188	3.483	30	40	FGEB	
C=CCN1[C@H](Cc2c[nH]c3ccccc23)[C@H](O)c2ccccc2S1(=O)=O	13690132	MRHIHQSQKKLKOP-UYAOXDASSA-N	368.458	3.003	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccnc2)no1	6276136	VMVIVFPBHRLGBU-INIZCTEOSA-N	365.345	3.062	30	40	FGEB	
CC[C@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	18068217	GYVRYJYJSZOIOT-ZDBRSUKYSA-N	360.460	3.417	30	40	FGEB	
Cc1cc(N)nc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1	95953370	CIYYPGCWKNYGAP-LBPRGKRZSA-N	373.507	3.492	30	40	FGEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1OC	409353697	PSSGBRACIPVESA-UHFFFAOYSA-N	373.796	3.045	30	40	FGEB	
N#Cc1cc2c(cc1-c1cc3c(cc1C(=O)C1CC1)OCCO3)OCCO2	44928780	BGIWWSUUWRNEMA-UHFFFAOYSA-N	363.369	3.360	30	40	FGEB	
O=C(NCC#CCN1CCc2ccccc2C1)c1cc(-c2ccccc2)on1	77197652	DNHJMDAGQFOPAR-UHFFFAOYSA-N	371.440	3.133	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1	242722950	XZIFXFOCGAOULE-IPMKNSEASA-N	359.422	3.312	30	40	FGEB	
Cc1ccc2c(c1)NC(=O)N(Cc1c(C)cc(C#N)cc1C)S2(=O)=O	1641331982	JVONITBRWBWFRO-UHFFFAOYSA-N	355.419	3.220	30	40	FGEB	
CN(C)/C=C(\C(=O)c1ccccc1F)c1nnnn1-c1ccc(Cl)cc1	5719507	YMWPOFXJLNEBNH-RVDMUPIBSA-N	371.803	3.240	30	40	FGEB	
C=CCn1ncc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1C	12187410	AVJAGZDFVRVQON-LJQANCHMSA-N	369.465	3.287	30	40	FGEB	
CCOc1cc(/C=N\n2c(S)nnc2-c2ccc(OC)cc2)ccc1O	1473620	RCMBAIBUVUVDKE-ODLFYWEKSA-N	370.434	3.229	30	40	FGEB	
CC(C)N1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	58210789	RTQJFPWRXMEOQV-MRXNPFEDSA-N	367.449	3.190	30	40	FGEB	
C=CCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12	2290382	HZBIONSECBNBSA-UHFFFAOYSA-N	371.444	3.325	30	40	FGEB	
COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c(OC)c1	13653683	IAQHXWPWUVWINL-NVMNQCDNSA-N	355.390	3.087	30	40	FGEB	
Clc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1	4478002	KDOVRRILEUFTJI-DEDYPNTBSA-N	371.876	3.171	30	40	FGEB	
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cnn(-c2ccccc2)c1	14021975	PEKQOUFXOCKZBE-INIZCTEOSA-N	359.433	3.203	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1OC	15106078	RFMLZHDGOMAYSN-FNORWQNLSA-N	372.373	3.346	30	40	FGEB	
CCc1cnc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)s1	329146909	XKJHFTHUKPZTOR-UHFFFAOYSA-N	353.495	3.178	30	40	FGEB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	225656143	WVGMOKCEXWYOMF-UFYCRDLUSA-N	355.459	3.345	30	40	FGEB	
C[C@@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)C1	225858784	CMVZWFHUCHOFIS-CQSZACIVSA-N	370.884	3.445	30	40	FGEB	
N#Cc1ccnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)c1	278066179	ZHUOKIVGSLTWAO-FHWLQOOXSA-N	374.444	3.365	30	40	FGEB	
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1	12987712	QPORAKWICNUFBW-UHFFFAOYSA-N	370.474	3.304	30	40	FGEB	
Cc1ccc(N/C(S)=N\C2CCCCC2)cc1S(=O)(=O)N(C)C	13683010	PPYHEDHGZOLTTA-UHFFFAOYSA-N	355.529	3.276	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1	5045104	ZETKDZXFDQRECE-KRWDZBQOSA-N	355.390	3.121	30	40	FGEB	
CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)cc1	4436052	XJYZNKWIFBJZOM-MRXNPFEDSA-N	356.451	3.421	30	40	FGEB	
N#CC1(c2ccccc2)CCC2(CC1)NC(N)=Nc1nc3ccccc3n12	6589853	IAHCRXSKWZCFFZ-UHFFFAOYSA-N	356.433	3.274	30	40	FGEB	
C=CCNc1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1	5785138	DMSWMSVIPWTLSW-UHFFFAOYSA-N	354.888	3.198	30	40	FGEB	
Cn1c(N/N=C/c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3	4813808	CZWSWTGTUWPLPT-KEBDBYFISA-N	356.426	3.459	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1	24212825	TXBUZDVLCQDIGC-UHFFFAOYSA-N	370.796	3.082	30	40	FGEB	
CC(=O)OC1CCC(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	43761751	DCFBQXRYZRWTLF-CXUHLZMHSA-N	350.331	3.023	30	40	FGEB	
COc1cc(/C=N/N2CCCCCC2)cc(I)c1O	1631177	WLMNJVKGNSNJKW-MHWRWJLKSA-N	374.222	3.215	30	40	FGEB	
Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2cccc(C#N)c2)c1	3234765	HULPMIHHSKZCRN-UHFFFAOYSA-N	354.431	3.449	30	40	FGEB	
C#CCN(CC(=O)N1CCc2sccc2C1)[C@H]1CCc2ccccc21	52845921	GIBMGROQQNRMLE-IBGZPJMESA-N	350.487	3.256	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S	2566885	LQACTBNZQONZQZ-UKTHLTGXSA-N	351.449	3.100	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1	4785415	BMWBXPPWYQHGKI-NWRYFCBHSA-N	351.453	3.148	30	40	FGEB	
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C)o1	6907952	AKGIVNZIECPGBG-CQSZACIVSA-N	357.435	3.348	30	40	FGEB	
Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccccc1	409359999	OPENHBRVKAMKRZ-UHFFFAOYSA-N	358.401	3.392	30	40	FGEB	
Cc1nnsc1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	557068394	JRZKCDACOHNFFJ-UHFFFAOYSA-N	350.403	3.441	30	40	FGEB	
COc1cc(/C=N\Nc2nc3ccccc3[nH]2)cc(Br)c1O	32664130	JJNQFRKBBCFVRC-IUXPMGMMSA-N	361.199	3.486	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218372805	QLWPPTGRGHFDHC-UFYCRDLUSA-N	355.459	3.481	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1	16931521	RHAJDKVBOLQISQ-FRKPEAEDSA-N	360.717	3.479	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21	101896022	QFXPMNWELUNACY-UNOMPAQXSA-N	351.402	3.430	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(F)c1)c1ccco1	795002	VPGFXBBLAOOTDO-PBHICJAKSA-N	371.364	3.176	30	40	FGEB	
CSc1ncccc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1	21679164	LTNCBYJBTOUCIE-CQSZACIVSA-N	369.446	3.296	30	40	FGEB	
COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccccc1Cl	7891966	KAXKAUFBAAYVNC-ZVBGSRNCSA-N	356.769	3.042	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	102926096	OLLJVTYSLCHABK-GHNGSUTGSA-N	369.392	3.202	30	40	FGEB	
CS(=O)(=O)c1cccc(S(=O)(=O)/N=C(\O)CCC2CCCCC2)c1	54487153	SMFCKXJECWWXIN-UHFFFAOYSA-N	373.496	3.096	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O	3270539	TWWHUSYZYMQRIQ-UHFFFAOYSA-N	361.426	3.429	30	40	FGEB	
Cc1ccsc1CN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	58179992	QBXLHXVHVVGSMS-UHFFFAOYSA-N	365.462	3.184	30	40	FGEB	
Cc1nnc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n1-c1ccccc1	3386054	XCEAENIAFVZJTM-FZKQIMNGSA-N	357.483	3.111	30	40	FGEB	
COc1cc(/C=N/Nc2nncc(-c3ccccc3)n2)cc(OC)c1OC	4476790	GZXYGAGXGXTWCO-RGVLZGJSSA-N	365.393	3.010	30	40	FGEB	
C/C(=N\NC(=S)NC[C@H]1CCCO1)c1ccc(N2CCCCCC2)cc1	5689790	CTSXLQXFVOBFEB-NDWLXSOOSA-N	374.554	3.434	30	40	FGEB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)c(F)c1	16389461	CPBDRLLBDWZCOR-SOFGYWHQSA-N	356.353	3.467	30	40	FGEB	
C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1	48149433	MIPPPQVCMGKNFH-QGZVFWFLSA-N	351.406	3.248	30	40	FGEB	
C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC	97996156	VEOYZEOZMOGPGL-UHFFFAOYSA-N	350.488	3.062	30	40	FGEB	
CCCOC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C	16807599	VRCGMPIGZPNIHQ-UHFFFAOYSA-N	369.870	3.217	30	40	FGEB	
C=CCN1C[C@H](C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1=O	19015181	ZPXCRBBIHGGEAR-XOPFUANDSA-N	352.478	3.110	30	40	FGEB	
C=CCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1	19947473	JLGIHKGJYQBJKC-UHFFFAOYSA-N	372.490	3.109	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC[C@@H](COc3cccc(C)n3)C2)n1	1889111391	KFRYTSNXUNQJOA-CQSZACIVSA-N	355.467	3.069	30	40	FGEB	
CCOC(=O)C1(NC(=O)c2cn(CC#N)c3ccccc23)CCCCC1	53128262	HFSRFXXGSKMCMP-UHFFFAOYSA-N	353.422	3.161	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccco3)ccc2C#N)CC1	22115471	ZVYYGTGFUZNCPB-UHFFFAOYSA-N	354.410	3.270	30	40	FGEB	
N#Cc1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)sc2c1CCCC2	1887469	GDESVVKXGUWWIE-HNNXBMFYSA-N	352.415	3.219	30	40	FGEB	
CC(C)(C)OC(=O)N1CCC[C@@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)C1	48326086	VMLPAWDWRSPDMM-GFCCVEGCSA-N	372.429	3.102	30	40	FGEB	
C=CCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1	22275310	ZJOIUHLGCWAVSU-UHFFFAOYSA-N	372.490	3.109	30	40	FGEB	
COc1ccc2nc(SCC(=O)Nc3ccc(CC#N)cc3)[nH]c2c1	5165322	KDOYTTZICDXXPO-UHFFFAOYSA-N	352.419	3.368	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O	409124348	BGBUMUDEFLEQAM-LFIBNONCSA-N	366.373	3.120	30	40	FGEB	
N#Cc1cnn(-c2ccc(C(=O)OCc3c(F)cccc3Cl)cc2)c1N	52134948	OWMJVDOPTIPBPU-UHFFFAOYSA-N	370.771	3.476	30	40	FGEB	
COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccnc1)CC2	8207841	MAVRGSBNCOAERQ-CPNJWEJPSA-N	361.195	3.360	30	40	FGEB	
C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1Cc1ccncc1F	2298047625	VTNIPBDPGGTTQW-OAHLLOKOSA-N	365.456	3.077	30	40	FGEB	
COc1cc(C[C@@](C#N)(CO)c2nc3ccccc3[nH]2)ccc1OC(F)F	1457661	SETKXOPNXNMGLS-LJQANCHMSA-N	373.359	3.169	30	40	FGEB	
N#Cc1c(NCCCN2CCOCC2)nc(-c2ccco2)c2c1CCCC2	20588508	YEINSMUSRDNVTN-UHFFFAOYSA-N	366.465	3.226	30	40	FGEB	
CC[C@@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	18176724	GYVRYJYJSZOIOT-DVEDPGPFSA-N	360.460	3.417	30	40	FGEB	
N#Cc1ccc(OCC(=O)c2ccc(I)cc2)cc1	12775661	AYTAHDUSGCEITJ-UHFFFAOYSA-N	363.154	3.425	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C)cc2)cc1	5409103	VXVTYLYYFULURX-HNAYVOBHSA-N	365.429	3.263	30	40	FGEB	
CC(C)[C@H](C#N)OC(=O)c1nn(-c2ccccc2F)cc1Br	72280422	GBGAEDXMDBBZKA-ZDUSSCGKSA-N	366.190	3.479	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(OC)c1OC	16408817	RKFPERKYILZGEX-QPJJXVBHSA-N	356.374	3.380	30	40	FGEB	
Cc1c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)nnn1-c1ccccc1	89556368	YPDPVKRISQYSFI-FMIVXFBMSA-N	374.444	3.308	30	40	FGEB	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	224823235	BSBZFQGBKSKLGA-UHFFFAOYSA-N	365.838	3.493	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)[C@H]3[C@H]4c5ccccc5C[C@H]43)CCOCC2)c1	600097735	FKKDXPYURRELBV-QHAWAJNXSA-N	358.441	3.266	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2	684813621	SRDZAUVICUSQQQ-BDXSIMOUSA-N	350.503	3.347	30	40	FGEB	
COCCC/N=C(\S)NCCNc1nc2cc(C)c(C)cc2cc1C#N	13556028	BQPKMIKTDWOKEZ-UHFFFAOYSA-N	371.510	3.047	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCOc3ccccc32)n1	27674125	DTYIFJLFVYZVAM-INIZCTEOSA-N	353.447	3.302	30	40	FGEB	
CSc1ccccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F	4119692	LNVBELXYBUOJSY-ZJNQMXKESA-N	358.385	3.457	30	40	FGEB	
N#CCC[C@@H](C#N)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	30538308	JOOUHHOYGUBYBR-ZDUSSCGKSA-N	365.264	3.195	30	40	FGEB	
CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O	101661324	ZLHJRXYWVGEUIN-IBGZPJMESA-N	363.433	3.435	30	40	FGEB	
Cc1c(/C=N/N2CCOCC2)c2ccccn2c1C(=O)c1ccc(F)cc1	6684022	KDSBZSKQRJZTIK-OEAKJJBVSA-N	365.408	3.284	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(O)cc2O)nc2ccsc2c1=O	8935509	KWKKANCFCNDUBZ-UHFFFAOYSA-N	374.443	3.030	30	40	FGEB	
N#CCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1	24689609	SJUGCNZSBQYFDM-UHFFFAOYSA-N	364.449	3.375	30	40	FGEB	
COC(=O)C1=C(C)N(c2ccc(C#N)cc2)C(=O)N[C@@H]1c1cccc(C#N)c1	11561939	OKRITZSNXVQAQX-LJQANCHMSA-N	372.384	3.148	30	40	FGEB	
C=CCc1ccccc1OCc1nnc(S[C@@H](C)C(=O)O)n1CC=C	27532703	CCFJXFMHZUTQTA-ZDUSSCGKSA-N	359.451	3.337	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)Cn1cnc2sc(C)c(C)c2c1=O	7383725	FQMXTYYFQMBYIF-UHFFFAOYSA-N	373.503	3.351	30	40	FGEB	
CC(C)c1cc(C(=O)OCC(=O)Nc2sccc2C#N)nn1C(C)(C)C	51700984	JJNHEEPVFXOHBM-UHFFFAOYSA-N	374.466	3.490	30	40	FGEB	
COc1cccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)c1	1354193	XQRNRUMWSANZJE-UHFFFAOYSA-N	374.400	3.421	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccnc2)no1	102879308	QLRSUHJYICBVRD-IDTYTIONSA-N	367.386	3.066	30	40	FGEB	
C=CCNc1nnc(SCC(=O)Nc2cccc3ncccc23)s1	8744646	GUQLQUYVZCDFMZ-UHFFFAOYSA-N	357.464	3.415	30	40	FGEB	
Cc1cc(Br)cc(/C=N/n2c(C)nc3ccccc3c2=O)c1O	1274120	TULFGXCQMAKCAI-DJKKODMXSA-N	372.222	3.364	30	40	FGEB	
N#Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1Cl	25060697	UGDMRNPOUHKNNZ-UHFFFAOYSA-N	355.703	3.031	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccc1)N(C)CC3)OCO2	110281297	FBWKJYJCSSZORR-KQRQPNSISA-N	354.406	3.222	30	40	FGEB	
CC1=NN(C(=O)COc2ccccc2C#N)[C@](O)(c2ccc(Cl)cc2)C1	408563594	PFVHVIHUDXZPQU-LJQANCHMSA-N	369.808	3.044	30	40	FGEB	
CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1	4812562	OVQIEXVCGCSBBW-HNNXBMFYSA-N	351.454	3.144	30	40	FGEB	
COc1ccccc1[C@@H]1CC[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N	586771472	KUHRCOLKKJJJBM-PBHICJAKSA-N	371.462	3.124	30	40	FGEB	
CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	17109859	XIAROBJZBXPNKK-KNTRCKAVSA-N	362.451	3.105	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)cs1	3569235	ZUQCVRVVFHKWKV-UHFFFAOYSA-N	365.842	3.498	30	40	FGEB	
C[C@@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)NC1(C#N)CCCCC1	24166529	RNPGWMPNWFBIPK-HUUCEWRRSA-N	360.479	3.442	30	40	FGEB	
CC1(C)CC2=Nc3c(C(N)=O)cnn3[C@H](c3ccc(C#N)cc3)C2=C(O)C1	102452605	KPBRVAYOFLOKJC-QGZVFWFLSA-N	361.405	3.161	30	40	FGEB	
Cc1nc2c3ccccc3nc(SCC(=O)Nc3ccccc3C#N)n2n1	13228786	PDUXOCHLJWDKGZ-UHFFFAOYSA-N	374.429	3.188	30	40	FGEB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc2c(c1)CCC2	5403989	OOBFFGOUAXDYRZ-GRSHGNNSSA-N	372.490	3.146	30	40	FGEB	
C[C@H](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1	4681946	FJFLWHMPDSGWOT-CQSZACIVSA-N	353.397	3.369	30	40	FGEB	
CCCNc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1	7792290	ICOBEJNHHQVBMQ-VIFPVBQESA-N	353.498	3.094	30	40	FGEB	
CCCCO[C@@H]1C[C@@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C	89954790	CILFICWOHOMALI-QZTJIDSGSA-N	374.481	3.323	30	40	FGEB	
Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)[C@@H]1CCCN1c1ccccc1	329169700	JFTXRQAYBJSULF-ZYSHUDEJSA-N	354.454	3.123	30	40	FGEB	
COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc(OC)c1O	253617008	UOYMPNLJCIRAPF-UHFFFAOYSA-N	370.434	3.147	30	40	FGEB	
CCOc1ccccc1NC(=O)NCC#CCN(C)Cc1ccccc1	85470643	XARGPZGWVDMYJZ-UHFFFAOYSA-N	351.450	3.342	30	40	FGEB	
N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1	648045140	DZIKIUPLDILSQU-QWRGUYRKSA-N	358.257	3.339	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC3(C[C@H](OCC4CCCC4)CCO3)C2)c1	575403645	JIUHUXUGSWQAMP-LJQANCHMSA-N	354.450	3.139	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C#N)cc2)NC(=O)N1	5417051	TUPSCYYCKPGQQH-QGZVFWFLSA-N	366.808	3.478	30	40	FGEB	
N#Cc1cccc(N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)n1	1889109979	IJCKFQKWVURKEG-IUODEOHRSA-N	359.355	3.082	30	40	FGEB	
N#Cc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1	40080318	ZYJWCDYRFBDXJU-SFHVURJKSA-N	363.465	3.172	30	40	FGEB	
CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	6262503	NIHGLTHSFRMQBH-UHFFFAOYSA-O	360.437	3.230	30	40	FGEB	
O=C(N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)C(F)(F)F	7388410	WWGVKQHVWYCVCL-UHFFFAOYSA-N	364.648	3.107	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2	12348776	SJWWOULNGSEDGQ-GOSISDBHSA-N	373.412	3.436	30	40	FGEB	
Cc1ccc(-c2nnn(Cc3c(C#N)c(C)nn3-c3ccccc3)n2)cc1	27502160	RERHQJYGNLRCOV-UHFFFAOYSA-N	355.405	3.063	30	40	FGEB	
N#Cc1ccc(CSc2nnc(NC(=O)c3ccncc3)s2)cc1	3397483	BOOQPWYDXOVPAI-UHFFFAOYSA-N	353.432	3.349	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	3443655	CPAGBNSRROGHSW-UHFFFAOYSA-N	361.741	3.146	30	40	FGEB	
C=CCSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)CCCC3	5561200	SJJFZEYEAQSHGE-UHFFFAOYSA-N	356.480	3.355	30	40	FGEB	
N#CC1(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)CCCC1	6788096	AHXDAVDQZDEHQF-HNNXBMFYSA-N	354.479	3.386	30	40	FGEB	
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1	4899253	KDYGSHLNSZKUHC-ORWNMUSCSA-N	371.437	3.389	30	40	FGEB	
C=C(C)CN1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1	95480206	QTRKWDAFHBTRFC-UHFFFAOYSA-N	372.538	3.225	30	40	FGEB	
CC(C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl	409352956	FRQHLLVNBATEKU-UHFFFAOYSA-N	357.797	3.425	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)Cc3cccc(C)c3)c2C#N)C1	38549335	PEFSWYMANOGOIH-UHFFFAOYSA-N	353.447	3.014	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218105870	FJBZOHUXLUKREY-AABGKKOBSA-N	371.458	3.100	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(C[C@@H]2CCCO2)CC3)cc1	585100051	DFRQGHSIMPPCGF-UNMCSNQZSA-N	367.493	3.198	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1	24832781	HQBNWEADMUKLBY-UHFFFAOYSA-N	369.424	3.310	30	40	FGEB	
C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@H](O)CCCCC)[C@H]1C2	204787032	GNZJIIUXMNGZCY-IDIMIXOQSA-N	360.450	3.235	30	40	FGEB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)oc3ccccc23)cc1	28249213	ZFHUTOIUIPYNKL-UHFFFAOYSA-N	355.375	3.064	30	40	FGEB	
N#Cc1cccc(CNCC2(c3ccc4c(c3)OCO4)CCOCC2)c1	58161356	HHCPKPQOAJKNBH-UHFFFAOYSA-N	350.418	3.125	30	40	FGEB	
COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C#N)cc3)coc2c1	3419627	DUOLXLJHPWXMRL-UHFFFAOYSA-N	364.357	3.037	30	40	FGEB	
COc1ccc(C[C@@H]2S/C(=N\N=C(\C)c3ccc(F)cc3)NC2=O)cc1	6014528	KNELWGWSWBISBH-SLCIXIPPSA-N	371.437	3.389	30	40	FGEB	
Oc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1	5596017	GQIYWECUOUBARO-YBFXNURJSA-N	362.418	3.212	30	40	FGEB	
Cc1ccc(C)c(/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	4738542	JMNKJSCSPUXXRJ-LKKXKRCMSA-N	353.353	3.044	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccnc2)no1	9087637	ZUHUHEUGEBEREY-QGZVFWFLSA-N	361.357	3.161	30	40	FGEB	
C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1F	9501691	XHLWDKODWYTFDN-UHFFFAOYSA-N	350.371	3.111	30	40	FGEB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1C=Nc1ccc(F)cc1	408533076	JKDWJXMJEYFUPZ-AWEZNQCLSA-N	359.744	3.081	30	40	FGEB	
COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3O)S2)cc1	408968166	ZUGORTSWZXULRC-GDNBJRDFSA-N	356.403	3.301	30	40	FGEB	
C=CCOC(=O)c1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1	73634500	KSQAJKOOFDSFLP-UHFFFAOYSA-N	354.313	3.214	30	40	FGEB	
C[C@H]1C[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C	76040376	YGDQETPBGAIQBO-LSDHHAIUSA-N	374.554	3.242	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1	169690732	YXMDIQCDLJBXNR-GRAGSMHMSA-N	351.450	3.064	30	40	FGEB	
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccc(Cl)cc2)c1=O	2647342	IESOMIDZRGXPDU-UHFFFAOYSA-N	350.761	3.299	30	40	FGEB	
C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	19087706	UQUQHSXKMGDOOT-QGZVFWFLSA-N	364.357	3.359	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)cc1	102883046	ROFUTBRDEBSCFQ-SELCWUDQSA-N	351.402	3.063	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)C(=O)NC1=S	1201659	NVZMCLSGIUSJOI-FOWTUZBSSA-N	366.442	3.051	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1	4435945	BOQFNXMLIUAFRU-DJJJIMSYSA-N	362.389	3.295	30	40	FGEB	
CCOCCC/N=C1/SC[C@H](CC)N1C(=O)c1cccnc1Cl	16035510	GVLMZJFNODOQGO-NWLJZCLZSA-N	355.891	3.485	30	40	FGEB	
Cc1onc(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1C#N	95467415	ADGHGXUFRFYLSJ-UHFFFAOYSA-N	372.384	3.487	30	40	FGEB	
CCC(CC)CN1CCOC[C@@]2(CC[C@@H](CNc3ccc(C#N)cn3)O2)C1	306127263	FTLMQFYPWPGWTE-PZJWPPBQSA-N	372.513	3.051	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccccc1Cl	408535771	ORWHCDFLTIGEID-SNVBAGLBSA-N	359.744	3.081	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)N3CCCC(F)(F)C3)CC2)OC1(C)C	1776007562	LSOQVVTZSMJCSA-UHFFFAOYSA-N	356.222	3.101	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)c1	1776001736	ITZGWJNJWXJKIT-CQSZACIVSA-N	353.813	3.169	30	40	FGEB	
COc1cccc(C(=O)N2CCCN(c3c(F)cc(C#N)cc3F)CC2)c1	60320153	RWDLUIKGUBSWMD-UHFFFAOYSA-N	371.387	3.198	30	40	FGEB	
N#Cc1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1	5684778	UDCWPLCEVLZYIO-QZTJIDSGSA-N	350.399	3.341	30	40	FGEB	
Cc1nc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c(C#N)c(C)c1C	5089296	LDJHHZPWVMXTRK-ZDUSSCGKSA-N	368.462	3.097	30	40	FGEB	
CC(=O)c1c(C)[nH]c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1C	47138171	CRWPYGXWTYMYNT-UHFFFAOYSA-N	364.449	3.058	30	40	FGEB	
CC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C#N)c1C	409062381	SSYVHYYIQPGHFH-UHFFFAOYSA-N	359.363	3.057	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCC(OCc2ccccc2)CC1	14167519	BBFWEVIJLWWHKC-UHFFFAOYSA-N	355.463	3.239	30	40	FGEB	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C2CC2)c1	7058080	VRDZUOQPHNQWGO-LJQANCHMSA-N	354.479	3.390	30	40	FGEB	
N#Cc1c(O)nc(SCC(=O)OC2CCCC2)nc1-c1ccccc1	7995205	TVBNWWWAUJTSBK-UHFFFAOYSA-N	355.419	3.299	30	40	FGEB	
CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cccc(C#N)c1	21377787	JZBJSXCCWPMENH-ZHACJKMWSA-N	350.374	3.152	30	40	FGEB	
CCOC(=O)/C(=N/C[C@H]1CCCO1)NNc1cc(Cl)ccc1Cl	3178989	NIEBMPFPTGZEDD-LLVKDONJSA-N	360.241	3.051	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1	100418204	IELCPDIIMMSXBN-JTQLQIEISA-N	364.804	3.197	30	40	FGEB	
Cc1ccc(-c2nc(CN3CCN(c4cc(C#N)ccn4)CC3)cs2)o1	29714307	LKLWDFBWDCMKSM-UHFFFAOYSA-N	365.462	3.300	30	40	FGEB	
C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@]21O3	1413536	ZXQWXPZHCBDOMJ-XFEYQPKCSA-N	373.836	3.134	30	40	FGEB	biogenic
O[C@]1(Cn2cncn2)c2ccccc2CC[C@@]12O[C@@H]2c1ccc(Cl)cc1	1270812	AMIQPHHTWZOBRV-AQNXPRMDSA-N	367.836	3.276	30	40	FGEB	
COc1ccc2ccc(O)c(CN3CCN(c4cc(C#N)ccn4)CC3)c2c1	24636276	OIBNXXMCERDZIL-UHFFFAOYSA-N	374.444	3.143	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1	5079665	LCKCMUIQQBPDGG-DHZHZOJOSA-N	368.433	3.150	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)c2ccccc2Br)c1	5059260	HGNMYEKGJYEBLV-UHFFFAOYSA-N	359.179	3.116	30	40	FGEB	
C/N=C1/S/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1C	4694933	WPRISGCGDUSQGE-QGRDVHRESA-N	361.648	3.340	30	40	FGEB	
N#Cc1ccc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	4840422	CDTWIHJKHCNDEL-UHFFFAOYSA-N	351.362	3.424	30	40	FGEB	
C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)NC1(C#N)CCCCC1	8939263	VHAMEQMFPVJDJH-GFCCVEGCSA-N	357.435	3.184	30	40	FGEB	
C=CCn1ncc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)c1C	43568716	CGSLJVVEKZNGKH-VXKWHMMOSA-N	350.510	3.269	30	40	FGEB	
CNC(=O)COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1OC	98008543	XELHUUQAUXVWHH-WJDWOHSUSA-N	351.402	3.033	30	40	FGEB	
CCCCc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1COC(C)(C)C2	95480035	OOGCSGWRGHTUMM-UHFFFAOYSA-N	371.481	3.148	30	40	FGEB	
CC1=C/C(=N\OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C(C)C)=CC1=O	16779859	YHVVFUZRWGZGAJ-NBVRZTHBSA-N	373.321	3.127	30	40	FGEB	
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C1=C(CCCC1=O)N2	5860807	NWWPGHUQZAQIFC-CQSZACIVSA-N	368.462	3.230	30	40	FGEB	
Cn1c(=O)c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21	100361657	DRBUWPLKPDLYNB-MDZDMXLPSA-N	350.330	3.048	30	40	FGEB	
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCC(N)=O	680983	FASDVIUMQASKSR-DJKKODMXSA-N	363.211	3.072	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)n1nnnc1N2	18190394	GHKJURRQERSDHQ-FQEVSTJZSA-N	373.416	3.274	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc(F)cc4)[C@H]3[C@@H]3O[C@@]132	4028581	LXVOWNYHSOFXRJ-IXXRBUOISA-N	373.468	3.441	30	40	FGEB	biogenic
C[C@H]1C[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C	76040381	YGDQETPBGAIQBO-GJZGRUSLSA-N	374.554	3.242	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2)cc1OC	5668982	VHLHIDKZTAIKJN-GOSISDBHSA-N	353.374	3.193	30	40	FGEB	
COc1cc([N+](=O)[O-])ccc1N/N=C(\C)c1ccc(N2CCOCC2)cc1	97272333	QVDRWEOBPKAOGO-XSFVSMFZSA-N	370.409	3.276	30	40	FGEB	
CC12CN3CN(C1)CC(C)(C3)C2/N=C/c1cc2ccccc2nc1Cl	79495635	LCRQOBMYJMOUIE-GZIVZEMBSA-N	354.885	3.291	30	40	FGEB	
COc1ccc(/C=C2/CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC	5846713	LMGMCXMLKLAHNB-PTNGSMBKSA-N	372.442	3.456	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C)cc1	102930785	OKJZWBQGVJUJQT-IBOXJLQUSA-N	357.431	3.125	30	40	FGEB	
N#CCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1	23150952	UILXWGGKICFMEC-UHFFFAOYSA-N	361.195	3.369	30	40	FGEB	
C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1	12552314	NTNRQQNPKLCLBE-ZDUSSCGKSA-N	364.442	3.192	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3cccc(C)c3)C(=O)NC2=S)cc1	408756939	UUDDMAKDXWZMQQ-MBTVCVBTSA-N	351.431	3.070	30	40	FGEB	
CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1	13816580	BVFWKGYPCUXGLE-MOSHPQCFSA-N	365.429	3.403	30	40	FGEB	
C[C@H]1CCc2c(sc3ncnc(SCC(=O)N(C)CCC#N)c23)C1	5334090	CAVOREMOMYNHLR-NSHDSACASA-N	360.508	3.280	30	40	FGEB	
C=CCc1cc(/C=N\N2C(=O)CSC2=S)cc(OCC)c1OCC	409327039	GYPJECBLOUHBLB-ZDLGFXPLSA-N	364.492	3.407	30	40	FGEB	
O=C(O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1	408965579	WBESULRTSXNVLB-LZYBPNLTSA-N	367.142	3.446	30	40	FGEB	
CCCCN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	71844459	OTKIRTXASDXEGK-INIZCTEOSA-N	372.513	3.088	30	40	FGEB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCC#N	409050370	VCNNCVPIFFYVSS-DHDCSXOGSA-N	362.476	3.455	30	40	FGEB	
CCOc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCC(C)C	409343316	GNAXFGWUCSGOJQ-CAOOACKPSA-N	352.481	3.314	30	40	FGEB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(O)c(OC)c1	408736392	BLLALONRHSAEEI-RYFGYPJOSA-N	352.390	3.085	30	40	FGEB	
C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	224820457	KDVPVUASAMYFGS-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)/N=C(\O)CCOc2ccccc2Cl)cc1	48503586	GCJDLUGDXFQJFL-UHFFFAOYSA-N	364.810	3.326	30	40	FGEB	
C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc(C#N)cc1	12920821	NZOSSVAKDMBIIX-QGZVFWFLSA-N	362.477	3.271	30	40	FGEB	
N#Cc1cnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c(Cl)c1	2298187883	QKXFPDYQLBFADH-CYBMUJFWSA-N	368.815	3.081	30	40	FGEB	
Nc1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Cl	3037119	SLRGGAGEPCXWET-UHFFFAOYSA-N	359.650	3.486	30	40	FGEB	
CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	56898819	HERCGHIBUWWDIX-CWNVBEKCSA-N	360.494	3.199	30	40	FGEB	in-man
C=CCN(CCc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1	58182775	UKSDPTWNERSGHZ-UHFFFAOYSA-N	362.433	3.322	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)ccc2F)CC1	14170044	XALWSEGERVALRT-SFHVURJKSA-N	359.351	3.127	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=Nc3ccccc32)cc1	5525080	RCLVOBODJLLSSK-UZYVYHOESA-N	356.451	3.249	30	40	FGEB	
COc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(C)cc2)NC1=O	7127106	MBNOCSXZMHRAQO-MRXNPFEDSA-N	369.446	3.252	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(C3CC3)n2C2CC2)n1	7851304	VVHYNLJZYSZITR-LBPRGKRZSA-N	359.480	3.224	30	40	FGEB	
CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C#N)c1	225769995	GWQQWCYCVUXCEK-UHFFFAOYSA-N	364.401	3.170	30	40	FGEB	
CC(C)(C)c1ccc(OCC2CCN(c3cc(C#N)ccn3)CC2)nn1	1775969482	USEZOMSTHGHJMW-UHFFFAOYSA-N	351.454	3.336	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)/N=C(\O)CCc2nnc(C(C)C)o2)c1	80250817	NTENZSGARXLKSE-UHFFFAOYSA-N	351.428	3.088	30	40	FGEB	
CCOc1c(Br)cc(Br)cc1/C=N/n1cnnc1	5335980	JSNAARNQSRUPAP-FZSIALSZSA-N	374.036	3.084	30	40	FGEB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	5787185	WQGCFNGITAJFSI-HHXXYDBFSA-N	373.449	3.484	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1cccc(F)c1)O3	4451196	QOXYKXOQFVXHFB-OHQAAIJDSA-N	350.353	3.335	30	40	FGEB	
C=CCn1c(SCC(=O)NC(C)(C)C)nc2c([nH]c3ccccc32)c1=O	5106716	QBMFZQDEUULOTI-UHFFFAOYSA-N	370.478	3.071	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2ccc(F)cc2F)c(O)c2ccccc21	12414641	UOAFAIFLMWGQBY-UHFFFAOYSA-N	356.328	3.424	30	40	FGEB	
CC1=CC(=O)/C(=C(/C)Nc2ccc(C(=O)N3CCCCC3)cc2)C(=O)O1	102449010	YSBCWCPPOHJCJX-NBVRZTHBSA-N	354.406	3.028	30	40	FGEB	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O	4308630	BRKDIZUTCWLFHI-LJQANCHMSA-N	371.343	3.127	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nccs1	101013972	WUGOCZKECHHBFW-KJNTZPDISA-N	359.432	3.465	30	40	FGEB	
CCO[C@H]1N(Cc2ccccc2)C(=O)C(C#N)=NN1c1ccc(Cl)cc1	1408846	VQZFMCDDHFINEF-IBGZPJMESA-N	368.824	3.388	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)c1nn(CCC)c(=O)c2ccccc12	58157500	FAAOKMHTKBHQRH-UHFFFAOYSA-N	373.456	3.391	30	40	FGEB	
Cc1cc(NC(=O)COc2ccccc2C#N)n(-c2ccc(F)cc2)n1	11432733	CWDSKQPFGMLFLR-UHFFFAOYSA-N	350.353	3.209	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1	5165133	ZWTGNKLTWDUMCW-UHFFFAOYSA-N	363.339	3.454	30	40	FGEB	
C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(S(N)(=O)=O)c1	95965241	RWWHJBUIPHYXIL-JTQLQIEISA-N	369.368	3.398	30	40	FGEB	
CO/C(=N/C(=C/N(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1	33516839	XOAUXWLSYAUVQU-KLZMBSQASA-N	358.463	3.222	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@@H](C)C2)n1	225924136	CIIMUIIGBZGREF-OAHLLOKOSA-N	374.558	3.176	30	40	FGEB	
NCCCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21	143007292	YWNLUOQGSNHETA-OAHLLOKOSA-N	352.434	3.222	30	40	FGEB	
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	5046230	NNCFXEPIIRPTCE-UHFFFAOYSA-N	365.458	3.088	30	40	FGEB	
CC(C)C[C@H](C#N)NC(=O)c1ccn(-c2ccc(Br)cc2)n1	590205327	CIZRMGAZHORWNL-CYBMUJFWSA-N	361.243	3.303	30	40	FGEB	
N#Cc1ccc(CCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)cc1	206773326	UFJHHYKONXDJPN-SFHVURJKSA-N	374.444	3.417	30	40	FGEB	
C[C@@H](/N=C(\O)c1cc(F)cc(F)c1)c1cccc(NS(C)(=O)=O)c1	40090097	NZGATEZWMOVEEX-SNVBAGLBSA-N	354.378	3.402	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nnc1C1CC1	103064383	XBUFTGNYLLIPRO-RRCSTGOVSA-N	360.527	3.375	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nccc(C(F)(F)F)n2)n1	22614470	RIUQPQIETXWUJZ-QMMMGPOBSA-N	358.370	3.229	30	40	FGEB	
Cc1ccnc(NS(=O)(=O)c2ccc(/N=C\c3ccccc3O)cc2)n1	104306482	YAPHCRLOBQDWOD-NDENLUEZSA-N	368.418	3.042	30	40	FGEB	
C=CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl	409347931	NQUQRLCWKBMUAP-UHFFFAOYSA-N	355.781	3.203	30	40	FGEB	
Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N	13095634	AFAJCVMVCAIRJU-INIZCTEOSA-N	364.449	3.073	30	40	FGEB	
N/C(=N\OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1	4526056	PQYFONJXUURKLA-UHFFFAOYSA-N	354.149	3.379	30	40	FGEB	
CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(C#N)ccc2F)C1=O	9499896	SEUFPYFKNISWBX-FQEVSTJZSA-N	351.381	3.445	30	40	FGEB	
COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1	4880795	VXSRANAJLGWQRP-BSBNDGSWSA-N	369.446	3.285	30	40	FGEB	
C=CCNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	113966310	FEDVJTPFZQLJNG-UHFFFAOYSA-N	372.490	3.185	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)c(C#N)c2)CC1	95081651	USEJUSUKUAPCSV-UHFFFAOYSA-N	366.259	3.378	30	40	FGEB	
N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)nc1	90607647	BPYBTGARIREMIH-UHFFFAOYSA-N	370.840	3.360	30	40	FGEB	
N#Cc1cccnc1N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1	1888888261	CHDNJJKQJNICGH-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
N#Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(N)=O	1517281	MWOGIHRJJASIIW-FXBPSFAMSA-N	368.190	3.398	30	40	FGEB	
COc1ccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c(OC)c1	20589439	FPUBCYJFVRCFNE-NVMNQCDNSA-N	369.417	3.396	30	40	FGEB	
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(N2CCOCC2)o1	1095377	DYRYUMNQBPLFFR-RVDMUPIBSA-N	373.409	3.147	30	40	FGEB	
CC1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC(C)C)CC1	2360802	ZYGPSTNSOFQJJP-HNNXBMFYSA-N	352.438	3.425	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2nnc[nH]2)n(C2CCCCC2)c1C	12798499	YJZKLCYTRAXGBV-UHFFFAOYSA-N	358.471	3.331	30	40	FGEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1	12843855	YZKFCMPMISHZDV-XNHPLOEXSA-N	353.447	3.168	30	40	FGEB	
COCCn1c(SCc2ccccc2C#N)nc2ccccc2c1=O	7005894	IVODYVFQNMXXQU-UHFFFAOYSA-N	351.431	3.207	30	40	FGEB	
CN(C)c1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br	409098379	ONSJTPXFOCAQAF-RQZCQDPDSA-N	364.203	3.264	30	40	FGEB	
COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1	72242112	QJWGNLBQEHYBDU-AZUAARDMSA-N	363.417	3.115	30	40	FGEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	224893638	QHWRQSSWFKWEOA-UHFFFAOYSA-N	360.435	3.035	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	95101419	RITXGICQKPODOR-OALUTQOASA-N	373.372	3.381	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCC4CCCC4)CS3)C2)c1	575405711	ZKCCUVKGDIIWJH-GOSISDBHSA-N	356.491	3.465	30	40	FGEB	
C=CCOc1ccc(C(=O)N2CCC(C(=O)c3cccnc3)CC2)cc1	12143302	PQLRTGPHCVDXJW-UHFFFAOYSA-N	350.418	3.382	30	40	FGEB	
N#Cc1ccnc(OCC2CCN(C(=O)Cn3ccc4ccccc43)CC2)c1	1775970017	XIIUZRGAUOKSMW-UHFFFAOYSA-N	374.444	3.226	30	40	FGEB	
COc1ccc(OC)c(N/C=C/c2nccc3c2cnc2c(C#N)cnn23)c1	100919138	OLPIPKHHXKAGAL-FNORWQNLSA-N	372.388	3.249	30	40	FGEB	
CNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1	32828743	HEHXCFHSWXGLJM-OAHLLOKOSA-N	372.837	3.363	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2ccc(CO)cc2)C(C)(C)c2ccccc21	18156612	BRUDVKPTBPFWPP-NDENLUEZSA-N	365.429	3.216	30	40	FGEB	
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1	100973090	YYQNGSHAMLPABX-UWZWCOGJSA-N	366.489	3.129	30	40	FGEB	
O=[N+]([O-])c1cccc(-n2cccc2/C=N/n2c(S)nnc2C(F)F)c1	8418542	GSFUSOVUJGRKPT-CAOOACKPSA-N	364.337	3.086	30	40	FGEB	
C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#Cc2cccs2)c1	13008497	NDAVPYUCVMPPPF-AWEZNQCLSA-N	364.426	3.498	30	40	FGEB	
CN(C(=O)COC(=O)c1ccc2ncsc2c1)C1(C#N)CCCCC1	4547014	SLUILOYEXSSFEA-UHFFFAOYSA-N	357.435	3.138	30	40	FGEB	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O	7985664	ULRRKTFIVYCNSN-ZDUSSCGKSA-N	369.808	3.212	30	40	FGEB	
N#Cc1ccc(CSCC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1	95983011	OVQIAHABKCAKIS-RBUKOAKNSA-N	370.449	3.265	30	40	FGEB	
N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O	409153871	ISRKDLJSQULPSZ-SXGWCWSVSA-N	364.382	3.493	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(c3cc(C(F)(F)F)ncn3)C2)c1	1776001842	OCAAUEVRZVNXEF-ZDUSSCGKSA-N	363.343	3.057	30	40	FGEB	
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccncc3)n2)cn1	585295095	ZWDUOCAVEYVPPJ-LJQANCHMSA-N	357.421	3.219	30	40	FGEB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	5000837	UJDXNMHLQACVKA-HUUCEWRRSA-N	367.424	3.316	30	40	FGEB	
CC(=O)C1=C(C)Nc2nc(N3CCCCC3)nc(N)c2[C@@H]1c1ccccc1	13637610	DZZPYMKRJIAKTB-QGZVFWFLSA-N	363.465	3.470	30	40	FGEB	
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cc([N+](=O)[O-])ccc1Cl	19959673	SNZIKKHZUGVLBA-GLEZIHRCSA-N	359.773	3.108	30	40	FGEB	
N#Cc1ccncc1N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1	1888890523	ZLCVIURGJDGFEW-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
C=CCOc1ccc(/C=N/n2cnc3c([nH]c4cc(OC)ccc43)c2=O)cc1	2264995	YNYHPYAQLGXBOH-FSJBWODESA-N	374.400	3.333	30	40	FGEB	
Cc1[nH]c2ccccc2c1/C(O)=N/S(=O)(=O)N(C)Cc1ccccc1	48677605	ZQGGHMRLARHNGX-UHFFFAOYSA-N	357.435	3.158	30	40	FGEB	
O=C1Nc2ccc(Br)cc2/C1=N/N=c1\[nH]c2ccccc2s1	4611062	KGTQLVIOMUAOGA-UHFFFAOYSA-N	373.235	3.249	30	40	FGEB	
C=CCn1c(O)c(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccccc21	5444038	BMONEFGNILUAKS-UHFFFAOYSA-N	368.820	3.477	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(C(C)C)cc1	4312228	JJBYJJPSWIXASW-LJQANCHMSA-N	367.449	3.381	30	40	FGEB	
CCOC(=O)C(=O)/C=C/[C@H]1[C@@H](NC(=O)OCc2ccccc2)C=CC[C@H]1C	6891626	DSVLISNTLNSKSI-ILVVHCEBSA-N	371.433	3.182	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)NC2CCN(Cc3ccccc3F)CC2)cc1	58393455	VFMXVTCIKNPLIW-MDZDMXLPSA-N	363.436	3.491	30	40	FGEB	
N#Cc1ccccc1CSCC(=O)N1CCN(c2ccccc2)CC1	6820176	QCPOSIZFRCDBHP-UHFFFAOYSA-N	351.475	3.140	30	40	FGEB	
N#Cc1cnc(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)nc1N	9221104	FJFKJXXODDYMNT-INIZCTEOSA-N	361.430	3.403	30	40	FGEB	
C=CCc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O	409208492	GIBIRMHBRAELQJ-ZDLGFXPLSA-N	372.337	3.392	30	40	FGEB	
CC(=O)OC1CCC(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	71785559	DCFBQXRYZRWTLF-SXGWCWSVSA-N	350.331	3.023	30	40	FGEB	
CN1CCC(Oc2ccc(N=C(O)[C@H]3COc4ccccc4C3)cn2)CC1	328690962	RALOTVACBSDBJI-MRXNPFEDSA-N	367.449	3.394	30	40	FGEB	
CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O	5820088	YRTJDWROBKPZNV-QGFXQSQTSA-N	350.455	3.459	30	40	FGEB	
CC1CCN(CCc2nnc(/N=C(\O)C3Oc4ccccc4O3)s2)CC1	19496918	NNWXHVBUKWLRQD-UHFFFAOYSA-N	374.466	3.198	30	40	FGEB	
C[C@@H]1CN(C(=O)C2(C#N)CCCC2)C[C@]12CCN(c1ccsc1)C2=O	1614932549	CRCJYCNMUHUVLN-AUUYWEPGSA-N	357.479	3.033	30	40	FGEB	
N#CC1(NC(=O)CNc2ccc(Br)cc2Cl)CCCC1	40009476	LPRIWWWSAPETTQ-UHFFFAOYSA-N	356.651	3.467	30	40	FGEB	
CCCCCS(=O)(=O)/N=C1/S[C@H](CC)C(=O)N1c1ccccc1	101219214	KDYGDMKKJIRQGK-UVTIVQHFSA-N	354.497	3.421	30	40	FGEB	
C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(Cl)cc1	21425586	VVVUNQGQHXFVMU-VIFPVBQESA-N	357.826	3.180	30	40	FGEB	
Cc1ccc(NCC(=O)N(CCC#N)CCC#N)c(OCC(F)(F)F)c1	79074918	SAIBRTFEJZXMKS-UHFFFAOYSA-N	368.359	3.004	30	40	FGEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1	22001476	RJTDWMKVQUPGSY-NYTLBARGSA-N	356.462	3.341	30	40	FGEB	in-vitro
O=C(Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1)c1ccco1	53528403	RIDXULMMVRESKL-UHFFFAOYSA-N	374.360	3.348	30	40	FGEB	
C=CCn1c2ccccc2c2nnc(SCC(=O)N3CCCCC3)nc21	719849	SYUPNUGZYKGXGT-UHFFFAOYSA-N	367.478	3.270	30	40	FGEB	
Cc1nnc([C@H]2Cc3ccccc3CN2CCOc2ccc(C#N)cc2)o1	58406102	JPWWWARNZBMDSU-HXUWFJFHSA-N	360.417	3.428	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1)c1ccccc1	4040969	IWWRYGCARTYIKP-LJQANCHMSA-N	371.396	3.255	30	40	FGEB	
Cn1ccc(C(=O)/C=C/c2ccc(COc3ccccc3[N+](=O)[O-])o2)n1	6828246	GPMSCCPCEHXEDZ-CMDGGOBGSA-N	353.334	3.396	30	40	FGEB	
CC[C@@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409361535	DAMNOLSLGFXIOB-CYBMUJFWSA-N	367.405	3.170	30	40	FGEB	
CCOc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCO2	409104179	GFJIJZDBSUWTAN-IUXPMGMMSA-N	374.309	3.076	30	40	FGEB	
N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2ccccc2c1	5689359	KKBPHGPVZLRXQR-UHFFFAOYSA-N	351.431	3.339	30	40	FGEB	
O=C(O)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1	13351739	SPRIPEURQOYNIH-FPYGCLRLSA-N	355.365	3.257	30	40	FGEB	
N#Cc1ccc(N2CCC(COc3ccc4nc(C5CC5)cn4n3)CC2)nc1	1888888270	LRWSJERYYBDALV-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
CCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CC)n2c(C)nnc2S1	4518305	KYHCMAQCZLIFQI-UHFFFAOYSA-N	356.451	3.223	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)NC)cc2)cc1OC	32903329	FMCAWNXZEIRSCE-UHFFFAOYSA-N	355.394	3.264	30	40	FGEB	
Cc1nn(-c2ccccc2)nc1C(=O)OCc1cn2ccccc2c1C#N	48300316	YKOGUGVWYVPURG-UHFFFAOYSA-N	357.373	3.057	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1	5408695	GSBKCAYIHXSLTG-WOOAAIBNSA-N	364.445	3.060	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1	4785958	CDRXUTSNZIMIDB-OMJMQIJPSA-N	353.469	3.372	30	40	FGEB	
Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966443	MTKQPHCCJMQYJC-MTJSOVHGSA-N	369.446	3.198	30	40	FGEB	
Cc1n[nH]c(C)c1[C@@H]1COCCN1/C(O)=N/[C@@H](C1CCCC1)C(F)(F)F	330172038	XSAKURYJBVIWCE-ZFWWWQNUSA-N	374.407	3.435	30	40	FGEB	
C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1	330253896	OXPGHAOFEKFBML-XJKSGUPXSA-N	353.447	3.008	30	40	FGEB	
Cn1c(=O)n(C)c2cc(/N=C/c3cc(Br)ccc3O)ccc21	1090906	WEBIEXHCYAKADB-GIJQJNRQSA-N	360.211	3.096	30	40	FGEB	
CCN1C(=O)/C(=N/NC2=C(C)[C@H](C)[C@H](c3ccccc3)C2=O)SC1=S	1554504447	TTYJKNPDIUVSHB-TUFZRRITSA-N	373.503	3.046	30	40	FGEB	
CCc1nc(C)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)s1	50579483	OGNINPIZNBMGCL-UHFFFAOYSA-N	354.479	3.238	30	40	FGEB	
CCOc1ccc(C(C)=O)cc1COC(=O)COc1ccccc1C#N	2631170	PIHSHYNASWFWSG-UHFFFAOYSA-N	353.374	3.282	30	40	FGEB	
CN1CCCC[C@H]1CN1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	78990446	IKCKFIZNEZOMNR-KRWDZBQOSA-N	366.431	3.183	30	40	FGEB	
C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1	7482563	JVRDTLGEWBCPSM-LBPRGKRZSA-N	358.781	3.161	30	40	FGEB	
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C#N)cc1Cl	7857433	JRZFJNSDNKSXQQ-LBPRGKRZSA-N	369.808	3.354	30	40	FGEB	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccccc2OCc2ccccc2)C(=O)O1	3560093	DQFBGRBRBTYTHE-RJRNSMGGSA-N	362.381	3.494	30	40	FGEB	
COC(=O)c1cccc2c1CCCN2C(=O)[C@H](C)Oc1ccc(C#N)cc1	12945461	WNXQMNKPAMPYKE-AWEZNQCLSA-N	364.401	3.092	30	40	FGEB	
C[C@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O	18227802	LSTIRXMYIOVILX-RKQLKTQESA-N	364.423	3.039	30	40	FGEB	
CCOc1ccc(/C=N/O[C@@H](C)C(=O)N(C)c2ccccc2)cc1OC	14289083	QZQPZGVPRXCIJF-HBBMIWKISA-N	356.422	3.496	30	40	FGEB	
C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccccc1	4943003	PXVUBNJOSDLYEY-UHFFFAOYSA-N	351.410	3.059	30	40	FGEB	
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC#N)c1	7680426	VLOSUIXQHWARPT-UHFFFAOYSA-N	372.446	3.362	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1cccc(F)c1	27299761	FCRYEYJZHPCYOX-UHFFFAOYSA-O	354.380	3.306	30	40	FGEB	
Cc1cc(=NC(=O)N2CCc3c(CC#N)cccc3C2)[nH]n1[C@H](C)C1CC1	585123656	VGSSUBNYVQMBCZ-OAHLLOKOSA-N	363.465	3.241	30	40	FGEB	
N#Cc1cnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1	1776008115	ZGRRLWSTBCDPHA-UHFFFAOYSA-N	361.854	3.049	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)C=CC(=O)[C@]3(C)[C@H]1C2	1772591389	AXKTZQUAUIMSFK-DJBGBVRJSA-N	360.450	3.067	30	40	FGEB	
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1Br	16677458	WBSFXZTVKOZXJL-QTHHDPJYSA-N	373.250	3.289	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)S1	3539584	UHDZWOBMZAKSOZ-MRXNPFEDSA-N	355.463	3.412	30	40	FGEB	
CC(=O)C1=C(O)c2c(cccc2[N+](=O)[O-])/C1=N/c1ccc([N+](=O)[O-])cc1O	102516715	MCXMZVAIRQDQQE-VLGSPTGOSA-N	369.289	3.201	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c([N+](=O)[O-])cc1OC	7744149	ATWRNSMGLCDQKC-BQYQJAHWSA-N	370.361	3.467	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccccn1)c1c([nH]n(-c3ccccc3)c1=O)N2	18195655	GNIHLJSEVQPTSI-SFHVURJKSA-N	358.401	3.125	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1	105182536	NNGBVDMCFAWBHN-SXZWEQPHSA-N	363.461	3.064	30	40	FGEB	
CCOC(=O)c1c(C)c2c(n1C)CC/C(=C/NCCc1ccccc1)C2=O	104154034	XLJAIEAPOWGRFJ-VKAVYKQESA-N	366.461	3.355	30	40	FGEB	
COC(=O)c1ccc2nc(NC=C3C(=O)CC(C)(C)CC3=O)sc2c1	44835308	KBDMKQVZXZKLNS-UHFFFAOYSA-N	358.419	3.337	30	40	FGEB	
COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1O[C@@H](C)C(=O)O	409014247	WTJYEQGZBKLKJI-DQAKUKQTSA-N	356.378	3.256	30	40	FGEB	
COc1cc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc(OC)c1OC	13776843	PWUCRPLPIVIIQA-PXNMLYILSA-N	367.357	3.231	30	40	FGEB	biogenic
CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408719611	ZMZVQIFPQGRZRK-INIZCTEOSA-N	357.391	3.237	30	40	FGEB	
Cc1cccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)c1	409206750	XCQXAMWKTQSRMX-ZHACJKMWSA-N	357.369	3.281	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	4405462	NTVVNWKIXFHPQW-UHFFFAOYSA-N	369.786	3.271	30	40	FGEB	
C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)NCCOC)c1	219783460	JFEFUCMYRDABHT-UHFFFAOYSA-N	368.433	3.270	30	40	FGEB	
Cc1c(Br)c(C(F)(F)F)nn1-c1ccc(C(=O)NO)cc1	217597199	LYTJGBCDQBSITN-UHFFFAOYSA-N	364.121	3.081	30	40	FGEB	
Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1	98045024	OZNPXLACLJORNU-UHFFFAOYSA-N	370.171	3.381	30	40	FGEB	
Cc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1C#N	246257345	KMBYVGSUTALDRP-XJKSGUPXSA-N	362.476	3.079	30	40	FGEB	
Cc1ccccc1-c1ccc(N2CCN(c3ccc(C#N)nc3)CC2)nn1	1888888493	CYLGPHCRIWWLEL-UHFFFAOYSA-N	356.433	3.045	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1O	12347669	XVVAGNRSUNCSEY-AWEZNQCLSA-N	355.394	3.030	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Br)cc2)c1	3373729	ZOTPYMDWIXRMMF-LICLKQGHSA-N	367.268	3.378	30	40	FGEB	
COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)c1	4194090	GGGHRWLMEOPKRN-CQSZACIVSA-N	369.446	3.065	30	40	FGEB	
N#CC1(NC(=O)COC(=O)c2ccccc2C(F)(F)F)CCCCC1	5111371	OAEUIZKGKHHBKV-UHFFFAOYSA-N	354.328	3.205	30	40	FGEB	
CC[C@@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1	6671585	FWJKPDGWSNCZPX-MFKMUULPSA-N	353.875	3.363	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1	4902961	JLMYQPWRMNPTRR-OAHLLOKOSA-N	373.206	3.333	30	40	FGEB	
C=CCOc1ccc(/C=C2/SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1	6080705	NITUGAYYOAGPPJ-LFGHMXSPSA-N	363.460	3.316	30	40	FGEB	
CCOC(=O)c1cccc(N/N=C2\C(=O)N(c3ccccc3)N=C2C)c1	12345952	ZWQFOEOBNXEWBE-FXBPSFAMSA-N	350.378	3.054	30	40	FGEB	
O=C1c2cn[nH]c2N=C(Nc2ccccc2)[C@H]1/N=C\c1ccc([N+](=O)[O-])cc1	104302454	GHXSOKVBPRVLBQ-OBLBUWMUSA-N	374.360	3.144	30	40	FGEB	
C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@H](c1ccco1)C2	9936433	ADLUGYKIBMUSME-CQSZACIVSA-N	363.421	3.383	30	40	FGEB	
C=CCn1c(=O)n(-c2ccccc2)c(=O)c2cc(Br)ccc21	9938710	NVXSWDQKEYHWHQ-UHFFFAOYSA-N	357.207	3.101	30	40	FGEB	
COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CCN2C)cc1	62001467	PIRJNBRFWZXHQU-UHFFFAOYSA-N	353.418	3.424	30	40	FGEB	biogenic
COc1cc(/C=N/n2c(C)nc3c([nH]c4ccc(C)cc43)c2=O)ccc1O	2331909	WBOMCOHETNMULF-UFFVCSGVSA-N	362.389	3.091	30	40	FGEB	
C=CC/N=C1/S[C@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC=C	18192063	WYRCCXRTKOUTNX-QBNCKDSPSA-N	373.478	3.086	30	40	FGEB	
N#Cc1ccccc1CSCCNC(=O)Cc1noc2ccccc12	8350428	GXQIQGHSOSOEOK-UHFFFAOYSA-N	351.431	3.292	30	40	FGEB	
CCN(CC)c1ccc(/C=N/Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1	4158753	FUCBKGZHCZEQRK-KGENOOAVSA-N	362.437	3.124	30	40	FGEB	
N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1	6248008	VSOGASCKYXKAOF-UHFFFAOYSA-N	371.824	3.066	30	40	FGEB	
CCn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1ccccc1	5312159	FVBQJWTZJGUCPL-UHFFFAOYSA-N	355.467	3.010	30	40	FGEB	
COc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(C)cc2)NC1=O	7127098	MBNOCSXZMHRAQO-INIZCTEOSA-N	369.446	3.252	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cc2ccccc2o1	8849569	XDPTVKFUYHOFMC-CQSZACIVSA-N	363.417	3.420	30	40	FGEB	
N#Cc1c(F)cc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1F	549721042	SDENJEGMNOVQPF-CQSZACIVSA-N	369.371	3.044	30	40	FGEB	
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)n[nH]c2C)cc1OC	85879553	KQLZJCRRYFCBSE-CQSZACIVSA-N	360.410	3.082	30	40	FGEB	biogenic
COc1cc(/C=N/Nc2nc(C)cc(C)n2)cc(Br)c1OC	5680564	BWPOSZHYTMVXDK-CAOOACKPSA-N	365.231	3.319	30	40	FGEB	
CC(=O)/C=C/C=C\c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	17175011	RCKPFEXECYJLFV-ORSQMDHMSA-N	368.385	3.130	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2ncc(C#N)c2N1	101483623	RQMVJGOXSDRBHO-IBGZPJMESA-N	371.400	3.388	30	40	FGEB	
CSc1ncccc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1	21679162	LTNCBYJBTOUCIE-AWEZNQCLSA-N	369.446	3.296	30	40	FGEB	
C=CCNC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NCC=C)c1	6906550	SPKPQQOADNPKJC-UHFFFAOYSA-N	358.486	3.127	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1	3258828	UMZNHCSMKZSTIH-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
C=CCn1c(-c2ccc(Cl)cc2)cnc1S[C@H](C)C(=O)NC(N)=O	13135716	OABOJYASVVYMJF-SNVBAGLBSA-N	364.858	3.065	30	40	FGEB	
N#Cc1cccc(OC2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)c1	91442217	KVKOSFRXZOEMNS-FQEVSTJZSA-N	350.418	3.052	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1	14333395	QGEUVTDRFLLKTQ-MOEXGYKKSA-N	361.496	3.183	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC	19229017	DKNSNEPNNNVUAD-GOSISDBHSA-N	355.434	3.472	30	40	FGEB	
C=CCOC(=O)c1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1	73634525	BFSXFBOKBWMEID-UHFFFAOYSA-N	354.313	3.214	30	40	FGEB	
C=CCNC(=S)Nc1nc(C)c(Br)cc1Br	223918305	UKGVLUWRGBEBGO-UHFFFAOYSA-N	365.094	3.387	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1	222435097	AIRWERYZKNQOJF-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	96928003	IUAPANPDPMBIST-HXUWFJFHSA-N	366.417	3.491	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CCC1	11193731	LCKYWGXEZTXWIM-UHFFFAOYSA-N	363.461	3.034	30	40	FGEB	
CN(C)/N=C(\CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	16958527	AOPUDTOSBKIPBX-KEBDBYFISA-N	373.253	3.106	30	40	FGEB	
COCOc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c(O)c1	4277146	LNFDNKLJNRIIKO-XVNBXDOJSA-N	356.374	3.432	30	40	FGEB	
CCOc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1	4119689	VQUXJGJCQHCAOQ-MARXPDLDSA-N	356.344	3.133	30	40	FGEB	
Cc1nc2cc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)ccc2o1	25075100	SVHNZXLOHAEVDN-UHFFFAOYSA-N	374.404	3.239	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1	22509734	GLYUYASJCYQKOW-UHFFFAOYSA-N	352.434	3.336	30	40	FGEB	
COc1ccc2cc(C(=O)NCCNc3cccc(F)c3C#N)[nH]c2c1	58365641	RKRBXLGOBXVXJR-UHFFFAOYSA-N	352.369	3.029	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccccc1OCc1ccccc1)n1nnnc1N2	12915643	XXFBVJFEMVYFKF-HXUWFJFHSA-N	373.416	3.274	30	40	FGEB	
CCOc1ccc(/C=C2\Oc3cc(OCC(=O)OC)ccc3C2=O)cc1	13680814	HHKFDBSJBJVCFL-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
CCc1ccc(/C=N/Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1	6787118	FPWKJSVNBODMNX-KGENOOAVSA-N	372.494	3.265	30	40	FGEB	
C=CCOc1ccc(Br)cc1/C=N\N1C(=O)CSC1=S	409344475	JKQZCMSMBUSAQM-CHHVJCJISA-N	371.281	3.208	30	40	FGEB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(O)c(C(=O)O)c1	409116984	MSONHWQGDQDVKP-MTJSOVHGSA-N	370.405	3.458	30	40	FGEB	
Cc1cc(C(=O)COC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(C)[nH]1	32898957	DVNKZKHVEVJEII-UHFFFAOYSA-N	351.362	3.235	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C(=O)O)cc1	242522226	IMZQXJFNMFHJFV-WSTZPKSXSA-N	369.442	3.092	30	40	FGEB	
CN(C)/C(=N\C(=O)C(F)(F)C(F)(F)OC(F)(F)F)c1ccccc1	5318865	PFQJVLBORFAWJH-NKVSQWTQSA-N	360.229	3.286	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C#N)c1C	5145205	DKBPWXVJNKUWRT-UHFFFAOYSA-N	374.418	3.374	30	40	FGEB	
COc1ccc(/C=N/Nc2ccc3ccccc3n2)c(C(=O)O)c1OC	4869519	ZTFMENFOJOCGHM-RGVLZGJSSA-N	351.362	3.396	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1	8810331	TZCSRJDMPQQBKV-UHFFFAOYSA-N	368.817	3.196	30	40	FGEB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)/N=C(\O)c1ccc(Cl)cc1F	54488528	VHGMBJMOXFORIG-UHFFFAOYSA-N	372.761	3.389	30	40	FGEB	
COc1cc(CNCC#N)cc(Br)c1OCc1cccnc1	22107424	REIZFOKEXLRWLO-UHFFFAOYSA-N	362.227	3.045	30	40	FGEB	
CCCCCCCCCCCCN1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21	100839266	IQAUHVSHMRQVHY-HOTGVXAUSA-N	360.589	3.263	30	40	FGEB	
CN(C)c1ccc(/C=N/OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	3550495	LJHHDMKPLDGXLX-DJKKODMXSA-N	357.366	3.078	30	40	FGEB	
COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1	3902114	VOXOGXLFRUOFBD-IBGZPJMESA-N	355.434	3.153	30	40	FGEB	
Cc1cccc(OCCNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1	8708603	MWDBUOJIIXWTHS-UHFFFAOYSA-N	369.490	3.474	30	40	FGEB	
COc1cc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1	4104685	VHCQVGQULWFQTM-VOTSOKGWSA-N	374.389	3.331	30	40	FGEB	biogenic,in-vitro
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C#N)cc2)n2ncnc2N1	4704180	UFLFPNRPZASQST-SFHVURJKSA-N	356.389	3.077	30	40	FGEB	
COc1ccccc1N(CCC#N)C(=O)COC(=O)c1sccc1C	7814473	HIKRXDWKHJLVBS-UHFFFAOYSA-N	358.419	3.169	30	40	FGEB	
COC(=O)c1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c1	409013831	WEAWDOQLTMNBAW-OEKFUPINSA-N	357.362	3.084	30	40	FGEB	
CCOC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1	218471452	HITWJLUVHAKRPZ-QYZOEREBSA-N	359.422	3.312	30	40	FGEB	
C[C@@]12CC[C@@H]3[C@]4(CCC5=CC(=O)CC[C@]53C(=O)O4)[C@H]1CC[C@H]2C(=O)C1N=N1	254310922	ZTZKAHRXFXPJGF-XDLUYZMFSA-N	368.433	3.155	30	40	FGEB	
COc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1	5000879	NKHQHOXBCHVSBD-UHFFFAOYSA-N	374.400	3.421	30	40	FGEB	
C=CCOc1ccccc1NC(=O)[C@@]1(C)CC(=O)N=C2C=C(C)C=CN21	13996153	OQAQCMICVZSWKG-HXUWFJFHSA-N	351.406	3.053	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccco2)[nH]1	14152362	JEIRFRVWISMRCC-UHFFFAOYSA-N	359.798	3.321	30	40	FGEB	
C=C(C)C[C@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]21O3	100165230	YRCAGXDMMKPGNP-FDQIELQPSA-N	359.809	3.046	30	40	FGEB	
Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)O	78938821	HBWZVKCVPGIMAJ-UHFFFAOYSA-N	350.783	3.019	30	40	FGEB	
N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SC[C@H]1CCCO1	32901597	JANCIOQDTTYTSQ-CQSZACIVSA-N	354.435	3.059	30	40	FGEB	
CCOc1ccc(NC(=S)N/N=C2/C(=O)N(CC)c3ccccc32)cc1	102977305	KHUKTGZEDWVEEL-HEHNFIMWSA-N	368.462	3.143	30	40	FGEB	
CC(C)N1C(=O)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	108150392	NBCMHRLOCSDVGJ-KNTRCKAVSA-N	369.337	3.074	30	40	FGEB	
NC(=S)N/N=C1/[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)[C@H]1CCCC[C@]21O	100644080	CRAJHTZPJNQQPO-CLLUSBBNSA-N	357.523	3.311	30	40	FGEB	
Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1O	13878641	SXOMZDGDHFLVAA-AWQFTUOYSA-N	358.467	3.032	30	40	FGEB	
C=CCNS(=O)(=O)Cc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1	65614426	DSHUBJZORVXFFQ-FMIVXFBMSA-N	370.474	3.252	30	40	FGEB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)c1C	7130694	PYZPASLFWVXLIF-OAHLLOKOSA-N	373.453	3.064	30	40	FGEB	
O=C1C[C@H](/N=C(/O)N2CCC(c3nccs3)CC2)CN1c1ccccc1	328740360	IKKCSYCFTUVBRG-HNNXBMFYSA-N	370.478	3.042	30	40	FGEB	
CCOc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1	2797817	KQEBLBCJWRDZQU-RGVLZGJSSA-N	352.394	3.092	30	40	FGEB	
C/C(O)=C1\C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	102624409	LWGMKCLVPABAJJ-KMPOOHAWSA-N	356.309	3.223	30	40	FGEB	
C#CCN(CC(=O)Nc1cc(OC)cc(OC)c1)[C@H]1CCc2ccccc21	47406027	DQHGSDCTAPBPDM-NRFANRHFSA-N	364.445	3.265	30	40	FGEB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N/N1CCN(C)CC1	3276441	CIDRJMYKJAGJCV-YBFXNURJSA-N	352.269	3.069	30	40	FGEB	
COc1ccc(C2CC(=O)C(=CNCc3ccccc3)C(=O)C2)cc1OC	100433682	KRJPENQSSHLDTA-UHFFFAOYSA-N	365.429	3.393	30	40	FGEB	
Cc1n[nH]c(=O)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1C	72272714	NSFXDNCYFORZQI-UHFFFAOYSA-N	356.451	3.231	30	40	FGEB	
Cc1ccc(-n2ccnc2SCC(=O)N(CCC#N)CCC#N)cc1C	12733436	WEJYVGZHIKGJST-UHFFFAOYSA-N	367.478	3.237	30	40	FGEB	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)c1cc(F)ccc1F	60340388	VWADXJCMLAZGKE-UHFFFAOYSA-N	369.375	3.092	30	40	FGEB	
N#Cc1ccccc1NC(=O)CSc1nnc(NCc2ccco2)s1	14171202	JHTSNZLXJVUORE-UHFFFAOYSA-N	371.447	3.346	30	40	FGEB	
Cc1ccc(/C=N/c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1	4947518	IVSBJGFELDRDFX-KGENOOAVSA-N	372.490	3.383	30	40	FGEB	
CC(C)OC(=O)COc1ccc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1	409187921	VRTJTQXANTVOGN-JMIUGGIZSA-N	357.362	3.171	30	40	FGEB	
N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	218534705	SNQFDMZDBLOTRL-JYJNAYRXSA-N	367.257	3.154	30	40	FGEB	
COc1cc(OC)c(OC)cc1CNc1cc(C#N)cc([N+](=O)[O-])c1C	42109656	VKQSJMVWLZJWCC-UHFFFAOYSA-N	357.366	3.413	30	40	FGEB	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1C	3390860	VHFNAQOCOIWDQG-LBPRGKRZSA-N	367.434	3.375	30	40	FGEB	
N#C[C@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	225667163	BBVPMVVRZBBECS-IKGGRYGDSA-N	363.797	3.128	30	40	FGEB	
N#Cc1ccc(C2(NC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)CCC2)cc1	600087205	IMRUANVMRWNEOR-IBGZPJMESA-N	373.456	3.216	30	40	FGEB	
CCCC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1	3871837	PGGUOGKHUUUWAF-QZTJIDSGSA-N	362.470	3.201	30	40	FGEB	
C=CCOc1ccc(CN(C)c2ccc3nnc(C(F)(F)F)n3n2)cc1	32869489	APIGSAKVQFZBCN-UHFFFAOYSA-N	363.343	3.344	30	40	FGEB	
Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(C#N)cc4)sc3nc12	3910326	OBVYVCPWXLJZEW-UHFFFAOYSA-N	360.398	3.342	30	40	FGEB	
C[C@@H]1CN(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)C[C@@H](C)O1	3346327	OXPAIIITVXIOPY-HZPDHXFCSA-N	350.418	3.240	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1	12907859	HUPQPYSEWHTPNJ-OAHLLOKOSA-N	352.500	3.096	30	40	FGEB	
C#CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1	4498581	GXFUXPCFAHXUDR-JXAWBTAJSA-N	354.475	3.431	30	40	FGEB	
CCC/C(C)=N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1	5408280	JMRFPDABFMUJMN-RNDVCUHJSA-N	366.874	3.432	30	40	FGEB	
C=CCc1cc(/C=N\N2C(=O)CSC2=S)cc(OCC)c1OC	409328496	WMGPPZKCWUNGGT-MFOYZWKCSA-N	350.465	3.017	30	40	FGEB	
O=S(=O)(O[C@H]1CCC[C@@H]2CC[C@H]1O2)c1ccc(Br)cc1	43761613	IZAVBPZBIXFOJK-BNOWGMLFSA-N	361.257	3.255	30	40	FGEB	
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1C1CCN2CC1	585655908	NVXZOPPHMOURKX-UHFFFAOYSA-N	368.487	3.444	30	40	FGEB	
CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccccc1	2624153	AXLJZEASBFPUHB-SFHVURJKSA-N	357.483	3.112	30	40	FGEB	
N#Cc1cc(F)ccc1C(=O)Nc1ccc(CSc2ncn[nH]2)cc1	20611361	KULLCDBFOXCLPA-UHFFFAOYSA-N	353.382	3.360	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc(Cc3ccccc3)o2)CCCCCC1	13010850	DVLDEERMEVWCRK-UHFFFAOYSA-N	370.478	3.485	30	40	FGEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccs1	8996314	SCXGAKMAGUBUJK-UYTDBDHRSA-N	374.462	3.105	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CC1	7981096	QOTBBWZRXASORO-LLVKDONJSA-N	373.438	3.369	30	40	FGEB	
Cc1ccccc1Nc1nc(N)nc(CN(CCC#N)CC2CCC2)n1	72308444	WTHHSFBMQPKTBL-UHFFFAOYSA-N	351.458	3.022	30	40	FGEB	
N#CCc1cccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1	84425325	NHERTBBSKZKDLH-UHFFFAOYSA-N	351.406	3.037	30	40	FGEB	
C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)c1ccccc1	217437632	MHLHWJKHEUZBQC-ZDUSSCGKSA-N	360.435	3.022	30	40	FGEB	
C=CCNS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3	41105699	ZVGITHSLGAAGMQ-UHFFFAOYSA-N	352.253	3.165	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)NCCC)cc1)S(=O)(=O)c1ccccc1	224472298	FGWLULDDMBLDQD-UHFFFAOYSA-N	372.490	3.203	30	40	FGEB	
O=C(C[n+]1nc(-c2ccncc2)n2c1CCC2)c1ccc(Cl)c(Cl)c1	41124524	CTPMKISLUDXQFU-UHFFFAOYSA-N	374.251	3.369	30	40	FGEB	
COc1ccc(/N=C2/S[C@@H](Cc3ccc4c(c3)OCO4)C(=O)N2C)cc1	8091957	IAICOUMATAFZRQ-NRTINQSCSA-N	370.430	3.228	30	40	FGEB	
C#CCOc1ccc(CN2CCC(O)(c3cccc(C)c3)CC2)cc1OC	12344302	YZDSLVVMFQOFGK-UHFFFAOYSA-N	365.473	3.499	30	40	FGEB	
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)on1	40108352	BACGQFZRMKLOKM-UHFFFAOYSA-N	374.444	3.417	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1	3315914	RBALTHNTYFUFPK-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
CC(C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1	2261242	WVCXCGNDUGATII-HNNXBMFYSA-N	352.438	3.426	30	40	FGEB	
COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F	4494068	FPJLMUVKSDXNNS-VIFPVBQESA-N	350.296	3.390	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S	4675273	IWWFVEPYIZYFPO-GXDHUFHOSA-N	372.833	3.413	30	40	FGEB	
CCN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O	5825739	HQDJERXNWMJINZ-MRXNPFEDSA-N	371.437	3.488	30	40	FGEB	
COc1cc(/C=N/Nc2cccc(C(=O)O)c2)cc(Br)c1O	4921982	BRUKVMZDVXSQLA-CAOOACKPSA-N	365.183	3.308	30	40	FGEB	
CNC(=S)N/N=C\c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	32124969	FPPSJPUBDGPICU-ZDLGFXPLSA-N	360.464	3.482	30	40	FGEB	
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	225662963	CWPUUSLREALRNV-SQNIBIBYSA-N	359.834	3.297	30	40	FGEB	
CC(C)c1ncsc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	331320405	LGFKKEVYOZKBKD-MRXNPFEDSA-N	354.479	3.117	30	40	FGEB	
Cc1c(/N=C/c2cccc3c2OCCCO3)c(=O)n(-c2ccccc2)n1C	1063705	MLAVOPLCQVPVME-HYARGMPZSA-N	363.417	3.396	30	40	FGEB	
CCCCCCc1cc2cc(/C(C)=N/NC(N)=S)c(=O)oc2cc1O	13475818	QPRFOIUWODUGJJ-RGVLZGJSSA-N	361.467	3.179	30	40	FGEB	
CSc1ncc(C#N)c(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1	1889191826	YFHORRVPUMBXPN-UHFFFAOYSA-N	362.462	3.359	30	40	FGEB	
COc1c2c(c(C(=O)/C=C/c3ccc(F)cc3)c3c1OCO3)CCN(C)C2	20112595	AQRGDSMHLFQTGK-VMPITWQZSA-N	369.392	3.447	30	40	FGEB	biogenic
C/C(NC(=O)CCn1c(=O)sc2ccccc21)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C	100745861	RQKIJZQSBJWPJR-HATNZBPQSA-N	370.474	3.088	30	40	FGEB	biogenic
CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1	100710836	RBUFIKDCAXIWHP-DOMZBBRYSA-N	355.419	3.392	30	40	FGEB	
C=C(C)CSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1	32103755	PZRTXTRGGGYXML-UHFFFAOYSA-N	360.464	3.046	30	40	FGEB	
N#Cc1cccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1	2645237	PAGKSFONQHKJHN-UHFFFAOYSA-N	364.430	3.459	30	40	FGEB	
CC1=CC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	4837630	QLAPPSIXOBEVQR-JEMRPNOGSA-N	366.373	3.465	30	40	FGEB	
C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@]3(C#N)C[C@@H]1CC[C@@]23C	100867201	IBOQWGXLOPOUKM-JUKXBJQTSA-N	370.365	3.047	30	40	FGEB	
CC(C)CNc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)s1	23226964	JADDAJMTEHKCGA-GFCCVEGCSA-N	367.544	3.429	30	40	FGEB	
CC(C)c1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1COC(C)(C)C2	12324336	SLSXCZBIRQYDFY-UHFFFAOYSA-N	371.481	3.319	30	40	FGEB	
COc1ccc(N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)cc1	3047642	FPTUOTOFFULKDY-UHFFFAOYSA-N	362.355	3.307	30	40	FGEB	
O=C(/C=C/c1ccc(Br)cc1)CN1C(=O)c2ccccc2C1=O	3307890	XHYAQQQLGOJFBA-JXMROGBWSA-N	370.202	3.328	30	40	FGEB	
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1	6009070	AZEJTMSHZYNLRR-AWEZNQCLSA-N	369.446	3.065	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2	9483810	HBTMUKJDSLVJGB-KZULUSFZSA-N	350.353	3.426	30	40	FGEB	
COc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl	409403647	ISEXERMXVFNVSX-TXFQPVFDSA-N	365.216	3.143	30	40	FGEB	
O=C(O)c1ccc(/C=N\NC(=S)Nc2cccc3cccnc23)cc1	33664136	MTBXGJBOFCYGMZ-JAIQZWGSSA-N	350.403	3.254	30	40	FGEB	
CC(C)(CNS(=O)(=O)c1ccc(Cl)cc1C#N)CC(F)(F)F	595419306	XQRQNIAQGLHKOY-UHFFFAOYSA-N	354.781	3.469	30	40	FGEB	
C=CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)no2)c2ccccc21	84124504	JGVSUIOKDDEKAE-ZDUSSCGKSA-N	353.378	3.308	30	40	FGEB	
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)sc2c1CCCC2	4263364	YTXBOYWOCRRNMH-UHFFFAOYSA-N	371.374	3.357	30	40	FGEB	
CSc1nc(C)c(C)c(OCC2CCN(c3ncccc3C#N)CC2)n1	2298060324	MRUHQGBSENZJJV-UHFFFAOYSA-N	369.494	3.377	30	40	FGEB	
COc1cc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2cc1OC	1355179	CSQJIANFDFNURR-UHFFFAOYSA-N	371.462	3.228	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccc(-n3cccc3)c2)n1	6606668	GTGYLMNABCUOAH-MRXNPFEDSA-N	365.414	3.276	30	40	FGEB	
Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1)CCCC3	805447	MCCRKBNBHQBTBK-VXLYETTFSA-N	368.418	3.436	30	40	FGEB	
Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1	42339043	AOLDUWJWNSAVLM-UHFFFAOYSA-N	361.419	3.158	30	40	FGEB	
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nc(N)c32)cc1	12536988	XWTGZJUPAPPTEL-AWEZNQCLSA-N	368.462	3.354	30	40	FGEB	
Cc1nc(-c2ccccc2)nc(SCC(=O)N2CCCCC2)c1C#N	27789329	IBAGPGVPIMTUQK-UHFFFAOYSA-N	352.463	3.428	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)c1cccc(N2CCNC2=O)c1	58201888	PPIFPGUZVMCXIK-UHFFFAOYSA-N	353.397	3.184	30	40	FGEB	
C[C@@H]1CN(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCO1	48319339	KPWFIINYWOUHGX-OAHLLOKOSA-N	351.406	3.390	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2ccc(CN3CCCC3=O)cc2)s1	224064889	IRLJQZWKCKWXEK-UHFFFAOYSA-N	374.491	3.191	30	40	FGEB	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)NO	226290448	FUIYORKNTVUOKY-ZZXKWVIFSA-N	353.128	3.136	30	40	FGEB	
CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(O)c(OC)c3)C2=O)s1	6024754	NOFIMULAYLLEOG-MVLZQLLLSA-N	361.448	3.233	30	40	FGEB	
C=CCn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c2ccccc21	13598535	XACPACAJIKVBKA-ATVHPVEESA-N	353.447	3.130	30	40	FGEB	
Cc1cc(C)n(CN2CCN(C(=O)c3cccs3)CC2)c(=S)c1C#N	23653039	IOWKUNCPGYLYAS-UHFFFAOYSA-N	372.519	3.183	30	40	FGEB	
Cc1ccc(/C=C/C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)s1	12745271	WBYWVZPZTRUPIV-JBVUFVISSA-N	351.475	3.479	30	40	FGEB	
C=CCn1c(SCC(=O)OC(C)C)nc2sc(C)c(C)c2c1=O	2422258	RDBYHRZWDSOUNH-UHFFFAOYSA-N	352.481	3.305	30	40	FGEB	
C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCCC3	13728901	USWHQSKWUPOEGF-UHFFFAOYSA-N	352.419	3.431	30	40	FGEB	
Cc1ccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)cc1C	409340652	ALYLFFLPOXNFRH-UHFFFAOYSA-N	358.401	3.392	30	40	FGEB	
C=CCn1c(SCCC(=O)OCC)nc2sc3c(c2c1=O)CCC3	36644083	XAQPDGYIRNMADR-UHFFFAOYSA-N	364.492	3.178	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1	242495304	FZWCZLYJFXVTEJ-QWFCFKBJSA-N	369.442	3.008	30	40	FGEB	
C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnc2ccccc2n1	16137194	KOKZEVXNRWVCEO-VXLYETTFSA-N	352.310	3.282	30	40	FGEB	
CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccc(Cl)cc1	4369363	CEHLOMWNMIGFNN-FOWTUZBSSA-N	353.813	3.101	30	40	FGEB	
COc1cc(C(=O)N[C@](C)(C#N)C(C)C)cc(OC)c1Br	32765242	AJAUCJVCHRDIOO-OAHLLOKOSA-N	355.232	3.134	30	40	FGEB	
N#Cc1ccccc1N1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1	52801134	HDBDJAYATWYTDB-JOCHJYFZSA-N	374.488	3.090	30	40	FGEB	
CCOC(=O)C(=O)/C=C\[C@@H]1[C@@H](NC(=O)OCc2ccccc2)C=CC[C@H]1C	104245643	DSVLISNTLNSKSI-YKMHILCBSA-N	371.433	3.182	30	40	FGEB	
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O	1837730	AKFNBSVQAHXSNN-UDWIEESQSA-N	355.394	3.192	30	40	FGEB	
Cc1oc(C)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)c1C	48536006	XEMJMXRDFNELRV-UHFFFAOYSA-N	365.407	3.060	30	40	FGEB	
C[C@@]1(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1(Cl)Cl	6901511	MRTAELUACCRKML-ZDUSSCGKSA-N	361.612	3.277	30	40	FGEB	
Cc1cc(=O)[nH]c(N/N=C2/CCCOc3c2ccc(Cl)c3Cl)n1	84114477	BOXNECYBFXWOOI-JAIQZWGSSA-N	353.209	3.374	30	40	FGEB	
N#CC1(C(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)CCCCC1	96003002	UMMMUEKBBLDWKX-CYBMUJFWSA-N	354.376	3.413	30	40	FGEB	
C[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(C#N)cc1	40132959	XTUSETZTPGOSGX-BBRMVZONSA-N	369.856	3.095	30	40	FGEB	
CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NCCCO)c2CO1	20572977	KJXUXOXMYCDAPM-UHFFFAOYSA-N	352.438	3.342	30	40	FGEB	
COC(=O)c1ccc(/N=C2/S/C(=C/c3cccc(O)c3)C(=O)N2C)cc1	101555135	TVIWRSPODUVFFF-KERPIWHLSA-N	368.414	3.413	30	40	FGEB	
CC(=O)c1c(C)nc(SCC(N)=O)c(C#N)c1-c1ccc(Cl)cc1	1000486	CUCBOGIMNBMRTH-UHFFFAOYSA-N	359.838	3.362	30	40	FGEB	
COc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)c1	22608363	MLTQMNRPCWJDGC-MGPLVRAMSA-N	356.451	3.277	30	40	FGEB	
C=CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl	20112684	WNALJBHCAOGBOK-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc(Cl)c1Cl	7814433	UCQXJYLUYBGXAV-UHFFFAOYSA-N	370.261	3.493	30	40	FGEB	
COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1	12481292	RNIUOPPRTMOPAE-UHFFFAOYSA-N	360.417	3.265	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1	72333905	ZXYVFPXYJWWUAU-UHFFFAOYSA-N	362.307	3.050	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C	792892	OHRVVUYWKAWDLX-UVTDQMKNSA-N	362.223	3.308	30	40	FGEB	
CCn1cc(/C=C2/Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21	9423890	SCLVIGXZHCWWQZ-DJKKODMXSA-N	362.385	3.142	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1	24002012	XCARRVPIWMENIX-UHFFFAOYSA-N	371.387	3.118	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)CCc1ccc2ccccc2n1	21432105	WLIILEFYZIFOFG-UHFFFAOYSA-N	365.414	3.282	30	40	FGEB	
Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C\c1ccccc1)O2	37857517	YMXCWUNIQYFHLL-CPNJWEJPSA-N	364.445	3.064	30	40	FGEB	
COc1ccc(S[C@H](C)/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1	48491680	JMEYESDHWKVVLX-LLVKDONJSA-N	370.452	3.126	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(F)cc2c1OCOC2	16669911	VIUULNQCSUKYBF-GFCCVEGCSA-N	357.337	3.075	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N2c3ccccc3CC[C@H]2C)cs1	9953091	BCPLDLPMPFJWKQ-CYBMUJFWSA-N	371.462	3.266	30	40	FGEB	
C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1	1776007477	FTYMNZBAXCWWPI-GDBMZVCRSA-N	370.258	3.020	30	40	FGEB	
N#Cc1ccc(CO/N=C(/N)c2ccc(OCc3cccnc3)cc2)cc1	60197220	DRWHWIBLKUOAJY-UHFFFAOYSA-N	358.401	3.369	30	40	FGEB	
Cc1nc(C(=O)N[C@@H](C#N)c2ccccc2F)nn1-c1ccc(Cl)cc1	108799347	SQSWOUATFOEMOD-INIZCTEOSA-N	369.787	3.363	30	40	FGEB	
COc1ccc(Br)cc1/C=N/N=C1/C(=O)Nc2ccccc21	1036702	KSSSNBLTTBRENS-GIJQJNRQSA-N	358.195	3.233	30	40	FGEB	
CCCCOC1(NS(=O)(=O)c2ccc(F)cc2)C(C)=CC(=O)C=C1C	16779569	WISMFZVIDCAEQV-UHFFFAOYSA-N	367.442	3.092	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccccc2Br)c1	33044026	SYDHFAPWAHBINH-LICLKQGHSA-N	367.268	3.378	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccnc1	40382585	CFEGVHSLUKAGBM-ZDUSSCGKSA-N	374.425	3.052	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	8810172	ZGLFLCMDYKVEFL-UHFFFAOYSA-N	368.817	3.196	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)N(CC=C)C(C)=C2C(=O)OC)cc1OC	4153369	YFGGDZDIYUIGAT-VBKFSLOCSA-N	369.417	3.119	30	40	FGEB	
Cc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1Cl	13712514	YPUCXGMKFTYSSD-QOCHGBHMSA-N	369.852	3.406	30	40	FGEB	
COc1ccc(/C=N/N=C2/C[C@H](c3ccccc3)Cc3n[nH]c(=O)cc32)cc1	4350907	AXLLPXUFZZJCLN-UBHYXHJJSA-N	372.428	3.332	30	40	FGEB	
COc1ccc2c(c1)CC/C2=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	5352038	GFCMSVPOKIDLGZ-FBMGVBCBSA-N	371.305	3.019	30	40	FGEB	
C=CCN(C(=O)CSc1nc2ccsc2c(=O)n1C)c1ccccc1	14159814	VYQHCQLVPASTSI-UHFFFAOYSA-N	371.487	3.306	30	40	FGEB	
N#C[C@@H](c1ccccc1)N1CCN(C(=O)/C=C/c2nc3ccccc3o2)CC1	14254963	PFLKVHZWIXLQNX-VYENPZKTSA-N	372.428	3.250	30	40	FGEB	
CCOc1ccc(CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1OC	14920079	RTZKVXIEHDGYAN-UHFFFAOYSA-N	373.497	3.211	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	6909251	COBDMRJRQMBSGP-UHFFFAOYSA-N	367.818	3.065	30	40	FGEB	
COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1C#N	113834623	DLJJCXLWHVQJSA-RQZCQDPDSA-N	366.398	3.470	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1	34854019	NHQSANTVXMNNBG-UHFFFAOYSA-N	360.870	3.034	30	40	FGEB	
N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1	622760755	DZIKIUPLDILSQU-MNOVXSKESA-N	358.257	3.339	30	40	FGEB	
N#Cc1cncc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c1	1651701667	CVWKZPVVOCXEJO-HNNXBMFYSA-N	352.375	3.141	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc3ccccc23)S1	3539586	UHDZWOBMZAKSOZ-INIZCTEOSA-N	355.463	3.412	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(Cl)cc1	2701905	VPAIBTZSUPCDGJ-HNNXBMFYSA-N	362.838	3.329	30	40	FGEB	
Cc1cccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)c1	113480715	XKSVWSNBVIVDMB-INIZCTEOSA-N	364.430	3.309	30	40	FGEB	
N#CC1(NC(=O)c2cccc(I)c2)CCCCC1	40215333	NQTQTVTZXOKCGY-UHFFFAOYSA-N	354.191	3.247	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1ccco1	795008	GWCVOIPNOZSQEZ-SJCJKPOMSA-N	371.364	3.176	30	40	FGEB	
COc1ccc([C@]2(C)NC(=O)N(/N=C/c3ccc(Cl)cc3)C2=O)cc1	8408063	NFDWZYQMRLMDSZ-PQFHHTBUSA-N	357.797	3.150	30	40	FGEB	
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccccc2Cl)cc1	4452664	FRIXHMZJWMLNMD-FOWTUZBSSA-N	367.840	3.410	30	40	FGEB	
C#Cc1cncc(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c1	1125244730	SYXRYOCHPMBESS-UHFFFAOYSA-N	355.825	3.354	30	40	FGEB	
C=CCC(CC=C)C(=O)N1CCOC[C@H]1CNC(=O)C(CC)(CC)CC	1775992536	RFEIUTJCLPTAJU-GOSISDBHSA-N	364.530	3.315	30	40	FGEB	
CC1(CNC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CCOCC1	1776007524	JJWSSGXDYVKGEJ-UHFFFAOYSA-N	366.311	3.071	30	40	FGEB	
CCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C	53307198	CLUKTPNKSRYTBE-LBPRGKRZSA-N	352.504	3.284	30	40	FGEB	
COc1ccc([C@H]2CCCN2CC(=O)NC2(C#N)CCCCC2)cc1OC	45004602	HVRYEOWJOWPTFT-QGZVFWFLSA-N	371.481	3.183	30	40	FGEB	
C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)N(C)C1(C#N)CCCCC1	14093712	WFUSNUMEUHJBNT-LLVKDONJSA-N	365.528	3.278	30	40	FGEB	
O=C1[C@@H](/C=N/OCc2ccc(Cl)cc2Cl)CCN1c1ncccn1	5380374	MXMHGDBPNGSPRY-CPOBKIPGSA-N	365.220	3.339	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(F)cc2)cc1	19138067	JMIUOJBTPRJPRP-SCLBCKFNSA-N	369.392	3.093	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN(C)Cc2ccco2)n(Cc2ccco2)c1C	7607036	HJMILHRDFYZTRV-UHFFFAOYSA-N	366.421	3.281	30	40	FGEB	
COC(=O)c1cccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c1C	409238920	OLFHKVDKAIRNNP-HYARGMPZSA-N	368.433	3.377	30	40	FGEB	
Cc1nccc(CCC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n1	557176485	PGNKJFXRJPLAME-UHFFFAOYSA-N	359.389	3.415	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@@H](C)C2)cc1	225858669	CYOKJTCTDJLMFF-MRXNPFEDSA-N	350.466	3.100	30	40	FGEB	
C[C@H](/N=C(O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O	82070955	JJXSLXXACNKCRL-AVMBBCFPSA-N	362.769	3.134	30	40	FGEB	
COCCn1c(SCc2ccc(C#N)cc2)nc2ccccc2c1=O	5016041	AAVBMASBBJIIMW-UHFFFAOYSA-N	351.431	3.207	30	40	FGEB	
COc1ccc(/N=C2/S[C@H](CC(=O)O)C(=O)N2c2ccccc2)cc1	5513500	AOCGSBJUHTZSIB-AMGRQBIBSA-N	356.403	3.306	30	40	FGEB	
COc1cc(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc(OC)c1	2661030	GUDJQMOWWZQQQT-FNORWQNLSA-N	368.389	3.267	30	40	FGEB	
CCOC(=O)N1CCN(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)CC1	2789770	MNIAINJIRJWGEA-ONEGZZNKSA-N	357.237	3.464	30	40	FGEB	
Cc1ccccc1NC(=O)C[C@H]1S/C(=N\Cc2ccccc2)NC1=O	4980141	XBVOETKMOAKPGP-MRXNPFEDSA-N	353.447	3.111	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(OC)cc2)n1	33325173	GSSXCIWQBVBYRX-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
N#CCSCC(=O)NCc1ccc(CN2CCc3ccccc32)cc1	27590384	YWOUMJALKHOWIY-UHFFFAOYSA-N	351.475	3.122	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C#N)cc2)nc1	7049660	IPQXBOGAEXVLEB-UHFFFAOYSA-N	361.492	3.276	30	40	FGEB	
COC(=O)c1cc2ccccc2cc1OC(=O)COc1ccc(C#N)cc1	7793570	SLFJOUURDYICDG-UHFFFAOYSA-N	361.353	3.482	30	40	FGEB	
CN(C)c1nc(N/N=C/c2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1	408720656	BJNMZGOZIWMCRC-SRZZPIQSSA-N	369.379	3.405	30	40	FGEB	
Cc1ccc(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1	409232978	CQYBMRJKMJOEEF-HMAPJEAMSA-N	352.434	3.292	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225005494	ZMNKHRNJWXNRIZ-UHFFFAOYSA-N	357.391	3.042	30	40	FGEB	
COc1cc2c(cc1S(=O)(=O)Nc1ccc(CC#N)cc1)CCCC2	223043303	GBSSXUOQTNQVOD-UHFFFAOYSA-N	356.447	3.441	30	40	FGEB	
C=C(C)C[C@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	4237654	YRCAGXDMMKPGNP-RUEZSYAVSA-N	359.809	3.046	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2	12390240	LTQNTTATCWNBHZ-APPDUMDISA-N	364.361	3.348	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)/C=C/[C@H]2CC=C(O)[C@@H](OC)C2)ccc1O	100100206	CRCHRNHFHJDFAA-IVJGNVHPSA-N	372.417	3.365	30	40	FGEB	in-vitro
Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)c(C)c1	100841909	YIALRJNDQZGGJO-SFQUDFHCSA-N	368.252	3.159	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	102863855	DIVBFZJDJYQMDC-GROYHEBESA-N	371.820	3.408	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nnc1C1CC1	103064373	XBUFTGNYLLIPRO-XNISGKROSA-N	360.527	3.375	30	40	FGEB	
CCCOc1ccc(/C=C2\NC(C)=C(C(=O)OCC)C2=O)cc1OCC	33922329	PZZACAMOZZZOOA-PTNGSMBKSA-N	359.422	3.224	30	40	FGEB	
C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)C1CC1	36390251	FBFGSQSFTYXCBD-KXBFYZLASA-N	354.479	3.242	30	40	FGEB	
CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1	4331855	IVLGKJIHODPOHY-HNNXBMFYSA-N	358.438	3.362	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nnc(C)n1-c1cccc(C)c1	14094027	AARCFYWYNJMEBB-UHFFFAOYSA-N	356.495	3.284	30	40	FGEB	
CN(C(=O)c1ccc(C#N)cc1)c1ccccc1C(=O)NCc1ccco1	9544787	FHGRMOWHOLZFHL-UHFFFAOYSA-N	359.385	3.358	30	40	FGEB	
CN(C)c1oc(/C=N\c2ccc(O)c(C(=O)O)c2)cc1Br	408850908	GGIOCBHMQPNHBH-APSNUPSMSA-N	353.172	3.263	30	40	FGEB	
C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2	224830534	CHRDGEWUASPVOM-UHFFFAOYSA-N	359.447	3.402	30	40	FGEB	
C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(C)c1	224651160	DHWCHIKMZHJSNK-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
N#Cc1ccc(N[C@H]2CC[C@H](NC(=O)c3ccoc3)CC2)c([N+](=O)[O-])c1	1775986887	NUNODIULYUOTAL-SHTZXODSSA-N	354.366	3.213	30	40	FGEB	
COc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1OC	2269696	HXODFNDUVFEWIK-LSHDLFTRSA-N	362.389	3.086	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	8321762	NAHLEFZTOYQJLT-VGOFMYFVSA-N	359.447	3.232	30	40	FGEB	
N#Cc1ccsc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	14626540	ANYAIIHQTAOSDH-UHFFFAOYSA-N	357.410	3.250	30	40	FGEB	
COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1OCCCC#N	51188065	CHWPDVJGPDIEFB-GHTZIAJQSA-N	352.434	3.126	30	40	FGEB	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O	6546671	XKWQYVMRAZUOGI-LJQANCHMSA-N	371.343	3.127	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)CCC3)cc1Cl	7887804	CWXSDNNMABCGJS-UHFFFAOYSA-N	354.793	3.496	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1	103511937	HWCIEFUVZHUVAW-GOSISDBHSA-N	355.825	3.495	30	40	FGEB	
CC1=CC(=O)[C@@H]2[C@@H](/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2CC1	100707887	QLAPPSIXOBEVQR-MDMLWCIRSA-N	366.373	3.465	30	40	FGEB	
COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1	3260581	AZCTXHXKBGHHKL-RUDMXATFSA-N	370.792	3.415	30	40	FGEB	
Cc1ccc(N/C(N)=N/c2nc(=O)c3ccc(C(F)(F)F)cc3[nH]2)cc1	6908789	ZLBMLJHJLVVUPL-UHFFFAOYSA-N	361.327	3.309	30	40	FGEB	
CNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	21722069	ZNZXNIXJCHAYFV-HXUWFJFHSA-N	367.474	3.474	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1	252514254	BKQLFPNIVKCSPT-RCCFBDPRSA-N	361.850	3.436	30	40	FGEB	
COc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccccc2)cc1Cl	169886973	VJFQRCSRVPSJRR-RQZCQDPDSA-N	359.234	3.314	30	40	FGEB	
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)O)c3)c(=O)c2c1	20762143	AYSSBNXAMCRRAC-UHFFFAOYSA-N	350.374	3.347	30	40	FGEB	biogenic
COc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1	1354690	FPSMQBZVCKQZQQ-ZDUSSCGKSA-N	355.463	3.466	30	40	FGEB	
C=C(Cl)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12	12512081	TVQZGJJCFAKUDH-UHFFFAOYSA-N	368.842	3.077	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C(=O)Nc1cccc(C)c1)[N+](C)(C)CC3)OCO2	1825799	NBTKCXGKZIRSIK-SFHVURJKSA-O	369.441	3.045	30	40	FGEB	biogenic
C=C1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@H]1C(=O)Nc1ccc(OC)cc1	13138443	KOCYPWMJMMKXKE-HDICACEKSA-N	352.390	3.083	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1ncnc2sc3c(c12)CCC3	6112470	GKVKQIIROGFKNS-KRWDZBQOSA-N	360.508	3.327	30	40	FGEB	
COc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)c1	22608359	MLTQMNRPCWJDGC-HWPZZCPQSA-N	356.451	3.277	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(Cl)c3)C2=O)cc1	408529906	DKDQWJZAFPSETE-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
CCc1nnc(S)n1/N=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	36463951	ZNMRGYYQWOCCBA-RQZCQDPDSA-N	373.394	3.188	30	40	FGEB	
CN(CC(=O)Nc1cccc2ccccc12)c1ncc([N+](=O)[O-])cc1C#N	32806263	JANBDIVICLMZHC-UHFFFAOYSA-N	361.361	3.090	30	40	FGEB	
C=CCN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)/C=C/c1ccccc1	95951393	GHNBLHPFOAKAGG-MBQNMEIASA-N	358.482	3.216	30	40	FGEB	
CCCCCCCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1OC	97946576	LLUIXFFZBCWRTG-SFQUDFHCSA-N	373.478	3.057	30	40	FGEB	
C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)N=N1	1775988821	KSXZBWYURWSVKW-QYZOEREBSA-N	351.450	3.373	30	40	FGEB	
CC(=O)N[C@]1(c2nc(C)cs2)CCN(c2ccc(Cl)cc2C#N)C1	548006471	ZCVNDICOTLQTDC-QGZVFWFLSA-N	360.870	3.218	30	40	FGEB	
Cc1ccc(S(=O)(=O)O[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1	5059930	HJGRODODJPAHKG-QGZVFWFLSA-N	359.447	3.005	30	40	FGEB	
Cc1cccc(N2CCN([C@H](C)C(=O)Nc3sccc3C#N)CC2)c1C	57323222	RBJBERLRECQBFS-MRXNPFEDSA-N	368.506	3.386	30	40	FGEB	
N#C/N=C(/Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O	113481638	PEJSHLTWPUBAHY-OAHLLOKOSA-N	350.403	3.001	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc([N+](=O)[O-])cc1	18195593	XUJFTPFGYIQOMN-ZDUSSCGKSA-N	354.366	3.224	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc(F)c(F)cc2Cl)n1	7985670	RINGITQVSXLMRX-VIFPVBQESA-N	370.764	3.416	30	40	FGEB	
CCOc1nc(N)c(C#N)c(-c2ccc(OC)c(Br)c2)c1C#N	19862855	DLHFYGUSSZRUKK-UHFFFAOYSA-N	373.210	3.244	30	40	FGEB	
N#Cc1ccccc1COc1ccc(CO)cc1I	34772793	QZAZESKGNMWQQN-UHFFFAOYSA-N	365.170	3.234	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCCC(C)C)c1	12912171	KFXFOIBLIHKHDF-OAHLLOKOSA-N	352.500	3.096	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cn([C@H](C)CC)c3ccccc23)C(=O)NC1=S	15013117	JMTZEFVIHVQALI-YYTPVVGHSA-N	367.474	3.425	30	40	FGEB	
C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](CC)C(=O)O)C1=O	2700877	ZCTWILHAPLRSOF-XTCQQWIJSA-N	363.460	3.316	30	40	FGEB	
N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CCCC2	3616142	RFHJSDQJLOQQHQ-UHFFFAOYSA-N	351.475	3.283	30	40	FGEB	
COc1ccc(OC)c([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1	100790987	UBYSQTHXKDIULH-OAHLLOKOSA-N	364.353	3.068	30	40	FGEB	biogenic
CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccccc2C)s1	32891700	FOSOOHDUCKYEER-UHFFFAOYSA-N	352.441	3.159	30	40	FGEB	
COc1ccc(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)cc1OC	3136463	VKZSJKGYVQEPNA-UHFFFAOYSA-N	365.201	3.407	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1	408709918	ZKAYNZIUUXEWBY-UHFFFAOYSA-N	368.433	3.294	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C	12910251	OTFIGKICQTVGKJ-LIRRHRJNSA-N	371.868	3.398	30	40	FGEB	
Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	13001841	DTJWBOMUPORTJD-UHFFFAOYSA-N	368.400	3.397	30	40	FGEB	
N#Cc1c(-c2ccccc2)nc(SCc2ccc(C(=O)O)cc2)[nH]c1=O	4226863	DALBJAQPFUGPCJ-UHFFFAOYSA-N	363.398	3.299	30	40	FGEB	
C=CCOc1ccc(CN(C)S(=O)(=O)Cc2ccc(C#N)cc2)cc1	8939601	QEQFUOSSHZFQFE-UHFFFAOYSA-N	356.447	3.085	30	40	FGEB	
Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	16311438	ABMVNAXEULXRCJ-HNNXBMFYSA-N	371.322	3.480	30	40	FGEB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\CCc2ccccc2C1=O	8054401	MCQHTUZIEFFDDW-ABPVARSCSA-N	370.474	3.072	30	40	FGEB	
N#Cc1cccnc1N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	95999541	WPQKMNUZLRVKTE-QGZVFWFLSA-N	372.432	3.313	30	40	FGEB	
CS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(Br)cc1	95097893	KUUYUUANKGZKFF-UHFFFAOYSA-N	369.265	3.075	30	40	FGEB	
C=CCOC[C@@H]1CCC[C@]12CN(C(=O)c1ccc3[nH]ccc3c1)CCO2	253377241	WLZJXYFTJBNARI-RXVVDRJESA-N	354.450	3.382	30	40	FGEB	
CCOC(=O)Nc1ccc2c(c1)/C(=N\NC(=S)NC)c1ccccc1-2	5080654	SKBPEKGVHJOCDR-PGMHBOJBSA-N	354.435	3.082	30	40	FGEB	
COc1c2c(c(C(=O)/C=C/c3cccc(F)c3)c3c1OCO3)CCN(C)C2	20112748	NHYQJJNBOLBLGL-VOTSOKGWSA-N	369.392	3.447	30	40	FGEB	biogenic
Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)cc1	102609677	UWOLXZPGOLLWRL-GROYHEBESA-N	371.820	3.062	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1	4828060	LTAYNXXJJJGMTI-UHFFFAOYSA-N	356.353	3.304	30	40	FGEB	
Cc1cc([C@H](C#N)C(=O)c2cc(Cl)c3c(c2)OCCCO3)nc(C)n1	41562650	MGNVRFBFSHZJDF-ZDUSSCGKSA-N	357.797	3.398	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1	12549676	KOPOQLFHWCUUQL-CVEARBPZSA-N	360.417	3.389	30	40	FGEB	
CC(C)CC[C@H]1C[C@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	1901544	KMBZCPJMECMRIE-SUMWQHHRSA-N	369.279	3.064	30	40	FGEB	
COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(C)cc2)cc1	2373328	SZGMXLSDOBLWRJ-YOPNLDQXSA-N	353.447	3.469	30	40	FGEB	
O=C(O)c1ccccc1N/N=C\c1c(O)c(C(=O)O)cc2ccccc12	16121575	GMYNDHZNKNQKQH-JMIUGGIZSA-N	350.330	3.388	30	40	FGEB	
C=CCN1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCC)C1=O	33345697	FFKATIJCJIMSRZ-SSZFMOIBSA-N	353.422	3.337	30	40	FGEB	
C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408880592	JZENJIUBGIBSMD-LGMDPLHJSA-N	364.426	3.083	30	40	FGEB	
C=CCn1c(CCCC)nnc1S[C@H](C)C(=O)Nc1nccs1	408560410	HUANYXYNHJTXLV-LLVKDONJSA-N	351.501	3.383	30	40	FGEB	
CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	218470130	XZIFXFOCGAOULE-GBESFXJTSA-N	359.422	3.312	30	40	FGEB	
CN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1cccc(C(=O)O)c1	33293529	WCKCEHPECMKBDU-PPVAIKJXSA-N	354.387	3.324	30	40	FGEB	
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1	224203893	RWAFWNZHBXGBOD-UHFFFAOYSA-N	358.463	3.044	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccccc1	11859764	VWYNGOPJBIYBRN-PIVKVMHHSA-N	372.471	3.368	30	40	FGEB	
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/NS(=O)(=O)c2ccccc2)o1	15145050	OSUOVQQYGUYEJB-LDADJPATSA-N	371.374	3.167	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@@H]2c1cccc2nccnc12	12389655	FRYQRNCQXUSVKC-MRXNPFEDSA-N	362.393	3.235	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(nc[nH]c1=O)O2	226760685	DHYADWUDHWARAR-CYBMUJFWSA-N	373.206	3.064	30	40	FGEB	
C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccccc1)N1CCOCC1	40067644	NRRZKJSQDNKPTL-OXJNMPFZSA-N	364.449	3.142	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nc2ccccc2c1=O	2624250	YMFPVPHUUDHXEP-CQSZACIVSA-N	357.479	3.076	30	40	FGEB	
CCOc1ccc(/C=N/c2cn(C)nc2C(=O)NCc2ccco2)cc1	2797679	IYTMODRUUDOTGJ-RGVLZGJSSA-N	352.394	3.092	30	40	FGEB	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CO/N=C/C(=O)Nc2ccccc2)C1	102793739	TVJLFOBVVBQITQ-TVZYQXFDSA-N	357.454	3.055	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N	23642340	URLNUSAFUGXGOV-LBPRGKRZSA-N	351.435	3.143	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(SCc2ccccc2C#N)nc1	12543133	MHJXVBDKPLJODH-UHFFFAOYSA-N	361.492	3.276	30	40	FGEB	
C#C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C3(C[C@H]2C1)OCCO3	118915170	MQTQESZYELRKMR-PMDVZJNISA-N	372.505	3.316	30	40	FGEB	
CCOc1cccc(/C=N/c2sc3c(c2C(=O)OC)CCN(C)C3)c1O	1816262	SKLUYDQOAVLSOK-KEBDBYFISA-N	374.462	3.378	30	40	FGEB	
C[C@@H](CC#N)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1	58263822	ZLVZPIPMPJWSNK-LBPRGKRZSA-N	350.260	3.402	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@H](C)O[C@@H](C)C1	13133159	JCHMFMSWRWHRFI-YKWKTNTMSA-N	374.268	3.391	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3cccc4cccnc34)CC2)nc1	25282682	IJQDJKZYSGKCDC-UHFFFAOYSA-N	357.417	3.357	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cccc(OC(F)F)c2)n1	6606065	UVODKWMJCLHCLG-GFCCVEGCSA-N	366.345	3.086	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCCC2	5754039	UQBBINVIENLBIA-UHFFFAOYSA-N	358.394	3.433	30	40	FGEB	
CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CCCC1=O)N2	5860945	NWWPGHUQZAQIFC-AWEZNQCLSA-N	368.462	3.230	30	40	FGEB	
C/N=C(/N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccs1	71843648	GVLWCWJRMUVDTC-ZDUSSCGKSA-N	357.479	3.133	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	95101420	RITXGICQKPODOR-RBUKOAKNSA-N	373.372	3.381	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccc(Cl)cc3)C2=O)c1	408535310	NNVFTWIIHIYUTA-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
N#C[C@@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218640820	VKISBDCRJLMINS-IXDOHACOSA-N	363.797	3.128	30	40	FGEB	
CCc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)cc1	256046340	FJGWKJZWKAQGGQ-UHFFFAOYSA-N	372.476	3.024	30	40	FGEB	
Cc1c(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(C#N)n1C	2632915	LAQWKFOLGHYFCW-NVNXTCNLSA-N	370.206	3.312	30	40	FGEB	
Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccco2)s1	102735932	HQKKDZDHBYBPGY-OWRWYXLESA-N	373.415	3.127	30	40	FGEB	
N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCCC1)OCO3	4849200	DLUHIORHNZQLBC-UHFFFAOYSA-N	369.446	3.330	30	40	FGEB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSCCO)c2C#N)C1	6323086	WEGHEIVYPBFBCL-LLVKDONJSA-N	352.525	3.435	30	40	FGEB	
CN1CCN(CC#C[C@]2(C)CC[C@@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1	22456032	SVAGWPUEXZOYPV-KJXAQDMKSA-N	368.521	3.335	30	40	FGEB	biogenic
C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C)(C)C)nc21	719015	RGUFCKOVFFZZGA-UHFFFAOYSA-N	355.467	3.172	30	40	FGEB	
N#Cc1ccc(OCCn2cnc3sc4c(c3c2=O)CCCC4)cc1	22984753	HJKVJQJVMBDUAB-UHFFFAOYSA-N	351.431	3.287	30	40	FGEB	
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O	36185699	LSWVUZGRBMDGMB-LJQANCHMSA-N	369.808	3.058	30	40	FGEB	
CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OCCOC	4296184	QAOLPEURHSRIRZ-OAHLLOKOSA-N	370.453	3.053	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1	6353481	KXPFVQCUWATUQF-GOSISDBHSA-N	366.845	3.095	30	40	FGEB	
C=CCn1c(C)nn(CN2CCCc3cc(C(=O)N(C)C)ccc32)c1=S	65603794	FZFLEOBPMDYAGJ-UHFFFAOYSA-N	371.510	3.021	30	40	FGEB	
Cc1cc(N/N=C/c2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1	4795147	BHSMSFKPMMJYGP-CPNJWEJPSA-N	367.434	3.032	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(F)cc2)cc1	19138048	JMIUOJBTPRJPRP-ACJLOTCBSA-N	369.392	3.093	30	40	FGEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccco1	6785334	ZPNWIFBOYGYYQL-UYTDBDHRSA-N	374.462	3.105	30	40	FGEB	
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO	118917952	QREPSQOWKKIPJJ-OHIZPDRYSA-N	360.494	3.057	30	40	FGEB	
CC1(C)Oc2ccccc2[C@@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@@H]21	20111589	MXGIYHZVIKLRKE-RCZSKKKRSA-N	355.478	3.420	30	40	FGEB	
CCc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408743085	ZDRNETOPHNVGJS-DDLUMYACSA-N	351.431	3.015	30	40	FGEB	
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1	32422864	SZLNUUNKGBGREX-AWEZNQCLSA-N	359.447	3.146	30	40	FGEB	
C[C@H]1CCCN(S(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)C1	1775977269	XMMBJXPQWKCROX-NSHDSACASA-N	365.842	3.287	30	40	FGEB	
CC1(C)[C@H](C(=O)O)CC[C@@]1(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	675031131	XBTQQBVOXKLBPH-DRDNLOFWSA-N	364.358	3.428	30	40	FGEB	
C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C(=O)N1C	15227062	BXHBJZDWBPEEER-DNCSRFGUSA-N	350.447	3.498	30	40	FGEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1	1857777806	RJTDWMKVQUPGSY-CCXLZGIPSA-N	356.462	3.341	30	40	FGEB	
CNC1=Nc2ccc(Cl)cc2[C@]2(c3ccccc3)N(C1)OC(=O)N2C	3594121	LVMMOOFHGDXCHR-SFHVURJKSA-N	356.813	3.103	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)c3cccc(OC)c3)c3n2CCC3)cc1	13776848	CRRAQQWAKKSHDG-UHFFFAOYSA-N	363.437	3.289	30	40	FGEB	
O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1	13726973	ZJISVNMLJORHFX-SMLKNPDNSA-N	364.401	3.029	30	40	FGEB	
COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c1	5262085	DRFOZZIQAXWTKL-UHFFFAOYSA-N	355.463	3.188	30	40	FGEB	
CCc1nc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[nH]c(=O)c1C#N	5239017	FAEFTHHNARJCCG-CYBMUJFWSA-N	370.478	3.249	30	40	FGEB	
Cc1cc(=O)c(/C(O)=N/C[C@@H](C)N2CCc3sccc3C2)cn1C1CC1	329248378	SLIFPBHZGRAWMU-CQSZACIVSA-N	371.506	3.305	30	40	FGEB	
CC1=C/C(=N\OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(C(C)C)=CC1=O	16779857	HTESIBYZJWBEEQ-OBGWFSINSA-N	373.321	3.127	30	40	FGEB	
CN(c1ncc(Cl)cn1)C1CCN(Cc2ccc(C#N)cc2F)CC1	1849464627	GDOHVDOTQNXSTH-UHFFFAOYSA-N	359.836	3.242	30	40	FGEB	
N#CC1(C(=O)N2CCC3(CC2)CCN(c2ccsc2)C3=O)CCCC1	1565544718	OSHBJMQJTDZNTO-UHFFFAOYSA-N	357.479	3.178	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1cccc(Cl)c1	40286228	MPODJJLWBAQXPE-INIZCTEOSA-N	370.840	3.294	30	40	FGEB	
N#Cc1cccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1	2624632	NMKIHJGGDPUABF-UHFFFAOYSA-N	355.703	3.031	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1	2636525	IHXNRZYOLZKOQC-UHFFFAOYSA-N	359.179	3.116	30	40	FGEB	
C/C(=N\OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1sc(C)nc1C	42115309	UTTCYENJTMVTQJ-VCHYOVAHSA-N	363.395	3.475	30	40	FGEB	
C=CCN(Cc1cc(=O)n2nc(C)sc2n1)Cc1ccc(Cl)s1	43272893	ZNYHKFGCTDWECK-UHFFFAOYSA-N	366.899	3.363	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)cc1	1304947	JYITUTIUAGZZFP-GOSISDBHSA-N	368.364	3.273	30	40	FGEB	
C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(F)c(F)c1	12855862	JJRWQNSFMWRHSN-NSHDSACASA-N	372.327	3.245	30	40	FGEB	
COC(=O)c1ccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)cc1	12873098	DPURBDTVFSHBFR-NVMNQCDNSA-N	352.342	3.057	30	40	FGEB	biogenic
Cc1c(C#N)c2nc3ccccc3n2c(=O)/c1=C/Nc1cccc(Cl)c1	13233501	LUSBRHSWTGDKKV-LFIBNONCSA-N	360.804	3.250	30	40	FGEB	
Cc1cc(C)nc(N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)n1	6425460	JRDSNLRXRKQYAM-LYBHJNIJSA-N	357.417	3.456	30	40	FGEB	
N#Cc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1Cl	8012888	XPVLHPXMNUJGJU-UHFFFAOYSA-N	352.781	3.019	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1	16996438	JMDYAOGLQQSGAS-UHFFFAOYSA-N	359.432	3.483	30	40	FGEB	
CCN(CC)C(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2	20573516	LYASVCLOWCQWCU-UHFFFAOYSA-N	372.538	3.393	30	40	FGEB	
N#Cc1cccc(C2(NC(=O)[C@@H]3[C@H]4Cc5ccccc5[C@H]43)CCOCC2)c1	600097734	FKKDXPYURRELBV-PWRODBHTSA-N	358.441	3.266	30	40	FGEB	
Cc1sc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c1C	14257828	HWSQBMOALBKPOJ-UHFFFAOYSA-N	360.420	3.272	30	40	FGEB	
CC1(C)CC(=O)C(=CNc2cc(Cl)ccc2N2CCOCC2)C(=O)C1	29002530	GDVLXPFOIQJDAA-UHFFFAOYSA-N	362.857	3.431	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nnnn32)cc1	9660411	LAIASUJDSCEHFO-MGPUTAFESA-N	373.416	3.097	30	40	FGEB	
C=CCn1/c(=N/C(=O)c2ccco2)sc2cc(C(=O)OCC)ccc21	100874108	KOHBZFZKLVVOKZ-HNENSFHCSA-N	356.403	3.400	30	40	FGEB	
COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(O)cc3)C(=O)N2C)cc1	100260532	YDDMSELNGRKDKD-NIPZQEADSA-N	368.414	3.413	30	40	FGEB	
CCOc1ccc(C(=O)C[N+]2(CCc3ccccc3)CCOCC2)cc1	1595207	FTEKPFICXSFCFV-UHFFFAOYSA-N	354.470	3.358	30	40	FGEB	
Cc1c(NCc2ccc(CN3CCOCC3)cc2)cc(C#N)cc1[N+](=O)[O-]	42110083	DHEYOIYWHXKGLP-UHFFFAOYSA-N	366.421	3.219	30	40	FGEB	
COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C#N)c1C	2233798	FMWZQKFUZXRURN-UHFFFAOYSA-N	359.363	3.184	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cnnn2)cc1	12812717	AQNMHVIQGBFCJA-UHFFFAOYSA-N	359.842	3.206	30	40	FGEB	
C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(C#N)cc1	5400886	RQZWKUNWEPBJPX-NSHDSACASA-N	353.451	3.481	30	40	FGEB	
Cc1cccc(OCC[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1	6566215	UAJMYQRJJYLQDZ-OAHLLOKOSA-N	352.390	3.314	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S	4723741	BIEQZOPTCLIHKN-SDNWHVSQSA-N	370.455	3.244	30	40	FGEB	
CN1C(=O)/C(=C\c2cc(Br)ccc2OCC#N)SC1=S	15009546	NOVRYABFIRSIAT-YRNVUSSQSA-N	369.265	3.182	30	40	FGEB	
N#C[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2	218178540	PWULOKMHANZEPC-XOKHGSTOSA-N	361.806	3.148	30	40	FGEB	
CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnnn1-c1ccccc1	2205594	HDIUVRMPDDINJX-KNTRCKAVSA-N	352.423	3.077	30	40	FGEB	
C/C(O)=C1/C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(C(C)C)cc1	101152723	ZQYWRDRYFHRWOR-NZCCEVMUSA-N	367.449	3.381	30	40	FGEB	
CCCCN1C(=O)CC[C@@H](/C(O)=N/c2ncn[nH]2)[C@H]1c1ccccc1OC	23140852	ZPAIJNGVIZDHSU-RHSMWYFYSA-N	371.441	3.181	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(F)cc1	2463626	LBGMOYSSTRWFTA-XHDPSFHLSA-N	360.410	3.204	30	40	FGEB	
Cc1cc(S[C@@H](C)C(=O)NC2CC2)n2c(nc3ccccc32)c1C#N	4269731	HGTYYVAMMHMACK-LBPRGKRZSA-N	350.447	3.427	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccco1	409141166	HDJONLVVKIQVBZ-UHFFFAOYSA-N	373.368	3.399	30	40	FGEB	
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C#N)c(N)c12	409063327	KPEUCYYNYPAXDZ-UHFFFAOYSA-N	352.419	3.457	30	40	FGEB	
O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ncnc3sc4c(c23)CCC4)c1	34107264	OXNAUMJGLMYEBP-FBCYGCLPSA-N	355.379	3.240	30	40	FGEB	
Cc1c(Cl)cnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c1C#N	1775959419	VIZHBPVAJGTOND-RISCZKNCSA-N	358.833	3.243	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)CC(C)C)C2	585107458	WLKOQYVKWGKZFF-OAQYLSRUSA-N	350.466	3.352	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4N=C3C2)c(OC)c1	17073324	NSNSPKYGGGYVFT-KKXDTOCCSA-N	354.450	3.390	30	40	FGEB	
Cc1ccc2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2c1C	4092453	WEIPHBJBWVKGBS-INIZCTEOSA-N	355.463	3.111	30	40	FGEB	
N/C(=N/OCc1cc2c(cc1Br)OCCO2)c1cccs1	54888299	IPUKIGGYROEVML-UHFFFAOYSA-N	369.240	3.119	30	40	FGEB	
Cc1nn(CC(=O)N(c2ccccc2)C2CCCCC2)c(=O)c(C#N)c1C	12876136	BXEWLISSZPOCKU-UHFFFAOYSA-N	364.449	3.098	30	40	FGEB	
CN(C)/C=C(\C(=O)c1ccc(F)cc1)c1nnnn1-c1ccc(Cl)cc1	4452648	FVRQEHMRBBMPKC-LFIBNONCSA-N	371.803	3.240	30	40	FGEB	
CC(C)Oc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1	5451794	VBQGARDXXOOOQX-INIZCTEOSA-N	360.417	3.341	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2cccc(Cl)c2Cl)[nH]n1	5625933	VQVWXFCXSMVLIA-OMCISZLKSA-N	353.238	3.454	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	694957	BEBWHSRJJYOXFZ-WJDWOHSUSA-N	353.241	3.152	30	40	FGEB	
CC(=O)Oc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1	24091709	XOSPBUZLDPCYJP-XLNRJJMWSA-N	351.450	3.154	30	40	FGEB	
CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1	3395653	QUPRJUCOBFNEBB-UHFFFAOYSA-N	365.499	3.312	30	40	FGEB	
CCOc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)cc1	2388935	QIFXHFGLPGBPKE-UHFFFAOYSA-N	351.435	3.222	30	40	FGEB	
COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)c1	5583123	YILLPEGJZZBMGR-DHDCSXOGSA-N	355.375	3.495	30	40	FGEB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/n3cnnc3)c2C)sc(C)c1C	408911682	BYPBXDBQDSBYLN-ODCIPOBUSA-N	371.466	3.423	30	40	FGEB	
O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccccc1O	409138082	ZSNCMNHDLSFGBC-ZROIWOOFSA-N	358.806	3.446	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1	12886682	KUYFXCDULWEEHX-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccc(-c3ccccc3)cc2)n1	13683900	PWIXYBHTQMQRBX-YDZHTSKRSA-N	374.473	3.298	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1	19088020	FRQHKTUZOLVJJE-SFHVURJKSA-N	350.374	3.288	30	40	FGEB	
Cc1nnc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1N	4596810	MPPVGLRXTIABTF-CNHKJKLMSA-N	351.197	3.313	30	40	FGEB	
CNC(=S)N/N=C(/C)CCCCCCCC/C(C)=N/NC(=S)NC	4916664	WVKDQIOSPPCJBV-LRVMPXQBSA-N	372.608	3.047	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2ccccc2c1=O	5019398	ODPJNRGQFAPMIC-OAHLLOKOSA-N	371.506	3.466	30	40	FGEB	
C/C(=N\OC(=O)c1ccccc1I)c1cccnc1	4612044	LOWJTPZTGFQOAQ-LICLKQGHSA-N	366.158	3.267	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(F)cc2)o1	254819380	JPCGWOYOTGHICZ-DSIZOQBWSA-N	350.349	3.227	30	40	FGEB	
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1	6386265	BMMKJTQSUCFGAZ-VCHYOVAHSA-N	372.406	3.274	30	40	FGEB	
C=CCNC(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1	1888989779	FSFVHSIUIQBEIP-UHFFFAOYSA-N	374.448	3.162	30	40	FGEB	
CC[C@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1	32447104	ACTCETAPZYREKZ-JOCHJYFZSA-N	361.489	3.444	30	40	FGEB	
CC1CCN(C(=O)[C@H]2CCCN(c3oc(C(C)(C)C)nc3C#N)C2)CC1	41156637	SGMHOSWDPBWQLR-HNNXBMFYSA-N	358.486	3.319	30	40	FGEB	
CCOC(=O)N[C@H](n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)F	3218526	VHEQBFDSJUEERM-SSDOTTSWSA-N	369.212	3.299	30	40	FGEB	
COc1cccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCCO3)c1	7988000	FKBLQEBEHMRPTK-UDWIEESQSA-N	357.435	3.177	30	40	FGEB	
COC(=O)c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1	980685	JNOIDOJIMCVXOE-UFFVCSGVSA-N	367.430	3.006	30	40	FGEB	
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1	100975362	BXJCJGSWZUGVAD-RUNIHZNKSA-N	374.487	3.376	30	40	FGEB	
COc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(C)cc3)o2)cc1	27663259	ANGVHWMPWNOHLT-UHFFFAOYSA-N	354.387	3.363	30	40	FGEB	
COC(=O)c1cccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)c1C	409241857	OZDMVSIEPMWJGL-SRRANQMSSA-N	371.389	3.393	30	40	FGEB	
Cc1c(OC(=O)N(C)C)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O	6167240	LHDOZMSRDLUYKB-MFOYZWKCSA-N	367.357	3.400	30	40	FGEB	biogenic
O=[N+]([O-])c1cc2c(cc1/C=N/n1c(-c3ccccc3)n[nH]c1=S)OCO2	5647963	RMGAOSOUCVYZNR-CAOOACKPSA-N	369.362	3.127	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1	7790062	ZYVIJIPGBGFLHM-DJJJIMSYSA-N	373.478	3.215	30	40	FGEB	
N#CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1	7905427	KGXKIHLVOJKHLQ-UHFFFAOYSA-N	353.451	3.287	30	40	FGEB	
CS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2SCCC#N)c1	95953570	VGAGIBTXYDAJJY-UHFFFAOYSA-N	374.487	3.489	30	40	FGEB	
C=CCN(c1ccc(C(=O)Nc2cccc(COC)c2)cc1)S(C)(=O)=O	223924788	MEGAIQQGDMCNGB-UHFFFAOYSA-N	374.462	3.037	30	40	FGEB	
C=CCNC(=S)NNc1ncnc2cc(-c3ccc(OC)cc3)sc12	19797150	GEOWFCOHONPDTN-UHFFFAOYSA-N	371.491	3.344	30	40	FGEB	
Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N	13095633	AFAJCVMVCAIRJU-MRXNPFEDSA-N	364.449	3.073	30	40	FGEB	
CCS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1	10253086	HBWFCXSJCPUVPF-UHFFFAOYSA-N	374.487	3.083	30	40	FGEB	
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(Cl)ccc2F)CC1	40087064	ZUMDCNRUOQWTPA-UHFFFAOYSA-N	374.803	3.179	30	40	FGEB	
COC(=O)[C@@](O)(c1ccc(/N=C/c2ccccc2O)c(C)c1)C(F)(F)F	100274267	BUFOEPKGQDRIRP-KQFRHJRUSA-N	367.323	3.374	30	40	FGEB	
CCOC(=O)N[C@@H](n1ccnc1)C(F)(F)C(F)(F)C(F)(F)C(F)F	3218527	VHEQBFDSJUEERM-ZETCQYMHSA-N	369.212	3.299	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1	102861126	MSLPXDXYTOWURN-LFVOPCPISA-N	365.429	3.453	30	40	FGEB	
N#Cc1ccc(CNC(=O)c2cnn(-c3ccccc3Cl)c2)c(F)c1	105586145	XEJVPDBXGYJDOB-UHFFFAOYSA-N	354.772	3.466	30	40	FGEB	
C=CCn1c(-c2ccc(Cl)cc2)cnc1S[C@@H](C)C(=O)NC(N)=O	13135717	OABOJYASVVYMJF-JTQLQIEISA-N	364.858	3.065	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1	19315229	CUBFDZOYQBNDSA-GOSISDBHSA-N	355.434	3.472	30	40	FGEB	biogenic,in-vitro
Cc1cc(C)c(C#N)c(SCC(=O)c2cc(C)n(-c3nnc[nH]3)c2C)n1	8231149	WRHJWENOJYEFKJ-UHFFFAOYSA-N	366.450	3.071	30	40	FGEB	
N#Cc1ccc(N2CC[C@H](Sc3ncnc4ccsc34)C2=O)cc1	73867359	YPGIHNFTNDEGMH-AWEZNQCLSA-N	352.444	3.461	30	40	FGEB	
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(C)cc1	408890289	QWTSYMRPTXMHJW-AWQFTUOYSA-N	363.870	3.403	30	40	FGEB	
N#C[C@@]1(C=O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218636437	BBVPMVVRZBBECS-IXDOHACOSA-N	363.797	3.128	30	40	FGEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1	225103619	RTCSTAHTAPDBTL-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
N#Cc1cc(N2CCC[C@H](F)C2)cc(N2CCC[C@@H](F)C2)c1[N+](=O)[O-]	584086715	YMRBHGXNFDCCQJ-UONOGXRCSA-N	350.369	3.343	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/C[C@@H]2CCCN3CCCC[C@@H]23)c2c(c1)COCO2	17610792	LCQLZWUKIDJILB-LKERYGQTSA-N	359.426	3.145	30	40	FGEB	
COc1cc(-c2c(C#N)c(N)nc3c2C[C@@H](C)CC3)cc(OC)c1OC	20533439	IXPZUVBNXOBOEB-NSHDSACASA-N	353.422	3.353	30	40	FGEB	
C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12	1326058	XKZKLBJRDSPLEL-GFCCVEGCSA-N	353.451	3.187	30	40	FGEB	
Cc1cccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1	4945704	TUFOJCIOTPGJNV-UHFFFAOYSA-N	371.443	3.206	30	40	FGEB	
CCCCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OCC	3524758	VHMVBPPREUFUER-JCOOBLOPSA-N	372.417	3.492	30	40	FGEB	
C#CCNC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	65564872	IVPNPNOYNHJVQG-ZDUSSCGKSA-N	355.825	3.142	30	40	FGEB	
CCN(C(=O)COC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1	9800315	CZQZHIZZSZKWSH-JLHYYAGUSA-N	364.401	3.198	30	40	FGEB	
Cc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C	409249303	NDLWHGDASFAJGW-HYARGMPZSA-N	352.434	3.292	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N\c3cccc(Cl)c3)C(=O)NC2=S)cc1	408765743	NPCFXKJDIVJNMG-RKQRPNFGSA-N	371.849	3.415	30	40	FGEB	
C=C(C)COc1ccccc1CN1[C@H]2CC[C@@H]1CC(O)(c1nccn1C)C2	12117026	CZZSSOBOLRIRDT-QIDMFYOTSA-N	367.493	3.390	30	40	FGEB	
CCOCCC/N=C(/S)NCCNc1nc2c(C)cccc2cc1C#N	13477743	WDSURKQHPYEBAU-UHFFFAOYSA-N	371.510	3.129	30	40	FGEB	
O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1	20650700	DPVAVNWEWMCGKA-JMIUGGIZSA-N	371.396	3.445	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1	33325169	ZQQQKANRRVNZOH-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
C[C@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1(Cl)Cl	3232931	OQENRONDEWGWIO-CYBMUJFWSA-N	361.612	3.277	30	40	FGEB	
Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCCCCC2)n1	65101763	NNGAZVVGKYQPBT-UHFFFAOYSA-N	365.437	3.055	30	40	FGEB	
COC(=O)c1sc(N/N=C/c2ccc(Br)cc2)nc1C	4422495	WNBBAOUKWJUFEG-VIZOYTHASA-N	354.229	3.447	30	40	FGEB	
Cc1ccc(C)c([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1	14170304	ZIWCMNRIZPXEEY-MRXNPFEDSA-N	351.450	3.290	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C)cc3C)C(=O)NC2=S)cc1	408764419	RZAHNEKBLIWLCK-XYHOIZSOSA-N	365.458	3.378	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218449986	STTNTPUHXVNITG-QYZOEREBSA-N	359.422	3.230	30	40	FGEB	
C=CCCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	522612978	YAUCZVWZZAGXNA-UHFFFAOYSA-N	351.453	3.086	30	40	FGEB	
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@H]1C(=O)O	253535741	VNEWQJPVNZRHHG-QCOVJDFSSA-N	362.441	3.304	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCC(Cn3cnc4ccccc4c3=O)CC2)n1	1889152077	YHNFTIBLKMSHEL-UHFFFAOYSA-N	373.460	3.197	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1	2660106	UFRPHYHUACWCFM-UHFFFAOYSA-N	354.753	3.279	30	40	FGEB	
CC(C)(C#N)NC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	77027438	QWHGGTJPTKRALB-UHFFFAOYSA-N	355.398	3.167	30	40	FGEB	
C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc3ccccc3c1)CC(=O)N2	4944288	QTVOUMIWBZSHME-OAHLLOKOSA-N	361.426	3.123	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1	10336484	OZLRYZDZSAQAEG-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
N#CCCN(Cc1ccco1)C[C@H](O)CO[C@@H]1CCCc2ccccc21	25702846	FZJZRABWKIDSBU-GHTZIAJQSA-N	354.450	3.450	30	40	FGEB	
CN(C)c1oc(/C=N/Cc2ccc(C(=O)O)cc2)cc1Br	59104901	DEVJBHGQDXONOE-RQZCQDPDSA-N	351.200	3.425	30	40	FGEB	
COC(=O)C(C(=O)CSc1nc(C)cs1)=C1Nc2ccccc2N1	12817847	ATLYYEMCZOLGPW-UHFFFAOYSA-N	361.448	3.035	30	40	FGEB	
Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)n1C	4947933	FFWSWTXDMUBJPZ-GFCCVEGCSA-N	367.434	3.375	30	40	FGEB	
C=CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C	8323746	JYERNCXXTTXWEY-CQSZACIVSA-N	354.328	3.405	30	40	FGEB	
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OCC	409079785	LTDHMRUXJJGKCT-LFIBNONCSA-N	374.462	3.319	30	40	FGEB	
Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408875156	GMDVOCMJPSFQNW-REZTVBANSA-N	362.798	3.369	30	40	FGEB	
C=CCOc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O	409346341	KOWWIONSJIFNBM-UHFFFAOYSA-N	355.781	3.203	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1	33691959	NGIWWDBOCVMSOS-CIAFOILYSA-N	357.479	3.401	30	40	FGEB	
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC	223049187	IGCBEBIYNXJSOF-HXUWFJFHSA-N	350.462	3.339	30	40	FGEB	
CCCCCCCNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1	98045236	RIXDITLAUOYTHC-UHFFFAOYSA-N	359.514	3.202	30	40	FGEB	
CC1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)C(C)=C(Br)C1=O	939523	IOYRXXSNZCQVEK-GHRIWEEISA-N	368.252	3.323	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@@H]4CCC[C@@H](C)[C@H]4C)CN3)nc2c1	16994363	UVJAURJSRPJZJF-SPYBWZPUSA-N	366.513	3.469	30	40	FGEB	
N#Cc1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCC2	1518560	SGRIWUXCMMSDCT-UHFFFAOYSA-N	365.414	3.014	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C#N)C1	4275224	HDYNHIOTLMGZKO-UHFFFAOYSA-N	353.447	3.096	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@](O)(CC(C)=O)c2cc(C)ccc21	4987881	FMODDTRRFLAJTN-QFIPXVFZSA-N	365.429	3.273	30	40	FGEB	
COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC	884970	ONAAQGGLABTFDA-UHFFFAOYSA-N	353.418	3.405	30	40	FGEB	
C[C@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	900591	HCYXJDLNWMBUHZ-WRWORJQWSA-N	366.759	3.066	30	40	FGEB	
CCN(CC)c1ccc(/C=N/OCC(=O)N2CCc3ccccc32)cc1	3311534	NUESVXTVYSENTR-PXLXIMEGSA-N	351.450	3.473	30	40	FGEB	
N/C(=N\C[C@@H]1CCCO1)SCc1cc(=O)oc2cc3c(cc12)CCC3	19672817	XOPGRDRFQZLHKA-HNNXBMFYSA-N	358.463	3.009	30	40	FGEB	
COc1ccc(N=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3O)S2)cc1	408964496	HHPWHPLYXSZXNO-NTEUORMPSA-N	371.374	3.201	30	40	FGEB	
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc2ncccc2c1	253372534	FSDOJDMOPZEXAH-SXLOBPIMSA-N	352.434	3.057	30	40	FGEB	
C=CCn1ncc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1C	12187408	AVJAGZDFVRVQON-IBGZPJMESA-N	369.465	3.287	30	40	FGEB	
C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cs1	10133232	QSLKSEDUXUMNOU-NSHDSACASA-N	373.434	3.128	30	40	FGEB	
Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1	2339266	LKTQVOUZZGGVKY-UHFFFAOYSA-N	351.391	3.043	30	40	FGEB	aggregator
COc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1	2414827	BEQIWVSJHWBFOV-UHFFFAOYSA-N	350.378	3.141	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(OC)c1	6342208	FQNXHRCYRCVIDR-FPYGCLRLSA-N	353.418	3.437	30	40	FGEB	
COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cccc(C#N)c1)CC2	5423445	SMGRHYZXMNYFGJ-AWEZNQCLSA-N	365.433	3.133	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	6855960	DPIFVKRPBWTVAU-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2CC(C)C)cc1	97020519	JVKHTMFARPFZOD-IBGZPJMESA-N	372.513	3.234	30	40	FGEB	
Cc1nnc(S)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	408861805	DEUITUDOMUZJQI-REZTVBANSA-N	362.798	3.369	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	225659462	VPNHDICAGDPECL-OKZBNKHCSA-N	359.834	3.297	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)c1ccccc1Br	90610361	XWCHNMBVDDMWES-UHFFFAOYSA-N	374.234	3.270	30	40	FGEB	
N#Cc1ccc(Cn2cc(Nc3ncncc3Br)cn2)cc1	1187390726	IECLTRJUEJFCMN-UHFFFAOYSA-N	355.199	3.099	30	40	FGEB	
CC(C)[C@@H](C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1)C(=O)O	17128622	ABMZXLFWSNGJPU-FNFFHQHPSA-N	364.358	3.428	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1cccs1	11859813	ZTWVFDVLFZHIJM-DVRQTUGZSA-N	368.461	3.022	30	40	FGEB	
COc1ccccc1[C@H]1O[C@@]23CCCC[C@@H]2C(C#N)(C#N)[C@]1(C#N)C(=N)O3	6166171	SQOKEPRIYFHPFR-YAJHFMINSA-N	362.389	3.204	30	40	FGEB	
CC1CCN(c2cc(SCC(=O)Nc3ccc(C#N)cc3)ncn2)CC1	57505559	HRVOIGDFBAACGH-UHFFFAOYSA-N	367.478	3.315	30	40	FGEB	
C=CCNC(=O)Nc1ccc(NC(=O)c2ccccc2-n2cccn2)cc1	48332213	CSQKRNSZVAFCTD-UHFFFAOYSA-N	361.405	3.432	30	40	FGEB	
COc1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3ccccc3C)S2)cc1	13382035	ZMAFHOLZYIUUKU-SYERDGIWSA-N	353.447	3.168	30	40	FGEB	
CC(C)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1	5563529	ZWNNWORCPCVLLP-VXLYETTFSA-N	352.467	3.451	30	40	FGEB	
Cc1cc2occ(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c2cc1C	5628020	OKZJPIPCNFJPBC-FQEVSTJZSA-N	356.422	3.190	30	40	FGEB	
Cc1ccc2c(c1)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2C	5602477	GFPPYEULFMVOQM-NXVVXOECSA-N	367.405	3.372	30	40	FGEB	
C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O	409142017	KVSIDDAJHBVHLW-COOUDCDJSA-N	362.426	3.273	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCO)cc1	9331568	JGDJPSWHMCYWFE-KRWDZBQOSA-N	371.820	3.219	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1	30863075	HIGRHCDJURLUAS-LJQANCHMSA-N	368.433	3.407	30	40	FGEB	
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	218566427	TZOXLYWSBQZBJQ-RCCFBDPRSA-N	360.866	3.063	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1	78549929	WKOKUGNSIMEFML-SFHVURJKSA-N	369.392	3.441	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	2335452	KVAYXWMQDQPTCC-LDADJPATSA-N	363.417	3.050	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc2c1=O	784856	DTZXFUVSJWFOFC-UHFFFAOYSA-N	369.421	3.452	30	40	FGEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1	104133081	GNAIVINKTNHTSE-UYTDBDHRSA-N	357.793	3.400	30	40	FGEB	
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)O)c1	3226361	UYDNWXSTSZAZJT-UHFFFAOYSA-N	351.811	3.420	30	40	FGEB	
C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(O)cc1	101153908	KNDZPVLEJYFMGY-VAWYXSNFSA-N	350.374	3.148	30	40	FGEB	
CCCCn1nc(C(=O)Nc2ccccc2SCCC#N)ccc1=O	95953505	PFWXASGUISBUNH-UHFFFAOYSA-N	356.451	3.301	30	40	FGEB	
C=CCc1cc(/C=N\NC(=S)NCc2ccccc2)cc(OC)c1O	409213212	STQVGBRTVGZWOM-BKUYFWCQSA-N	355.463	3.128	30	40	FGEB	
CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCCC3)NC2=O)cc1	21132957	RAOKRDRILRARHP-INIZCTEOSA-N	373.478	3.138	30	40	FGEB	
CCCOc1ccc(Br)cc1/C=N\N1C(=O)CSC1=S	409351094	ZJUDVMHIAIDXBR-CHHVJCJISA-N	373.297	3.432	30	40	FGEB	
CN(C)c1ccc(/C=C2/CNC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	17176781	PQXIGFCAMSKVHL-LRVMPXQBSA-N	361.489	3.458	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)N2CCCC2)nnc1-c1ccccc1OC	5131416	CRQFTUGGORRZFT-CQSZACIVSA-N	372.494	3.243	30	40	FGEB	
C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(C#N)cc1	40132957	XTUSETZTPGOSGX-CZUORRHYSA-N	369.856	3.095	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1	57289949	KSGRGKMRKBGSCV-UHFFFAOYSA-N	372.831	3.111	30	40	FGEB	
CCOc1ccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)cc1	57524820	ZGYBHIVDANTZOI-OAHLLOKOSA-N	354.406	3.423	30	40	FGEB	
C=CCc1cc(C(=O)NC[C@H]2COc3ccccc3O2)cc(OC)c1OC	26855351	MSLJRDNHHGVYID-INIZCTEOSA-N	369.417	3.002	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(O)cc3)c2C#N)C1	6566584	BASPMAMBCGQWQO-LLVKDONJSA-N	370.430	3.246	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCC2)c(C)c1	8528838	HLJHCSXYLLHJRA-UHFFFAOYSA-N	365.433	3.493	30	40	FGEB	
N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2C[C@@H]2CCCO2)CC1	585100521	LWUYDHDIFDIFNU-UGKGYDQZSA-N	367.493	3.198	30	40	FGEB	
Cc1cc(S(=O)(=O)Nc2ccccc2C#N)ccc1Br	7056956	LSKVQRYPSNUDBQ-UHFFFAOYSA-N	351.225	3.430	30	40	FGEB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	12656766	WQGCFNGITAJFSI-AYBZRNKSSA-N	373.449	3.484	30	40	FGEB	
CCNC(=S)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	6387073	CLFCEYOMVHRODQ-FSJBWODESA-N	361.474	3.379	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1	3580113	KCDOZAQMUHZDPZ-UHFFFAOYSA-N	356.476	3.390	30	40	FGEB	
O=C1CC2(CCCCC2)CC(=O)C1=CNC[C@@H]1COc2ccccc2O1	103840844	UXLKGKNPJYQCLN-OAHLLOKOSA-N	355.434	3.182	30	40	FGEB	
CCOCCCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccncc1	12526725	CCJVDUVHOYZGFQ-UHFFFAOYSA-N	366.450	3.185	30	40	FGEB	
COc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1OC(F)F	58193157	ITWOVBHOKIWOAC-UHFFFAOYSA-N	350.321	3.446	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc(C)c(C)c3)C(=O)NC2=S)cc1	408759617	IAOPYZZWODNDRU-QREGZJMFSA-N	365.458	3.378	30	40	FGEB	
COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cc(F)ccc2F)cc1	48471173	XSGIWLQDUJACPY-SNVBAGLBSA-N	371.361	3.086	30	40	FGEB	
CCOc1ccc2c(c1)C=C(/C(O)=N/S(=O)(=O)c1cccs1)CO2	48450225	GJRAPRUQTSWMLD-UHFFFAOYSA-N	365.432	3.268	30	40	FGEB	
O=[N+]([O-])c1ccccc1/N=C1\NN=C(c2ccc3c(c2)OCO3)CS1	8710829	OMTCDWLQTCKDRI-UHFFFAOYSA-N	356.363	3.052	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CC1	9390060	XWAOZFCHBLCXHH-UHFFFAOYSA-N	350.394	3.351	30	40	FGEB	
Cc1noc([C@H]2CCCN(C(O)=Nc3csc(-c4ccccn4)n3)C2)n1	329245290	AEEYAKLPUFYENF-LBPRGKRZSA-N	370.438	3.322	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)Nc1nonc1N2	12409838	MBSQDMRLTZIKEX-CYBMUJFWSA-N	361.199	3.418	30	40	FGEB	
CC[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	100975045	ZJALZBDGUMIJME-HEWTWTGNSA-N	366.508	3.418	30	40	FGEB	
CN1/C(=C\C(=O)Cn2cnc3sccc3c2=O)C(C)(C)c2ccccc21	32736623	FKJJSTPCFFPQES-YVLHZVERSA-N	365.458	3.339	30	40	FGEB	
C=C(C)C(=O)OCCc1c(C)c2cc3c4c(c2oc1=O)CCCN4CCC3	1322199	XGRWLSXPAVVBJV-UHFFFAOYSA-N	367.445	3.462	30	40	FGEB	biogenic
COc1cc([C@@H](C#N)NC(=O)CCc2ccccc2F)cc(OC)c1OC	58213337	LRDFXILGMNAOMS-MRXNPFEDSA-N	372.396	3.165	30	40	FGEB	
Cc1nc(SCC(=O)NCCOc2ccccc2)c(C#N)c(C)c1C	8728001	NHBFGGLSISEBLB-UHFFFAOYSA-N	355.463	3.166	30	40	FGEB	
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	19315265	ANXLXAWIQUBQCG-GOSISDBHSA-N	369.417	3.336	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1C	6850905	DQOSXZVDYJRNPW-UHFFFAOYSA-N	360.479	3.103	30	40	FGEB	
CSc1nc(NCCOC(C)=O)c(C#N)c(-c2ccc(Cl)cc2)n1	19794142	YHLPLQVEWKTNNJ-UHFFFAOYSA-N	362.842	3.366	30	40	FGEB	
CN(Cc1ccc(Cl)s1)C(=O)CON=C1CCC2(CC1)OCCO2	95360947	FQANOLKSSMNECA-UHFFFAOYSA-N	372.874	3.050	30	40	FGEB	
CC(C)N(CC#CCNS(=O)(=O)c1ccc2ccccc2c1)C(C)C	75164556	GZIWNZBTIKUVHL-UHFFFAOYSA-N	358.507	3.240	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N[C@H]1CC(=O)N(c3cccc(OC)c3)C1)C2	253589355	BJTDBGROHRUMTD-PONJGIIJSA-N	368.477	3.299	30	40	FGEB	
Cc1ccc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccco3)n2)cc1	18219284	NWPWTLDIAUEXNU-UHFFFAOYSA-N	366.402	3.353	30	40	FGEB	
COc1cccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)c1OC	58405425	UTLOLIOWIWZKNY-UHFFFAOYSA-N	373.789	3.190	30	40	FGEB	
C=CCOc1ccc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409403691	APBXNAOKSQUTET-MWDDYTRKSA-N	356.809	3.046	30	40	FGEB	
CC(C)CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3ccccn3)cc2C1=O	6831231	XRGIOSXNAHRDMB-QGZVFWFLSA-N	361.401	3.214	30	40	FGEB	
C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1ccc(C#N)cc1	8075496	ZHAQKGOVJMGVMX-UHFFFAOYSA-N	351.358	3.301	30	40	FGEB	
C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)C)n3)cc21	19820163	HULFTSWRBIVWEZ-UHFFFAOYSA-N	357.435	3.316	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccccc2O)C(=O)N(c2ccccc2)C1=S	408729906	KRZMWUGCNZGXCH-DTQAZKPQSA-N	364.426	3.122	30	40	FGEB	
Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1	216776701	TWTYPLKDERUECH-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCCCC2)c1	225859566	MNBXLYTWYVJPNZ-UHFFFAOYSA-N	350.466	3.244	30	40	FGEB	
CCCN1CCN(c2nc(SC)c(C#N)c3c2COC(C)(C)C3)CC1	95473804	OVODCBOIKYFXQQ-UHFFFAOYSA-N	360.527	3.058	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)c3cccc4c3CCCN4)CC2)OC1(C)C	1776007474	FQGPYDLKEWZCQZ-UHFFFAOYSA-N	368.286	3.448	30	40	FGEB	
Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1ccc(C#N)cn1	609908643	ONWHVUDYNIAGRW-UHFFFAOYSA-N	365.393	3.006	30	40	FGEB	
Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](C)S/C2=N\c2ccccc2)cc1	18080702	UHYNFNRDDARRTI-XAGMJWQQSA-N	360.460	3.335	30	40	FGEB	
C=C(C)CN1CCN(C(=O)c2ccc3c(c2)nnn3C2CCCCC2)CC1	57811666	KAYQCNZRACRPGE-UHFFFAOYSA-N	367.497	3.270	30	40	FGEB	
C[n+]1ccccc1[C@H]1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	17722829	WOJYSKMQJAIHRX-PTJLRZKYSA-N	370.389	3.453	30	40	FGEB	
Cc1nn(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)c(=O)c(C#N)c1C	7442379	KIUWFZHIXIYXTA-UHFFFAOYSA-N	374.444	3.081	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1	7790058	ZYVIJIPGBGFLHM-ORAYPTAESA-N	373.478	3.215	30	40	FGEB	
N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1	16523794	LERIORMGZWOGGC-AWEZNQCLSA-N	357.295	3.171	30	40	FGEB	
CN(C)c1ccc(NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cn1	1776007475	FQQBOLUKPDDMMH-UHFFFAOYSA-N	374.294	3.238	30	40	FGEB	
CC(C)[C@H](C#N)NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	95966817	FKQSPJACZBBCQX-HNNXBMFYSA-N	361.804	3.407	30	40	FGEB	
C=C(C)COC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC	16246731	UTIYVKQJRRNPBT-UHFFFAOYSA-N	365.385	3.224	30	40	FGEB	
C=CCNC(=O)Nc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1	51034224	RVPHYLAATGXJPT-UHFFFAOYSA-N	363.377	3.296	30	40	FGEB	
CCCCCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	101653971	LZPIHIXPFCQPDH-HZPDHXFCSA-N	356.507	3.488	30	40	FGEB	
C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2)cc1)S(C)(=O)=O	20105279	LQMQZAKLFPBFDV-MRXNPFEDSA-N	372.490	3.438	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(Cl)c1	9337586	ROKWHLJQIFNEPC-UHFFFAOYSA-N	357.841	3.108	30	40	FGEB	
C#CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	65564873	IVPNPNOYNHJVQG-CYBMUJFWSA-N	355.825	3.142	30	40	FGEB	
CCC[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1Cl	14143542	RKLLGRTUUHLNSZ-NSHDSACASA-N	366.252	3.157	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nncc2ccccc12	5505543	SOOWDZGUFITOEI-UHFFFAOYSA-N	365.374	3.140	30	40	FGEB	
C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1cccc(C#N)c1	8985411	KZBMXYQSRLBRKS-GFCCVEGCSA-N	370.482	3.031	30	40	FGEB	
C=CCN(CC=C)C(=O)COC(=O)c1oc2ccc(OCC)cc2c1C	7783308	BBJMSQCALZKRFF-UHFFFAOYSA-N	357.406	3.497	30	40	FGEB	
CC/N=C1\S/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1CC	408857649	VMYPPVWWZBINPH-PYMZAMRJSA-N	355.803	3.266	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O	409134058	VNGLUPRXBYKWIQ-MDWZMJQESA-N	350.802	3.215	30	40	FGEB	
N#Cc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccn1	604560312	IOGFKHDLMFKVRJ-UHFFFAOYSA-N	367.762	3.347	30	40	FGEB	
CC1(C)OB([C@@H]2CCN(C(=O)C3(Oc4ccccc4)CC3)C2)OC1(C)C	1776007618	PMCVPXSHPIAWEX-OAHLLOKOSA-N	357.259	3.293	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccccc2F)nc1	8128648	BGNMCAHFBDCVRQ-DEDYPNTBSA-N	364.446	3.087	30	40	FGEB	
N#Cc1c(N)oc2c1[C@@H](c1ccccc1)S(=O)(=O)[C@H]2c1ccccc1	5684769	UDCWPLCEVLZYIO-MSOLQXFVSA-N	350.399	3.341	30	40	FGEB	
Oc1nncc(N/N=C/c2ccc(Br)cc2)c1Br	31858778	WJJXEGREWGMWED-LHHJGKSTSA-N	372.020	3.153	30	40	FGEB	
CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(O)c1	102682420	XYMXDBANWOSMHM-CQSZACIVSA-N	373.368	3.125	30	40	FGEB	
CSc1ccc(/C=N/OCC(=O)N2CCN(c3ccccc3)CC2)cc1	3377396	SIVRLICNMPAEJR-RCCKNPSSSA-N	369.490	3.108	30	40	FGEB	
COc1ccc(OC)c([C@@]2(O)CS/C(=N/c3cccnc3)N2C2CC2)c1	7109730	VJHLTTIWONFKNJ-PMIVHWTLSA-N	371.462	3.143	30	40	FGEB	
Cc1ccc(SCCN2CCN(c3cc(C#N)ccn3)CC2)cc1C	95350398	JBAIOSOQPWXSHL-UHFFFAOYSA-N	352.507	3.484	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1OCC	408729147	XYFZUUDDVMITRH-RWZZKNFCSA-N	368.433	3.015	30	40	FGEB	
N#Cc1cccc(C(=O)N[C@@H]2CCCc3nc(-c4ccccn4)ncc32)c1	71195772	DHDWPUPGHOWKNK-GOSISDBHSA-N	355.401	3.218	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(Cl)cc32)cc1OC	46084665	OYZKDAZWSYKCSG-JZJYNLBNSA-N	360.797	3.472	30	40	FGEB	
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	225656097	WVGMOKCEXWYOMF-ZCNNSNEGSA-N	355.459	3.345	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)c1	1775972861	ZCDPUVFBSKABTN-AWEZNQCLSA-N	372.222	3.009	30	40	FGEB	
Cc1ccc(CN=c2[nH]c(C#N)c(Cl)s2)c(OC[C@H]2CCOC2)c1	596165991	WJUDJFVIIIUSJN-LBPRGKRZSA-N	363.870	3.426	30	40	FGEB	
CO[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1	602809736	DCHKURZYAYQTQC-IBGZPJMESA-N	367.405	3.496	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@H]4CCC[C@@H](C)[C@H]4C)CN3)nc2c1	16994371	UVJAURJSRPJZJF-CLCXKQKWSA-N	366.513	3.469	30	40	FGEB	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ncc[nH]1)C1=C(CCCC1=O)O2	18196529	CCNAPFYXWUUFOA-IBGZPJMESA-N	360.417	3.494	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1	18355265	QZPSDLDIKUQEOF-LJQANCHMSA-N	364.445	3.135	30	40	FGEB	
C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)O)ccc2c1=O	2620786	GXBQFJYMPIFMRX-UHFFFAOYSA-N	371.418	3.178	30	40	FGEB	
C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1	6370803	MCKRARWQIJFRPB-CQSZACIVSA-N	362.389	3.055	30	40	FGEB	
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1	100184801	BPYLSAOUUHWEAV-IJYGLTAASA-N	363.483	3.144	30	40	FGEB	
O=C(C1=C(N2CCCCC2)c2ccccc2S(=O)(=O)N1)c1ccccc1	716095	FXIOZTCKZBNNFK-UHFFFAOYSA-N	368.458	3.016	30	40	FGEB	
C=CCOC(=O)c1nnc2c(-c3ccccc3OC)c(CC)nn2c1C	20633796	KNHRKXZMQVALAH-UHFFFAOYSA-N	352.394	3.014	30	40	FGEB	
N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc2c(c1)OCO2	2194854	BQVSWJLCPCMIDZ-UHFFFAOYSA-N	364.317	3.462	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)CC)nc2ccc(Cl)cc2c1=O	3369858	JOIIXYUNXYIXHU-NSHDSACASA-N	365.886	3.243	30	40	FGEB	
O=S(=O)(/N=C(\O)C1(c2ccc(F)cc2)CCCC1)N1CCCCC1	64618695	SZTHTVVRZQIHDY-UHFFFAOYSA-N	354.447	3.325	30	40	FGEB	
Cc1cc(=O)[nH]c(N/N=C/c2cccc(OCc3ccc(F)cc3)c2)n1	5009483	ZVPNBKXPTNKWFR-SRZZPIQSSA-N	352.369	3.242	30	40	FGEB	
CN(CC#N)S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1	95466249	PYNZDSDNGLYORV-UHFFFAOYSA-N	365.252	3.260	30	40	FGEB	
CC1CCN(C(=O)[C@@H]2CCCN(c3oc(C(C)(C)C)nc3C#N)C2)CC1	41156633	SGMHOSWDPBWQLR-OAHLLOKOSA-N	358.486	3.319	30	40	FGEB	
C=CCn1nc(-c2cccc(Br)c2)cc(C(=O)OCC)c1=O	225965282	VYDLXYZJMOCWJM-UHFFFAOYSA-N	363.211	3.036	30	40	FGEB	
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ccccc3n1)C2	96229924	QQCVEAFXGBJGHL-QFIPXVFZSA-N	363.461	3.408	30	40	FGEB	
O=C(O)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	4136613	WSWOAZNJZCMGPA-KEBDBYFISA-N	368.780	3.030	30	40	FGEB	
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1/N=C/c1ccc(O)cc1	1302375	FWENLZVISCLCNP-HJSNDYAYSA-N	356.428	3.333	30	40	FGEB	
C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)N2	4944297	JXSPUXPRCNLMAF-HNNXBMFYSA-N	361.426	3.123	30	40	FGEB	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc(Cl)cc2)=C1O	9108935	ZNDAONXNALOKNG-CQSZACIVSA-N	358.737	3.114	30	40	FGEB	
N#Cc1c(SCC(=O)N2CCCC2)nc(N2CCCC2)c2c1CCCC2	20572863	ZWWWHAGQXTXZSW-UHFFFAOYSA-N	370.522	3.147	30	40	FGEB	
C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21	36617208	XXMFGRJWGZVCET-UHFFFAOYSA-N	353.403	3.094	30	40	FGEB	
CN1CCN(c2oc(COc3ccc(Cl)cc3Cl)nc2C#N)CC1	2436870	YNVMDBSRLPLZOS-UHFFFAOYSA-N	367.236	3.184	30	40	FGEB	
Cc1cc(=O)oc2cc(OCC(=O)NC3(C#N)CCCCC3)c(Cl)cc12	5169985	YHTWFYYYADLNFZ-UHFFFAOYSA-N	374.824	3.476	30	40	FGEB	
Cc1nc(SCC(=O)N(C)CCC#N)c2c3c(sc2n1)CCCC3	5212793	LHFCWACTPOFYGL-UHFFFAOYSA-N	360.508	3.343	30	40	FGEB	
NC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408766844	STFFNQZWMISRER-UFWORHAWSA-N	368.245	3.380	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1Cl	409129306	ROMOREFNCYFCBN-UKTHLTGXSA-N	351.189	3.084	30	40	FGEB	
COc1cc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc(OC)c1OC	3124259	WWCUSHNNWBOEBD-QNGOZBTKSA-N	373.405	3.337	30	40	FGEB	
COc1cccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1OC	12408593	BCRCIAMUOFOOHM-HNNXBMFYSA-N	370.409	3.309	30	40	FGEB	
CCc1n[nH]c(=S)n1/N=C/c1ccc(Br)c([N+](=O)[O-])c1	8183023	CTMSVWRUPBCWCQ-AWNIVKPZSA-N	356.205	3.056	30	40	FGEB	
CC1=CC(=O)C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=CC1=O	53386420	WHJGYFOWHBQCIC-UHFFFAOYSA-N	372.468	3.376	30	40	FGEB	
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc3cccnc23)C1=O	58210131	JRYZMOQNTGPFIR-NRFANRHFSA-N	356.385	3.074	30	40	FGEB	
C=CCNc1nnc(SCc2nc(-c3cccc(OC)c3)no2)s1	11393296	KQICFYZCBGXIAE-UHFFFAOYSA-N	361.452	3.487	30	40	FGEB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(C#N)CCCCC1	3441614	LCTMFQPEWFDEKC-NSHDSACASA-N	351.790	3.358	30	40	FGEB	
Cc1cc(=O)oc2cc(OCC(=O)N(C)C3(C#N)CCCCC3)ccc12	8538671	JYUWIFUIPSYNER-UHFFFAOYSA-N	354.406	3.165	30	40	FGEB	
COc1ccc(Cn2nc(OCc3ccc(F)cc3)c(C#N)c2N)cc1	225848142	QGNIBJVHOPZFSV-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
Cc1cccc(-n2c(C)cc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)c2C)c1	48344736	CSBYLTRFXVVYQE-UHFFFAOYSA-N	374.444	3.331	30	40	FGEB	
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1	1776007479	FTYMNZBAXCWWPI-HOCLYGCPSA-N	370.258	3.020	30	40	FGEB	
C=CCc1cccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c1O	12122218	CUDHYDAACPJQJM-UHFFFAOYSA-N	374.444	3.237	30	40	FGEB	
Cc1nn(-c2ccccc2)cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5446605	MINGECCMJUXIBN-VCHYOVAHSA-N	366.337	3.443	30	40	FGEB	
COc1ccc(OC)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1	878201	FQLWOTZPWBSPJE-UHFFFAOYSA-N	357.435	3.318	30	40	FGEB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103980663	SOXIJFAYYXSXCD-XGMZMTELSA-N	360.370	3.329	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2sc3ccccc3n12	3495600	XBWFSUVCAQWINJ-INIZCTEOSA-N	359.480	3.091	30	40	FGEB	
C=CCn1cnnc1SCC(=O)Nc1ccc(Br)c(C)c1	8941621	YPJGHVSBAMUYEG-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
CN1/C(=C/c2c(F)cccc2Cl)C(=O)c2ccccc2S1(=O)=O	8991155	VARUHBPHIILWQQ-NTEUORMPSA-N	351.786	3.337	30	40	FGEB	
COc1cccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)c1	6009461	GGGHRWLMEOPKRN-AWEZNQCLSA-N	369.446	3.065	30	40	FGEB	
C=C(C)CNC(=S)Nc1cc(Cl)ccc1Sc1nncn1C	6583615	ISVIAKYZSLJCRW-UHFFFAOYSA-N	353.904	3.482	30	40	FGEB	
N#CCC[C@@H](C#N)CSc1nnc(-c2ccncc2)n1CC(F)(F)F	68352848	NEAJDCWUIHBQGT-NSHDSACASA-N	366.372	3.438	30	40	FGEB	
CCC[C@H](/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl)N(C)C	95456245	IIAWFJHAKKVLCV-LLVKDONJSA-N	353.271	3.369	30	40	FGEB	
Cc1cccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408536655	SJHWKWLPOOABOU-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3Cl)C2=O)cc1	408537878	XWARGMAPFGKSCG-CYBMUJFWSA-N	355.781	3.250	30	40	FGEB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	216774572	IUZDIXZEONDXCM-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc(C#N)cc2Cl)C1	574852619	OYWKYCOARKCMSA-HNNXBMFYSA-N	368.868	3.201	30	40	FGEB	
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)COC)cc1	225656070	WVGMOKCEXWYOMF-AQNXPRMDSA-N	355.459	3.345	30	40	FGEB	
C#CCOc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)ccc1OC	40284271	HYYULSAJQPPSNW-MRXNPFEDSA-N	374.400	3.412	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cs1	3525698	MJOOXIPFIPYLNX-UHFFFAOYSA-N	365.842	3.498	30	40	FGEB	
CS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1	44835900	WWTDQMSDOCBFPA-CXUHLZMHSA-N	354.225	3.309	30	40	FGEB	
Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)ccc1[N+](=O)[O-]	3316823	UVNIUGMEOZXKRE-UHFFFAOYSA-N	367.361	3.007	30	40	FGEB	
CC(C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1	2261243	WVCXCGNDUGATII-OAHLLOKOSA-N	352.438	3.426	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN(CC)CC)o1	62580445	KPOVDWUUGUQQHT-UHFFFAOYSA-N	355.438	3.290	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3)C2=O)cc1	408537984	YCOCXKVYNYMQCZ-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccncc1	8488548	UDNFQRABBIWENI-AWEZNQCLSA-N	371.510	3.456	30	40	FGEB	
CCCCCCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O	98044810	MURJGYDZAJKUOW-IBGZPJMESA-N	354.450	3.359	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(C[C@H](C)CC1=O)N2	19959579	ZTTGTBCAVBHXNU-QFYYESIMSA-N	356.451	3.364	30	40	FGEB	
N#Cc1ccc(COC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1	10612114	VGWQTBNXISFPSK-UHFFFAOYSA-N	351.337	3.423	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1	24836637	PODYEVZHKQOEDH-UHFFFAOYSA-N	369.424	3.310	30	40	FGEB	
Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1ccc(OC2CCCC2)cc1	48491310	XTSYOXKLZAWVHV-UHFFFAOYSA-N	364.423	3.306	30	40	FGEB	
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)C(=O)O1	3543715	IMSFEYJYADBFNB-ZRFOIIEFSA-N	362.381	3.494	30	40	FGEB	
COC(=O)COc1ccc(F)cc1C(=O)/C=C/c1ccc2c(c1)OCCO2	4158406	BAOMWNMOKSIISO-GORDUTHDSA-N	372.348	3.045	30	40	FGEB	
CCOc1ccc(/C=N/O[C@H](C)C(=O)N(C)c2ccccc2)cc1OC	14289084	QZQPZGVPRXCIJF-HFITWMCCSA-N	356.422	3.496	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(O)c2)no1	9244158	BRVPBGFMRDYNPT-INIZCTEOSA-N	366.329	3.065	30	40	FGEB	
C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)N(C)C1(C#N)CCCCC1	7622374	ZBOHWCKWARUJSI-LBPRGKRZSA-N	350.365	3.195	30	40	FGEB	
CS[C@@H]1C(C(=O)c2ccccc2C)=C(CC(=O)O)C(=O)N1CC(C)C	62716457	LBUBMXWSFGRGAY-LJQANCHMSA-N	361.463	3.136	30	40	FGEB	
C[C@@](C#N)(NC(=O)CN1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1	569910373	KPHSNRQTIWVBAO-SFHVURJKSA-N	363.864	3.409	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	242649075	RTRAGWLEUVIDQT-XUVXKRRUSA-N	355.459	3.481	30	40	FGEB	
CN(C)/C=C(\Br)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1	601014308	DNFABUKWSOAJTL-BENRWUELSA-N	361.280	3.001	30	40	FGEB	
OC(C#C[C@](O)(c1ccccc1)C(F)(F)F)(C(F)(F)F)C(F)(F)F	95682109	JOGGFTPFAJRZEF-VIFPVBQESA-N	366.179	3.296	30	40	FGEB	
COc1ccc(C[C@H]2S/C(=N\N=C(\C)c3ccc(F)cc3)NC2=O)cc1	8657182	KNELWGWSWBISBH-MTEVNVADSA-N	371.437	3.389	30	40	FGEB	
CCc1ccc2nc(NC(=O)NCC3CCN(CC#N)CC3)sc2c1	79108956	GLNWIEMOJOFCMX-UHFFFAOYSA-N	357.483	3.216	30	40	FGEB	
CCC(=O)C1=C(c2ccccc2)N(C(=O)CC)n2c(CC)nnc2S1	4518276	SHXTZNGSTZCPAL-UHFFFAOYSA-N	356.451	3.169	30	40	FGEB	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1	53527225	PSBLFVYATXGRKG-FZMZJTMJSA-N	362.393	3.098	30	40	FGEB	
N#CCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccccc1	3253965	YJMIILAJFWZHMI-UHFFFAOYSA-N	370.430	3.201	30	40	FGEB	
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	58367541	CUFBJBKVVUEIBX-UHFFFAOYSA-N	372.469	3.005	30	40	FGEB	
Cc1ccccc1OCCn1cc(/C=N/NC(N)=S)c2ccccc21	4083312	OEKWPPDAAITGQG-CIAFOILYSA-N	352.463	3.196	30	40	FGEB	
CSc1nn(-c2cc(Oc3cc(C)ccc3C)ncn2)c(N)c1C#N	19910113	DRHWTTNFONERHR-UHFFFAOYSA-N	352.423	3.247	30	40	FGEB	
Cc1nnc2c(SCC(=O)Nc3ccc(C#N)cc3)nc3ccccc3n12	64948983	MSUWCZANVAVZKF-UHFFFAOYSA-N	374.429	3.188	30	40	FGEB	
C[C@H]1CCc2ccccc2N1C(=O)CON=C1CCC2(CC1)OCCO2	54232157	VTYHOCHBKOTWMM-HNNXBMFYSA-N	358.438	3.044	30	40	FGEB	
CCCN(C)CCN/C=N/c1sc2c(c1C#N)CC(C)(C)NC2(C)C	5951840	LQNGDUGQQHAQKR-UHFFFAOYSA-N	361.559	3.370	30	40	FGEB	
C#CCOc1cccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2cccnc2)c1	12135021	MSUPATHWOSMUIZ-TYABSZSSSA-N	362.473	3.213	30	40	FGEB	
CCCOc1c(Br)cc(C=Nn2cnnc2)cc1OCC	19594152	YBWAJOZVVIOLDU-UHFFFAOYSA-N	353.220	3.110	30	40	FGEB	
COc1ccc(CNc2nc(O)c(C#N)c(-c3ccc(OC)cc3)n2)cc1	40129963	ZWCISMBDINPMBJ-UHFFFAOYSA-N	362.389	3.350	30	40	FGEB	
CC(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1	40268936	SDPAIKAHYVISBQ-GOSISDBHSA-N	350.422	3.127	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccncc2)/C1=C(\O)c1ccccc1	102533419	ZVBFRJVAMQRHMX-LFVOPCPISA-N	371.396	3.099	30	40	FGEB	
O=S(=O)(/N=C(\O)c1cccc2c1OCCO2)C1=Cc2ccccc2CC1	58042379	BGVADVXCELRQQW-UHFFFAOYSA-N	371.414	3.080	30	40	FGEB	
COc1cc(CN(C)S(=O)(=O)c2ccccc2C#N)ccc1SC	58186426	PFPBIPOGPJIORL-UHFFFAOYSA-N	362.476	3.109	30	40	FGEB	
C[C@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)Nc1ccc(C#N)c(Cl)c1	25790666	AJFXMVATUUAJET-JTQLQIEISA-N	368.780	3.272	30	40	FGEB	
Fc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1	409123510	CHNVYUMRAHKIAN-XQNSMLJCSA-N	369.440	3.250	30	40	FGEB	
CCCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1	13115811	KBFGYKORWICEDQ-UHFFFAOYSA-N	354.498	3.089	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)cc2)SC1=S	409349185	UUNDKEVBBCJADZ-GXDHUFHOSA-N	363.460	3.016	30	40	FGEB	
C/C(=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1)C(C)(C)C	5479874	YHGUWAFWFMUWME-GMECJLQCSA-N	364.446	3.164	30	40	FGEB	
N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)cc1	7976153	POZPGSUIOFHALG-UHFFFAOYSA-N	374.400	3.132	30	40	FGEB	
CCn1nnc2cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccc21	24506380	CPDMEESLINBQRX-UHFFFAOYSA-N	372.350	3.252	30	40	FGEB	
COC(=O)COc1c(C)cc(/C=C2\Cc3c(O)cccc3C2=O)cc1C	98052632	MUSNNXKZOIJYCN-OQLLNIDSSA-N	352.386	3.383	30	40	FGEB	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N)s1	95953356	ICQZGLPRESMVMP-VIFPVBQESA-N	365.509	3.245	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(Cl)cc3)C(=O)NC2=S)cc1	408763597	TXAKGXPRUKSNEX-VYXQJKENSA-N	371.849	3.415	30	40	FGEB	
CC[C@H]1/C(=N\O)C2=C(CCCC2=O)N2CCc3cc(OC)c(OC)cc3[C@H]12	524730982	FUIIETHMZWPVAF-RQBWANKVSA-N	370.449	3.480	30	40	FGEB	biogenic
C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@H](O)CCCCC)[C@H]1C2	138700349	GNZJIIUXMNGZCY-IRHWDSGUSA-N	360.450	3.235	30	40	FGEB	biogenic
CCc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(OC)c(OC)c2)cc1	18037341	UORKTBQCDCUYHP-GOSISDBHSA-N	367.401	3.132	30	40	FGEB	
CC(/C=N/OC(=O)c1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12362619	PAHIMUITOFLUQI-ODPUSEOTSA-N	371.309	3.134	30	40	FGEB	
CC(C)CNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N	12421145	PBESNIPNEMCCLC-UHFFFAOYSA-N	374.466	3.066	30	40	FGEB	
CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O	11865303	HNSJRVCMXKAWAT-MFOYZWKCSA-N	369.329	3.153	30	40	FGEB	
O=C1CS/C(=N/S(=O)(=O)c2ccc(Cl)cc2)N1C1CCCCC1	100975213	VQGABUZGYIGDLL-BMRADRMJSA-N	372.899	3.293	30	40	FGEB	
COc1ccccc1COC[C@@H](O)CSc1nc(C)cc(C)c1C#N	32751074	GGXFLUXSAHVNFS-MRXNPFEDSA-N	358.463	3.249	30	40	FGEB	
CN1C(=O)C[C@H](C(=O)O)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1	12417033	OTDZQKKIVGYXEF-PLVFTECTSA-N	366.748	3.395	30	40	FGEB	
C=C(Br)CN1C[C@H](C)N(CC(=C)Br)[C@@H](C)C1	97164333	DQGOOPJXHFJPCA-RYUDHWBXSA-N	352.114	3.198	30	40	FGEB	
CCN(C(=O)CSc1ncc(C#N)c(N)n1)c1cccc2ccccc12	3434247	XULPDMPQWKQTLT-UHFFFAOYSA-N	363.446	3.229	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2ccco2)n(C[C@H]2CCCO2)c1C	8734796	LOWKMSRQKFHSGZ-GOEBONIOSA-N	370.453	3.038	30	40	FGEB	
CCc1nnc(S)n1/N=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	5823296	KSGXRHRSLYKQCW-YBFXNURJSA-N	355.467	3.428	30	40	FGEB	
CC[C@H](C)Oc1ccccc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1	408602999	PNSRZFACPQRMDD-ZDXHCBJDSA-N	373.432	3.076	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(C(F)(F)F)n1	225926034	VYBHSCSUASXKLI-SNVBAGLBSA-N	359.421	3.204	30	40	FGEB	
COc1cc(C)cc2c1OC/C(=C\c1cnc(N3CCCC3)nc1)C2=O	58182684	QYHRRNCKAKCRCV-OQLLNIDSSA-N	351.406	3.053	30	40	FGEB	
C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=C(O)c2ccccc2C1=O	100852744	CFJWMTSJZQEVFH-NVMNQCDNSA-N	368.305	3.456	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(Cl)c1	102799796	OEWCLIIKZMYMMM-DPEHCCBOSA-N	361.781	3.001	30	40	FGEB	
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(OC(F)F)cc1	14143429	HHKYUDZRIOIAST-UHFFFAOYSA-N	371.347	3.042	30	40	FGEB	
O=C1CSC(N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)=N1	4614292	JEFZKUYMFVYUBG-DJKKODMXSA-N	373.821	3.112	30	40	FGEB	
CCOc1cc2c(cc1/C=C/C(=O)c1ccc3[nH]c(=O)[nH]c3c1)O[C@@H](C)C2	9881800	MVQDXOKXWSHXJS-PZBABLGHSA-N	364.401	3.474	30	40	FGEB	
C=CCN(CC=C)S(=O)(=O)c1cc(Br)ccc1OCC	31903951	XPYDOSHCRYXDGR-UHFFFAOYSA-N	360.273	3.211	30	40	FGEB	
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccs1	225136588	QUVLCZOGODHLDQ-UHFFFAOYSA-N	351.449	3.224	30	40	FGEB	
C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(F)cc1	224909688	BIXIQKAHONSHOA-UHFFFAOYSA-N	363.410	3.384	30	40	FGEB	
Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1F	7235902	HOYTYEMFNVBVND-UHFFFAOYSA-N	367.409	3.224	30	40	FGEB	
C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@@H](CO)N(C)C1=O	100067438	YHKYFYCSTJGMID-JWROMMBDSA-N	373.493	3.021	30	40	FGEB	biogenic,in-vitro
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c(C#N)c1	24976702	JPRYBWPAGKIMEC-GFCCVEGCSA-N	368.824	3.387	30	40	FGEB	
C=CCn1ncc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C	100725849	WBHOPMBYZZEXHQ-YLJYHZDGSA-N	364.497	3.030	30	40	FGEB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)O)c1	3226933	HEKMQWWKGCTPHN-UHFFFAOYSA-N	351.811	3.420	30	40	FGEB	
C/C(=N/NC(=S)NNC(=S)Nc1ccccc1Cl)c1ccco1	4105289	GFQHNCWWHRMQQU-MFOYZWKCSA-N	367.887	3.023	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C	7987822	HDCVINVFSZPXPV-GDBMZVCRSA-N	371.510	3.486	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C	7987820	HDCVINVFSZPXPV-ZBFHGGJFSA-N	371.510	3.486	30	40	FGEB	
CCOC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	408912672	RMWLYITZYCQEBI-UHFFFAOYSA-N	366.369	3.100	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C\c2ccc(SCCO)c([N+](=O)[O-])c2)cc1	32124571	YGOAAUYBOKCNIW-YBEGLDIGSA-N	362.367	3.033	30	40	FGEB	
Cc1n[nH]c(C)c1[C@@H]1COCCN1/C(O)=N/[C@H](C1CCCC1)C(F)(F)F	330172037	XSAKURYJBVIWCE-DZGCQCFKSA-N	374.407	3.435	30	40	FGEB	
CSc1nc(N2CCN(c3ccc(C#N)cn3)CC2)cc(C(C)(C)C)n1	1888866236	FEBQKSRSJPTACC-UHFFFAOYSA-N	368.510	3.089	30	40	FGEB	
O=C(/C=C1/NC[C@H]2c3ccccc3CCN2C1=O)c1ccc(Cl)cc1	4573110	ARESULWAIJQSSD-RLGUWMIQSA-N	352.821	3.136	30	40	FGEB	
COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	12321131	BRXKFQWQMDMCAH-INIZCTEOSA-N	370.409	3.309	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc2c(c1)OCO2	12347684	VNNAYEKYMYUPMV-AWEZNQCLSA-N	353.378	3.045	30	40	FGEB	
Cc1cc(Br)ccc1NC(=O)CN(C)c1ccc(C#N)cn1	54359247	QRIXFTSGYXJCIK-UHFFFAOYSA-N	359.227	3.099	30	40	FGEB	
Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C2CC2)c1	7058068	VRDZUOQPHNQWGO-IBGZPJMESA-N	354.479	3.390	30	40	FGEB	
CCn1cnnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	7868187	DZAIPFYKWOGXIU-JTQLQIEISA-N	361.496	3.087	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@@H]4CCC[C@H](C)[C@H]4C)CN3)nc2c1	16994367	UVJAURJSRPJZJF-QMTMVMCOSA-N	366.513	3.469	30	40	FGEB	
CCOc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)NC2=O)c1	18142580	NIZDVCBJBGFHDA-MRXNPFEDSA-N	369.446	3.333	30	40	FGEB	
C/C(=N\OCC(=O)NC1(c2ccccc2)CCC1)c1ccc2c(c1)OCO2	98054352	FXQKJJRMAQGSDD-HZHRSRAPSA-N	366.417	3.352	30	40	FGEB	
N#Cc1cc2cc(Cc3ccc4oc(=N)c(C#N)cc4c3)ccc2oc1=N	408718052	FPLCXLLIPORILZ-UHFFFAOYSA-N	352.353	3.472	30	40	FGEB	
O=C1CSC(=S)N1/N=C\c1ccccc1OCCOc1ccccc1	409328711	AGAVPQDDIVVXBY-UNOMPAQXSA-N	372.471	3.339	30	40	FGEB	
CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc(C#N)cc1	6010599	YADQNZXVHMEBJD-FMIVXFBMSA-N	350.374	3.152	30	40	FGEB	
N#Cc1cccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c1	85474077	ZQCXPOHBWNWAAS-UHFFFAOYSA-N	358.319	3.389	30	40	FGEB	
COc1ccc(C2=C[C@@H](c3ccc(C#N)cc3)n3ncnc3N2)cc1OC	102909433	LEVUADNRYDUABH-KRWDZBQOSA-N	359.389	3.223	30	40	FGEB	
N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Br)cc1	103503480	BYSISDOYBRCLNJ-OAHLLOKOSA-N	357.207	3.088	30	40	FGEB	
C/C(=N\N)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	118918523	BAGRWRUJCMXJQI-VHXPMSRCSA-N	358.530	3.330	30	40	FGEB	
C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc(O)cc1=O	13116291	HOKCLUYKELKXSI-UHFFFAOYSA-N	364.295	3.123	30	40	FGEB	
COc1ccc(C)cc1CO/N=C(/N)c1ccc(-n2nc(C)cc2C)nc1	63864132	ALLPTXWOBKKTRO-UHFFFAOYSA-N	365.437	3.038	30	40	FGEB	
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3nc[nH]n3)o2)c(Br)c1	6321321	GGOBEHSGIGQLMZ-GIDUJCDVSA-N	362.143	3.486	30	40	FGEB	
CCc1ccc(-c2n[nH]c(SCC(=O)N[C@](C)(C#N)C(C)C)n2)cc1	8483875	ILHACQMXFLZCKZ-GOSISDBHSA-N	357.483	3.181	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2ccsc2c1=O	9691190	MCPPQUAPHFRBPU-LLVKDONJSA-N	363.508	3.183	30	40	FGEB	
CCOc1cc2c(cc1/C=N\c1ccc(N3CCOCC3)cc1)OCO2	409085567	DJYWPSDTBBJDEY-BKUYFWCQSA-N	354.406	3.401	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2	684813622	SRDZAUVICUSQQQ-OWSLCNJRSA-N	350.503	3.347	30	40	FGEB	
N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)c1	3108411	WZUMHSKVWULGCI-FXBPSFAMSA-N	368.190	3.398	30	40	FGEB	
N#CCCN1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	19891918	TUXPESGLZJQQCG-UHFFFAOYSA-N	370.434	3.062	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1	6813189	QKYPJAMFCJQHFC-MRXNPFEDSA-N	357.431	3.281	30	40	FGEB	
C=CCc1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC	30805163	JFQGZSWXSOCMCV-UHFFFAOYSA-N	366.421	3.275	30	40	FGEB	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@](C)(C#N)C(C)C)n1	21514846	BCNVIJDZJKLFJP-OAHLLOKOSA-N	370.400	3.427	30	40	FGEB	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1	32802849	DYKKACAQDKBJNI-IBGZPJMESA-N	361.445	3.098	30	40	FGEB	
O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1	102802334	ILOCMCDTNSLWQE-FPUHYBSFSA-N	363.413	3.287	30	40	FGEB	
C[C@@H]1CCCN(C(=O)CNc2ccc(OCC(F)(F)F)c(C#N)c2)C1	55849969	HZKCCSMMAYJIRL-GFCCVEGCSA-N	355.360	3.170	30	40	FGEB	
N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3F)CC2)cc1	12686526	MWUQUYHHRCDBNT-UHFFFAOYSA-N	352.413	3.437	30	40	FGEB	
COC(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1N1CCOCC1	102414113	MGVJKMUBCUSLBI-CIAFOILYSA-N	374.824	3.419	30	40	FGEB	
CC(=O)c1cccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2ccc(C)s2)c1	63435747	USHHEHWOICCCAJ-GFCCVEGCSA-N	367.448	3.372	30	40	FGEB	
COc1ccc([C@@H]2CCCN2CC(=O)Nc2sccc2C#N)c(OC)c1	7739944	ZSDITNVYNNFFNM-INIZCTEOSA-N	371.462	3.413	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	47332757	FNJBKDHXCDGOQQ-UHFFFAOYSA-N	362.748	3.101	30	40	FGEB	
CCOC(=O)c1cccc(/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)c1	409246820	DWGYGMGMNWNMIS-MUBJSKCLSA-N	371.389	3.474	30	40	FGEB	
Cc1cc(N2CCCC2)c(F)cc1C=Nn1c(O)nc2ccccc2c1=O	409350701	UKMGIVZXVBWLBK-UHFFFAOYSA-N	366.396	3.032	30	40	FGEB	
N#CCSCC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl	33162187	BZBCUEIYAZUBOZ-UHFFFAOYSA-N	355.250	3.433	30	40	FGEB	
Cc1c(C#N)c(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)nc2c1CCC2	53570206	YGGPAWVPAFOVPC-QZTJIDSGSA-N	371.506	3.013	30	40	FGEB	
COc1ccc(/N=C2\C(=O)N(C(C)=O)c3ccc(Br)cc32)cc1	5378178	BVTYZKHVCPFAIN-MNDPQUGUSA-N	373.206	3.472	30	40	FGEB	
C[N+]1(CC(=O)c2ccc([N+](=O)[O-])cc2)CCc2[nH]c3ccccc3c2C1	1825519	QMLGJIOOYKINLZ-UHFFFAOYSA-N	350.398	3.462	30	40	FGEB	
Cc1cc(C(=O)Cn2c(C)nc(C#N)c2C#N)c(C)n1CCc1ccccc1	97165542	DVNNWIQGXVDSRR-UHFFFAOYSA-N	371.444	3.479	30	40	FGEB	
Cc1c(CNC2CCN(Cc3ccc(F)c(F)c3)CC2)cc(C#N)n1C	58060433	LFDRJLRDBLHBKZ-UHFFFAOYSA-N	358.436	3.238	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)c1nn(CC)c(=O)c2ccccc12	58202533	FUCFIXVGVRRLRW-UHFFFAOYSA-N	365.408	3.384	30	40	FGEB	
CCCC(=O)N1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1	36629048	HFOIIRPBYQCBLJ-RMKNXTFCSA-N	368.412	3.304	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)N2CCOCC2)c1	5022676	IHIRJXDWWCHOTJ-FNORWQNLSA-N	373.430	3.484	30	40	FGEB	
Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccc(F)cc1	4748080	JXHDUJUMJTVBGJ-UHFFFAOYSA-N	350.382	3.445	30	40	FGEB	
COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21	9484303	MPDCINNACSVBEL-HXPMCKFVSA-N	362.389	3.295	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)c1	1776001483	WCHPIBGZJZBQEK-KRWDZBQOSA-N	350.397	3.255	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S	16138347	IWWFVEPYIZYFPO-UVTDQMKNSA-N	372.833	3.413	30	40	FGEB	
CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c1C	59466232	RFPRWGWHGHWIAQ-UHFFFAOYSA-N	364.448	3.214	30	40	FGEB	
COc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1	408903844	AEGIVVIDYGNDNV-DHDCSXOGSA-N	371.374	3.201	30	40	FGEB	
CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1	18195075	VMRDFKRYIYULAD-LJQANCHMSA-N	360.417	3.083	30	40	FGEB	
CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1	7713828	CLWURGAHNMKUGG-KPKJPENVSA-N	354.431	3.143	30	40	FGEB	
CC(C)C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)S1	7883469	OVEJTSBQQYAGIG-INIZCTEOSA-N	355.463	3.412	30	40	FGEB	
Cc1nn(C)c(N(C)C)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1	28473390	VRTAOLWUVIWOCE-CIAFOILYSA-N	372.469	3.301	30	40	FGEB	
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccn1	13151555	FVZFWYUPXMZJJX-WVCJAJDESA-N	354.435	3.062	30	40	FGEB	
CC(C)c1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1	100967361	QDYDHDMZEDADDP-SSDVNMTOSA-N	367.380	3.245	30	40	FGEB	
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1	21486992	UWZBZSSBLSTNKZ-INIZCTEOSA-N	374.437	3.027	30	40	FGEB	
C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]12O3	101037593	YRCAGXDMMKPGNP-CUGJGTHOSA-N	359.809	3.046	30	40	FGEB	
COc1ccccc1NC1=NN/C(=C2\C=C/C(=N\C(C)=O)C=C2F)CS1	104981201	AINPDAXGZPPIME-RFBDZQIQSA-N	372.425	3.379	30	40	FGEB	
CCCN(CC#N)C(=O)CCn1c(-c2ccc(OCC)cc2)n[nH]c1=S	72310092	DKOSUAYPDDXAQR-UHFFFAOYSA-N	373.482	3.159	30	40	FGEB	
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408964987	FHLHJXABVQJYCL-MTJSOVHGSA-N	369.446	3.198	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1nc(-c2ccc(OC)cc2)no1	64579706	VSCCUZJPWLHTRA-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2sccc2C#N)cc1	7625073	FEBCRBDEIHHMNP-LBPRGKRZSA-N	358.419	3.131	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	408857332	NTUNRRBWQBTESQ-SFQUDFHCSA-N	366.348	3.057	30	40	FGEB	
O=[N+]([O-])c1ccccc1/C=C\C=N/N1CCN(Cc2ccccc2)CC1	35131827	PVYRJBCFXVRLAR-IDRHBWAZSA-N	350.422	3.412	30	40	FGEB	
Cc1nc2ccc(N/C(O)=N/[C@@H]3CCCN(c4ccccc4F)C3)cn2n1	329441681	NDYRZJKIJXRFQT-CQSZACIVSA-N	368.416	3.172	30	40	FGEB	
O=C(NC1CCCC1)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1	19399836	VAASKGMUEAVNPZ-UHFFFAOYSA-N	356.429	3.340	30	40	FGEB	
N#CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	58172063	PZGNAWOLURTMJX-JOCHJYFZSA-N	357.413	3.432	30	40	FGEB	
CCCn1c(=O)n(CCC(=O)Nc2sccc2C#N)c2ccccc21	14138925	ZBEKUBSLOKVTSA-UHFFFAOYSA-N	354.435	3.175	30	40	FGEB	
CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N	19904888	VTQKOVBVKZYYAA-UHFFFAOYSA-N	372.837	3.383	30	40	FGEB	
C=CCc1cc(CO)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1	409113479	IJLQWKJACJWQCY-UHFFFAOYSA-N	368.838	3.337	30	40	FGEB	
CCNC(=O)COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1OC	33476716	SLLLILFJZQVWNM-YBEGLDIGSA-N	351.402	3.033	30	40	FGEB	
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCOCC2)c1O	3211756	MQXFJRJPDTYUER-DEDYPNTBSA-N	371.393	3.286	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OC	4363981	XJNXQXRCSALKMO-LCYFTJDESA-N	366.870	3.333	30	40	FGEB	
CC(=O)c1ccc(OC[C@H](O)CSc2nc(C)cc(C)c2C#N)cc1	21559691	KLYDHTYYKVRTAO-INIZCTEOSA-N	356.447	3.305	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccnc2)n2ncc(C#N)c2N1	101476746	QMGNGWOGEDEUFF-IBGZPJMESA-N	370.416	3.386	30	40	FGEB	
C#CCOc1ccc(Br)cc1[C@@H]1NC(=O)c2ccccc2N1	32666123	HQSBSRNGHHJYCO-INIZCTEOSA-N	357.207	3.315	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc3ncsc3c2)n1	6606153	AVMDGPUXXXLSAS-LLVKDONJSA-N	357.416	3.095	30	40	FGEB	
CC(C)OC(=O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1	4739404	GMDQTOBGBOVGSZ-YBFXNURJSA-N	357.366	3.371	30	40	FGEB	
CCCCCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O	98044809	MURJGYDZAJKUOW-LJQANCHMSA-N	354.450	3.359	30	40	FGEB	
O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1I	408551618	OSUIOAKPFVRYFW-OVCLIPMQSA-N	368.134	3.040	30	40	FGEB	
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	218115541	XWKDDDIBWIFTLI-IRXDYDNUSA-N	372.833	3.322	30	40	FGEB	
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1	5376833	OGIKXCGNVMMJHN-GDNBJRDFSA-N	354.387	3.285	30	40	FGEB	
COc1cc(C#N)ccc1OCCCC(=O)N1CCOc2ccccc21	40133172	WOTBGQCLKWNOJV-UHFFFAOYSA-N	352.390	3.151	30	40	FGEB	
C=CCc1cc(/C=N/c2cccc(C(=O)O)c2)cc(OC)c1OCC(=O)O	59679265	QNZLZOIWMDCXLO-SRZZPIQSSA-N	369.373	3.336	30	40	FGEB	
C=CC/N=C1\S[C@@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1	12615554	DANZFVMXEGBDSR-NXDJFEHLSA-N	372.471	3.234	30	40	FGEB	
N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CCCC2	48325841	IFHCLSJNTCQCEZ-UHFFFAOYSA-N	355.463	3.065	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N(CCC#N)c1ccc(F)cc1	14086093	OWJJWLPPMJXXJA-UHFFFAOYSA-N	353.353	3.032	30	40	FGEB	
COc1cc(/C=C/C(=O)O[C@H](C)C(=O)c2ccccc2)ccc1OCC#N	6824129	VQJQNDIXRVUUJD-SLZMIMFISA-N	365.385	3.425	30	40	FGEB	
CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)c(F)c1F	75108487	ZAAFMQMTKRFMMQ-UHFFFAOYSA-N	355.341	3.208	30	40	FGEB	
COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1	34864632	ZZBMTDFKRGGELC-GQCTYLIASA-N	359.334	3.222	30	40	FGEB	
N#C[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1	218529066	QNYPUCCLMNBFOY-JYJNAYRXSA-N	367.257	3.154	30	40	FGEB	
CC1(C)CO[C@@H](c2ccccc2Cl)CN1S(=O)(=O)CC1(C#N)CC1	165247680	GMOWQYJRNBHONB-OAHLLOKOSA-N	368.886	3.125	30	40	FGEB	
N#Cc1cnc(SCC[S@](=O)c2cc(Cl)ccc2Cl)nc1N	53548226	DOMVRHHJMOGFTK-JOCHJYFZSA-N	373.290	3.137	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1O	36075370	HGFQCTYRZSHGHJ-GIJQJNRQSA-N	355.379	3.066	30	40	FGEB	
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)cc1C	12806594	XEZNADCQCZJNJL-UHFFFAOYSA-N	371.462	3.026	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1	12907715	PEWPYQGBNZQBKA-UHFFFAOYSA-N	360.464	3.195	30	40	FGEB	
Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	13062811	OBBACECUBCVAAP-UHFFFAOYSA-N	370.840	3.029	30	40	FGEB	
C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1	17074274	MVYIARZEOJXPHA-UHFFFAOYSA-N	360.464	3.194	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c(O)c1	35325000	LTTPUADQUCERIP-QPJJXVBHSA-N	358.346	3.043	30	40	FGEB	
C=CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC1	226278439	IMBOXFQLDGTFQI-UHFFFAOYSA-N	356.344	3.155	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	242495607	GLBVMFYOFSNHPH-RCCFBDPRSA-N	359.834	3.297	30	40	FGEB	
N#Cc1nn(-c2ccccc2Cl)nc1N1CCN(c2ccccc2)CC1	256046554	GQAQDGYYOIHYRH-UHFFFAOYSA-N	364.840	3.119	30	40	FGEB	
Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)c(Cl)c2)C3)n1	685941911	DDILUMMUVOKXLB-KSSFIOAISA-N	356.813	3.097	30	40	FGEB	
CCN1CCN(Cc2c(O)cc(C)c3c2O/C(=C\c2ccco2)C3=O)CC1	20572759	MBWCTJIYBBEMMJ-PDGQHHTCSA-N	368.433	3.047	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1	105410431	YXMDIQCDLJBXNR-NTGPFHFQSA-N	351.450	3.064	30	40	FGEB	
COc1cccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c1OC	12662851	NWNVTCGLTOMFGE-YVLHZVERSA-N	369.373	3.380	30	40	FGEB	biogenic
C=CC/N=C1\S[C@@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CC=C	4682471	OHEHFMJWMPXVQJ-JVMRMLDLSA-N	373.478	3.086	30	40	FGEB	
CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1	5923752	YDGSSZJVIJXEOX-CQSZACIVSA-N	368.462	3.232	30	40	FGEB	
C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1(C#N)CCCCC1	9743762	AHIUQAYRFFDNAO-JTQLQIEISA-N	361.496	3.097	30	40	FGEB	
COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c3c(c1)OCCO3)C2	85875582	RIDUZYUHPBJMHX-NSIKDUERSA-N	368.385	3.306	30	40	FGEB	biogenic
C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC	85875869	JSGMGEBENKGFCS-CQSZACIVSA-N	355.390	3.088	30	40	FGEB	biogenic
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc(Cl)c1	408740687	LTCGSDGLQODXCO-LEBHLANCSA-N	357.822	3.106	30	40	FGEB	
C=CCc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1OCCC	409072524	VTVMCYTXIWJDGR-UHFFFAOYSA-N	362.422	3.332	30	40	FGEB	
C=CCN1C(=O)[C@@H](c2cccnc2)CC12CCN(Cc1ccoc1)CC2	96069599	ZGKMKOKSBYRHRW-LJQANCHMSA-N	351.450	3.211	30	40	FGEB	
C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C	7550959	XBXHPCSJVWEQBC-CQSZACIVSA-N	354.328	3.405	30	40	FGEB	
CCOC(=O)/C=C/c1ccc(NC(=O)COc2ccccc2C#N)cc1	18239269	JGBCCSVWWQKHDW-FMIVXFBMSA-N	350.374	3.152	30	40	FGEB	
C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	408814443	ZEWBQPPLHRFTAV-GHRIWEEISA-N	362.385	3.226	30	40	FGEB	
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C	225012595	QVQVKIWXGWIBFC-UHFFFAOYSA-N	374.462	3.029	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(Br)o2)c([N+](=O)[O-])c1	5568355	FVCJJPLSBYRPQA-AWNIVKPZSA-N	355.104	3.305	30	40	FGEB	
N#Cc1cccc(N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)n1	1776000653	CUMWYLOAPJZKCU-UHFFFAOYSA-N	357.417	3.018	30	40	FGEB	
COc1ccccc1NC(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1	1775972883	ZZPOTYYIDDMPIG-INIZCTEOSA-N	366.421	3.285	30	40	FGEB	
N#Cc1cccc(C(=O)NCCc2nc(C3CC3)cc(C(F)(F)F)n2)c1	75170740	AQXVAQROMRVMTG-UHFFFAOYSA-N	360.339	3.217	30	40	FGEB	
Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C#N)cc1	2617293	ZKTBCHSJUBTXRE-UHFFFAOYSA-N	350.374	3.012	30	40	FGEB	
COc1ccc(-n2c(N)c(C#N)c(-c3ccc(C)cc3)c(C#N)c2=O)cc1	704338	NOHAMGCYIZJRBZ-UHFFFAOYSA-N	356.385	3.147	30	40	FGEB	
N#Cc1cc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1Cl	55584634	COVXWWGCFCLEIR-UHFFFAOYSA-N	358.810	3.403	30	40	FGEB	
Cc1cc(C)cc(OCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1	7794097	PSZMYJVQIHPIFK-OAHLLOKOSA-N	352.390	3.124	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2C1=O	8076954	DINIPXGYOLWWTR-UHFFFAOYSA-N	354.793	3.052	30	40	FGEB	
N#CCN(CC#N)S(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1	97227439	GALFEGFIQOBVKH-UHFFFAOYSA-N	354.218	3.184	30	40	FGEB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/N2C(=O)CSC2=S)o1	409338173	FFXWMVCARQPHDP-REZTVBANSA-N	360.416	3.147	30	40	FGEB	
N#Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2	33794958	RWDMLASVOZMVQC-UHFFFAOYSA-N	363.420	3.208	30	40	FGEB	
COc1ccc2nc(N/C=C3\C(=O)Oc4ccccc4C3=O)sc2c1	44827555	UDOJDZCWXNRBLW-XFXZXTDPSA-N	352.371	3.403	30	40	FGEB	
CC(C)n1c2ccccc2c2c1cc(C(=O)NCCC#N)n2C(=O)N(C)C	96037392	WSMVHLFZAJFQGA-UHFFFAOYSA-N	365.437	3.350	30	40	FGEB	
COc1cccc(/C=N\n2c(S)nnc2-c2ccc(Cl)cc2)c1O	1473737	CNMJRWCOCFQSPG-NVMNQCDNSA-N	360.826	3.484	30	40	FGEB	
OCC#CCSc1nnc(-c2ccc(Br)cc2)n1C1CC1	12322179	DLNINYNLAAYMIZ-UHFFFAOYSA-N	364.268	3.130	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1	102705720	ZFXBAAPASUVXDY-UYTDBDHRSA-N	357.431	3.206	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1	58224516	MOTOKFFPQBYRAJ-ZHACJKMWSA-N	365.477	3.259	30	40	FGEB	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccccc2)C1=O	3579787	UGHWXRBCRBKILA-PGNNWUFWSA-N	359.332	3.089	30	40	FGEB	
C=CCn1cc(Br)c(NC(=O)c2ccc(OC)c(OC)c2)n1	95465511	MDTIKMHPWQZRJQ-UHFFFAOYSA-N	366.215	3.101	30	40	FGEB	
C=CCN(C(=O)Nc1ccccc1SC(C)C)[C@H]1CCS(=O)(=O)C1	95446560	BVBXDNKAJVWBNE-AWEZNQCLSA-N	368.524	3.394	30	40	FGEB	
COc1ccc(CN2CCCN(c3nc(C)cc(C)c3C#N)CC2)cc1	73869913	GCZCKPUGNDCTPN-UHFFFAOYSA-N	350.466	3.291	30	40	FGEB	
C=CCn1c(SCCC(=O)OCC)nc2sc(C)c(C)c2c1=O	36644067	WKYCAZUFMGFDNG-UHFFFAOYSA-N	352.481	3.306	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1	222918866	CCRBWYVOBURHCG-QGZVFWFLSA-N	368.452	3.478	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1	222456570	AEAMKMWLSOBTCV-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
CC[C@H](C(=O)NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1	90730802	PCQNCIYKQBCSSL-SFHVURJKSA-N	351.402	3.108	30	40	FGEB	
N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)nc2ccccc12	598842503	XTJDMXIJZCVBRC-AEFFLSMTSA-N	362.433	3.226	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1	13003345	ZKZIRXDKQDKOEZ-GOSISDBHSA-N	369.392	3.095	30	40	FGEB	
N#Cc1cc(Br)cnc1N1CCC(Oc2nccs2)CC1	2086884452	VMEMZALVLHEAKZ-UHFFFAOYSA-N	365.256	3.220	30	40	FGEB	
Cc1ccc2c(c1)CC[C@H](/C(O)=N/CC(=O)N1CCc3ccccc31)O2	330031324	SZSPCJJKKVMFNR-LJQANCHMSA-N	350.418	3.234	30	40	FGEB	
C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1	253617439	MQTQESZYELRKMR-WRVIVEQGSA-N	372.505	3.316	30	40	FGEB	
N#Cc1c[nH]c(=Nc2cccc([C@H]3CCCN3Cc3ccncc3)n2)s1	585293043	CPTQPGGQJMLDCH-QGZVFWFLSA-N	362.462	3.307	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccco1)C2	585106842	JMADNOGYYNLJBV-OAQYLSRUSA-N	360.417	3.213	30	40	FGEB	
O=C(Nc1cccc2cccnc12)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F	4175670	IGDWNIUDPRUUSB-BMGYJQCNSA-N	363.339	3.283	30	40	FGEB	
C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1	20806393	OMCDGRUAIPHYRD-OAQYLSRUSA-N	370.468	3.116	30	40	FGEB	
N#Cc1cnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1	20388898	LZUOZEDBUZZWLX-UHFFFAOYSA-N	355.445	3.260	30	40	FGEB	
Cc1ccc(I)c(C(=O)NC2(C#N)CCCC2)c1	101642242	NGCRXORIMPYTMJ-UHFFFAOYSA-N	354.191	3.166	30	40	FGEB	
Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc2c(c1)OCCO2	6868599	IZBGLCLZZOCWAM-YBFXNURJSA-N	352.419	3.196	30	40	FGEB	
N#C[C@@]12C3=NC(=N)[C@]1(C#N)[C@@H]1CCCC[C@]1(O3)O[C@H]2c1cccc(F)c1	102534446	ZEXNXFUAFZIXDX-CJBAZIHXSA-N	350.353	3.223	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)N1CCCc2cc(OC)ccc21	10637781	WMOQHXGBNZIJLP-UHFFFAOYSA-N	366.417	3.324	30	40	FGEB	
COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	18279614	OYBUAXPCEIKLJB-KRWDZBQOSA-N	368.345	3.092	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)n(C[C@@H]2CCCO2)c1C	14118516	XYPGJFGWRVOHHU-RKVPGOIHSA-N	372.513	3.072	30	40	FGEB	
COCc1nc(/C(O)=N/S(=O)(=O)c2ccc(C(C)(C)C)cc2)cs1	86053657	DYILKKGHUYMMIS-UHFFFAOYSA-N	368.480	3.281	30	40	FGEB	
CCn1c(N/N=C/c2cn(CCC(N)=O)c3ccccc23)nc2ccccc21	408692408	LXGCAUZSRIZLES-YDZHTSKRSA-N	374.448	3.332	30	40	FGEB	
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225655751	IGBIWGLJVMEBNC-BZSNNMDCSA-N	361.850	3.090	30	40	FGEB	
Cc1nnc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C#N)c1C	591173783	VHBSJAFWXUQTIK-CQSZACIVSA-N	354.376	3.151	30	40	FGEB	
C=CCNc1ncc(-c2ccsc2)c(-c2cnc(OC)nc2OC)n1	12327591	IUCZUDXOVQMUFC-UHFFFAOYSA-N	355.423	3.277	30	40	FGEB	
CSc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1	19852192	AROOZYSWJGIIPM-UHFFFAOYSA-N	355.448	3.307	30	40	FGEB	
Cc1cnn(-c2cc(N/N=C/c3cc(Cl)cc(Cl)c3O)ncn2)c1	4595720	MEBDEEHACRYYCW-CGOBSMCZSA-N	363.208	3.429	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C#N)C1	4275234	QKEWCUUDKUHOTE-UHFFFAOYSA-N	359.838	3.430	30	40	FGEB	
O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)Nc1cccc(Cl)c1	21132051	OBBVXTHXSUJFJR-ZDUSSCGKSA-N	351.859	3.199	30	40	FGEB	
Cc1ccc([C@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	836903	MDCFNRHICQYKAN-KRWDZBQOSA-N	353.340	3.500	30	40	FGEB	
Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(F)cc1	3283872	LWWVFCIISROFPP-UHFFFAOYSA-N	367.409	3.224	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nc(CC3CCCC3)n[nH]2)n1	23107563	WTQWGWDQOUIWQX-LBPRGKRZSA-N	361.496	3.271	30	40	FGEB	
COc1ccc(OCCN(C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1	96981610	FPFLPDBOLDUVEZ-UHFFFAOYSA-N	373.478	3.195	30	40	FGEB	
CCn1c(N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])nc2ccccc21	408692956	ZGOFCRJLYUZXAJ-YBFXNURJSA-N	369.381	3.428	30	40	FGEB	
C[C@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)NC1(C#N)CCCCC1	7107919	GOMDDCYMDOJOTK-LBPRGKRZSA-N	366.820	3.296	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(Br)c1)Nc1nonc1N2	12409837	MBSQDMRLTZIKEX-ZDUSSCGKSA-N	361.199	3.418	30	40	FGEB	
COc1ccc(C(=O)/C=C/N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1	12963578	IOFIFQXETLIYPU-GNISGLHKSA-N	364.401	3.158	30	40	FGEB	
N#Cc1c(CSc2nnc(-c3ccc(F)cc3)n2N)cn2ccccc12	14728690	VHZAVPSJRIXQPK-UHFFFAOYSA-N	364.409	3.215	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1	6813225	SWPNMPUJSHGHMD-INIZCTEOSA-N	361.357	3.161	30	40	FGEB	
COc1ccc(N2CCCN(CCOc3cccc(C#N)c3)CC2)cc1	52467106	CVEFJSUZSAGZPI-UHFFFAOYSA-N	351.450	3.158	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c(F)cccc1F	2653266	ZZCKVUSIWJDIPT-UHFFFAOYSA-N	350.708	3.285	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1)c1ccco1	625864	MECKIBCAFPOBAE-WMLDXEAASA-N	371.364	3.176	30	40	FGEB	
COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)ccc1OC(C)=O	671768	BZUZJNYOYLHQGA-YBFXNURJSA-N	357.435	3.249	30	40	FGEB	
CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1F	662510	ZZGBBAUPXGBVNW-HNNXBMFYSA-N	363.360	3.208	30	40	FGEB	
Oc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c(O)c1O	3239845	HVWDAKPOOPSNLQ-UBKPWBPPSA-N	372.233	3.431	30	40	FGEB	
C=CCN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@H]1CCS(=O)(=O)C1	58264857	GERWOFQMRSITEE-ZDUSSCGKSA-N	367.854	3.210	30	40	FGEB	
Cc1ccc(OCC(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1	4554544	ICKZLXRZZIPBLF-UHFFFAOYSA-N	359.476	3.437	30	40	FGEB	
C=CCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)C2CC2)c2ccccc21	9576075	XKJRRPGLSRLJGK-JOCHJYFZSA-N	360.413	3.345	30	40	FGEB	
N#Cc1cccnc1N1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1	71890479	YYMIFBKTRWWPRN-IBGZPJMESA-N	352.482	3.351	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccccc3S)C(=O)NC2=S)cc1	408756162	UJHJWYRVRXDJAR-GJUHEBOISA-N	369.471	3.050	30	40	FGEB	
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O	223188875	UMGUTRGPVPIEEV-FQEVSTJZSA-N	354.425	3.088	30	40	FGEB	
N#Cc1cccc(N[C@H]2CO[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)n1	96073872	JTOFNCOKBBJCSH-CTNGQTDRSA-N	366.440	3.328	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c1	1776008831	PNUSYZNWDKDNKI-GOSISDBHSA-N	365.433	3.015	30	40	FGEB	
Cc1ncn2ccc(C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)cc12	1776000157	GJJLCUJJAFVHQB-UHFFFAOYSA-N	369.274	3.341	30	40	FGEB	
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3nccs3)N(C)C2=O)c(C)c1	13151740	PYIDSPHLBOGRAT-XXADUYMVSA-N	374.491	3.350	30	40	FGEB	
N=C(S)N/N=C1/C[C@H](c2ccc3c(c2)OCCO3)Oc2ccc(F)cc21	33282860	PJMFWFQNKWVXOR-RDPIHGLISA-N	373.409	3.279	30	40	FGEB	
C=CCn1c(C)nn(CN2CCN(c3ccccc3Cl)CC2)c1=S	12533664	RNWHXFAPMUPKBK-UHFFFAOYSA-N	363.918	3.342	30	40	FGEB	
N#CCCN(Cc1ccco1)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1	58190647	FIAJWJGYXSSLTG-DHZHZOJOSA-N	363.417	3.362	30	40	FGEB	
N#CC1(NC(=O)COc2ccc(Br)cc2F)CCCCC1	5102150	UCMSMNFBIUTHHK-UHFFFAOYSA-N	355.207	3.310	30	40	FGEB	
Cc1cc(C)cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1	14200971	WRIMGRLPFRAKDT-HXUWFJFHSA-N	351.425	3.465	30	40	FGEB	
Cc1cccc(C[C@@H]2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)c1	19790481	CTYMNRVYFXAORD-PKIWBCANSA-N	366.490	3.225	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OCC	409098257	OYGLQHKKAFRWEO-RGVLZGJSSA-N	374.784	3.500	30	40	FGEB	
C/C(=N/N1CCN(Cc2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1	28350774	YIMYFMSQIWOQPU-FXBPSFAMSA-N	352.438	3.445	30	40	FGEB	
CC(C)(C)COc1ccccc1C=Nn1c(O)nc2ccccc2c1=O	409354791	BBXVFPYBAZHTFJ-UHFFFAOYSA-N	351.406	3.409	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1	225923922	TWBLPMRNQIWRPJ-HUUCEWRRSA-N	374.558	3.032	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225035717	AIYKKVGCKBVXSW-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC(C)CC2)cc1	225858314	QALKSNRPOTVVNR-UHFFFAOYSA-N	350.466	3.100	30	40	FGEB	
N#Cc1ccc(N2CCN(c3cc(C4CCC4)nc(C4CC4)n3)CC2)cn1	1888876222	MWDMBLURZFJWTL-UHFFFAOYSA-N	360.465	3.215	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1)c1ccccc1	6691036	MCCXUBZDDDMDID-GOSISDBHSA-N	360.369	3.453	30	40	FGEB	
CCC/C(Nc1ccc(N)cc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	100162985	ROSACZVAPBIXQQ-YHKKIHSWSA-N	358.438	3.092	30	40	FGEB	
COc1ccc(/N=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)cc1	3171665	UJGXJJOGJKGPMT-HYARGMPZSA-N	362.433	3.362	30	40	FGEB	
O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1cccc(O)c1O	3241320	NNQCWQYIFGAODF-NGYBGAFCSA-N	350.161	3.180	30	40	FGEB	
Cc1noc(C)c1S(=O)(=O)/N=C(O)/C=C/c1ccc(OC(C)C)cc1	48491453	UEJAXYIXAIOVEY-JXMROGBWSA-N	364.423	3.437	30	40	FGEB	
C=CCn1cnnc1SCC(=O)Nc1ccc(C)c(Br)c1	8745611	FPXCLAFEHPZOHV-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2C1=O	6231946	HVEQUQCJAJJVRR-IBGZPJMESA-N	360.413	3.276	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1	5642589	ZVJCGINDGFICCD-LBPRGKRZSA-N	355.419	3.418	30	40	FGEB	
N#Cc1cccc(CS(=O)(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c1	329250030	XJQOZGVLLRNEOD-PMACEKPBSA-N	366.486	3.171	30	40	FGEB	
COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C#N)cc2Cl)c1	18963510	BIJZLADUVJIQDG-UHFFFAOYSA-N	358.781	3.324	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C#N	6961395	YHMVFESFTHLEKV-UHFFFAOYSA-N	372.406	3.047	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccs2)no1	9009071	VDFSNJTVQHRIDQ-CQSZACIVSA-N	356.359	3.420	30	40	FGEB	
Cc1cc(=O)oc2cc(OCC(=O)N[C@](C)(C#N)C(C)C)c(Cl)cc12	6365554	JYYWFFOSKUSFBH-GOSISDBHSA-N	362.813	3.188	30	40	FGEB	
CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)cc1	8322333	YAWUVWYALJSBEX-NYYWCZLTSA-N	367.373	3.092	30	40	FGEB	
C=CCn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1ccccc1O	408602578	CSRDVFRYWYNJJJ-UHFFFAOYSA-N	355.379	3.291	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(Oc3ccccc3)c1)n1nnnc1N2	18196053	HATHDRCSCNGBOS-IBGZPJMESA-N	359.389	3.487	30	40	FGEB	
N#Cc1c(CN2CCC(NC(=O)c3ccccc3)CC2)cn2ccccc12	14776859	XQOMYFMXFPLVJQ-UHFFFAOYSA-N	358.445	3.205	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C#N)c1C	5145210	JDLHDWLNBHWIMZ-UHFFFAOYSA-N	365.392	3.327	30	40	FGEB	
C=C(Br)Cn1c(CNC(=O)c2ccco2)nc2ccccc21	40197115	CPAUSBHNHSVDOO-UHFFFAOYSA-N	360.211	3.468	30	40	FGEB	
Cc1sc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(C#N)c1C	22961911	NWTILJVSEFBPLZ-UHFFFAOYSA-N	355.341	3.056	30	40	FGEB	
CCOc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1	3318550	FTBJPZIGOLBXPP-UHFFFAOYSA-N	352.390	3.189	30	40	FGEB	
CC[C@@]1(C)NC(=O)N(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	6354012	VXAUFYLLSAUZRZ-BCVDLATCSA-N	352.438	3.457	30	40	FGEB	
Cc1ccc(C)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1	14171222	OCGFNONRNIYCHV-HXUWFJFHSA-N	351.425	3.465	30	40	FGEB	
N#CCCn1cc(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21	5689069	SUEUJFXARPKYGO-UHFFFAOYSA-N	356.385	3.148	30	40	FGEB	
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	5898256	VVXHFFSKBJIFFP-CABCVRRESA-N	350.422	3.202	30	40	FGEB	
CCOc1ccc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Br	408929533	KQSCPPZBXQYTHB-LUOFJIKJSA-N	355.257	3.380	30	40	FGEB	
COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	218115473	XWKDDDIBWIFTLI-SJORKVTESA-N	372.833	3.322	30	40	FGEB	
CC[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	24193293	UKXBRWSNCNTNFD-SFHVURJKSA-N	362.477	3.480	30	40	FGEB	
Cc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)c1C	256046870	IOTZWWMUYUIOFT-UHFFFAOYSA-N	358.449	3.082	30	40	FGEB	
CCOCCC/N=C1/SC[C@@H](CC)N1C(=O)c1cccnc1Cl	103460019	GVLMZJFNODOQGO-OHEASWGXSA-N	355.891	3.485	30	40	FGEB	
CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)s1	5988026	JXTGYPSRJGUBAX-IKKFDYCRSA-N	359.432	3.217	30	40	FGEB	
CSc1ncc(C)c(OCC2CCN(c3ccc(C#N)cn3)CC2)n1	1888869655	HRXCGTNQLMOVPL-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
Cc1ccc(N/N=C(\Sc2nncn2C)C(=O)Nc2ccccc2)cc1	3616018	KWRSBQWHKDAYMO-XLNRJJMWSA-N	366.450	3.280	30	40	FGEB	
CN(C)/C=C\C(=O)C(Cc1c(Cl)cccc1Cl)C(=O)/C=C/N(C)C	20389635	BJMWOURLXHZUTR-PNQPDEHRSA-N	369.292	3.441	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccnc3)c2C#N)C1	827128	RXFQFDMFRLQRPW-JTQLQIEISA-N	356.476	3.266	30	40	FGEB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1	1410510	DMYROMINBPXZPF-DEDYPNTBSA-N	364.430	3.496	30	40	FGEB	
C=CCn1c(C)nn(CN2CCN(c3cccc(C)c3C)CC2)c1=S	12549281	ININQRFMAJVHCR-UHFFFAOYSA-N	357.527	3.305	30	40	FGEB	
CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2	100821560	LQJDFAOTXGUFSU-AWEZNQCLSA-N	369.446	3.152	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2ncccn2)n(-c2ccccc2)c1C	8710694	FOGOHYNNTYBTLI-UHFFFAOYSA-N	363.446	3.487	30	40	FGEB	
C=CCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21	6295905	MGCKOGCAPUHVAO-RIYZIHGNSA-N	358.444	3.113	30	40	FGEB	
COc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1Cl	14095582	UEYONABSBAEJJL-UHFFFAOYSA-N	370.840	3.470	30	40	FGEB	
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1	4899252	KDYGSHLNSZKUHC-QQZPLFJDSA-N	371.437	3.389	30	40	FGEB	
CS(=O)(=O)c1ccc2nc(/N=C(\O)CN3CCCCCC3)sc2c1	21264721	FEMSBANOTCLYFI-UHFFFAOYSA-N	367.496	3.164	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2ncc(C#N)c2N1	72332734	BKKFHTZUOWQIFK-IBGZPJMESA-N	371.400	3.388	30	40	FGEB	
COc1cccc2sc(N(C)CC(=O)Nc3ccc(C#N)cc3)nc12	70973452	MGCVYCAZIPCNRX-UHFFFAOYSA-N	352.419	3.251	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218093491	OSDRMGRTSKWCQG-HSALFYBXSA-N	371.458	3.181	30	40	FGEB	
COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(C#N)cc1)C2	96269419	AELJRUZFQNMSHW-SFHVURJKSA-N	374.444	3.119	30	40	FGEB	biogenic,in-vitro
COC(=O)/C(=N\Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1	96511621	NJQOTXPCVNNPQK-XDJHFCHBSA-N	366.826	3.021	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	253524960	MLMBQGHFDXSTPD-UQPMZEOESA-N	358.478	3.129	30	40	FGEB	
C=CCOc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1	13717388	OXWBEFDSQGPKCJ-UHFFFAOYSA-N	364.401	3.266	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccnc2)n2ncc(C#N)c2N1	101476744	QMGNGWOGEDEUFF-LJQANCHMSA-N	370.416	3.386	30	40	FGEB	
COc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1	1354693	FPSMQBZVCKQZQQ-CYBMUJFWSA-N	355.463	3.466	30	40	FGEB	
Cn1c(Cc2cccs2)nnc1Sc1ccc(C#N)cc1[N+](=O)[O-]	8762303	JFNFTQWHRLDUOO-UHFFFAOYSA-N	357.420	3.398	30	40	FGEB	
O=c1c2[nH]c3ccc(F)cc3c2nc(O)n1/N=C/c1ccc(Cl)cc1	2292838	FBLQVNLKMBAHKP-DNTJNYDQSA-N	356.744	3.258	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc2sc3ccccc3n12	3495599	XBWFSUVCAQWINJ-MRXNPFEDSA-N	359.480	3.091	30	40	FGEB	
Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)c(C)c1	4547126	WLQZIWPSZQMTON-JOCHJYFZSA-N	362.429	3.414	30	40	FGEB	
Cc1ccc(NC(=O)C[C@H]2S/C(=N\CC(C)C)NC2=O)cc1Cl	6671774	GGDNXEGNBPVAAT-CYBMUJFWSA-N	353.875	3.221	30	40	FGEB	
CCN(Cc1c(C)ccc(I)c1O)C[C@@H](C)C#N	95464152	AXIKVQRLLBZBLA-JTQLQIEISA-N	358.223	3.287	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)NCC)cc1)S(=O)(=O)c1ccc(C)cc1	224475249	YJOBDFQPXLMGHI-UHFFFAOYSA-N	372.490	3.122	30	40	FGEB	
CCN1C(=O)/C(=N\NC(=S)c2ccc3ccccc3n2)c2ccccc21	17108551	ARNSTYPJWGXBSV-PYCFMQQDSA-N	360.442	3.271	30	40	FGEB	
COc1ccc(/C=C/C(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)cc1	575614057	VTYDPAVJZGOWDO-MBNRZODZSA-N	363.417	3.045	30	40	FGEB	
CCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C	33353090	ZWWHUWQNPXLNBX-UHFFFAOYSA-N	352.504	3.286	30	40	FGEB	biogenic
CCCCCCCCCCN(CCOCCOCCO)C(=O)N(C)C	100934494	LFXJRBQQLMUZQT-UHFFFAOYSA-N	360.539	3.136	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(SC)cc3)cc2C1=O	8048931	ZMWXYOJPAPBBHC-UHFFFAOYSA-N	352.415	3.443	30	40	FGEB	
Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c(C#N)c1C	58171550	NVBSOKQLAPXRKQ-MRXNPFEDSA-N	373.254	3.306	30	40	FGEB	
COc1ccc2ccccc2c1/C=N\N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100201317	RYZNRFOSCDAQJF-JKQNOSOUSA-N	372.424	3.235	30	40	FGEB	
Cc1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)o1	13787311	ZLGLIKGUOBVEPG-BOPFTXTBSA-N	355.346	3.035	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(O)cc1[N+](=O)[O-]	14094821	YUOYPHMJLLTTDP-QGZVFWFLSA-N	355.350	3.062	30	40	FGEB	
N#CC1(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)CCCC1	6788099	AHXDAVDQZDEHQF-OAHLLOKOSA-N	354.479	3.386	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CO)[C@H]2c1ccco1	9344543	UIFFGIYWJHREKL-FQEVSTJZSA-N	366.417	3.415	30	40	FGEB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1	408930848	CUTCFJRJCSXZJG-DEDYPNTBSA-N	371.393	3.199	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OCC	409233010	CUJNJLCPFWQOLO-GXDHUFHOSA-N	362.813	3.053	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)s1	225740828	RJLDCFJQWDMKCG-SNVBAGLBSA-N	351.453	3.231	30	40	FGEB	
C=CCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1	224452582	XPQITBGPQGOPJP-UHFFFAOYSA-N	372.490	3.122	30	40	FGEB	
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	1595773	RQUCMIANFRTAJB-LZYBPNLTSA-N	374.205	3.214	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cccc(OC)c21	100909910	LDDOHYIDSNDVOI-VXPUYCOJSA-N	352.415	3.094	30	40	FGEB	
CO/N=C/c1ccc(C(=O)NCc2cccnc2OC2CCCC2)cc1	40091109	UJNCOEOFMHYWDP-YDZHTSKRSA-N	353.422	3.313	30	40	FGEB	
COc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(Br)c1O	32819123	AQNZJVBRXHEHCU-UHFFFAOYSA-N	361.195	3.482	30	40	FGEB	
C#C[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(Br)cc1	8300179	XLLIDDMPQSGISR-HEHGZKQESA-N	363.255	3.341	30	40	FGEB	biogenic,in-vitro
C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1	8478393	OBTCAXZLGXJJIZ-UHFFFAOYSA-N	369.373	3.077	30	40	FGEB	
O=C(C[n+]1cc(Br)cc2ccccc21)c1ccc(O)c(O)c1	1669608	RKDIGLLGBDXGQU-UHFFFAOYSA-O	359.199	3.184	30	40	FGEB	
COc1ccc(C2=NOC(=O)/C2=N\Nc2ccccc2C(F)(F)F)cc1	18192612	REOOUIZMEMLKQW-JCMHNJIXSA-N	363.295	3.443	30	40	FGEB	
CS[C@H]1C(C(=O)c2ccc(C)cc2)=C(CC(=O)O)C(=O)N1CC(C)C	62716434	HWDDZHVTKMOQJF-IBGZPJMESA-N	361.463	3.136	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1cc2cccc3c2n(c1=O)CC3	524730845	ZGRPFXMBPSQWMZ-AWEZNQCLSA-N	363.413	3.231	30	40	FGEB	biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@]3(C)[C@H]1C2	252516562	UHNRJNAOOCIDDJ-CNGZUBJHSA-N	360.450	3.164	30	40	FGEB	biogenic,in-vitro
N#Cc1ccc(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1	30976605	SQDVIZMIVDIRHR-UHFFFAOYSA-N	371.387	3.118	30	40	FGEB	
COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(C#N)cc3)C2)c1	102437729	DGUJWXBGBOXUPO-INIZCTEOSA-N	350.422	3.215	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2ccc(O)cc2O)C(C)(C)c2ccccc21	32957384	SCVNAQQBINPSAX-ODLFYWEKSA-N	367.401	3.135	30	40	FGEB	
C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1	408937206	NDWFLDRVWJGOLC-AQTBWJFISA-N	362.385	3.226	30	40	FGEB	
CCOc1ccccc1-c1nnc(SCC(=O)NC2(C#N)CCCC2)o1	6582904	RRHPJZAZXJEWOJ-UHFFFAOYSA-N	372.450	3.180	30	40	FGEB	
N#CC1(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CC2)CCCCC1	7491458	OKGFVQMHQQGWSV-UHFFFAOYSA-N	360.841	3.257	30	40	FGEB	
N#CC1(NC(=O)CN2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CCCC1	75107798	YCPJHXYMDISINB-UXHICEINSA-N	369.509	3.307	30	40	FGEB	
CC[C@H]1S/C(=N\S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	18101473	ZJALZBDGUMIJME-BQASMSSTSA-N	366.508	3.418	30	40	FGEB	
C=CCNC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C	12274451	MAROUDMYUNATMA-UHFFFAOYSA-N	359.389	3.300	30	40	FGEB	
Cc1cc(NCCN2C[C@@H](C)O[C@H](C)C2)n2c(nc3ccccc32)c1C#N	12558887	ZBNIPVCCCAVTQI-HZPDHXFCSA-N	363.465	3.189	30	40	FGEB	
Cc1c(C(=O)N(CCC#N)Cc2ccco2)cnn1-c1ccc(F)cc1	58184622	QJZWVHMGZAFLNW-UHFFFAOYSA-N	352.369	3.469	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O	409129335	FTFXCKOQTYIESX-MDWZMJQESA-N	350.802	3.216	30	40	FGEB	
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC	85875865	JSGMGEBENKGFCS-AWEZNQCLSA-N	355.390	3.088	30	40	FGEB	biogenic
Cc1cncc(CNC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1	1776007665	SDMIFAQSCDSPFJ-UHFFFAOYSA-N	359.279	3.158	30	40	FGEB	
N#Cc1ccc(N=c2[nH]c([C@H]3CCCCN3Cc3cn[nH]c3)cs2)cn1	585294086	NNTLQDAAFMLQFG-QGZVFWFLSA-N	365.466	3.026	30	40	FGEB	
COC(=O)c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1	16677848	GQFIKYMLFYTYDM-STZFKDTASA-N	357.841	3.283	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C1=O	5112007	JAQPSCQNGVBHOO-GHRIWEEISA-N	371.396	3.483	30	40	FGEB	
COc1cccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1	4860023	WNNKDNBPUPCCPU-GJJHYRHESA-N	362.389	3.204	30	40	FGEB	
CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(OC)cc(OC)c2)cc1	103504545	RWSNJTPREIRZQC-GOSISDBHSA-N	352.390	3.227	30	40	FGEB	
Cc1nn(CC(=O)Nc2ccccc2-c2ccccc2)c(=O)c(C#N)c1C	26717234	SQBYUNKNTXWEAA-UHFFFAOYSA-N	358.401	3.038	30	40	FGEB	
CC(C)n1cc(C#N)c(NC(=O)CCCc2nc(-c3cccs3)no2)n1	72310524	FQQLSRHCQRVURW-UHFFFAOYSA-N	370.438	3.409	30	40	FGEB	
N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NCc1ccco1	17597959	ZEHKAPVSUPVYMK-UHFFFAOYSA-N	360.369	3.291	30	40	FGEB	
CSCC[C@H](C)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	72290440	GXSDGNXARVJHTR-AWEZNQCLSA-N	372.456	3.247	30	40	FGEB	
NC(=S)N/N=C/c1c(NC(=O)c2ccccc2)sc2c1CCCC2	9943032	UUSQYXZKIKPCBO-VXLYETTFSA-N	358.492	3.046	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409374054	YFNSIQQXCFSNAF-CAOOACKPSA-N	352.803	3.326	30	40	FGEB	
C[C@@H]1CCCN(S(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)C1	1775977268	XMMBJXPQWKCROX-LLVKDONJSA-N	365.842	3.287	30	40	FGEB	
CC[C@H]1C(c2ccccc2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(OC)cc2)N1O	5443384	RXOQXWFSOPJIBM-PXNSSMCTSA-N	354.406	3.077	30	40	FGEB	
C[C@@H](C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1cncn1	19079819	SOHAWBQJFCKUOJ-KRWDZBQOSA-N	373.460	3.258	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1	19315232	CUBFDZOYQBNDSA-SFHVURJKSA-N	355.434	3.472	30	40	FGEB	biogenic,in-vitro
Cc1nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)cc(C(C)(C)C)n1	1888847558	ZOCCBOQIKKRULZ-UHFFFAOYSA-N	370.888	3.329	30	40	FGEB	
CCOC(=O)c1sc(/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1C	6052856	YMCGJUIHJLDFPO-UHFFFAOYSA-N	359.363	3.214	30	40	FGEB	
C=CCN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1	14182842	XTZAKNVRFJKOFK-UHFFFAOYSA-N	353.813	3.213	30	40	FGEB	
CCOc1cc(/C=N/c2nnc[nH]2)ccc1OCCOc1ccccc1	4673036	LFZMULYNLBHCJW-DEDYPNTBSA-N	352.394	3.412	30	40	FGEB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1C	8272515	OXZOJDAMVSUSIR-FNORWQNLSA-N	355.390	3.476	30	40	FGEB	
Cc1cc(OCC(=O)Nc2ccccc2C#N)nc(N2CCCCCC2)n1	65101762	GCBFKDQMIHGPOS-UHFFFAOYSA-N	365.437	3.055	30	40	FGEB	
N#Cc1ccc(N2CC[C@@H](Sc3ncnc4ccsc34)C2=O)cc1	73867361	YPGIHNFTNDEGMH-CQSZACIVSA-N	352.444	3.461	30	40	FGEB	
CCOc1cc(/C=N/O)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409066617	BCCMCTCZXNOODX-LICLKQGHSA-N	355.799	3.315	30	40	FGEB	
N#Cc1ccc(N=c2cnc([C@@H]3CCCCN3Cc3ccncc3)c[nH]2)cn1	585293683	JTFQINADNDPZBJ-FQEVSTJZSA-N	371.448	3.031	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1	3219605	NRMACLNZSWMSHO-UHFFFAOYSA-N	362.307	3.301	30	40	FGEB	
C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	4812227	UANKCHLKDFLWDX-HRCADAONSA-N	363.465	3.021	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1CC(=O)O	7353135	KKYUPZZPCRLJRB-WEVVVXLNSA-N	353.374	3.177	30	40	FGEB	
C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1	7361673	RXDUMBJPLLVVLB-CYBMUJFWSA-N	357.479	3.294	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O	409148682	ZRFWLRQOFZNIIY-SFQUDFHCSA-N	364.401	3.353	30	40	FGEB	
CCN(CC)C(=O)C[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	5452804	BSMILUQLIZISAB-UHFFFAOYSA-N	363.590	3.031	30	40	FGEB	
COc1cccc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c1OC	6032893	LWTOEHYQGJDDHA-ODLFYWEKSA-N	354.435	3.442	30	40	FGEB	
CCOCCCn1c(Sc2ncccc2C#N)nnc1-c1ccncc1	32907701	GMSJFNAHRWTAIT-UHFFFAOYSA-N	366.450	3.185	30	40	FGEB	
C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccccc1F	2631030	YWQGEDUVTMBPNF-UHFFFAOYSA-N	374.363	3.041	30	40	FGEB	
CCCCCCC/C(C)=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	102990129	YMRJLVZCLMKAOR-SFQUDFHCSA-N	356.448	3.391	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c1	56248151	AUSDRQDYNNGUBE-MDZDMXLPSA-N	374.444	3.384	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1OC	59959476	WITSPQXUTIIKPB-WJDWOHSUSA-N	371.433	3.341	30	40	FGEB	
COc1cccc(C(=O)OCC(=O)Nc2c(C#N)oc3ccccc23)c1	3527778	GWENAWYIPUMNNV-UHFFFAOYSA-N	350.330	3.109	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc2ncccc2c1	408739606	CYDAOVRYFGZPCX-BFTVFPACSA-N	374.425	3.001	30	40	FGEB	
COC(=O)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1	19849678	REAUZIHQRPXZKP-UHFFFAOYSA-N	351.402	3.174	30	40	FGEB	
O=C1C(Cl)=C(N2CCN(c3ccc(O)cc3)CC2)C(=O)c2ccccc21	4663715	OOAHFETVFAEONJ-UHFFFAOYSA-N	368.820	3.044	30	40	FGEB	
N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1CC(=O)N1CCCCC1	225858144	FINZXHABPNVBJO-UHFFFAOYSA-N	356.857	3.199	30	40	FGEB	
N#Cc1cccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)c1	96229002	LVJVVYZXCOCDNK-QFIPXVFZSA-N	362.477	3.072	30	40	FGEB	
N=C(N)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1	5810479	ICLIXDCBELVJFF-VZMLSGIISA-N	358.401	3.329	30	40	FGEB	
Cc1ccc(NC(=O)C[C@@H]2S/C(=N/c3nccs3)N(C)C2=O)cc1C	13151738	SLRDROFFKXSEMT-XXADUYMVSA-N	374.491	3.350	30	40	FGEB	
N#Cc1ccccc1CSCCNC(=O)c1cc(-c2cccnc2)on1	40131220	GVVXPQUSCDOIAP-UHFFFAOYSA-N	364.430	3.271	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1C	1965030	RFVUVUOQZFAXHN-UHFFFAOYSA-N	359.363	3.265	30	40	FGEB	
CC(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)n(C)c1	46933682	CMWHIUNKIVVOLR-UHFFFAOYSA-N	365.311	3.293	30	40	FGEB	
CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccccc1C#N	24444593	QZVARQUJMOOVMA-UHFFFAOYSA-N	370.352	3.278	30	40	FGEB	
C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCC#N	59104721	VSTRJGNACPCRIC-ROLOMRMFSA-N	371.462	3.248	30	40	FGEB	
COCCCCN1C(=O)[C@@H](Oc2ccccc2F)[C@@H]1c1ccc(C#N)cc1	62581857	OQZPUAXQVPRMQJ-PMACEKPBSA-N	368.408	3.455	30	40	FGEB	
N#Cc1ccc(NCC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1	63583764	UWKXJJNMINOKLU-UHFFFAOYSA-N	352.413	3.212	30	40	FGEB	
CN/C(=N\C(=S)Nc1ccccc1)NC(=O)Nc1c(C)cccc1C	4054738	RLDGXYNKXYGWRH-UHFFFAOYSA-N	355.467	3.397	30	40	FGEB	
Cc1nc(S[C@H](C)C(=O)Nc2ccccc2C#N)c(C(N)=O)c(C)c1C	14254246	BVRPXDJEASGZGA-CYBMUJFWSA-N	368.462	3.097	30	40	FGEB	
C[C@H](Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1)C(=O)O	408943742	LZDUKLAYRVXEGR-DTZICQQMSA-N	353.300	3.398	30	40	FGEB	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)CC1	96004117	FGRMQWUBWBCEQK-SJLPKXTDSA-N	354.454	3.372	30	40	FGEB	
CCOCCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1CC	97164623	SPBLTVBTLICVPR-MRXNPFEDSA-N	364.877	3.176	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252516488	STTNTPUHXVNITG-GUDVDZBRSA-N	359.422	3.230	30	40	FGEB	
C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2	585106675	FCLCJTLQZQZTDQ-NRFANRHFSA-N	366.440	3.198	30	40	FGEB	
CCNC(=S)N/N=C(/c1ccc(OC)cc1)P(=O)(OCC)OCC	5734119	OMHFNSMGNOMNSV-VKAVYKQESA-N	373.415	3.107	30	40	FGEB	
C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	5000836	UJDXNMHLQACVKA-GJZGRUSLSA-N	367.424	3.316	30	40	FGEB	
N#Cc1cccc(N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)n1	1889109978	IJCKFQKWVURKEG-DOMZBBRYSA-N	359.355	3.082	30	40	FGEB	
O=C(C[C@H]1S/C(=N/C2CCCC2)NC1=O)Nc1cccc(Cl)c1	21132055	OBBVXTHXSUJFJR-CYBMUJFWSA-N	351.859	3.199	30	40	FGEB	
Cc1ccc2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1C	4092456	WEIPHBJBWVKGBS-MRXNPFEDSA-N	355.463	3.111	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1ccc2ncsc2c1)c1ccccc1	3397222	UVQPIEJZUJURRV-UHFFFAOYSA-N	365.414	3.400	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2nc(-c3cccnc3)ccc2C#N)CC1	22115500	JEDJIBVEOBFOEP-UHFFFAOYSA-N	365.437	3.072	30	40	FGEB	
C=CCc1cccc(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)c1O	2270890	NTOVXFRFHTXEHK-FOKLQQMPSA-N	374.400	3.203	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(-c2ccccc2)c1	10677756	ZAYXYGDJVJKCMZ-MRXNPFEDSA-N	360.417	3.170	30	40	FGEB	
Cc1cc2nc(N=C3NCN(CCc4ccccc4)CN3)nc(C)c2cc1C	19320623	UORHCVSHCSBQSR-UHFFFAOYSA-N	374.492	3.195	30	40	FGEB	
COc1ccc(CC/C(C)=N\NS(=O)(=O)c2ccc(F)cc2)cc1	6644744	WEDMKOVUAWBGHV-UYRXBGFRSA-N	350.415	3.121	30	40	FGEB	
CCNc1nc(SCC(=O)N[C@](C)(C#N)C(C)C)nc2ccccc12	9690471	DFQFMZREEDGOAO-GOSISDBHSA-N	357.483	3.208	30	40	FGEB	
C=CCn1c(C)nnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1	31842515	PTBKJSYMNRIZCF-UHFFFAOYSA-N	358.383	3.023	30	40	FGEB	
COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	583616148	QNKWOLAFQPVFAY-FPOVZHCZSA-N	350.418	3.079	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC[C@H](C)C2)n1	260707882	CIIMUIIGBZGREF-HNNXBMFYSA-N	374.558	3.176	30	40	FGEB	
Cc1nc(C2=C(N)N(c3ccccc3Br)CC2=O)sc1C	13692592	DKJSVYREIHVVLG-UHFFFAOYSA-N	364.268	3.239	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(C)c21	100910333	YKLTUMVUCPGZGV-HNENSFHCSA-N	351.387	3.294	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	2641620	QHJANKBFWLYWGU-OAHLLOKOSA-N	364.452	3.351	30	40	FGEB	
C=CCOc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OC	7274998	MCDNRXMYKNTLMD-UHFFFAOYSA-N	357.410	3.370	30	40	FGEB	
COc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccc(Cl)s1	46928793	AGELGMGHOOVVEH-UHFFFAOYSA-N	361.828	3.134	30	40	FGEB	
CCOC(=O)COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2	12324563	IAKNSXNGMJTVGO-UHFFFAOYSA-N	366.417	3.413	30	40	FGEB	
COCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(C)cc1)C3=O	12442515	GPYZFKFDRNOMDG-ODLFYWEKSA-N	351.402	3.410	30	40	FGEB	
C[C@@H](/N=C(/S)NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2	13688140	JSDXAZIHPHAWBH-HWWITLHISA-N	365.587	3.189	30	40	FGEB	
Cc1nc(C(=O)Nc2ccc(C#N)c(Cl)c2)nn1-c1ccc(F)cc1	8331546	AKYHFKCURDFLAN-UHFFFAOYSA-N	355.760	3.492	30	40	FGEB	
Cc1oc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C#N)c1C	8748406	DNXJPEXTEUBZNM-UHFFFAOYSA-N	373.718	3.241	30	40	FGEB	
C=CCNC(=S)N/N=C\c1cccc(OCCOc2ccc(C)cc2)c1	38193670	CDVZPHHBAKHRFF-JCMHNJIXSA-N	369.490	3.437	30	40	FGEB	
Cc1ccc(/C(=N/C(=S)N2CCOCC2)NC=C(Cl)Cl)cc1	5277245	XBESBEHFUWZAGJ-UHFFFAOYSA-N	358.294	3.225	30	40	FGEB	
N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1	238872378	NFLINMNHYRGULP-HNNXBMFYSA-N	361.323	3.266	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@H]2c1ccc(C(=O)O)cc1	44902067	BDQLVXPOPIEMGQ-KRWDZBQOSA-N	362.389	3.111	30	40	FGEB	
CCOC1(OCC)[C@H](c2ccccc2)C(C#N)(C#N)C1(OCC)OCC	721487	UBRMXSACLQWQSW-QGZVFWFLSA-N	358.438	3.356	30	40	FGEB	
N#Cc1ccc(OCCOC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1	25029113	ARWVJCQTBBQHNY-UHFFFAOYSA-N	350.374	3.143	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1	3232966	SPHHPHUYJVVNDA-UHFFFAOYSA-N	362.307	3.301	30	40	FGEB	
O=C1/C(=C/c2ccccc2)Oc2cc(OC(=O)N3CCOCC3)ccc21	2402880	QKNLACDWZIVPCE-PDGQHHTCSA-N	351.358	3.134	30	40	FGEB	
COC(=O)C[C@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O	5243911	DMXWJAXBNMNASF-DVSFIDLUSA-N	354.431	3.381	30	40	FGEB	
COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1	409275818	LRRGQHJNPVWYCG-UHFFFAOYSA-N	372.222	3.358	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc(Cl)c3)C2=O)c1	408529167	CGTGTWSKXCOZTP-OAHLLOKOSA-N	355.781	3.250	30	40	FGEB	
Cc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1C	408532516	IHMINPHPFRQYIQ-CQSZACIVSA-N	353.353	3.044	30	40	FGEB	
CN1CCC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1=O	529074803	WRRFVDPVOQOFRC-KRWDZBQOSA-N	364.405	3.093	30	40	FGEB	
C=CCN1CCNC[C@@H](Cc2ccc(-c3ccc(OC)cc3)cc2)C1=O	257246420	IUAVKZDMKPAPQC-HXUWFJFHSA-N	350.462	3.139	30	40	FGEB	
C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1	1776007489	GMZXFGGNXGZAJZ-KBPBESRZSA-N	363.238	3.288	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)n1	5643357	ZWBLYWMZJWQTTL-UHFFFAOYSA-N	368.462	3.003	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1cc([N+](=O)[O-])ccc1Cl	19959669	SNZIKKHZUGVLBA-AYVTZFPOSA-N	359.773	3.108	30	40	FGEB	
Nc1nnnn1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	6476642	QBNCHSOCBBSLLX-SSDVNMTOSA-N	362.368	3.009	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccnc1	20171433	SGPICUNNZAPHGH-CYBMUJFWSA-N	357.483	3.066	30	40	FGEB	
CN1CCN(/C=N/c2nc3c(c(-c4ccccc4)c2C#N)CCCC3)CC1	2585234	WPVZDDWLNXMNKT-LFVJCYFKSA-N	359.477	3.406	30	40	FGEB	
C#CCn1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc21	409250336	XDWJDSIZQMVKJY-SFQUDFHCSA-N	354.431	3.347	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccs2)cc1	6160844	ZDTUISCFMNAMTL-WBMJQRKESA-N	357.431	3.016	30	40	FGEB	
CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	65507131	XNDCGIIIJNZVFO-LBPRGKRZSA-N	368.524	3.429	30	40	FGEB	
COc1ccc(Cl)cc1CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O	14242121	DTTSNMYKVZQZFA-IBGZPJMESA-N	369.808	3.187	30	40	FGEB	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	75297758	YJRMZEPFLKEATI-JVPBZIDWSA-N	350.466	3.439	30	40	FGEB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)cc1	216769164	AMCZWAIMLDSWMI-NRFANRHFSA-N	359.433	3.296	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc(C)cc(C)c21	46084873	BBYGJTJHEONCHB-UZYVYHOESA-N	354.406	3.306	30	40	FGEB	
N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1Cl	54530217	NDWLFBRUMSVVAN-UHFFFAOYSA-N	372.831	3.111	30	40	FGEB	
CC(C)n1cnc(S(=O)(=O)/N=C(\O)CCSc2ccccc2)c1	89490271	ZVELRZNERUCAHX-UHFFFAOYSA-N	353.469	3.292	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(OC)c1	11334715	AJZTWPIBXLVSLR-VOTSOKGWSA-N	353.418	3.437	30	40	FGEB	
C=CCn1c(=O)c2ccccc2n2c(SCc3nc(C)c(C)o3)nnc12	40157806	NJDMKYDRTHOBKI-UHFFFAOYSA-N	367.434	3.127	30	40	FGEB	
N#Cc1c(CN2CCN(C(=O)CCC3CCCC3)CC2)cn2ccccc12	32804079	DBALWUPPGLQTNQ-UHFFFAOYSA-N	364.493	3.426	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COc1ncnc2ccccc12	3359565	VRANIEFKZWLGAB-UHFFFAOYSA-N	350.403	3.263	30	40	FGEB	
N#Cc1cnn(-c2ccccc2NC(=O)C[C@@]23CCCC[C@H]2C3(F)F)c1N	597636472	IEPMQIGGUWUDRV-QAPCUYQASA-N	371.391	3.480	30	40	FGEB	
C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)NC1(C#N)CCCCC1	5872528	JZPHINJQFRZWBQ-LLVKDONJSA-N	352.793	3.367	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)(C)C)cs1	8855988	DSBMAXCLBSOEFE-UHFFFAOYSA-N	358.467	3.189	30	40	FGEB	
Cc1c(Cl)cccc1S(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N	79020407	IDTPMAGUQZWZDY-UHFFFAOYSA-N	352.847	3.272	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccncc1)c1ccco1	795997	LNFWDBMMDSYULA-SFHVURJKSA-N	360.369	3.453	30	40	FGEB	
COc1ccc(C(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1	4945413	APKVLSJYOCJKFS-UHFFFAOYSA-N	372.427	3.150	30	40	FGEB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2)o1	28915621	OYYCITFQRXRDLB-SXGWCWSVSA-N	357.435	3.269	30	40	FGEB	
COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(-c3ccccc3C#N)cc2)c1	12796736	HOZLAHGVZHEEIZ-UHFFFAOYSA-N	369.380	3.094	30	40	FGEB	
Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1	408739343	BESBHUVKLWDZJE-BBJIBYMTSA-N	351.431	3.070	30	40	FGEB	
N#Cc1ncn(CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1	12927369	CUXSLHSRULOHNX-UHFFFAOYSA-N	367.206	3.462	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nncn2-c2ccccc2)n1	7183046	ZYRQDGKOXFAXHY-ZDUSSCGKSA-N	355.448	3.001	30	40	FGEB	
CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1	71817050	IGPOHXAEZOHSSH-MRXNPFEDSA-N	354.385	3.386	30	40	FGEB	
CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218045571	RTRAGWLEUVIDQT-SLFFLAALSA-N	355.459	3.481	30	40	FGEB	
CC/N=C1/S/C(=C/c2cc(Br)ccc2O)C(=O)N1CC	5823482	BIZXHHNBBFMHIH-LUOFJIKJSA-N	355.257	3.467	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c(OC)c1	12874000	SVZCAPJQHRRWJE-UWVJOHFNSA-N	354.358	3.288	30	40	FGEB	biogenic
N#Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)c1	2622546	MMYMRSUTFNHBBY-LJQANCHMSA-N	371.396	3.357	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1	1476201	GCZCXDYIEXPIKF-CQSZACIVSA-N	361.825	3.440	30	40	FGEB	
N#CCC[C@H](C#N)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O	28918332	XQSRAGRCGQNBHH-XRTORIHISA-N	350.422	3.078	30	40	FGEB	
COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1C	4026316	DXPBJRRTCWVKOE-BQYQJAHWSA-N	373.405	3.340	30	40	FGEB	biogenic
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1	4331396	OROYDZBKYQRJNR-CYBMUJFWSA-N	367.478	3.376	30	40	FGEB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)ccc2C#N)cc1	4372086	URFGREIVWJVDDJ-UHFFFAOYSA-N	355.419	3.169	30	40	FGEB	
C[C@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-n1cnnn1	65453362	AQXKJCVZQGVUST-CYBMUJFWSA-N	364.434	3.166	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	4412232	IZOPJPQAGIRSHH-KRWDZBQOSA-N	369.494	3.478	30	40	FGEB	
C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(SC)s2)n1	6748093	XNTZQQGWXZFBHY-UHFFFAOYSA-N	359.889	3.234	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3ccc(Cl)cc3)C2=O)c1	408535309	NNVFTWIIHIYUTA-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218362002	RFLKWMVSTSCAJK-HSALFYBXSA-N	355.459	3.400	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3cccc(OC)c3O)C2=O)s1	136426070	XATIKRUNFMQJDD-GGIXIOLLSA-N	361.448	3.233	30	40	FGEB	
C=C(CC(=O)OCCCCCCCCCCCC)C(=O)OC[C@H](O)CO	205083405	CRNMCVUAFQSNJS-GOSISDBHSA-N	372.502	3.293	30	40	FGEB	
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(F)cc3)[C@]12C#N	100196529	JHXWOSNCSXBZOP-IMJJTQAJSA-N	360.483	3.474	30	40	FGEB	
CCCCCCCN1C(=S)N(C)C(=O)[C@@H]1CC(=O)Nc1ccccc1	2728475	QYGGQSAWOKLVIZ-INIZCTEOSA-N	361.511	3.413	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1Cl	4540488	GHWWIXNQJQPFBO-CQSZACIVSA-N	358.221	3.314	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1	7656187	CNUOFBASLNBOGZ-UHFFFAOYSA-N	373.206	3.045	30	40	FGEB	
N#Cc1c(OCC(=O)NCc2ccccc2)nc(-c2ccco2)c2c1CCC2	12323009	YGXMUGZPCBGWEM-UHFFFAOYSA-N	373.412	3.397	30	40	FGEB	
COc1ccc(C)cc1C/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1	58152799	FKLQWXHINLDRQX-UHFFFAOYSA-N	368.842	3.081	30	40	FGEB	
CC/N=C1\S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C(=O)N1CC	4030253	ZFWLNFKKPFZNGQ-ZZCYQEOYSA-N	369.446	3.488	30	40	FGEB	
C=CCc1c(C)nc2nc(CC(=O)Nc3ccc(Cl)cc3)nn2c1C	13628002	WKXMSULHVVCWPH-UHFFFAOYSA-N	355.829	3.304	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N/Nc2nnc(-c3ncc[nH]3)c3ccccc23)c1	5072429	OJUGMNDHCBFJAM-SRZZPIQSSA-N	359.349	3.374	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1cccc([N+](=O)[O-])c1	17208438	HPINGBWBNLQIOF-UHFFFAOYSA-N	366.372	3.319	30	40	FGEB	
C=CCc1cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1OC	408702886	JNVDQWZIWYZVQQ-UHFFFAOYSA-N	374.462	3.072	30	40	FGEB	
COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC	33816271	VEICJBHTYKFGKB-KGENOOAVSA-N	356.422	3.300	30	40	FGEB	
C[S@](=O)c1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1F	619789041	XNBXBPIVPSZLOB-DEOSSOPVSA-N	365.817	3.410	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/C[C@@H]2CCCN3CCCC[C@H]23)c2c(c1)COCO2	5943652	LCQLZWUKIDJILB-DIFHSRHFSA-N	359.426	3.145	30	40	FGEB	
COc1ccc(-c2nnc(CO/N=C(\N)c3ccc(Cl)cc3)o2)cc1	14369086	MJLABDSRSGEAEB-UHFFFAOYSA-N	358.785	3.236	30	40	FGEB	
CN(C)Cc1cc(C(=O)/C=C/c2ccc(O)cc2)cc(CN(C)C)c1O	16958867	GENGBDBCCZWCCY-JXMROGBWSA-N	354.450	3.117	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@H]1C2	253407540	WNQOWPFARWIGAD-QGLAHUQNSA-N	362.466	3.147	30	40	FGEB	biogenic,in-vitro
Cc1cccnc1NC(=O)[C@@H]1CCCN(c2snc(Cl)c2C#N)C1	52468948	JIRMSZGEOQSBJK-LLVKDONJSA-N	361.858	3.227	30	40	FGEB	
COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OC(=O)c1ccco1	4866591	QZFDGXRWMCQBLN-RGVLZGJSSA-N	366.377	3.360	30	40	FGEB	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Br)cc1	8300041	BBEXUNRGQJNLIM-HEHGZKQESA-N	364.287	3.467	30	40	FGEB	biogenic,in-vitro
Cc1c(C#N)c(SCC(=O)N2CCc3sccc3C2)nc2c1CCC2	12552901	AHGZNVWRNIEOKP-UHFFFAOYSA-N	369.515	3.489	30	40	FGEB	
CN(CCOc1ccc(Br)cc1)C(=O)c1cccc(C#N)c1	23562421	HEHGUPUEVKVYLA-UHFFFAOYSA-N	359.223	3.472	30	40	FGEB	
Cc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1C	408742664	XQKLQPWBCUNPEJ-PZUDMAOCSA-N	351.431	3.070	30	40	FGEB	
N/C(=N\CCc1c[nH]c2ccc(Cl)cc12)Nc1ccc([N+](=O)[O-])cn1	225235355	MUWHIJIDNGLBLW-UHFFFAOYSA-N	358.789	3.094	30	40	FGEB	
N#C/C(=N/Nc1ccc(Br)cc1)c1nnc2n1CCCCC2	5715283	HYBZFXVYFOZAGM-UYRXBGFRSA-N	359.231	3.107	30	40	FGEB	
Cc1ccc(S(=O)(=O)OC[C@H](C)NC(=O)OCc2ccccc2)cc1	4071331	QRSKPZVANSMRKF-HNNXBMFYSA-N	363.435	3.015	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N(C)C)cc1	32828731	LGUCIUNZDZTNPM-KRWDZBQOSA-N	366.446	3.043	30	40	FGEB	
Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1	6642574	RHCSGDSRUZDCDH-ZDUSSCGKSA-N	372.808	3.469	30	40	FGEB	
COc1ccc(COC(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1	1396127	SNVPDTSEKRYWGA-UHFFFAOYSA-N	371.776	3.451	30	40	FGEB	
C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CN2CCCC2=O)c1	58192986	WSWXSRBTPOQHLT-UHFFFAOYSA-N	364.420	3.224	30	40	FGEB	
CC(C)(C)OC(=O)N1CCC[C@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)C1	48326085	VMLPAWDWRSPDMM-LBPRGKRZSA-N	372.429	3.102	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)cc1OC	12878298	YLFVSPQNLQQHRG-OCKHKDLRSA-N	354.358	3.288	30	40	FGEB	biogenic
CCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2ccc(C(C)=O)cc2)s1	48473250	KKULOFUKEYIAIF-UHFFFAOYSA-N	366.464	3.300	30	40	FGEB	
N#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21	9189740	MOUPHCVIDOHFLF-WOJGMQOQSA-N	374.375	3.397	30	40	FGEB	
CCc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N	7268152	KDPCGHOLKKLHPB-OAHLLOKOSA-N	364.449	3.018	30	40	FGEB	
C[C@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)c1ccccc1	9578362	VCZQDWTYVOFLJI-NSHDSACASA-N	351.387	3.265	30	40	FGEB	
Cc1c(CNCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc(C#N)n1C	75831164	ZYUAQBNHCDOEIZ-IRXDYDNUSA-N	366.509	3.104	30	40	FGEB	
C=CCn1ncc(CN2[C@H]3CC[C@H]2c2cnc(N4CCCC4)nc2C3)c1C	257321355	WBHOPMBYZZEXHQ-PXNSSMCTSA-N	364.497	3.030	30	40	FGEB	
CC1=NN[C@@H]2N[C@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@@H]12	16607994	NWKTUUJCENYCME-RLLQIKCJSA-N	352.482	3.004	30	40	FGEB	
Cc1ccc2nc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2c1	4583397	AXOLXEZJXKWJQE-UHFFFAOYSA-N	362.458	3.439	30	40	FGEB	
Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccco2)s1	102735929	HQKKDZDHBYBPGY-RVROTUBLSA-N	373.415	3.127	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2ccc(F)cc2)c(OC)c1	7601820	PBOJDPHWFCARNF-UHFFFAOYSA-N	369.400	3.198	30	40	FGEB	
N#Cc1cccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)c1	57507999	JILFIBFBWVUGOW-UHFFFAOYSA-N	360.398	3.122	30	40	FGEB	
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(Cl)cc3)cnc12	2383536	UUQJNSGTESGCCA-ZVBGSRNCSA-N	352.781	3.422	30	40	FGEB	
CCOc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1OC	3584303	DZWLJWODGPCAIW-UHFFFAOYSA-N	353.422	3.036	30	40	FGEB	
COc1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1C	14184029	JSUVTOQWEGFYJU-LJQANCHMSA-N	367.424	3.165	30	40	FGEB	
Cc1sc2ncnc(NCC(=O)OCc3ccc(C#N)cc3)c2c1C	7651262	FGJOSSFMQDMLRN-UHFFFAOYSA-N	352.419	3.335	30	40	FGEB	
C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cccc(C)c21	32073014	HKFKITBBWOHULM-OAQYLSRUSA-N	362.433	3.204	30	40	FGEB	
C[C@@H](O/N=C(/N)Cc1ccccc1Cl)C(=O)Nc1cccc(C#N)c1	78695925	JFEILNUCIBCRLA-GFCCVEGCSA-N	356.813	3.070	30	40	FGEB	
CC(C)(C)C(=O)/C=C1/SCC(=O)N1Cc1nnc(-c2ccccc2)o1	72242332	OYYCITFQRXRDLB-CXUHLZMHSA-N	357.435	3.269	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCC4)CC3)CC2)cc1	225925953	BINCXSBLWHJGRW-UHFFFAOYSA-N	354.450	3.373	30	40	FGEB	
C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C	594529190	PKWPRGFDUWKXGF-DDTOSNHZSA-N	363.845	3.146	30	40	FGEB	
CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	5197201	QFSHLMQCPDQOFL-OBGWFSINSA-N	373.321	3.127	30	40	FGEB	
CN(C)CCC[C@](O)(c1ccc(Cl)cc1)c1ccc(C#N)cc1CO	22057928	ARXRIJOUIXNUGC-FQEVSTJZSA-N	358.869	3.282	30	40	FGEB	in-vitro
COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCN(C(C)C)C(C)C)c1	22145553	JRHTUXFRWLWMEZ-IBGZPJMESA-N	374.481	3.098	30	40	FGEB	
Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H]2CCCO2)n(C2CCCC2)c1C	46543133	LOZLBQAUVGOILD-INIZCTEOSA-N	373.453	3.143	30	40	FGEB	
CCc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C(=O)O)nn32)cc1	8559251	WYZKEUIXCUZRKJ-INIZCTEOSA-N	366.421	3.197	30	40	FGEB	
COc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1	3128352	IRERSTOCJGZYKD-UHFFFAOYSA-N	361.357	3.352	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1	2240529	GWLOWEPBOXLADN-OAHLLOKOSA-N	350.422	3.347	30	40	FGEB	
COc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1	18286056	KCCAXKJEVBYBRN-OAHLLOKOSA-N	373.409	3.082	30	40	FGEB	
C=CCn1cnnc1SCC(=O)c1cc(C)n(CC(F)(F)F)c1C	6589026	YGPUZQHNZMBVCO-UHFFFAOYSA-N	358.389	3.420	30	40	FGEB	
C=C(C)CN(CC)C(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O	4602723	WHHYUOBINLFJTH-XMHGGMMESA-N	352.434	3.280	30	40	FGEB	
C=CCOc1ccc(Br)cc1/C=N/n1c(C)nnc1S	408846523	KEZPSHLWDVSHQH-OVCLIPMQSA-N	353.245	3.085	30	40	FGEB	
N#Cc1cccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c1	67258001	IRIYOGZJGRSRJX-UHFFFAOYSA-N	359.410	3.134	30	40	FGEB	
CCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3c(c2)OCO3)cc1	15933968	QKLGTDDGUDUYLY-UYRXBGFRSA-N	360.435	3.070	30	40	FGEB	
N#Cc1ccc(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1	68427997	FVPFKGZGYHPMSC-UHFFFAOYSA-N	355.445	3.337	30	40	FGEB	
COc1cc(OC)c(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1	408930689	ASTVUEMUOYODNT-KGENOOAVSA-N	356.422	3.300	30	40	FGEB	
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccs1	225135965	VOSKNANDFLZJDG-UHFFFAOYSA-N	354.409	3.046	30	40	FGEB	
C=CCOc1ccc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)cc1	1501040179	CULOJGYSAGVQFB-AWEZNQCLSA-N	355.467	3.227	30	40	FGEB	
CCN(CCC#N)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1	12139319	BFJMYCIJJFCTIA-XMHGGMMESA-N	374.469	3.197	30	40	FGEB	
C=CCOc1c(Br)cc(/C=C2\C(=O)ON=C2C)cc1OC	13124894	HMIAITMIMICAAW-WDZFZDKYSA-N	352.184	3.339	30	40	FGEB	
COc1ccc(C/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	5257318	RKWYGFXOYQMWJQ-CAOOACKPSA-N	360.326	3.161	30	40	FGEB	
COC(=O)CCCNC(=S)Nc1cccc(C#Cc2cccs2)c1	40058895	ANHDIYQYOFUPTP-UHFFFAOYSA-N	358.488	3.388	30	40	FGEB	
CCOc1cc(C(=O)N(CC#N)C(C)C)ccc1OCc1ccncc1	79102298	MKBYLRSVFVMHPC-UHFFFAOYSA-N	353.422	3.433	30	40	FGEB	
C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21	1320652	MAKPAENYOJZTBH-OAQYLSRUSA-N	351.402	3.079	30	40	FGEB	
C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ncccc1OCCCC#N	97164549	XBKTZCKLNQFFLZ-HZPDHXFCSA-N	360.458	3.481	30	40	FGEB	
CCOC(=O)Cc1csc(N/N=C\c2ccccc2Br)n1	5010193	MMMSAPYIOALTFG-PXNMLYILSA-N	368.256	3.457	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12	6625747	GBWKOHFFHFEALN-VFNWGFHPSA-N	373.456	3.414	30	40	FGEB	
N#CC1(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)CCCCC1	9447428	IGTMRRKBCLLOBG-UHFFFAOYSA-N	359.430	3.046	30	40	FGEB	
N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[C@H](c2ccccc2)C1	256045618	ADAMSZLYYKGONF-HNNXBMFYSA-N	360.377	3.041	30	40	FGEB	
C#CCN1CCC(C(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)CC1	72270332	WSFSFPGMSKYPCT-QGZVFWFLSA-N	368.506	3.364	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccccc2C)sc2cc(NC(C)=O)ccc21	100875852	VBLCYZVSYJZNEJ-XDOYNYLZSA-N	363.442	3.344	30	40	FGEB	
Cc1nnc(NC[C@H](c2ccccc2Cl)N2CCOCC2)c(C#N)c1C	40083087	TXOIKFDISNIFBS-GOSISDBHSA-N	371.872	3.104	30	40	FGEB	
COc1ccc(NCC(=O)NC2(C#N)CCCCCC2)cc1OC(F)F	40061317	ZIGYIHAFYMBJBU-UHFFFAOYSA-N	367.396	3.441	30	40	FGEB	
O=C(O)C(=O)/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1	2893300	PPQUZLYRVSWLKL-MOSHPQCFSA-N	365.172	3.298	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	3483897	ZKDCMCWSJGINJM-UHFFFAOYSA-N	350.447	3.329	30	40	FGEB	
CC(C)Cn1nc(C(=O)N(C)c2cccc(C#N)c2)c2ccccc2c1=O	58008887	ALRSBAFZYCRVDS-UHFFFAOYSA-N	360.417	3.201	30	40	FGEB	
COc1ccc(OCCNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1	10291956	SMVRGXYEMNHLNG-UHFFFAOYSA-N	365.389	3.068	30	40	FGEB	
N#Cc1c(Cl)nsc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1	63248319	GRNRBIZUFAVKFH-CYBMUJFWSA-N	362.842	3.398	30	40	FGEB	
COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc([N+](=O)[O-])s1)NCC2	5322596	NMPVQISASVCJLO-XFXZXTDPSA-N	360.391	3.043	30	40	FGEB	
C[C@H](CNc1oc(C23CC4CC(CC(C4)C2)C3)nc1C#N)N1CCOCC1	72238607	VEVVMEVSXRGDBG-LFPRZYRFSA-N	370.497	3.147	30	40	FGEB	
Cc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1C#N	151283134	KMBYVGSUTALDRP-CJNGLKHVSA-N	362.476	3.079	30	40	FGEB	
Cc1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1Cl	104228293	DSWCEBKKFQOJEL-ZVBGSRNCSA-N	373.771	3.083	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O	105644799	LSJKRDNFIMUTBO-NAMSLIHLSA-N	360.413	3.380	30	40	FGEB	
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC(F)F)c1	46035875	ACBSORZPRDVSDB-LLVKDONJSA-N	352.362	3.199	30	40	FGEB	
N#CCCN(CCC#N)C(=O)CSc1ncc(-c2ccc(F)cc2)o1	8734167	XXEQZBKOXGRROS-UHFFFAOYSA-N	358.398	3.229	30	40	FGEB	
CCc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	19327116	VCUKEXCNGCUBKI-IFXJQAMLSA-N	366.513	3.477	30	40	FGEB	
CN(C(=O)CSc1nncn1-c1ccccc1F)C1(C#N)CCCCC1	6129494	CBLKSRNEYGDFIX-UHFFFAOYSA-N	373.457	3.183	30	40	FGEB	
CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)cc1OC	409355034	BTFPANRWRZAMOF-UHFFFAOYSA-N	373.796	3.045	30	40	FGEB	
N#Cc1c(NC(=O)c2ccnc(Oc3ccccc3)c2)nc2n1CCS2	84556920	YFYKMENOXUOADJ-UHFFFAOYSA-N	363.402	3.300	30	40	FGEB	
C#CCN1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1	75136812	NXAJQHWOQYTATE-KRWDZBQOSA-N	365.433	3.227	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C/C(=N\O)c1ccccc1)N(C)CC3)OCO2	43737521	FBWKJYJCSSZORR-GXPOEHQZSA-N	354.406	3.222	30	40	FGEB	
COC(=O)c1ccc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cc1	6247648	JGXCKUYEMSHXDQ-VBKFSLOCSA-N	361.353	3.216	30	40	FGEB	
COc1ccc(/C=N/n2nnnc2Nc2cccc3ccccc23)cc1OC	5393932	DUFGFQQYJORPQQ-FYJGNVAPSA-N	374.404	3.469	30	40	FGEB	
CCc1ccc2c(c1)C(=O)NC1=C(c3nc4ccccc4s3)C(=O)CN12	102140375	MCWHPPPBYPLJFC-UHFFFAOYSA-N	361.426	3.360	30	40	FGEB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(C#N)CC1	58405582	FGCDBUHTZGFAOV-UHFFFAOYSA-N	360.820	3.408	30	40	FGEB	
CC(=O)Nc1ccc(SCc2nc3ccccc3c(=O)n2CC#N)cc1	3433789	GGQHOTXKXRJKLC-UHFFFAOYSA-N	364.430	3.171	30	40	FGEB	
CCCc1nc(C)c(/C(O)=N/S(=O)(=O)Cc2ccccc2C#N)s1	48507460	GYOYDDCKYDNGJA-UHFFFAOYSA-N	363.464	3.110	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)C(C)(C)c2cccc(C#N)c2)s1	83150801	KQKJXOUQDQMZDP-UHFFFAOYSA-N	363.464	3.255	30	40	FGEB	
C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccccc1	4712947	HREPGTQTOXFPLC-DDLUMYACSA-N	368.418	3.149	30	40	FGEB	
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408719480	PUOZFWQDQFQMQI-MRXNPFEDSA-N	357.391	3.237	30	40	FGEB	
C[C@@H]1C[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C	76040374	YGDQETPBGAIQBO-HUUCEWRRSA-N	374.554	3.242	30	40	FGEB	
C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1	1903989	NITUGAYYOAGPPJ-ODUNQGDFSA-N	363.460	3.316	30	40	FGEB	
C=CCONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	3029429	AJRIDIYCAXIBCI-UHFFFAOYSA-N	373.249	3.416	30	40	FGEB	
N#Cc1ccc([C@@H](Sc2nnc(Nc3ccccc3)s2)C(N)=O)cc1	97212517	ALQJLLCYZPXNRF-CQSZACIVSA-N	367.459	3.472	30	40	FGEB	
COc1ccccc1[C@@H](C(C#N)C#N)[C@H]1C(=O)N(c2ccccc2)N=C1C	100700261	ZSFIALJLOUQNOZ-VQTJNVASSA-N	358.401	3.481	30	40	FGEB	
O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1ccn(-c2cccc(Cl)c2)n1	58197783	HHOBPINXOFXUMZ-UHFFFAOYSA-N	365.784	3.342	30	40	FGEB	
Cc1nnc(N2CCN(Cc3cccc4ccccc34)CC2)c(C#N)c1C	24054597	SHYMFMYICLGVCM-UHFFFAOYSA-N	357.461	3.441	30	40	FGEB	
COCCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O	409050378	VDMQGILUNGOHBJ-UHFFFAOYSA-N	367.445	3.452	30	40	FGEB	
C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(F)cc1	224910298	UCAYQWHSBTUCGP-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
CNc1cc(N2CCC[C@H]2CNc2nc(C(C)(C)C)ccc2C#N)ncn1	613420732	LAIOZPNBNOTONE-HNNXBMFYSA-N	365.485	3.163	30	40	FGEB	
Cc1nc(N2CCCCC2)sc1C(=S)NC(=O)c1ccc(C#N)cc1	2649077	XDQUUXLLCKDIKW-UHFFFAOYSA-N	370.503	3.419	30	40	FGEB	
CCOc1ccccc1C(=O)NCCCC(=O)Nc1cccc(C#N)c1	7461793	QPCLSMZPIWZMGF-UHFFFAOYSA-N	351.406	3.106	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)NCc3cccc(Cl)c3)CC2)cc1	23995235	XBSWEFCVAICFBK-UHFFFAOYSA-N	368.868	3.239	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2F)cc1	1245497	ZCEMFOGCGNTKAV-SFHVURJKSA-N	368.364	3.273	30	40	FGEB	
O=C(COc1ccc(Br)cc1/C=N\O)Nc1ccc(F)cc1	105719314	YPDMOSMMDUNXMD-LSCVHKIXSA-N	367.174	3.414	30	40	FGEB	
CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1	58203258	VTSHCNHGYJSNSS-UHFFFAOYSA-N	354.498	3.354	30	40	FGEB	
COc1ccc(/C=N/c2nnc[nH]2)cc1COc1ccc([N+](=O)[O-])c(C)c1	2291351	YAKKXOCAMVSEIT-DJKKODMXSA-N	367.365	3.360	30	40	FGEB	
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	3430238	YJFYWUKKFDWRSX-UHFFFAOYSA-N	362.838	3.323	30	40	FGEB	
O=C(NCc1nnc2ccccn12)c1ccc(C#Cc2ccccc2)cc1	8940848	VDIFKVHXFWPSGZ-UHFFFAOYSA-N	352.397	3.059	30	40	FGEB	
COCc1c(C(=O)OCC(=O)NC2(C#N)CCCCC2)oc2ccccc12	5200178	FAHNRAVSBCOAPR-UHFFFAOYSA-N	370.405	3.079	30	40	FGEB	
COc1ccc(C/C(N)=N/OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC	4723506	BKFWJBWWROLWQC-UHFFFAOYSA-N	372.465	3.278	30	40	FGEB	
C[C@]1(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1(Cl)Cl	6899770	MRTAELUACCRKML-CYBMUJFWSA-N	361.612	3.277	30	40	FGEB	
COc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1OC	16768418	FRHWLIYFLJRDMQ-RTIZMKJZSA-N	369.421	3.347	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3ccc(F)cc3)C[C@@H]2c2nccs2)C1=O	306135320	ONMYQPDHZVGKMW-YLJYHZDGSA-N	371.481	3.286	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)N1CCOCC1	409236778	HEXCQMZNSGPZCD-BKUYFWCQSA-N	358.825	3.328	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1F)n1ncnc1N2	19959894	FBSXJLNPHRQVAO-BBATYDOGSA-N	350.353	3.426	30	40	FGEB	
C[C@]1(C(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC=CCC1	1565550041	NMFSKATYJXHDRR-FCHUYYIVSA-N	363.461	3.260	30	40	FGEB	
C=CCc1ccccc1OC[C@H](O)CN1CCN(c2ccc(C)cc2)CC1	23212014	BEYGANIWMHXXHZ-JOCHJYFZSA-N	366.505	3.285	30	40	FGEB	
N#CCCn1cc(C(=O)Cn2cnc3ccsc3c2=O)c2ccccc21	9315249	QKQZWNRZLIPTIB-UHFFFAOYSA-N	362.414	3.209	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nncn1-c1cc(C)ccc1C	12557913	LIVUEHLYAGMSRC-UHFFFAOYSA-N	356.495	3.284	30	40	FGEB	
CC[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1	9544516	YLPLVOHIOKMTKZ-MRXNPFEDSA-N	351.450	3.106	30	40	FGEB	
COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)/C(=N/c2ccccc2)S1	4880621	JVAQIAQIQWNLJX-JVMRMLDLSA-N	369.446	3.285	30	40	FGEB	
Cc1ccccc1-n1nc(C(=O)O)c(/C=C/c2cccs2)c(C#N)c1=O	409204843	KDSZMUFQHXNKFJ-CMDGGOBGSA-N	363.398	3.343	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O	408916486	DFLJGFPVQYAWMJ-UXBLZVDNSA-N	372.627	3.478	30	40	FGEB	
Cc1ncc(S(=O)(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1C#N	577455637	WZBMVZPSEMGMDI-FQEVSTJZSA-N	367.474	3.492	30	40	FGEB	
C=CCCCC(=O)N1CCC2(CC1)CN(C(=O)c1ccc(CC)o1)CCO2	1775993253	YJDZIZCDDFSUAD-UHFFFAOYSA-N	374.481	3.032	30	40	FGEB	
N#Cc1ccc(CC(=O)N2CCc3c(COCC4CC4)cncc3C2)cc1	1565552886	BDEFWUGYKPCBHX-UHFFFAOYSA-N	361.445	3.007	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)O)N2c3ccccc3C=C[C@H]21	17207767	SVPDJKRQYKLPDS-IPMKNSEASA-N	359.360	3.312	30	40	FGEB	
CCc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)ncc(C#N)c2=O)c1	49006167	UCMJACPPFZBDSB-UHFFFAOYSA-N	372.428	3.292	30	40	FGEB	
CCN(CC)c1ccc([C@@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1	20102598	QNSUIRMAHSWLIF-LJQANCHMSA-N	372.432	3.142	30	40	FGEB	
O=C(C[C@@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O)NCc1ccccc1	21133546	AEVRMUHYQDBOKJ-HNNXBMFYSA-N	373.865	3.266	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccncc1	1225109	NVTREGWYEKHNEN-AWEZNQCLSA-N	357.483	3.019	30	40	FGEB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccccc2)C=C(Br)C1=O	101028359	KWBICZBPNXISCL-SSZFMOIBSA-N	354.225	3.014	30	40	FGEB	
C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccsc1	59514385	NDWWENOPTNZSEO-CPNJWEJPSA-N	371.514	3.360	30	40	FGEB	
COc1ccccc1CN/N=C/c1ccccc1I	20761927	KOFOPYBGJJKEEM-LICLKQGHSA-N	366.202	3.424	30	40	FGEB	
CCCN1C(C(=O)c2ccccc2)=C(OC)c2ccccc2S1(=O)=O	5302638	DERXSUBALBBVDQ-UHFFFAOYSA-N	357.431	3.299	30	40	FGEB	
Cc1occc1-c1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1C	7236594	KBOAAMDBMAPUIQ-CYBMUJFWSA-N	373.482	3.207	30	40	FGEB	
C=CCS(=O)(=O)/N=C(O)/C=C/c1ccc(OCc2ccccn2)cc1	89913981	DKEVDVZCKLMVMC-DHZHZOJOSA-N	358.419	3.146	30	40	FGEB	
N#Cc1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1	409347140	MKEVSHMNABKABS-UHFFFAOYSA-N	356.341	3.116	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnn(CC)c1	36631399	FANCLQRNUGNLPT-UHFFFAOYSA-N	353.451	3.323	30	40	FGEB	
CN(Cc1cc(Br)ccc1Cl)C(=O)C1(C#N)CCOCC1	331224310	ZNKOVTJMAMGGQH-UHFFFAOYSA-N	371.662	3.381	30	40	FGEB	
C=CCN1C[C@H]2CN(C(=O)CC(F)(F)F)CC[C@]2(c2ccccc2)C1	96083266	DFLHKAJYIUUBFE-FUHWJXTLSA-N	352.400	3.227	30	40	FGEB	
C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2	585106988	MYKFTDZLRDWZHS-QFIPXVFZSA-N	362.477	3.496	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(/N=C2C=CC(=O)C=C2)c2ccccc2)cc1	4167588	ALGDHZCKMQKCTK-LSDHQDQOSA-N	364.426	3.267	30	40	FGEB	
COC(=O)C[C@@H]1Cc2cc3cccc(O)c3c3c2C(=C/C(=C/C(C)=O)O3)O1	4293364	HIZAPXXWZHIWBZ-XXUROBRHSA-N	366.369	3.256	30	40	FGEB	
N#CC1(c2ccccc2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1	1888928906	PCMXXZTWMHVMLD-UHFFFAOYSA-N	372.354	3.205	30	40	FGEB	
CC1CCC(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)CC1	52801412	REVZNDYGZVQNRA-QPIRBTGLSA-N	368.525	3.154	30	40	FGEB	
COc1ccc(OC)c(/C=N/n2cnnc2SCc2ccccc2)c1	940346	RGQKMWFKRZRGTF-RGVLZGJSSA-N	354.435	3.470	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1	58197797	YOUCZZHVAAAKIC-INIZCTEOSA-N	355.482	3.096	30	40	FGEB	
CCn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2ccccc21	28182750	SCLVIGXZHCWWQZ-OCKHKDLRSA-N	362.385	3.142	30	40	FGEB	
Cc1ccc(-c2c[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)c3n2CCC3)cc1	17206274	GORAUZQQSBERBJ-UHFFFAOYSA-N	362.409	3.488	30	40	FGEB	
CCOc1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cc1	95365149	ORCABDGERDJOHX-UHFFFAOYSA-N	371.824	3.207	30	40	FGEB	
COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCC#N	33613338	SCDKVCOCEDNQCC-ZLAKOQMZSA-N	371.443	3.472	30	40	FGEB	
C=CCN(CC(=O)OCC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	95381763	YQPHZKTYKVPWSS-UHFFFAOYSA-N	362.426	3.225	30	40	FGEB	
COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(OC)c1	888405	LQNPDUSQQATVLN-UHFFFAOYSA-N	357.435	3.318	30	40	FGEB	
Cc1ccc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2ccccc2)cc1C	6205540	OKMAXISQJUYAQN-GOSISDBHSA-O	369.510	3.298	30	40	FGEB	
N#Cc1cccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c1	1888853935	BLPIOJDTGIJKJI-UHFFFAOYSA-N	362.355	3.410	30	40	FGEB	
CN(C)c1nc(N/N=C/c2ccccc2)nc(Nc2ccc(F)cc2)n1	4474704	ZTRGUTYNDAMQMV-UDWIEESQSA-N	351.389	3.266	30	40	FGEB	
Cc1ccc(C(=O)NC2CCN(c3snc(Cl)c3C#N)CC2)s1	50954707	IZRVVKSRZPJMJE-UHFFFAOYSA-N	366.899	3.437	30	40	FGEB	
CN(C)CCCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2	12324219	DNDNWLVJQJQTMK-UHFFFAOYSA-N	355.438	3.395	30	40	FGEB	
COc1cc2nc(C)n(/N=C/c3ccccc3Cl)c(=O)c2cc1OC	5047426	QXPBQDWJDRMMRZ-KEBDBYFISA-N	357.797	3.258	30	40	FGEB	
COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(C#N)cc2OC)c1C	5629717	MPSOJSVSIZZFJO-AWEZNQCLSA-N	356.422	3.454	30	40	FGEB	
O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc2c(c1)OCCO2	408962369	HUYGPIBLCCJAPD-MHWRWJLKSA-N	356.378	3.489	30	40	FGEB	
CCOc1ccc(/C=C/c2nc(O)c(C#N)c(COC)c2[N+](=O)[O-])cc1	409197956	SPFQMYPUTGMTKD-RMKNXTFCSA-N	355.350	3.283	30	40	FGEB	
CC(C)c1nnc2ccc(N=C(O)N3CCN(c4cccs4)CC3)cn12	330016831	QEDYNFULLTYCDT-UHFFFAOYSA-N	370.482	3.282	30	40	FGEB	
C=CCOC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2ncccc2c1	96250467	KBKQAEYDAQDQLY-RYGJVYDSSA-N	352.434	3.057	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(c2cnccn2)CC3)cc1	585100046	DFAXGADMNBGTGP-NRFANRHFSA-N	361.449	3.014	30	40	FGEB	
Cc1ccc(C#N)c(N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)n1	1889151737	NZLPCQVKGKEVCP-UHFFFAOYSA-N	373.460	3.197	30	40	FGEB	
COc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	23436660	WAURGCVVOAAJGN-UHFFFAOYSA-N	369.852	3.178	30	40	FGEB	
CCCCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O	1868905	ARHNFVYXILLAIQ-NRFANRHFSA-N	371.481	3.023	30	40	FGEB	
O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(CCN3CCCCC3)s2)cc1	1876878	BJYRGAPQGYVPCY-UHFFFAOYSA-N	361.427	3.111	30	40	FGEB	
CN(C)c1ccc([C@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C#N)C(=O)O)c(Br)c1	100917166	XTYSSMRBGBHTIB-PNCBDVDHSA-N	361.239	3.399	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1	104692762	RCHDMPRMBWWVRC-BFTOSQDWSA-N	372.424	3.407	30	40	FGEB	
C#Cc1cccc(NC(=S)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1	72282633	CDRSXLVRKABVPK-UHFFFAOYSA-N	374.513	3.444	30	40	FGEB	
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	9088652	TXFTZALHYYOIAL-YWZLYKJASA-N	358.401	3.399	30	40	FGEB	
N#Cc1ccccc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1	7927205	NYIJCFWHNKMLHL-INIZCTEOSA-N	355.463	3.239	30	40	FGEB	
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O	408895925	GEKMXFWOAGMULE-SFQUDFHCSA-N	362.385	3.096	30	40	FGEB	
N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1	225667455	VKISBDCRJLMINS-ULQDDVLXSA-N	363.797	3.128	30	40	FGEB	
N#Cc1cccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)c1	85651540	YDJHRNPSVQERMW-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
Cc1cc(C#N)nc(N[C@H]2CCN(c3ccccc3Br)C2)n1	587975645	IYWVJIMHQMEWLA-LBPRGKRZSA-N	358.243	3.110	30	40	FGEB	
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccn1	13151556	FVZFWYUPXMZJJX-DLFJBECYSA-N	354.435	3.062	30	40	FGEB	
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3nccs3)N(C)C2=O)c(C)c1	13151739	PYIDSPHLBOGRAT-HZDTVXMRSA-N	374.491	3.350	30	40	FGEB	
Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)c(C(N)=O)c(C)c1C	14254249	BVRPXDJEASGZGA-ZDUSSCGKSA-N	368.462	3.097	30	40	FGEB	
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2ccnc2C)cc1	30697924	ALUYMIBFMKJWFO-UHFFFAOYSA-N	363.421	3.118	30	40	FGEB	
CNc1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1[N+](=O)[O-]	32871640	YDYZXDBOWPHGRN-UHFFFAOYSA-N	350.334	3.118	30	40	FGEB	
N#Cc1ccccc1N1CCCN(C(=O)c2cc3c(s2)CCC3)CC1	60520274	VABHRADHMXHQAO-UHFFFAOYSA-N	351.475	3.461	30	40	FGEB	
N#Cc1ccccc1N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1	46849713	FUVALHZJZAIFMI-UHFFFAOYSA-N	373.412	3.017	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(OCc2cccs2)c(OC)c1	7602109	PLZFETNEUIBQOO-UHFFFAOYSA-N	357.439	3.120	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1C1CC1	108876135	XBUFTGNYLLIPRO-BFJAYTPKSA-N	360.527	3.375	30	40	FGEB	
C=C(C)CNC(=S)NNC(=S)Nc1ccc(SC(F)F)cc1	3274884	SBYULXISJKFROP-UHFFFAOYSA-N	362.496	3.243	30	40	FGEB	
Oc1ccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1	5626429	SXWBFMPKWWNFGW-YBFXNURJSA-N	362.418	3.212	30	40	FGEB	
COc1ccc(CO/N=C(/N)c2cccnc2Oc2ccccc2)cn1	75109789	MQBAUKOMNNAOGC-UHFFFAOYSA-N	350.378	3.115	30	40	FGEB	
CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Cl)c1OCC#N	408853226	MLJGJJOWTRJCOS-QEIQMOKMSA-N	365.842	3.173	30	40	FGEB	
C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)cc1	224853564	YACHRCTXYHPAOA-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225655736	IGBIWGLJVMEBNC-SQNIBIBYSA-N	361.850	3.090	30	40	FGEB	
CCCCCOc1ccc(/C=N/n2c(=S)[nH]nc(C)c2=O)cc1OC	1789181	JVBAMQLKYBQNMG-WOJGMQOQSA-N	362.455	3.069	30	40	FGEB	
Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(N3CCCCC3)nc12	9445596	SBCBAXWGGIASLR-KGENOOAVSA-N	350.422	3.205	30	40	FGEB	
COc1ccc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC	21036441	SZYXGNTULISECT-JLXMYUAZSA-N	368.433	3.421	30	40	FGEB	
N#Cc1cnn(-c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)c1N	41830942	CBTLGHFNBGKRGF-UHFFFAOYSA-N	354.373	3.127	30	40	FGEB	
COc1ccccc1NC(=S)N/N=C/c1ccc(-n2ccnc2)cc1	7900110	DFKNGCRWZKQQFK-UDWIEESQSA-N	351.435	3.201	30	40	FGEB	
CCOc1ccccc1C(=O)NCCCC(=O)Nc1ccc(CC#N)cc1	9335569	GSLCAFJBYDKFAC-UHFFFAOYSA-N	365.433	3.300	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccc(Br)s1)n1ncnc1N2	18195727	MKYNGANRNBDEIJ-LBPRGKRZSA-N	351.229	3.124	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=S	408730985	XJMGJQLJYLFXCD-GHRIWEEISA-N	364.426	3.122	30	40	FGEB	
C=CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3cccs3)n2)CC1	72336736	QHHLNGJPGSJTAF-UHFFFAOYSA-N	367.478	3.477	30	40	FGEB	
N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](N2CCCC2=O)C1	569963282	DHQHRIIVEBBFOK-AWEZNQCLSA-N	354.841	3.351	30	40	FGEB	
CN(CC#CCNC(=O)CCSc1ccccc1)Cc1ccccc1	75165150	GENHZLQVNAWZQI-UHFFFAOYSA-N	352.503	3.420	30	40	FGEB	
N#CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1	96038085	LEDNSQOLEIQFTE-UHFFFAOYSA-N	355.401	3.435	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2	684813623	SRDZAUVICUSQQQ-TVFCKZIOSA-N	350.503	3.347	30	40	FGEB	
CCCCCCCCNC(=S)N/C=C1\C(=O)Oc2ccccc2C1=O	1636036	ZKZJJIHFIJUTMC-SQFISAMPSA-N	360.479	3.497	30	40	FGEB	
C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O	2151725	SGUHBWYGHGTMTR-UGKGYDQZSA-N	371.440	3.039	30	40	FGEB	biogenic
CN(C)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2	22861905	SJABTCNPFWZLLG-UHFFFAOYSA-N	350.466	3.445	30	40	FGEB	
C=CC[C@@]1(Cl)C(=O)C(Cl)=C(NCc2ccccc2)C1(OC)OC	100747242	PGUYDRDKJQWKGP-MRXNPFEDSA-N	356.249	3.352	30	40	FGEB	biogenic
O=S(=O)(/N=C(\O)CCc1nc(-c2ccccc2)no1)C1CCCCC1	58071614	QIPWNMJBPKLSNQ-UHFFFAOYSA-N	363.439	3.288	30	40	FGEB	
COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccc(C(C)=O)cc1	12623716	JFRBCRSFPJIKOM-UHFFFAOYSA-N	358.781	3.440	30	40	FGEB	
CCc1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1	27757462	JBOPNRRYRMWVCO-MRXNPFEDSA-N	360.845	3.247	30	40	FGEB	
COc1ccc(NC(=O)CS/C(=N\C#N)Nc2ccccc2F)cc1	13401827	FFZFENAHJUBTEZ-UHFFFAOYSA-N	358.398	3.455	30	40	FGEB	
Cc1ccc2nc(Cl)c(/C=N/Nc3ccc([N+](=O)[O-])cc3)c(=O)n2c1	5445204	ZKQHELXZVWCVLF-QGMBQPNBSA-N	357.757	3.011	30	40	FGEB	
N#Cc1ccc(CCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1	24493017	UVOUDGJZJXNRPO-LJQANCHMSA-N	351.450	3.427	30	40	FGEB	
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	224816656	ANRZSAOIICNPMQ-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
COc1ccc(Cl)cc1/C=C/C(O)=N/S(=O)(=O)c1cccnc1	48533238	RYGMTICROQEHBP-QPJJXVBHSA-N	352.799	3.102	30	40	FGEB	
NC(=S)N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	17211441	KQKQPRIUCLJKSG-NPQOUYBPSA-N	359.838	3.179	30	40	FGEB	
C=CCN(Cc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(C(C)=O)cc1	10858702	WKCYWSOXIRQBKB-UHFFFAOYSA-N	372.421	3.277	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cccc(Cl)c21	100910110	AYYBRUKGCUWCRJ-ICFOKQHNSA-N	361.766	3.232	30	40	FGEB	
C#CCn1/c(=N/C(=O)CCc2ccccc2)sc2cccc(OC)c21	100910395	JURHOXLIOBKYDG-MRCUWXFGSA-N	350.443	3.405	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1O	101858260	QRANOIXFXZWWLB-RQZCQDPDSA-N	359.234	3.402	30	40	FGEB	
Cc1cc(OCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)ccc1C(C)C	21685609	IHVSXPSOOMNLDI-HXUWFJFHSA-N	360.454	3.095	30	40	FGEB	
COCC/N=c1/scc(-c2ccc(OC)cc2)n1/N=C/c1ccco1	103372092	QSXJECXYYYOZTR-AIIFXJEASA-N	357.435	3.248	30	40	FGEB	
N#C[C@@H](C(=O)Cc1csc(-c2ccco2)n1)C(=O)Nc1ccc(F)cc1	103501893	LMVVZGJJSHRVNI-AWEZNQCLSA-N	369.377	3.432	30	40	FGEB	
N#C[C@H](/C=N/N=C(/S)N/N=C/[C@@H](C#N)c1ccccc1)c1ccccc1	4758172	UWZJEMIGAXVKBG-BJPQMVKWSA-N	360.446	3.448	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)Cn1cccc(C(F)(F)F)c1=O	12820089	JSBLWVYXBIVWRK-UHFFFAOYSA-N	355.703	3.031	30	40	FGEB	
CC(C)NC(=O)CSc1ccccc1C(=O)Nc1sccc1C#N	14200026	MRONMKCFVIWGJD-UHFFFAOYSA-N	359.476	3.489	30	40	FGEB	
COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1	18166530	OYBUAXPCEIKLJB-QGZVFWFLSA-N	368.345	3.092	30	40	FGEB	
Cc1cc2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2cc1C	34791575	PVUUHGFUFNBJBX-INIZCTEOSA-N	355.463	3.111	30	40	FGEB	
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)cc1O	254297524	QFLRQIULGJWCJA-UHFFFAOYSA-N	357.369	3.357	30	40	FGEB	
COc1cccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c1OC	252429416	LWTOEHYQGJDDHA-UHFFFAOYSA-N	354.435	3.442	30	40	FGEB	
CCOc1ccc(/C=N/NC(=S)NCc2ccccc2)c(OCC)c1	980691	VZXVTEQIYAHZPP-KGENOOAVSA-N	357.479	3.482	30	40	FGEB	
Cc1nc(C(C)(C)C)sc1/C(O)=N/S(=O)(=O)c1cccc(C#N)c1	61067417	HMSHQYUOKKQDKR-UHFFFAOYSA-N	363.464	3.314	30	40	FGEB	
CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)cc1OC	4716130	ZZVMVVMYQBYODO-GOSISDBHSA-N	368.437	3.344	30	40	FGEB	
COc1ccc(CN(C)C(=O)CSc2nc(C)cc(C)c2C#N)cc1F	57612883	VNZZCVSYJCPEHU-UHFFFAOYSA-N	373.453	3.469	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccccc1[N+](=O)[O-]	18195576	CEWVXADHCFNOAH-CYBMUJFWSA-N	354.366	3.224	30	40	FGEB	
O/C(=N\c1nc(-c2ccccn2)n[nH]1)c1cccc(Nc2ncccn2)c1	48289207	SDFBHJBOPCMWOZ-UHFFFAOYSA-N	358.365	3.037	30	40	FGEB	
COc1ccc(CO/N=C(/N)c2cccnc2N2CCCCC2)cc1F	58498293	VTNRGDNSEUEWOH-UHFFFAOYSA-N	358.417	3.057	30	40	FGEB	
COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC	2426960	WBARTTIHBKDFFR-UHFFFAOYSA-N	373.416	3.298	30	40	FGEB	
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O	6608725	HTEUTJMGTNAHRV-LJQANCHMSA-N	362.414	3.135	30	40	FGEB	
C[C@H]1CN(C(=O)c2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1	67979142	JYLCJGPEKZGYDR-CALCHBBNSA-N	363.461	3.097	30	40	FGEB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)c1C	9503515	YRUNVFNLGKXHHL-BQYQJAHWSA-N	373.405	3.427	30	40	FGEB	
C#CCOc1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1	36365869	GNSCFFCOELOKBK-OAHLLOKOSA-N	369.446	3.115	30	40	FGEB	
Cc1c(C#N)c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2c1CCC2	9114505	YKEYZQSUINFNSZ-ORAYPTAESA-N	356.495	3.285	30	40	FGEB	
COc1ccccc1[C@H](C#N)NCCCN[C@@H](C#N)c1ccccc1OC	31667242	QNMNQYCJFCGGLZ-OALUTQOASA-N	364.449	3.103	30	40	FGEB	
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1cccc(C)c1	225861007	AZQUEBDRWORINI-UHFFFAOYSA-N	374.444	3.489	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cccc(OC)c21	100910382	KSIVNAHTRPPMAP-MRCUWXFGSA-N	365.458	3.152	30	40	FGEB	
O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(C(=O)C2CC2)CC1	32908465	KRPNHRRKZCPJGJ-UHFFFAOYSA-N	373.456	3.069	30	40	FGEB	
COC(=O)c1oc2cc(C#N)c(C#N)cc2c1C(=O)c1ccc(OC)cc1	78547015	SYVYLWRDFQIHCL-UHFFFAOYSA-N	360.325	3.202	30	40	FGEB	
CC[C@H]1/C(=N\O)C2=C(CCCC2=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12	100741560	FUIIETHMZWPVAF-HJFSGKHBSA-N	370.449	3.480	30	40	FGEB	biogenic
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O	20820040	MUAZPKFVXQSSKM-LJQANCHMSA-N	369.808	3.058	30	40	FGEB	
C=CCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O	11120060	QDZZBMHRWNEUJU-UHFFFAOYSA-N	370.474	3.288	30	40	FGEB	
O=S(=O)(N/C(=N\c1cccnc1)c1ccccc1)c1ccc(F)cc1F	6131195	DNWVYVRKFUIURN-UHFFFAOYSA-N	373.384	3.417	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=C2\SC(=N)NC2=O)c1	408888483	VWPCHCKVVQWUFX-CHHVJCJISA-N	366.358	3.397	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1	16742495	HFMBKKUPRQNOQU-UHFFFAOYSA-N	359.889	3.234	30	40	FGEB	
COc1ccc(C/N=C(\S)N/N=C/c2ccc(OC)c(OC)c2)cc1	8686956	OAUDQWDQOBHREU-UDWIEESQSA-N	359.451	3.122	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(F)ccc21	100875949	CEGCWNFBNKOEMZ-NMWGTECJSA-N	362.389	3.159	30	40	FGEB	
Cc1ccc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1	215710010	MGMJGFNOTBXGOM-UHFFFAOYSA-N	352.341	3.406	30	40	FGEB	
CCC(CC)N(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C1CC1	40142123	CJBWCKDGRAVHQO-UHFFFAOYSA-N	353.470	3.330	30	40	FGEB	
N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)c1ccc(F)cc1	4453496	TUYDQMMKBBQQDN-UHFFFAOYSA-N	356.300	3.379	30	40	FGEB	
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1	10002166	IHAAMTUJWINPPX-WTAXECHQSA-N	356.334	3.336	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1C#N	23642338	URLNUSAFUGXGOV-GFCCVEGCSA-N	351.435	3.143	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccc(Br)c2)c1	3392704	FEWRCKXOXUEDBQ-LICLKQGHSA-N	367.268	3.378	30	40	FGEB	
COc1ccc2[nH]c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc2c1	8391709	FQXGICOESBKRRT-LLVKDONJSA-N	358.448	3.305	30	40	FGEB	
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	224895242	MFGLBVRZDHJUQI-UHFFFAOYSA-N	374.462	3.343	30	40	FGEB	
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)O	253535743	VNEWQJPVNZRHHG-URLTZPBLSA-N	362.441	3.304	30	40	FGEB	
COc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	252514141	BKBNHTNUGHKWSB-BRWVUGGUSA-N	350.823	3.103	30	40	FGEB	
COC(=O)C12C3=C(/C(=N\O)C=C/C3=N\O)C(c3ccccc31)c1ccccc12	16979292	COGVHCBSLOMBFL-JVBWRSBESA-N	372.380	3.131	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1	19088007	XCKLQAQILIQCIB-IBGZPJMESA-N	361.401	3.090	30	40	FGEB	
C#CCOc1c(Br)cc(/C=C2/C(=O)ON=C2C)cc1OCC	6350926	JVBCWOHQRZBNNQ-KPKJPENVSA-N	364.195	3.176	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(F)c1	6694076	HWGZUCAGAHVKAI-ZDUSSCGKSA-N	357.410	3.195	30	40	FGEB	
COc1cc([C@H]2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	915120	QDZHCCJNHXDHAJ-QGZVFWFLSA-N	374.437	3.052	30	40	FGEB	
CCOC(=O)c1c(C)c2c(n1C)CC/C(=C\NCCc1ccccc1)C2=O	104154032	XLJAIEAPOWGRFJ-SAPNQHFASA-N	366.461	3.355	30	40	FGEB	
Cc1cc2nc(C)c(CC/C(O)=N/c3nc(C(F)(F)F)n[nH]3)c(C)n2n1	36744268	JBTSVBDSYNOWBU-UHFFFAOYSA-N	367.335	3.012	30	40	FGEB	
CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N	7268151	KDPCGHOLKKLHPB-HNNXBMFYSA-N	364.449	3.018	30	40	FGEB	
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2ncccc2c1	253372533	FSDOJDMOPZEXAH-IHPCNDPISA-N	352.434	3.057	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@@H](C(=O)O)N2c3ccccc3C=C[C@H]21	17207765	SVPDJKRQYKLPDS-OTWHNJEPSA-N	359.360	3.312	30	40	FGEB	
CCCCCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	101653977	LZPIHIXPFCQPDH-HOTGVXAUSA-N	356.507	3.488	30	40	FGEB	
COC(=O)c1ccc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	32957783	UXXNTGHJCDJYEA-JLXMYUAZSA-N	366.417	3.190	30	40	FGEB	
COc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)c3C#N)C2=O)cc1	100587653	XZFGAHCCRVGBDU-MRXNPFEDSA-N	367.430	3.003	30	40	FGEB	
Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CCCC2	2460239	URJJPWBUILNXJW-UHFFFAOYSA-N	373.438	3.331	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(Cl)cc3)C(=O)NC2=S)cc1	408763596	TXAKGXPRUKSNEX-IXJMWADBSA-N	371.849	3.415	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(F)c1	225113965	FSJISGRBSSAFQS-UHFFFAOYSA-N	357.353	3.494	30	40	FGEB	
N#CCSc1nc2c(sc3ncccc32)c(=O)n1Cc1ccco1	96097156	ADLICMYMPJCFQD-UHFFFAOYSA-N	354.416	3.263	30	40	FGEB	
Cc1cc(NC(=O)COC(=O)c2ccccc2-c2ccccc2C#N)no1	5146916	OGRKBAAQYFZQAC-UHFFFAOYSA-N	361.357	3.317	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O	101376606	OCXRSLZMMPCDEY-UDIJSBLGSA-N	358.825	3.270	30	40	FGEB	
CCn1c(C)cs/c1=N/N=C/c1cc(Br)c(O)c(OC)c1	2887848	ZSCGBRSRALPOQS-IYEULLQPSA-N	370.272	3.289	30	40	FGEB	
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)ccc1O	12347700	JCJHZBPVQRVOQB-CQSZACIVSA-N	355.394	3.030	30	40	FGEB	
NC(=S)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	59399043	RRCVGWXDPRNYHX-UFWORHAWSA-N	368.245	3.380	30	40	FGEB	
CC(C)CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1	13687259	ZAZVKOGBNSTKAU-UHFFFAOYSA-N	368.525	3.335	30	40	FGEB	
COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1OC(F)F	6048721	BINLHKHPIOQVJP-XFKUTXNWSA-N	370.396	3.437	30	40	FGEB	
N#CCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1	408748487	AXDSHMRAVPBKAE-CHPZLBCBSA-N	367.455	3.223	30	40	FGEB	
CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1	8226933	FIOSUKGNQNJCKG-JXMROGBWSA-N	352.438	3.257	30	40	FGEB	
CCCCOC1(NC(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC(=O)C=C1C	16779561	BTSNYMBRRSRUMW-UHFFFAOYSA-N	358.394	3.313	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/C[C@H]2CCCN3CCCC[C@@H]23)c2c(c1)COCO2	17610795	LCQLZWUKIDJILB-GZSHILNYSA-N	359.426	3.145	30	40	FGEB	
CN(C)/C=C(\C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccccc1	4369368	VKTMBLZUIBNLTI-FOWTUZBSSA-N	353.813	3.101	30	40	FGEB	
COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1	2286548	WILGUHMTOJXABW-UHFFFAOYSA-N	359.389	3.104	30	40	FGEB	
CN(Cc1nc2ccccc2s1)S(=O)(=O)Cc1ccc(C#N)cc1	12784234	JPHVAMDAHFIOFD-UHFFFAOYSA-N	357.460	3.130	30	40	FGEB	
Cc1cc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)nc(C(C)C)n1	24340796	GWZNCUCSSKNSJF-UHFFFAOYSA-N	350.470	3.119	30	40	FGEB	
C=CCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	13305906	CRWCZJHINCGXGS-KAMYIIQDSA-N	363.460	3.016	30	40	FGEB	
Cc1nc(C2=C(N)N(Cc3c(F)cccc3Cl)CC2=O)sc1C	13690409	UCNVCBQDQPUTRG-UHFFFAOYSA-N	351.834	3.265	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C/Nc2c(C(C)C)cccc2C(C)C)C1=O	6201545	AMRAWRSPKNKSNY-WJDWOHSUSA-N	355.438	3.494	30	40	FGEB	
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2	4944264	PHCWLCHVRSFMGP-MRVPVSSYSA-N	365.817	3.315	30	40	FGEB	
O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccccc2O)cc1	17148896	PKSKCTXKJQWASO-WOJGMQOQSA-N	359.432	3.400	30	40	FGEB	
CCc1ccc([C@@H](C)NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)cc1	21585848	YXMOYKBDKXXGQL-CYBMUJFWSA-N	359.857	3.417	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Cl)C1=O	409056364	LRRGQKPBPVHUSA-RIYZIHGNSA-N	351.811	3.417	30	40	FGEB	
C#CCOc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cccc1OC	409041348	ZXGKFHCVPIWPHL-GZIVZEMBSA-N	372.240	3.421	30	40	FGEB	
CCOC(=O)c1sc2ncn(Cc3cc(C#N)ccc3F)c(=O)c2c1C	40024291	CCUDXCIKKJFXJS-UHFFFAOYSA-N	371.393	3.002	30	40	FGEB	
COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccc(C#N)c2)C3)cc1	96269255	OYOORQODHPBDSJ-FQEVSTJZSA-N	374.444	3.119	30	40	FGEB	biogenic,in-vitro
CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1	19088013	FRQHKTUZOLVJJE-GOSISDBHSA-N	350.374	3.288	30	40	FGEB	
C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)NC(C)C	44085759	FTFNRKNWEHDVTI-UHFFFAOYSA-N	360.439	3.261	30	40	FGEB	
CCC(=O)Nc1ccccc1C(=O)OC/C(=N\O)c1ccc(OC)cc1	102519820	SUGLGCSXMOZZBL-HEHNFIMWSA-N	356.378	3.079	30	40	FGEB	
Cc1ccc(CN(CC(=O)N(CCC#N)CCC#N)Cc2ccco2)s1	58179645	QYUVVJNZIDXCIT-UHFFFAOYSA-N	370.478	3.308	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)CSc2ccccc2)cc1Cl	6918854	QJMSQFHXXFNVFY-UHFFFAOYSA-N	360.822	3.486	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cc(Cl)ccc21	46084746	CCCNDBDOADVEAL-JZJYNLBNSA-N	360.797	3.343	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1	41014483	QKHBXPMXAIAJIP-ZDUSSCGKSA-N	352.390	3.247	30	40	FGEB	
CC/C(=N\Nc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2	98055023	HJUQVOJUWFXWES-CAPFRKAQSA-N	360.435	3.088	30	40	FGEB	
CCc1nnc([C@H]2C(=N)S/C(=C\c3ccccc3OCC#N)C2=O)s1	6024758	ZSYDBFJIDXXMNF-UZHIDJAUSA-N	370.459	3.421	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CN(C)CCCOc1ccc(Cl)cc1	52450965	PADYJNPCTBSYNK-SFHVURJKSA-N	351.878	3.095	30	40	FGEB	
N#Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1	32808936	RXZBRICXQUPAGY-UHFFFAOYSA-N	356.432	3.073	30	40	FGEB	
O=C1C(=O)N(c2ccccn2)[C@H](c2cccnc2)/C1=C(\O)c1ccccc1	102864399	LCWRBNOTWODFOD-SELCWUDQSA-N	357.369	3.103	30	40	FGEB	
C=CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1	1903994	NITUGAYYOAGPPJ-JFBXQDQPSA-N	363.460	3.316	30	40	FGEB	
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN3CCOCC3)CC[C@@H]21	20111591	MXGIYHZVIKLRKE-VCOUNFBDSA-N	355.478	3.420	30	40	FGEB	biogenic
Cc1n[nH]c(N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)nc1=O	6210963	HBJWFHUDDIHCAR-CIAFOILYSA-N	358.405	3.078	30	40	FGEB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\CCc2ccccc2C1=O	8054407	MCQHTUZIEFFDDW-YTBHAWNYSA-N	370.474	3.072	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc1	33932368	JVRYMHPSERKQQS-ATVHPVEESA-N	364.357	3.464	30	40	FGEB	
CCc1c(N=C(O)C2CCS(=O)(=O)CC2)cnn1-c1cccc(C)c1	330154609	NONRFYPOJWYXKH-UHFFFAOYSA-N	361.467	3.156	30	40	FGEB	
CCCCCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O	98045055	HJEWIXNVVIWWLH-IBGZPJMESA-N	372.440	3.498	30	40	FGEB	
Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccc(F)c1)O2	20573426	WYCVOVGDHFKCCD-WQRHYEAKSA-N	369.392	3.288	30	40	FGEB	
CCc1cc(N[C@H](C)CC[S@](C)=O)n2c(nc3ccccc32)c1C#N	76092968	PTWKAWWXMPNIMH-YMXBGEKHSA-N	354.479	3.491	30	40	FGEB	
Cc1ccc(C2=NOC(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	101662195	KSJBZNOGPFKFBW-ZSOIEALJSA-N	353.290	3.156	30	40	FGEB	
COc1ccc(CCC(=O)N(CCC#N)Cc2ccco2)c(OC)c1OC	58202097	SQRWUROCDOXLLW-UHFFFAOYSA-N	372.421	3.180	30	40	FGEB	
C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	62471016	BTXLHCQLUCSQPL-KBXCAEBGSA-N	368.437	3.078	30	40	FGEB	
CCc1ncncc1/C(O)=N/S(=O)(=O)c1cc(C(C)(C)C)ccc1C	48471795	ZAILKLSXGXZUMG-UHFFFAOYSA-N	361.467	3.338	30	40	FGEB	
C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C(=O)N1C	409212812	RCNJBKAGIDNIQM-SMFDUERQSA-N	369.446	3.324	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1ccncc1	8489587	UDNFQRABBIWENI-CQSZACIVSA-N	371.510	3.456	30	40	FGEB	
O=C(NCc1ccc(/C=N/c2ccccc2F)o1)C(=O)Nc1ccccc1	408785427	ZGIGJYISZHMACL-WSDLNYQXSA-N	365.364	3.424	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1	36308424	WJBNLUQPWCSRSR-LBPRGKRZSA-N	357.838	3.051	30	40	FGEB	
C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21	524733105	VANZCOAKDBUPQI-HNNXBMFYSA-N	369.417	3.098	30	40	FGEB	
C=CCC(CC=C)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1	585655862	PQNVOPSHYNVYCF-UHFFFAOYSA-N	367.478	3.246	30	40	FGEB	
N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)C2=O)cc1	84383877	FHNKKGLVCJHKNV-QYZOEREBSA-N	364.376	3.150	30	40	FGEB	
CC1(C)S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	18085479	UIOLWSPKFBPVRI-VLGSPTGOSA-N	360.460	3.417	30	40	FGEB	
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1	102928545	MARNWLXIZADNBK-HVESIFNPSA-N	370.474	3.040	30	40	FGEB	
N#Cc1cc2c(nc1[S@](=O)Cc1nc3ccccc3[nH]1)CCCCC2	6402982	ZZPIXNGZMICURJ-VWLOTQADSA-N	350.447	3.406	30	40	FGEB	
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(C)no3)c2)c1	40050046	OCDJAICRZYWISP-UHFFFAOYSA-N	360.369	3.422	30	40	FGEB	
COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccccc1	96928002	IUAPANPDPMBIST-FQEVSTJZSA-N	366.417	3.491	30	40	FGEB	
C=CC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O	1321338942	LLCQBEJOGQZBNU-ZDUSSCGKSA-N	350.827	3.152	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccccc2)n1	13579577	WKSHOMFPMUFQFP-UHFFFAOYSA-N	354.431	3.478	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(Cl)c1	102503165	NYARGEOPGCWOHT-GROYHEBESA-N	371.820	3.408	30	40	FGEB	
COc1cc(-c2cc(=O)c3cc(OCC#N)ccc3o2)cc(OC)c1OC	2888816	CKYAXNIDQFBPHE-UHFFFAOYSA-N	367.357	3.388	30	40	FGEB	
C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1	6129929	UANKCHLKDFLWDX-XHSDSOJGSA-N	363.465	3.021	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2	4814185	KVSQZEVMOLCKTA-HNNXBMFYSA-N	371.422	3.320	30	40	FGEB	
C=CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2O)C1=O	409075019	WTDSTXPIMYSVBS-IZZDOVSWSA-N	370.224	3.386	30	40	FGEB	
Cn1c(CO[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2F)nc2ccccc21	96112194	YIQQPTUARDAXDI-XLIONFOSSA-N	364.424	3.184	30	40	FGEB	biogenic,in-vitro
C=CCSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1cccc(OCC)c1	670416118	MPCGENZBZUZMLV-CYBMUJFWSA-N	357.435	3.333	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccc1	5045130	MAHZALYZCNEINC-KRWDZBQOSA-N	355.390	3.203	30	40	FGEB	
N#Cc1cnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(Cl)c1	1889098715	WLBSWGDYXUDCLJ-UHFFFAOYSA-N	368.815	3.081	30	40	FGEB	
C[C@@]1(C(=O)N2C[C@H]3OC[C@@H](COc4ccc(C#N)cc4)[C@H]3C2)CC=CCC1	1565548816	KGCLLFBXBMMVSU-JWUVWSEFSA-N	366.461	3.157	30	40	FGEB	
CC1=CC(=O)[C@H]2[C@@H](/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2CC1	100707884	QLAPPSIXOBEVQR-VRXHDQOWSA-N	366.373	3.465	30	40	FGEB	
N#Cc1nc(/C=C/c2ccco2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	32123776	ZCHLJLBIPFVJIH-CNBITHIKSA-N	374.400	3.095	30	40	FGEB	biogenic
Cn1/c(=N/N=C/c2ccc(N3CCOCC3)cc2)sc2ccccc21	12510974	GCIIWDWHLLBESV-WQNZTSTFSA-N	352.463	3.011	30	40	FGEB	
C#Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)c1	58226744	ROVWEOAYXNHDCC-UHFFFAOYSA-N	358.401	3.146	30	40	FGEB	
N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1	20637778	KJGIRTLXAVRGJP-WFASDCNBSA-N	367.206	3.480	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(C[C@@H](C)CC1=O)N2	22608314	GHOHWLMGXIHTGN-PIGZYNQJSA-N	369.494	3.334	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1	3578089	FWVSYLIKHLZRAS-UHFFFAOYSA-N	362.794	3.293	30	40	FGEB	
COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC	4338768	JLJMUHMSSNLOPB-UHFFFAOYSA-N	359.389	3.104	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)c2cccc(Br)c2)c1	6383711	ZWLYZHXYPAYFGR-UHFFFAOYSA-N	359.179	3.116	30	40	FGEB	
COc1cc(NC(=O)c2ccc(NC(=O)CC#N)cc2)c(OC)cc1Cl	6787821	SIDVZACPESBRKI-UHFFFAOYSA-N	373.796	3.462	30	40	FGEB	
C=CCN(c1ccc(C(=O)Nc2ccccc2OCC)cc1)S(C)(=O)=O	4813673	JKRXRTUCOBKKRN-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2ccsc2c1=O	9691189	MCPPQUAPHFRBPU-NSHDSACASA-N	363.508	3.183	30	40	FGEB	
C#CCOc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2C)cc1	95458592	NBYUZBAPFLGTLQ-UHFFFAOYSA-N	350.418	3.096	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1	218093576	OSDRMGRTSKWCQG-UFYCRDLUSA-N	371.458	3.181	30	40	FGEB	
N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](N2CCCC2=O)C1	569963284	DHQHRIIVEBBFOK-CQSZACIVSA-N	354.841	3.351	30	40	FGEB	
Cc1cc(O)c(CN2CCOCC2)c2c1C(=O)/C(=C/c1cccs1)O2	20573168	HRHLAPHORVRYLD-YBEGLDIGSA-N	357.431	3.211	30	40	FGEB	
Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2ccc(O)cc2)c(Cl)c1	2308466	PBXVXGQIIOZDRA-CAOOACKPSA-N	359.234	3.320	30	40	FGEB	
CCOCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cccc(F)c21	100877810	GPXGZUWCSYRVQT-QOCHGBHMSA-N	369.421	3.491	30	40	FGEB	
Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(Br)cc2)n1	820225	NFGAASBHRFWLHJ-RQZCQDPDSA-N	359.231	3.034	30	40	FGEB	
C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccccc3O)ccc2c1=O	12563737	DFXATPIWLBJVFH-UHFFFAOYSA-N	353.403	3.203	30	40	FGEB	
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(Cl)ccc1O	11990634	JAINJNWMXFBLHY-UHFFFAOYSA-N	357.822	3.372	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)O)ccc3C2=O)cc1OC	12885623	XQYKDGBFLDCEIC-RGVUVNHFSA-N	370.357	3.172	30	40	FGEB	biogenic
O=[N+]([O-])c1ccc(N2CCCC2)cc1N/N=C/c1ccc2c(c1)OCO2	4065364	MLLFALUPJGBGRU-YBFXNURJSA-N	354.366	3.370	30	40	FGEB	
Cc1cc(/C(O)=N/S(=O)(=O)N2CCCCC2)c(C)n1-c1ccccc1	64619605	MRPPGBTZZSCPQT-UHFFFAOYSA-N	361.467	3.129	30	40	FGEB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccccc1F	408527934	AJXAUIXDCWZOTL-GFCCVEGCSA-N	359.744	3.081	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)c1	1776001605	BGAAVBFKGNREHG-ZDUSSCGKSA-N	363.343	3.057	30	40	FGEB	
CC(C)(C)c1ncc(/C=C/C(O)=N/S(=O)(=O)c2cccnc2)s1	76760986	DSSCCYLJIFXMDB-VOTSOKGWSA-N	351.453	3.194	30	40	FGEB	
O=S(=O)(OCCCF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100488248	ZRUYMVJXOCJETF-UHFFFAOYSA-N	360.169	3.118	30	40	FGEB	
COc1ccc(Nc2ccc([N+](=O)[O-])cc2C#N)cc1N1CCCC1=O	40091231	JOUBITDOPYSTOZ-UHFFFAOYSA-N	352.350	3.345	30	40	FGEB	
CCOC(=O)c1nnn(/N=C\c2ccc(C)cc2)c1OCc1ccccc1	33338124	YCDDITMCXVJCAP-BKUYFWCQSA-N	364.405	3.224	30	40	FGEB	
CNC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C	41969144	FEBADKYCUCWWGV-UHFFFAOYSA-N	362.389	3.171	30	40	FGEB	
C=CCOc1c(Cl)cc(CNc2nnnn2CCCC)cc1OC	7262122	CHSHXPHSYJMEJX-UHFFFAOYSA-N	351.838	3.312	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC	100626561	NIPMSDJZBJJBEX-HLESVKLYSA-N	374.481	3.482	30	40	FGEB	
Cc1ccc(/C=N/Nc2nc3ccccc3c(=O)n2OC(C)C)c(C)c1	5085550	LDDBOONEEQWFFZ-CIAFOILYSA-N	350.422	3.296	30	40	FGEB	
N#Cc1ccccc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1	15656952	PLCPFKZXPVILSO-UHFFFAOYSA-N	352.365	3.155	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3cccnc23)C1=O	29846694	LCGAXKDSXYWWPN-NRFANRHFSA-N	356.385	3.074	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)cc1	306141600	WBUWTWPEAVGOSF-OALUTQOASA-N	369.428	3.076	30	40	FGEB	
Cc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc(N2CCCC2)c1C	409404470	CXHYTKNZXPQGMS-CPLUKWAASA-N	363.461	3.045	30	40	FGEB	
NCCCC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21	143007080	YWNLUOQGSNHETA-HNNXBMFYSA-N	352.434	3.222	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C(/Br)c2ccc([N+](=O)[O-])o2)cc1	13476067	UELKTEFIPOWQKY-SDNWHVSQSA-N	355.104	3.265	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(O)cc1)c1ccco1	85409858	LRAUQJSPNPZOHG-AWEZNQCLSA-N	368.370	3.225	30	40	FGEB	
CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CC[C@@H](C)C2	5055546	SFDMJWYQNANZJO-LLVKDONJSA-N	353.447	3.356	30	40	FGEB	
CC(=O)/N=C1\O[C@@]23CCCC[C@H]2[C@@]1(C#N)C(C#N)(C#N)[C@@H](c1ccccc1)O3	100257628	UFXCQVZKTDBYFB-GGZOEFGUSA-N	374.400	3.163	30	40	FGEB	
Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C	4968061	IWBIXXVPFAVKEO-UHFFFAOYSA-N	362.484	3.069	30	40	FGEB	
CN1C2=C(C(=O)CCC2)C(c2ccc3c(c2)OCO3)C2=C1CCCC2=O	807403	VRPOLYFZGKXYNK-UHFFFAOYSA-N	351.402	3.459	30	40	FGEB	
Cc1oc(NC(=O)CN2CCN(c3ccccc3Cl)CC2)c(C#N)c1C	57363691	YHBBRARBKHMMOP-UHFFFAOYSA-N	372.856	3.182	30	40	FGEB	
COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1Br	13135472	LGANWCYHOYMSQF-UHFFFAOYSA-N	367.224	3.130	30	40	FGEB	
COC(=O)C(C(=O)/C=C/c1ccccc1[N+](=O)[O-])=C1Nc2ccccc2N1	6420185	ZABDPCMDUDFUIY-ZHACJKMWSA-N	365.345	3.099	30	40	FGEB	
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2ccsc2)CC1	14158418	ODQKYCFFRRTJNM-XOFWJLNASA-N	355.438	3.309	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	218566213	TZOXLYWSBQZBJQ-FGTMMUONSA-N	360.866	3.063	30	40	FGEB	
C=CCN1CCNC[C@H](Cc2ccc(-c3ccc(OC)cc3)cc2)C1=O	257246419	IUAVKZDMKPAPQC-FQEVSTJZSA-N	350.462	3.139	30	40	FGEB	
O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1	2677920	DZJKWGDBBMEVJK-KOMLCTQHSA-N	365.458	3.145	30	40	FGEB	
Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N	5182933	GMLYZLWKJQGZMZ-UHFFFAOYSA-N	352.825	3.252	30	40	FGEB	
O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccccc1)n1ncnc1N2	5244863	MUEZBSSROFLWGW-VLIAUNLRSA-N	358.401	3.399	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ncccc2c1=O	31615227	JEQCTUWEYLTRTA-UHFFFAOYSA-N	366.446	3.017	30	40	FGEB	
Cc1occc1C(=O)[C@H](C#N)C(=O)c1ccc(NC(=O)NC2CC2)cc1	103503122	FWTLSJOZJMZLPD-MRXNPFEDSA-N	351.362	3.077	30	40	FGEB	
C#C[C@](C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1	1446099	FKFCWFJQXZJUTE-MRXNPFEDSA-N	350.344	3.157	30	40	FGEB	
CNC(=O)c1ccc(/C=C/C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cc1	48829710	BHPCOMLZCUUXHV-BCFOUKGLSA-N	373.334	3.350	30	40	FGEB	
Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1C	408532515	IHMINPHPFRQYIQ-AWEZNQCLSA-N	353.353	3.044	30	40	FGEB	
N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218436893	WJMHEDCEAQYCFT-CVEARBPZSA-N	360.797	3.452	30	40	FGEB	
Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCNCC4)o3)o2)c1	40165767	XMSOFJWZKGATGI-UHFFFAOYSA-N	364.405	3.103	30	40	FGEB	
C=CCN(c1ccc(C(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O	13669401	PXEALYXNZRMGIG-UHFFFAOYSA-N	370.474	3.232	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(O[C@H](C)CC)c(Br)c1	6357678	QKBHVRLJDIAQGA-IYPWXLATSA-N	358.305	3.444	30	40	FGEB	
Cc1cc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)on1	52009963	UIKLLBFBPVUZBF-KRWDZBQOSA-N	356.401	3.206	30	40	FGEB	
N#Cc1ccccc1NC(=O)CCN1CCO[C@@H](c2ccc(F)cc2)C1	23186596	BJEHVHOQRMQNQU-LJQANCHMSA-N	353.397	3.099	30	40	FGEB	
CCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(OC)c(OC)c1	907874	OHQAJBSPPHKIPZ-HNNXBMFYSA-N	354.406	3.423	30	40	FGEB	
C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1cc(OC)ccc1O	12657140	GQBBLHCUCPRLDE-ATSVJHDFSA-N	355.419	3.493	30	40	FGEB	
N#CCSCC(=O)NCC1(c2ccc(Br)cc2)CCC1	58226484	DYZJVUPEYHNYIO-UHFFFAOYSA-N	353.285	3.244	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCC(=O)N[C@H](c2cccs2)C(C)C)cc1	10846912	ZSXOXOKKWFJEGY-PQFHHTBUSA-N	374.462	3.399	30	40	FGEB	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)O/N=C/c1cccc([N+](=O)[O-])c1	28914584	ZGUBFOKOLGVFLI-NNUFEUBYSA-N	353.378	3.312	30	40	FGEB	
O=C1/C(=C/c2ccccc2OC(F)F)CS(=O)(=O)c2ccc(F)cc21	3452909	UXGBYEUDKKAONL-YRNVUSSQSA-N	368.332	3.481	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccccc2c1=O	2624249	YMFPVPHUUDHXEP-AWEZNQCLSA-N	357.479	3.076	30	40	FGEB	
N#Cc1ccc(NCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1	64736287	KBMMROWBFBDEIP-UHFFFAOYSA-N	356.376	3.487	30	40	FGEB	
C[C@@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)c1ccccc1	9578364	VCZQDWTYVOFLJI-LLVKDONJSA-N	351.387	3.265	30	40	FGEB	
CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2c(Cl)cccc2C#N)C1	548334571	WOCIIVRIQGYCGG-KRWDZBQOSA-N	360.870	3.218	30	40	FGEB	
C=CCN(CC=C)C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O	253409261	ZWGVSECRMRQCPB-ZDUSSCGKSA-N	372.421	3.226	30	40	FGEB	biogenic,in-vitro
COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c(OC)c1	253617004	SITAPRSEDPVTLI-UHFFFAOYSA-N	354.435	3.442	30	40	FGEB	
CC[C@H]1S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	95351771	GYVRYJYJSZOIOT-BQASMSSTSA-N	360.460	3.417	30	40	FGEB	
COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)o1	3408406	XNRROQOKDWRXQB-UHFFFAOYSA-N	366.402	3.348	30	40	FGEB	
C=CCn1nnnc1NCc1cccc(OCC)c1OCc1ccccc1	7602293	ZNHYWILPRGDHNZ-UHFFFAOYSA-N	365.437	3.449	30	40	FGEB	
O=S1(=O)CC[C@H](/N=C/c2ccc(-c3ccc(Br)cc3)o2)C1	3214562	VMIVJZDHFRPAHT-YRUBURHZSA-N	368.252	3.315	30	40	FGEB	
CCOc1ccc(/C=N/n2cnc3c([nH]c4ccccc43)c2=O)cc1OC	2267115	YBZUSYLLZOHWQP-SSDVNMTOSA-N	362.389	3.167	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1	3474242	VVBDGQBGTAGTJN-UHFFFAOYSA-N	363.200	3.338	30	40	FGEB	
C=C(C)Cn1c(S[C@@H](C)C(=O)O)nc2sc3c(c2c1=O)CCC3	5721598	JETANKHSTLXQHY-VIFPVBQESA-N	350.465	3.088	30	40	FGEB	
CC[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O	17994573	LJJFKVYEKJAUTC-ZDBRSUKYSA-N	360.460	3.290	30	40	FGEB	
COC(=O)c1ccc(C)c(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)c1	409246367	HJPUYPAAKMGGRL-PUFAJPFRSA-N	371.389	3.393	30	40	FGEB	
C=CCN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O	409069992	MNHJRDRBZDFEPI-XGICHPGQSA-N	368.208	3.400	30	40	FGEB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1C=Nc1ccc(F)cc1	408533080	JKDWJXMJEYFUPZ-CQSZACIVSA-N	359.744	3.081	30	40	FGEB	
C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1	222764396	UDFLFHQWEOPYGA-SFHVURJKSA-N	350.462	3.339	30	40	FGEB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)[nH]2)cc1	6141939	FJKUPRRBGUEJJD-UHFFFAOYSA-N	365.418	3.083	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1	8480817	GPOZVRUPPJIILA-UHFFFAOYSA-N	369.373	3.077	30	40	FGEB	
C[C@@H]1CCCN(Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)C1	57993114	KXYWOELKOUHJDV-QGZVFWFLSA-N	354.498	3.364	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O	12780474	ZRQFNNCZCLUXCO-SFHVURJKSA-N	357.772	3.318	30	40	FGEB	
CC/N=C1\S/C(=C\c2cc([N+](=O)[O-])cc(OCC)c2O)C(=O)N1CC	59104850	LZADVXVWCNODMM-WCZHDPDVSA-N	365.411	3.011	30	40	FGEB	
Cc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=O)c(C#N)c1C	27944601	DZJCIBCRDBEQOB-UHFFFAOYSA-N	370.497	3.226	30	40	FGEB	
COc1ccc2c(c1)CCCN2C(=O)CSc1nc(C)nc(C)c1C#N	29675311	GKSNNPUPOVXLHP-UHFFFAOYSA-N	368.462	3.045	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)c1nn(C(C)C)c(=O)c2ccccc12	3435225	ZVJZEVSJGNRCKH-UHFFFAOYSA-N	363.373	3.077	30	40	FGEB	
N#C/N=C(/Nc1cccc(F)c1)SCC(=O)NCCc1ccccc1	6229219	LZTZBULRMDTMGM-UHFFFAOYSA-N	356.426	3.167	30	40	FGEB	
CCOC(=O)[C@H](/C=N/OC)Sc1ncc(C(F)(F)F)cc1Cl	5247526	AMVZWIUFMNUGCF-YSITYURMSA-N	356.753	3.410	30	40	FGEB	
C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O	5863413	VJDQCHRLRDLHPZ-ZDUSSCGKSA-N	362.360	3.405	30	40	FGEB	
N#Cc1ccc(COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1	5862250	DUFCOECMYIQPIJ-INIZCTEOSA-N	357.797	3.055	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1	225926099	AGMGRIZBBRRLKH-GHMZBOCLSA-N	373.448	3.450	30	40	FGEB	
C=CCN1CCOC2(CCN(CCN3CCCC3)CC2)c2ccccc21	96080309	LMGPYXBDBSVBGT-UHFFFAOYSA-N	355.526	3.096	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1	11083021	HFSPPJPPYMXWFD-QGZVFWFLSA-N	374.444	3.229	30	40	FGEB	
COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)c1	5788549	NHXTXKZUPOCSOZ-SFHVURJKSA-N	352.390	3.215	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2cc(C)ccc2OC)c(O)c2ccccc21	12414652	BSQCJJQJUJPHPQ-UHFFFAOYSA-N	364.401	3.462	30	40	FGEB	
O=C1CS/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1	2280375	RHYHVMDKWMWZFX-PLZFDSBDSA-N	354.391	3.060	30	40	FGEB	
CCCN1C(=O)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	103346409	HMUPOJGMNFSIBF-KNTRCKAVSA-N	369.337	3.076	30	40	FGEB	
C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@H]2C=CCC2)nc1C	12912327	FERDDKGYTYVGSU-NSHDSACASA-N	361.496	3.480	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCC(=O)N[C@H]2CCCc3ccccc32)cc1	6551670	UJPLIRUQPFUPKP-MEGCXXLRSA-N	366.417	3.018	30	40	FGEB	
Cc1occc1SCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	96003397	MNVYAHYIQXVONA-KRWDZBQOSA-N	355.463	3.089	30	40	FGEB	
COc1cccc(/C=C\C(=O)N(CC#N)CC(F)(F)F)c1OC(F)F	96055605	SIGNPULCOWUVMH-WAYWQWQTSA-N	364.270	3.224	30	40	FGEB	
C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ncccc1OCCCC#N	97164547	XBKTZCKLNQFFLZ-CVEARBPZSA-N	360.458	3.481	30	40	FGEB	
CC[C@H](C)Oc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cccc1OC	409404834	MLVDBSZEMOALQD-TZUPDSNESA-N	368.433	3.014	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)o1	408796300	OSYVSBRDNLAKHD-INIZCTEOSA-N	351.358	3.030	30	40	FGEB	
C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2	224822376	NBSMKHCWAHZPFW-UHFFFAOYSA-N	365.838	3.493	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl	1529453760	DUMRVWQAWKQNCV-KBIMSMNXSA-N	361.228	3.380	30	40	FGEB	
CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1Br	1099750	RFCVDKMKNZPTLL-GIJQJNRQSA-N	359.227	3.435	30	40	FGEB	
C=CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(OC)c(OC)cc21	13634641	OOWYFADDZSUFOS-UHFFFAOYSA-N	372.808	3.009	30	40	FGEB	
CC1=C/C(=N\C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=CC1=O	17968819	JJCCWKXXBJEXDO-VXTJRRPDSA-N	364.426	3.348	30	40	FGEB	
C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21	20732606	FCHGJWWLJGHDDL-JOCHJYFZSA-N	368.396	3.130	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1	21385061	VPFIQODXZPGYIN-KRWDZBQOSA-N	352.390	3.048	30	40	FGEB	
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccs2)cc1	808056	WFDVLWCYVHMLQD-INIZCTEOSA-N	371.414	3.414	30	40	FGEB	
CC(=O)NC1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O	1717347	UXODDFOOGHULIP-UHFFFAOYSA-N	368.370	3.114	30	40	FGEB	
N#Cc1ccccc1OCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	55553214	XFZXWHCKSBBPOQ-UHFFFAOYSA-N	358.401	3.129	30	40	FGEB	
C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)NC1(C#N)CCCCC1	7784341	AVZFBYZHDNSFQQ-AWEZNQCLSA-N	370.478	3.484	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)c2ccccc21	17720283	LZDQKUCBJSPLPJ-YBEGLDIGSA-N	370.361	3.225	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(C#N)cc3)nc2c1	40161857	OOFNFQVMMJSJRA-UHFFFAOYSA-N	354.435	3.132	30	40	FGEB	
N#Cc1cnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1	78695264	ZGJWHIGLIBLCHB-AWEZNQCLSA-N	359.792	3.146	30	40	FGEB	
N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NC2CCCCCCC2)CC1	42952227	GACYQBCFJRJLSI-UHFFFAOYSA-N	371.485	3.368	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2ccccc2)CC1	12544025	QIPHOSNEHJZBEW-HNNXBMFYSA-N	368.868	3.361	30	40	FGEB	
Cc1ccc([C@H](CNc2oc(C(C)C)nc2C#N)N2CCOCC2)cc1	27750099	OFIOYEIQUNJXOQ-SFHVURJKSA-N	354.454	3.464	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H](c2cccs2)C(C)C)cc1	10846920	ZSXOXOKKWFJEGY-JLWFYQMASA-N	374.462	3.399	30	40	FGEB	
C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccc(C)cc3)nc21	36617303	IGWAWRSNOXNGCJ-UHFFFAOYSA-N	367.430	3.402	30	40	FGEB	
C=CCOc1ccc(CN(C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1	14086779	DPSKPOKVTNSSQU-HRAATJIYSA-N	371.481	3.141	30	40	FGEB	
N#CCCSc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12	95953460	JLQQJTXOHGSNBB-UHFFFAOYSA-N	364.430	3.110	30	40	FGEB	
C#CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC	409035967	KSHGQWGLXPRSAT-UYOCIXKTSA-N	372.240	3.421	30	40	FGEB	
N#Cc1cccc(CN2C[C@H](OCc3nc4ccccc4[nH]3)[C@H](F)C2)c1	96112170	QZMBGRUPROTPLL-APWZRJJASA-N	350.397	3.174	30	40	FGEB	biogenic,in-vitro
N#Cc1c(Cl)nc(N2CCOCC2)c2c1CCN(Cc1ccccc1)C2	19418274	CXWRUJBEQIKCKH-UHFFFAOYSA-N	368.868	3.002	30	40	FGEB	
COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1ccccc1	1726786	WVGGHFIHAJSXFZ-VXLYETTFSA-N	372.471	3.468	30	40	FGEB	
CCCCNc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N	12421146	MTICBGGYNFKYCL-UHFFFAOYSA-N	374.466	3.210	30	40	FGEB	
C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C/c1ccco1	4866459	GEKDRDHNGSAMLF-WLASYOMRSA-N	357.410	3.481	30	40	FGEB	
Cc1ccc2c(CN3CCN(Cc4cccc(C#N)c4)CC3)cc(=O)oc2c1	22920285	IDIYRJXTCMCSCK-UHFFFAOYSA-N	373.456	3.291	30	40	FGEB	biogenic,in-vitro
O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NC[C@H]1CCCO1	100413165	JVRFOPGGFTYLHN-JJUBJSHISA-N	356.397	3.250	30	40	FGEB	
Cc1nnc([C@@H]2Cc3ccccc3CN2CCOc2ccc(C#N)cc2)o1	58406101	JPWWWARNZBMDSU-FQEVSTJZSA-N	360.417	3.428	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1	10516407	ORKHGFFPDCIESF-UHFFFAOYSA-N	356.325	3.300	30	40	FGEB	
C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1Cl	5535856	NOKYTDZNBKZSHD-MRVPVSSYSA-N	357.266	3.404	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3ccccc3Cl)C2=O)c1	408535882	OWLCYMLQNTVXJF-CYBMUJFWSA-N	355.781	3.250	30	40	FGEB	
C/N=C1/S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N1C	408930614	ZLPBDSFUECPWQJ-BFFSTQLKSA-N	369.446	3.355	30	40	FGEB	
COc1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1	408590609	PWJXSIWZSDZOCJ-CAOOACKPSA-N	361.199	3.486	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	218485677	VPNHDICAGDPECL-BZSNNMDCSA-N	359.834	3.297	30	40	FGEB	
C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1	1776007492	GMZXFGGNXGZAJZ-ZIAGYGMSSA-N	363.238	3.288	30	40	FGEB	
C=CC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)O	1321338941	LLCQBEJOGQZBNU-CYBMUJFWSA-N	350.827	3.152	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1	578710741	AGBSZGFYTHTWBZ-ZWOKBUDYSA-N	374.456	3.411	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC3(C[C@@H](OCC4CCCC4)CCO3)C2)c1	575403642	JIUHUXUGSWQAMP-IBGZPJMESA-N	354.450	3.139	30	40	FGEB	
CCCCOc1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1	8114963	BZVPWDSIRTYOJZ-UHFFFAOYSA-N	351.406	3.106	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccncc1	1225112	UDSIFTVVMBQNMK-GDBMZVCRSA-N	371.510	3.313	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cccc(O)c2)C(=O)N(c2ccccc2)C1=S	108906699	GROALLWFNVYNQV-GHRIWEEISA-N	364.426	3.122	30	40	FGEB	
CCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1	5234051	HFGJUYMFGGWJMS-LANLRWRYSA-N	367.474	3.422	30	40	FGEB	
Cc1cc(C)c2c(c1)/C(=N/Nc1nnc3c(n1)[nH]c1ccc(C)cc13)C(=O)N2	4476643	MDJKUIAWDUWFHH-UHFFFAOYSA-N	371.404	3.200	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2nncn2C)n(C2CCCCC2)c1C	14140890	VRLOXWPREGDRKR-UHFFFAOYSA-N	372.498	3.341	30	40	FGEB	
CCN(/N=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)c1ccc(C)cc1	7813889	BZVRZBZUVOZVAE-BAOGCXAUSA-N	374.510	3.028	30	40	FGEB	
CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2cccc(O)c2)C1=O	96919976	QFAVWHBCTLHVHI-FOWTUZBSSA-N	351.358	3.219	30	40	FGEB	
Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1C#N	409196824	ZDCPYIHYYYPLNB-YBFXNURJSA-N	370.412	3.392	30	40	FGEB	
N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc(C(F)(F)F)c1	42136828	ZJJVGFFACCJXTQ-UHFFFAOYSA-N	369.368	3.205	30	40	FGEB	
C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OCC)cc1	224591862	UEAPDDCQFQXPOO-UHFFFAOYSA-N	361.419	3.195	30	40	FGEB	
N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCN(c2ccccc2)CC1	256048106	QUDOSPWQKPSPOA-UHFFFAOYSA-N	364.840	3.119	30	40	FGEB	
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(C)c1[N+](=O)[O-]	845142	OWTOGHIELDVXKV-VIFPVBQESA-N	373.438	3.105	30	40	FGEB	
C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	19087694	HAFHCKQRQUDOEX-QGZVFWFLSA-N	364.357	3.359	30	40	FGEB	
CC(C)C[C@@H](NC(=O)CSc1nc(N)cc(N)c1C#N)c1ccccc1	12600787	QDUBMILSPIMRLD-MRXNPFEDSA-N	369.494	3.113	30	40	FGEB	
COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(C#N)cc2)C1	58190963	BCXAWLSEVZPDJK-INIZCTEOSA-N	350.422	3.215	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1	3354829	LQHIHLINTURSOR-UHFFFAOYSA-N	372.450	3.233	30	40	FGEB	
Cn1cc(C=C2C(=O)c3ccccc3C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1	63274998	ASXPSCUHWKATEG-UHFFFAOYSA-N	359.341	3.458	30	40	FGEB	
Cc1cc(Cl)ccc1O[C@H](C)c1ccnc2nc(/N=C/N(C)C)nn12	4084203	OIVKSJRKROUGNG-HMASQMOLSA-N	358.833	3.448	30	40	FGEB	
C=C(C)C[C@@H]1N(c2cccc(Cl)c2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3	4237655	YRCAGXDMMKPGNP-LAIHZFQQSA-N	359.809	3.046	30	40	FGEB	
COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)c(C)c2)S1	5234030	NLUACLZMXJMJCL-AGKWGAAGSA-N	367.474	3.476	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3cccs3)C[C@H]2c2nccs2)C1=O	306126803	FFPVXQTWAWSAQA-MAUKXSAKSA-N	359.520	3.209	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C#N)CC1	95081629	YDWARNJHHIYONA-UHFFFAOYSA-N	366.259	3.378	30	40	FGEB	
C=CCOc1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1	66027673	CHIRXOAIZPTAIQ-UHFFFAOYSA-N	358.350	3.186	30	40	FGEB	
C=C(C)Cn1c(=O)n2nc(-c3cccnc3)nc2c2c(C)c(C)sc21	32104372	KKBSMKVLUQOMST-UHFFFAOYSA-N	351.435	3.361	30	40	FGEB	
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCNC2=O	596970745	GFZGYVMZXOTDQO-WOJBJXKFSA-N	374.444	3.276	30	40	FGEB	
C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC	44085783	YVOFAQHWWMKFAF-UHFFFAOYSA-N	366.284	3.337	30	40	FGEB	
COc1cc(C[C@](C#N)(CO)c2nc3ccccc3[nH]2)ccc1OC(F)F	1457660	SETKXOPNXNMGLS-IBGZPJMESA-N	373.359	3.169	30	40	FGEB	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nccs2)n1	658681	ZRRDHJAXIREXJC-UHFFFAOYSA-N	358.370	3.468	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c(OC)c1OC	12861190	SSRLVLUCPJDKRZ-MFOYZWKCSA-N	370.357	3.254	30	40	FGEB	biogenic
COc1cccc(CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1OC	3586494	XKDYQONBATXGRC-UHFFFAOYSA-N	373.840	3.299	30	40	FGEB	
C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccc21	65950573	MDYSJTCUSWKBHW-OAHLLOKOSA-N	357.417	3.306	30	40	FGEB	
COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1	6886328	WEDULFSZEMIJKF-VMPITWQZSA-N	370.792	3.415	30	40	FGEB	
Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(F)c3)c3n2CCC3)cc1	16974792	RSNRDEVJZVTCDI-UHFFFAOYSA-O	350.417	3.475	30	40	FGEB	
CCOc1ccc(OCCCC(=O)O/N=C(\N)c2ccccc2C)cc1	8429714	AGYKGYRZHZMXDS-UHFFFAOYSA-N	356.422	3.416	30	40	FGEB	
CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(C#N)c3)n2)cn1	35426099	YKFVYKFHGOKBJM-KRWDZBQOSA-N	360.421	3.382	30	40	FGEB	biogenic,in-vitro
CC(=O)Nc1cccc(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)c1	1776000321	RXERQBPZPNKEJR-UHFFFAOYSA-N	370.258	3.049	30	40	FGEB	
COc1ccc2c(c1)CC/C(=C1/Nc3cccc([N+](=O)[O-])c3NC1=O)C2=O	17732220	MPYLKSRGURPQFD-SSZFMOIBSA-N	365.345	3.051	30	40	FGEB	
CNc1ccc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)O)cc2)cc1[N+](=O)[O-]	21322997	CBTTXGRVNZFZDI-YCGNWBHESA-N	370.361	3.385	30	40	FGEB	
CN(C)C(=O)CN1C/C(=C/c2cccs2)C(=O)/C(=C/c2cccs2)C1	32831740	NGCCCVGYDHMVOQ-RRFADNKVSA-N	372.515	3.250	30	40	FGEB	
CCN(CC(=O)Nc1ccc(OC)cc1)Cc1cn2ccccc2c1C#N	32871591	CUFHGLLBEGLADW-UHFFFAOYSA-N	362.433	3.280	30	40	FGEB	
O=C(N1CCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	2809936	UQAMUYDIDGMGMH-JTQLQIEISA-N	359.188	3.194	30	40	FGEB	
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccs1	8996313	SCXGAKMAGUBUJK-IBOXJLQUSA-N	374.462	3.105	30	40	FGEB	
COc1cc(CCC(=O)OCc2ccccc2C#N)cc(OC)c1OC	6453739	AABAVQUZXRXZII-UHFFFAOYSA-N	355.390	3.260	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N(CC)C2CCCCC2)cs1	58158683	KCPKOWKYMJEQGN-UHFFFAOYSA-N	351.472	3.079	30	40	FGEB	
CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1	42741662	NLIBYAIFAILUMA-HNNXBMFYSA-N	365.433	3.366	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1	100545040	NNGBVDMCFAWBHN-VHYKCRODSA-N	363.461	3.064	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(OC)ccc21	100875886	WMPRILZPHXLOSW-VXPUYCOJSA-N	352.415	3.094	30	40	FGEB	
N#CCCN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1	3291504	YQLDXGSRYBZJPN-UHFFFAOYSA-N	363.446	3.306	30	40	FGEB	
C=CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1	2486998	BJHSNGSIAKOCND-KRWDZBQOSA-N	372.446	3.075	30	40	FGEB	
N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCCC3)Cc3cccn3C2)nc1	306127085	FOEXVXVNFMYXBT-IBGZPJMESA-N	362.433	3.045	30	40	FGEB	
N/C(=N\C[C@H]1CCCO1)SCc1cc(=O)oc2cc3c(cc12)CCC3	19672819	XOPGRDRFQZLHKA-OAHLLOKOSA-N	358.463	3.009	30	40	FGEB	
C/C(=N\N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1)c1cccs1	4676296	SWLAUPCFNKYBQA-HXJASHHUSA-N	372.475	3.089	30	40	FGEB	
COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(OC)c1O	15011703	OHXJLSGEBDJJDV-XNTDXEJSSA-N	356.403	3.301	30	40	FGEB	
O=[N+]([O-])c1cccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)c1	408899899	RRNGKKWSDKGZTA-LDADJPATSA-N	371.374	3.167	30	40	FGEB	
Cc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408739902	BQMFMUUNXSOTIJ-IXJMWADBSA-N	371.849	3.415	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1	49544998	INFKYVLLGRWNJS-INIZCTEOSA-N	357.797	3.345	30	40	FGEB	
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225074148	HHODJVMYRRYQQK-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	583910206	IRZZYLMMULHENA-HFTRVMKXSA-N	363.889	3.199	30	40	FGEB	
C=CCOC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@H]2C1	253373771	KBKQAEYDAQDQLY-YSSFQJQWSA-N	352.434	3.057	30	40	FGEB	
COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1O[C@H](C)C(=O)O	5560019	BTCZPPVSSQEAHE-LLVKDONJSA-N	352.342	3.010	30	40	FGEB	
O=C1c2cc(/N=C(\NO)C(F)(F)F)ccc2-c2ccc([N+](=O)[O-])cc21	17421956	YYMPJHWWVXLTOM-UHFFFAOYSA-N	351.240	3.377	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1)c1ccccc1	18058182	FPUXCLSSIDLQSQ-QGZVFWFLSA-N	357.369	3.260	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC	1836878	NIPMSDJZBJJBEX-CUDRYGEXSA-N	374.481	3.482	30	40	FGEB	
O=c1[nH]cnc2[nH]c(N/N=C/c3c4ccccc4cc4ccccc34)nc12	6651549	VEDBTGGJKMPUGY-AUEPDCJTSA-N	354.373	3.399	30	40	FGEB	
CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(OCCCC#N)c2)C1	55570029	VVSBXZKOSBCTHF-MRXNPFEDSA-N	357.454	3.202	30	40	FGEB	
N#CCCNC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1	5102502	JZIOPBUSHWEZAV-UHFFFAOYSA-N	369.494	3.437	30	40	FGEB	
COCC(=O)N1CCCCC[C@H]1C1CCN(c2cccc(F)c2C#N)CC1	69737453	QHHXLAJBZKIGQK-IBGZPJMESA-N	373.472	3.331	30	40	FGEB	
CN(C)c1ccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])cc1	408959670	CVUMNPISCLMNBU-DEDYPNTBSA-N	350.382	3.293	30	40	FGEB	
C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OCC)c1OCC	409130581	ICJBRKAGMNEXSI-FOWTUZBSSA-N	356.422	3.291	30	40	FGEB	
C[C@]12C[C@H](O)[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1	253629645	RJTDWMKVQUPGSY-SFJDDKPZSA-N	356.462	3.341	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1	32765724	OZEHKPBSMBLWTG-HNNXBMFYSA-N	370.474	3.324	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2ccc(O)c(O)c2)C(C)(C)c2ccccc21	101920775	SRLZXRPAHTYVOU-ODLFYWEKSA-N	367.401	3.135	30	40	FGEB	
C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)C(=O)Nc1sccc1C#N	30010177	UAOQYOIBNYLAIG-MRVPVSSYSA-N	351.334	3.380	30	40	FGEB	
CC(=O)c1ccc(OC[C@@H](O)CSc2nc(C)cc(C)c2C#N)cc1	21559688	KLYDHTYYKVRTAO-MRXNPFEDSA-N	356.447	3.305	30	40	FGEB	
N#C[C@H](C(=O)CCn1c(=O)oc2ccccc21)c1nc2ccccc2s1	41502852	VXNGPKBOWTWRHI-GFCCVEGCSA-N	363.398	3.471	30	40	FGEB	
CC[C@@H]1CO[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	34858415	VBTBVEARBLELLW-HZSPNIEDSA-N	361.511	3.182	30	40	FGEB	
COc1ccc(OC)c(/C=N\CC/N=C/c2cc(OC)ccc2OC)c1	104151935	OAASQSSBLPZNGY-VOKWCDJLSA-N	356.422	3.259	30	40	FGEB	
C=CCNc1nc(C(=O)OCc2nc(-c3ccc(OC)cc3)no2)cs1	12622360	LRNXNBBAPVQQKK-UHFFFAOYSA-N	372.406	3.157	30	40	FGEB	
CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2	13142403	VOFFAYCPMVCFGB-UHFFFAOYSA-N	360.527	3.057	30	40	FGEB	
COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)c(OC)c1	64696690	UYQSXSQPGAZPJW-UHFFFAOYSA-N	373.789	3.190	30	40	FGEB	
Cc1cc(OCC(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1Cl	5994218	GOWNNECSYKVSQG-ZDUSSCGKSA-N	372.808	3.469	30	40	FGEB	
N#Cc1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)nc1	95999549	VQLDECLVWJCAIG-INIZCTEOSA-N	364.453	3.189	30	40	FGEB	
COc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)cc1	4198931	ZPXPMXLZTDRJBW-GJJHYRHESA-N	362.389	3.204	30	40	FGEB	
C=CCc1cc(/C=N\c2ccc3c(c2)OCO3)cc(OC)c1OCC(=O)O	408816467	TZDWHXFSBYLQCQ-FBHDLOMBSA-N	369.373	3.366	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(Br)c(OCC)cc1OCC	33705765	YEQVRVODIMTWFU-RQZCQDPDSA-N	374.304	3.064	30	40	FGEB	
C=CCn1c(CCCC)nnc1SCC(=O)N1CCc2ccccc21	408560860	PUDCRBFHXKVUCF-UHFFFAOYSA-N	356.495	3.488	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1	409380769	HVKZQBNMAKTIEJ-UHFFFAOYSA-N	358.463	3.328	30	40	FGEB	
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	224904757	QAPLCVAQDMWBPE-UHFFFAOYSA-N	360.435	3.035	30	40	FGEB	
C=CCN(c1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1	224368391	PECMMMQSHJWOJF-UHFFFAOYSA-N	370.474	3.304	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)c1	1776001484	WCHPIBGZJZBQEK-QGZVFWFLSA-N	350.397	3.255	30	40	FGEB	
O=C1N=C(/N=C\C(Cl)(Cl)Cl)N[C@H](C(Cl)(Cl)Cl)O1	3135428	PKGVQJAMIKYNTK-GHBUHBNNSA-N	361.827	3.220	30	40	FGEB	
CCOc1ccc(CNC(=S)N/N=C/c2cccc(OC)c2OC)cc1	903761	LWORWGSRCICRFC-FYJGNVAPSA-N	373.478	3.101	30	40	FGEB	
O=[N+]([O-])c1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1	19790548	DXLAPXDLGPZWKB-MOSHPQCFSA-N	358.829	3.400	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc(C)cc2)nc1	5699138	RKAPLRPPEPDCLF-HMMYKYKNSA-N	360.483	3.257	30	40	FGEB	
C=CCO[C@@H]1CC2(CCN(C(=O)C3CC(O)C3)CC2)c2cc(C)ccc21	1614939006	JLRNNGLCBLJTDW-LBXVMSDZSA-N	355.478	3.274	30	40	FGEB	
C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12	15109522	GAEPKURXFCRWEI-NRFANRHFSA-N	359.429	3.405	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nnc1C1CC1	108876137	XBUFTGNYLLIPRO-DARAHFNDSA-N	360.527	3.375	30	40	FGEB	
N#Cc1ncc(C(F)(F)F)cc1N1CCN(c2ccc(F)cc2)CC1	1391429	SRYMYXGAJGDPKP-UHFFFAOYSA-N	350.319	3.438	30	40	FGEB	
C[C@@H](NC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(-n2ccnc2)cc1	12749967	WNJWDHDUMYBDKJ-OAHLLOKOSA-N	373.416	3.215	30	40	FGEB	
C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	12907782	RHBDGOUVUOMYNA-HUUCEWRRSA-N	363.417	3.060	30	40	FGEB	
CCCC[C@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)O	4687180	BRQMQWSFBSCECQ-SFHVURJKSA-N	357.450	3.107	30	40	FGEB	
CC(C)(C)c1ccc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	5504706	XMAHTAIWQQTDRN-LDADJPATSA-N	361.423	3.205	30	40	FGEB	
C=CCNc1nnc(SCC(=O)N2N=CC[C@@H]2c2ccccc2)s1	4945104	LKNBVDBKDYEMFW-CYBMUJFWSA-N	359.480	3.188	30	40	FGEB	
CN(CCC#N)C(=O)COC(=O)CSc1cc(Cl)ccc1Cl	71865784	AZIOFCFICZLFDS-UHFFFAOYSA-N	361.250	3.001	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	18188474	MEBUZILXXZMCFY-OALUTQOASA-N	373.372	3.381	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccc2ncccc2c1	408739607	CYDAOVRYFGZPCX-LTNVFZTJSA-N	374.425	3.001	30	40	FGEB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C(=O)O)cc1	218403646	IMZQXJFNMFHJFV-BJLQDIEVSA-N	369.442	3.092	30	40	FGEB	
CC1(C)OB([C@H]2CCN(C(=O)NC3Cc4ccccc4C3)C2)OC1(C)C	1776007420	BENRZCTWBVGTEA-INIZCTEOSA-N	356.275	3.032	30	40	FGEB	
Cc1cccc(NC(=O)C[C@@H]2S/C(=N/c3nccs3)N(C)C2=O)c1	13151744	CFZTVNPUPMJBGS-NWLJZCLZSA-N	360.464	3.042	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	7375778	YGZBOCKGHXZSIP-RUDMXATFSA-N	368.389	3.336	30	40	FGEB	
Cc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1	5987054	MVDIIGJODMQKBJ-HNNXBMFYSA-N	352.390	3.206	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(NC(C)=O)ccc21	100703298	RDRBCQPTTRTLHU-QOCHGBHMSA-N	367.405	3.175	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cccc(OC)c21	100910039	YHWTYJHLHWVUCX-MRCUWXFGSA-N	364.426	3.288	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1[C@@H]2c1ccc(C(=O)O)cc1	44902070	BDQLVXPOPIEMGQ-QGZVFWFLSA-N	362.389	3.111	30	40	FGEB	
C[N+](C)(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)C)cc2)cc1	1595254	MPPOBDZBHGFJLE-UHFFFAOYSA-N	354.494	3.131	30	40	FGEB	
C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc2ccccc2c1=O	12601063	HANSAVMDGHZYKF-GASCZTMLSA-N	371.506	3.179	30	40	FGEB	
CC(C)(C)c1nc(C#N)c(NC[C@@H](c2cccs2)N2CCOCC2)o1	27794092	NGHYDSFAEVRJGK-AWEZNQCLSA-N	360.483	3.391	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3947128	HYOCFGXXBGCOJV-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
CC[C@H](O/N=C(\C)c1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1	14397979	FPHRZNMPIYWFCT-GKXUUXLPSA-N	358.398	3.099	30	40	FGEB	
CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1	408707721	CWAXRDAFTVZGCR-UHFFFAOYSA-N	373.497	3.384	30	40	FGEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	38963133	VSGTWMOZGFNRPM-IIEHVVJPSA-N	360.494	3.055	30	40	FGEB	in-vitro
COc1ccc2c(c1)CCC[C@@H]2C/N=C(/O)[C@H]1COCCN1CC(F)F	329525998	SVCLXQYWKQKKJZ-RHSMWYFYSA-N	368.424	3.038	30	40	FGEB	
Cn1c(CO[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]2F)nc2ccccc21	96112193	SYZIYWCQKVQBDR-XLIONFOSSA-N	364.424	3.184	30	40	FGEB	biogenic,in-vitro
COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccco1)N(C)CC3)OCO2	20112854	MJHXWNKZSIZNGU-SQRWCISFSA-N	355.390	3.219	30	40	FGEB	biogenic
C=CCOc1cccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)c1	13677721	FJVFXUKNERZECR-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
CCCCOc1ccc([C@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC	4342115	MAQKIHVEVTXFKK-SFHVURJKSA-N	356.426	3.344	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1	100175806	YXMDIQCDLJBXNR-LSRUDAKXSA-N	351.450	3.064	30	40	FGEB	
CN(C)c1cc[n+]([C@@H]2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1	6437319	KPRZGXWSEJRIHL-HXUWFJFHSA-N	358.421	3.142	30	40	FGEB	
C=CCN(CC=C)Cc1c(C)nc2ccc(N3CCOCC3)cc2c1O	8717442	CLPZIRUKDIWRDL-UHFFFAOYSA-N	353.466	3.259	30	40	FGEB	
COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3ccccc3n(C)c1=O)C2	85877146	PQSBYHXJEFZBTJ-XNTDXEJSSA-N	361.397	3.378	30	40	FGEB	biogenic
COc1ccc2c(c1)CC/C(=C/c1cnc(N3CCOCC3)s1)C2=O	96315910	FLECHSMXUVVHQZ-KAMYIIQDSA-N	356.447	3.201	30	40	FGEB	
CO[C@@H](C)C/C=N\Nc1nnc(N/N=C\C[C@@H](C)OC)c2ccccc12	17418188	BRCPZVOBLPHGKE-HVJQUQEBSA-N	358.446	3.275	30	40	FGEB	
Cc1cccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)c1	19961391	YLFSYCOSNWCRHC-JKSUJKDBSA-N	371.400	3.046	30	40	FGEB	
C=CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21	2721464	PDCGIXASWFSRJS-UHFFFAOYSA-N	365.433	3.212	30	40	FGEB	
COCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C)ccc21	100872343	XCKOZKVLDLXLLS-VZCXRCSSSA-N	351.431	3.270	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccc2F)no1	102929861	OUEFLHZIOPCDGM-UYTDBDHRSA-N	368.320	3.341	30	40	FGEB	
Cc1c(N2CCC(NC(=O)c3ccccc3)CC2)cc(C#N)cc1[N+](=O)[O-]	42109817	OOEBISWMTDFKIT-UHFFFAOYSA-N	364.405	3.174	30	40	FGEB	
CCc1nnc2n1N(C(C)=O)C(c1ccc(Cl)cc1)=C(C(C)=O)S2	4518259	NLFDOJAAWYQRGW-UHFFFAOYSA-N	362.842	3.042	30	40	FGEB	
CNC(=S)N[C@H](/N=C(/OC)c1ccc(C)cc1)C(Cl)(Cl)Cl	13739595	ABWLGLRTOITLDW-HPAYWCODSA-N	368.717	3.178	30	40	FGEB	
COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(C#N)cc1	6579333	XACCGIOJZHXLQH-UHFFFAOYSA-N	359.179	3.360	30	40	FGEB	
C=CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(COC)nn2c1C	40385234	NJRZEFGIJJYGLP-UHFFFAOYSA-N	372.812	3.242	30	40	FGEB	
N#Cc1c2c([nH]c(=NC[C@@H]3CCCn4ccnc43)c1C#N)CCCCCC2	619486039	HQTBYRVXHXHCKD-HNNXBMFYSA-N	360.465	3.092	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2c1O[C@@H](C)C(=O)N2	104289315	KRZRNTKYHWSXHD-AWEZNQCLSA-N	366.417	3.243	30	40	FGEB	
C=C1C(=O)O[C@@H]2/C=C(/C(=O)O)CC/C=C(\C)C[C@@H](OC(=O)/C=C(\C)CC)[C@@H]12	5733901	ILNNCSSDKBHGFO-GCOATXLRSA-N	374.433	3.494	30	40	FGEB	
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1	104308500	IZIGNXRFQCHBAX-JZJYNLBNSA-N	363.483	3.018	30	40	FGEB	
CO/N=C/Nc1nc2nccc([C@@H](C)Oc3ccc(Cl)cc3C)n2n1	3134421	OZWWQEQUDKBSCF-LLVKDONJSA-N	360.805	3.228	30	40	FGEB	in-vitro
C/C(=N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)c1ccco1	59475399	RXCZHQWJTMSQBB-HNVGSXOXSA-N	371.418	3.291	30	40	FGEB	
CCOc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3F)C2=O)cc1	11046828	PJPMBPCDALKQCA-HXUWFJFHSA-N	367.380	3.063	30	40	FGEB	
C=CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1	2486997	BJHSNGSIAKOCND-QGZVFWFLSA-N	372.446	3.075	30	40	FGEB	
CC(=O)N1CCc2cc(NC(=O)COc3ccc(C#N)cc3Cl)ccc21	12975206	XEUVTWCELNJTTC-UHFFFAOYSA-N	369.808	3.138	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@H]1c1ccco1	5346795	GACPDWUPCMMOPZ-INIZCTEOSA-N	373.372	3.167	30	40	FGEB	
Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccco1	5345450	ULDYWXCHSBNVBM-HNNXBMFYSA-N	350.378	3.193	30	40	FGEB	
O=C(O)CCCCCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1	4694023	JVBIVNBVVMGQFJ-UHFFFAOYSA-N	357.450	3.108	30	40	FGEB	
Cc1cc(N/N=C/c2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1	4812496	PRJUQUSBJVGZRW-VXLYETTFSA-N	366.252	3.374	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(C#N)cc1	6887222	YIXWLJOGKGPYBZ-UHFFFAOYSA-N	374.400	3.156	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1	7055690	LYPMYSGFXZONPH-UHFFFAOYSA-N	356.403	3.401	30	40	FGEB	
O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccccc1Cl	408535770	ORWHCDFLTIGEID-JTQLQIEISA-N	359.744	3.081	30	40	FGEB	
C=CCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	44900008	LKISEBVMEVJEBX-UHFFFAOYSA-N	372.446	3.179	30	40	FGEB	
CC(C)(C)c1cc(N2CCN(c3ncc(C#N)cc3Cl)CC2)ncn1	1775974127	VUUWRDRIOOXHMC-UHFFFAOYSA-N	356.861	3.021	30	40	FGEB	
C=C1/C(=N/Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N(C)C(=O)N1C	4292496	UODOYYMCTAIDHK-WQRHYEAKSA-N	361.616	3.452	30	40	FGEB	
Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1	23881918	BJNLFKBTZMINFY-UHFFFAOYSA-N	350.809	3.429	30	40	FGEB	
COc1cccc(-c2nc3n(n2)[C@H](c2cccnc2)C2=C(CCCC2=O)N3)c1	4189666	OGSWBKBIEQDEHR-LJQANCHMSA-N	373.416	3.371	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1	19927900	FLDKFHQBXPYLBH-SFHVURJKSA-N	368.433	3.118	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCCCC2)cc1	101783123	BALNBMREHYOJMR-VXPUYCOJSA-N	363.527	3.054	30	40	FGEB	
N#CCCN(Cc1ccco1)C[C@H](O)CO[C@H]1CCCc2ccccc21	25702854	FZJZRABWKIDSBU-RXVVDRJESA-N	354.450	3.450	30	40	FGEB	
N#CCCN(C(=O)COC(=O)Cc1ccc(Cl)cc1)c1ccccc1	3234479	RBELHXLUYRIKLZ-UHFFFAOYSA-N	356.809	3.373	30	40	FGEB	
CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1	2248646	ROTFREVWYGKFJH-INIZCTEOSA-N	365.481	3.390	30	40	FGEB	
C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1	408614599	FCOAJTSCGPBGPT-HNNXBMFYSA-N	374.462	3.045	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1	49545000	INFKYVLLGRWNJS-MRXNPFEDSA-N	357.797	3.345	30	40	FGEB	
Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4)CC3)n2)cc1C	256049069	XZIXGZDDIVEKRG-UHFFFAOYSA-N	358.449	3.082	30	40	FGEB	
OC/C(I)=C/C(F)(C(F)(F)F)C(F)(F)F	2525718	RLTYZSOFMJFAHD-IWQZZHSRSA-N	351.987	3.131	30	40	FGEB	
C=CCc1cc(C)ccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1	23212012	WDYIXLPYUNDXQP-JOCHJYFZSA-N	366.505	3.285	30	40	FGEB	
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)n1	105586218	HBEOFUDKYCAWBD-UHFFFAOYSA-N	362.408	3.489	30	40	FGEB	
CCOC(=O)[C@@H](C#N)[C@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2	2370040	AHMSOQXNLRNHGP-QFBILLFUSA-N	353.374	3.259	30	40	FGEB	
CCOc1ccccc1N/N=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C	13898692	CTJQNNZYDYRPDS-LVZFUZTISA-N	367.365	3.184	30	40	FGEB	
CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O	409237471	USHPYUWOTVVXER-LDADJPATSA-N	361.401	3.440	30	40	FGEB	
C#CCOc1ccc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1OC	409374969	CJYFMDBCZJYPMV-MTJSOVHGSA-N	372.808	3.350	30	40	FGEB	
COCCOc1ncccc1N=C(O)N1CC[C@H](C(F)(F)F)C1(C)C	330946368	AOOLEPZNWNKHND-LBPRGKRZSA-N	361.364	3.315	30	40	FGEB	
O=C1/C(=N/c2cccc(Cl)c2)c2ccccc2N1CN1CCOCC1	17073545	CCOLFPWLRPFRNR-DYTRJAOYSA-N	355.825	3.097	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1	20761975	UBYSQTHXKDIULH-HNNXBMFYSA-N	364.353	3.068	30	40	FGEB	biogenic
N#Cc1ccccc1N1CCCN(C(=O)c2ccccc2-n2cccn2)CC1	53212007	SPLXTYQNEPDWRC-UHFFFAOYSA-N	371.444	3.096	30	40	FGEB	
C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	4737291	VKGLYGYIMBTVKI-VCHYOVAHSA-N	368.305	3.446	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cccc(Cl)c1	4944596	MCEDWWLOTNDACG-LBPRGKRZSA-N	361.854	3.186	30	40	FGEB	
CCCCCCCCCCS(=O)(=O)N/N=C1\C(=O)Nc2ccccc21	100945885	RIBOUKWJAMGFPQ-UHFFFAOYSA-N	365.499	3.403	30	40	FGEB	
CC(C)(C)c1ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)cc1	33861896	JZWAHGDFAHQHAR-UHFFFAOYSA-N	357.479	3.484	30	40	FGEB	
Cc1ccc([C@](O)(CCNc2nnc(C)c(C)c2C#N)C(F)(F)F)o1	24056064	GBZYHEIRXQAOJC-OAHLLOKOSA-N	354.332	3.119	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)OCc3cccc4cccnc34)CC2)nc1	45746895	AUPFMZRHSSBVMP-UHFFFAOYSA-N	372.428	3.461	30	40	FGEB	
CCOc1ccc(N/N=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1	6600729	XQKOPJHAECODRU-LVZFUZTISA-N	367.365	3.184	30	40	FGEB	
COc1cccc(/C=N\c2cc(C(=O)O)ccc2C)c1O[C@@H](C)C(=O)O	409231427	KETULKYQLUVKAJ-XGTDKWECSA-N	357.362	3.304	30	40	FGEB	
N#Cc1c(CCCNC(=O)/C=C/c2ccccc2)nn(-c2ccccc2)c1N	33040702	ROCPQRKRUVFBQJ-BUHFOSPRSA-N	371.444	3.088	30	40	FGEB	
C#CCOc1c(I)cc(C(C)(C)C)cc1C(=O)O	225284309	GYIOKTWNZZHMLT-UHFFFAOYSA-N	358.175	3.299	30	40	FGEB	
C=CCNC(=O)c1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1	538706544	INLGFDICOOOYBD-UHFFFAOYSA-N	369.490	3.127	30	40	FGEB	
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)[C@H](CO)N(C)C1=O	299888616	QNQBPPQLRODXET-PTVWODQFSA-N	373.493	3.021	30	40	FGEB	
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O	6072812	COFAZZFWAYBRKU-HIPMGEKLSA-N	354.358	3.252	30	40	FGEB	biogenic
C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C#N)CCCCCC2	79124019	ULSQQOOJSDZBEA-TZMCWYRMSA-N	359.495	3.380	30	40	FGEB	
C=CCNc1nnc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)s1	54360593	ZWQUIACWBACSGT-XFXZXTDPSA-N	358.448	3.373	30	40	FGEB	
Cc1cc(C)cc(OCCN(C)CC(=O)N(C)C2(C#N)CCCCC2)c1	12800191	YFLWJYDRJXZNMV-UHFFFAOYSA-N	357.498	3.299	30	40	FGEB	
COc1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1	13590110	YZKFCMPMISHZDV-BRLDDBHUSA-N	353.447	3.168	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1	14184397	FNPXGKBWNHVZGL-SFHVURJKSA-N	359.351	3.127	30	40	FGEB	
CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1	5451670	LUWFOHSQAMIDFS-MRXNPFEDSA-N	360.417	3.342	30	40	FGEB	
C=CCN(CC=C)C(=O)CSc1nnc(NCc2ccco2)s1	7161724	ATLJCTDXGADBBS-UHFFFAOYSA-N	350.469	3.036	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(OC)cc3)n2)c1	33327407	PXWAFODPWFHEAZ-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
C=CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)CC1=O	19015187	ZPXCRBBIHGGEAR-MGSPEMMDSA-N	352.478	3.110	30	40	FGEB	
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(N)=S)cc2)c1O	6242462	UXKRXLSARZKTHP-GIJQJNRQSA-N	360.395	3.105	30	40	FGEB	
C[C@H](CC#N)N(C)S(=O)(=O)c1cc(Br)ccc1Cl	103496292	PNGVDVDOGCHTEZ-MRVPVSSYSA-N	351.653	3.025	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C)nc2c1c(C)nn2C	55891629	RRTWRXXTYWTWGE-UHFFFAOYSA-N	364.449	3.422	30	40	FGEB	
COc1ccc(Br)cc1/C=N/Nc1ncccc1[N+](=O)[O-]	409099095	QDCMMVMTDVLCNX-LZYBPNLTSA-N	351.160	3.207	30	40	FGEB	
C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1	13809996	UANKCHLKDFLWDX-OWCLPIDISA-N	363.465	3.021	30	40	FGEB	
CC(C)N1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccccc2S1(=O)=O	4915881	BCUMFXVCCGMEPQ-QGOAFFKASA-N	370.474	3.389	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1	222764334	UDFLFHQWEOPYGA-GOSISDBHSA-N	350.462	3.339	30	40	FGEB	
N#Cc1ccc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c([N+](=O)[O-])c1	54055977	JTQKYKIQIOCALH-OAHLLOKOSA-N	352.398	3.126	30	40	FGEB	
NC(=S)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	657803	STHHHQNUABYPEY-UFWORHAWSA-N	368.245	3.380	30	40	FGEB	
O=C(O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(F)cc2)S1	12376499	PTRQTCVWTXEJEW-MEUCICPISA-N	358.394	3.432	30	40	FGEB	
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2F)c1=O	3251459	IFCGZOFACKPXKM-UHFFFAOYSA-N	368.751	3.438	30	40	FGEB	
N#Cc1ccccc1NC(=O)CCN1CCCN(Cc2cccs2)CC1	58166347	HXRIBZREQRKKKU-UHFFFAOYSA-N	368.506	3.156	30	40	FGEB	
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnc(C)cn3)c2)c1	12820013	QMAPURUBDVRMQH-UHFFFAOYSA-N	371.396	3.224	30	40	FGEB	
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1O	19285962	DCIUDRDGHINCCG-LJQANCHMSA-N	371.433	3.320	30	40	FGEB	
CCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1	5451671	LUWFOHSQAMIDFS-INIZCTEOSA-N	360.417	3.342	30	40	FGEB	
C[C@H]1CN(c2ccccc2NC(=O)Nc2ccn(CCC#N)n2)C[C@H](C)O1	97164656	FJVMJJXEBCECHF-GJZGRUSLSA-N	368.441	3.054	30	40	FGEB	
C=CCN(c1ccc(C(=O)N(C)C2CCCCC2)cc1)S(C)(=O)=O	30859534	IFYLTUPUBGOMFE-UHFFFAOYSA-N	350.484	3.043	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@]1(C)O	253390398	BIGBTKXKWUHWLH-FERDWTOESA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
CN(C(=O)OC(C)(C)C)[C@@H](CNc1nccnc1C#N)Cc1ccccc1	685939899	JWZGMHKYEBIXQR-MRXNPFEDSA-N	367.453	3.238	30	40	FGEB	
C=CCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2ccccc21	12116462	SCZOZIZNSOTBQQ-UHFFFAOYSA-N	352.482	3.498	30	40	FGEB	
C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc(C)nc2)nc1C	12773807	DEEZJTGOKLYQKJ-UHFFFAOYSA-N	372.479	3.140	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C	6348339	MXNDNIIZXCYKKH-RAXLEYEMSA-N	362.223	3.308	30	40	FGEB	
N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1	21468518	OKPHZYYPCGHKDR-GOSISDBHSA-N	364.401	3.072	30	40	FGEB	
Cc1cc(Cl)ccc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N	8844126	MVJJVFSIVDJFML-UHFFFAOYSA-N	352.825	3.252	30	40	FGEB	
COc1ccccc1N1CCN(CCCOc2ccc(C#N)cc2)CC1	43117072	KJDQECDPERMLLS-UHFFFAOYSA-N	351.450	3.158	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccnc2)no1	9087638	ZUHUHEUGEBEREY-KRWDZBQOSA-N	361.357	3.161	30	40	FGEB	
C=CCN1[C@H](Cc2c[nH]c3ccccc23)[C@@H](O)c2ccccc2S1(=O)=O	13690131	MRHIHQSQKKLKOP-QUCCMNQESA-N	368.458	3.003	30	40	FGEB	
C#CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21	112264351	IVSYEXOBRLTBIP-LKUXTKQQSA-N	371.440	3.114	30	40	FGEB	
COc1ccc(C(=O)NCCSCc2ccccc2C#N)c(OC)c1	7649013	IPMPJQFPANBJIE-UHFFFAOYSA-N	356.447	3.239	30	40	FGEB	
N#Cc1cccnc1N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	95999553	MTYUTINFAPOVFJ-INIZCTEOSA-N	364.453	3.189	30	40	FGEB	
N#Cc1cccnc1N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	95999542	WPQKMNUZLRVKTE-KRWDZBQOSA-N	372.432	3.313	30	40	FGEB	
C=CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	408872699	OJKFMGCARNGJRQ-SSZFMOIBSA-N	364.426	3.083	30	40	FGEB	
COc1cc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2cc1OC	34791602	PPJMFYGGMBRWCD-UHFFFAOYSA-N	371.462	3.275	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1	225147724	KRTNZJONBPCUBI-UHFFFAOYSA-N	359.447	3.240	30	40	FGEB	
N#Cc1ccc(O[C@H]2CCN(C(=O)C3CC(c4ccc(F)cc4)C3)C2)nc1	590001128	VXTJERPSMQSKRP-TVPLGVNVSA-N	365.408	3.266	30	40	FGEB	
Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(N(C)C)cc2)cc1[N+](=O)[O-]	12462444	VWYBRGFEAOJPEF-YBEGLDIGSA-N	351.362	3.314	30	40	FGEB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	100420971	ZGAHLNIDBUQCQV-UKRRQHHQSA-N	364.401	3.063	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1	6416066	PQWBBGZNLPTUKI-UHFFFAOYSA-N	358.463	3.328	30	40	FGEB	
N#Cc1ccc(COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1	3297062	DCUSHACJUSSVDM-UHFFFAOYSA-N	363.822	3.119	30	40	FGEB	
CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(OC)cc1OC	57524911	VJRZSZOWGBWVLN-OAHLLOKOSA-N	354.406	3.423	30	40	FGEB	
C=CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccncc1	10231630	ORHDSKXNEKSGDD-UHFFFAOYSA-N	371.510	3.409	30	40	FGEB	
C/C(=N\Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)NC(=O)CO2	13186818	CCZUYZVDLCDAMU-AWQFTUOYSA-N	359.769	3.205	30	40	FGEB	
C[C@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1	64099561	XLCNNVPOLQZRTC-UWVGGRQHSA-N	367.876	3.021	30	40	FGEB	
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1	13692609	OKZGTMDODQQMRY-VRKJEAOJSA-N	364.401	3.029	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1	6864894	GPNNDCSDLGAFKT-UHFFFAOYSA-N	355.188	3.261	30	40	FGEB	
C=CCn1cnnc1SCC(=O)Nc1ccc(Br)cc1C	8772435	VMYPDJIQQGWQFB-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
CC(C)OC(=O)COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1	409186674	GITZJSOJHBGEBE-VXLYETTFSA-N	358.350	3.381	30	40	FGEB	
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1	224797218	VPZHVPGMFKAHSY-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
N#Cc1cccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)c1	96229003	LVJVVYZXCOCDNK-JOCHJYFZSA-N	362.477	3.072	30	40	FGEB	
O=C(OCCNC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(F)cc1	100897356	WPGDDBLCMCBMBZ-UHFFFAOYSA-N	373.767	3.102	30	40	FGEB	
CCN(CCC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1	31173912	FBFWDDOVBSHPEY-OAHLLOKOSA-N	371.462	3.110	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(F)cc2F)s1	32891703	BIVFOIAPGARQAE-UHFFFAOYSA-N	374.394	3.129	30	40	FGEB	
C[C@H](C(=O)Nc1sccc1C#N)N1CCN(c2cccc(Cl)c2)CC1	57355234	CDHWMXWKUCQAQY-CYBMUJFWSA-N	374.897	3.422	30	40	FGEB	
CC1(C)C[C@H]2C[C@@]1(C)CN2c1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1	103763178	PYEWWBPDYIAPIZ-DHYXDHFXSA-N	354.414	3.083	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CSc1ccccc1	3282113	XRSGMFBSVHNWEW-UHFFFAOYSA-N	360.822	3.486	30	40	FGEB	
C=CCNC(=O)Nc1ccc(NC(=O)CSCc2ccccn2)cc1	58277766	OVXWQDXJPBECEM-UHFFFAOYSA-N	356.451	3.261	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	55664181	DVFJELJHJLCJPP-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
Cc1c(Cl)cc(S(=O)(=O)N(CC#N)c2ccccc2)cc1[N+](=O)[O-]	58141697	NUWAGVILCXXVFH-UHFFFAOYSA-N	365.798	3.276	30	40	FGEB	
N#Cc1cccc(C(=O)c2ccc(CN3CCC4(CC3)OCCO4)cc2)c1	2514721	SBLMRMORWVXNMQ-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
C=C(C)COc1ccc2c(C)c(C/C(O)=N/c3ncn[nH]3)c(=O)oc2c1	8992180	MVUWQTGMABIHNK-UHFFFAOYSA-N	354.366	3.005	30	40	FGEB	
O=C(/C=C/c1nnsc1N1CCOCC1)c1ccc2ccccc2c1	5242877	JGZIWCANTFTYQK-BQYQJAHWSA-N	351.431	3.424	30	40	FGEB	
COCCN1CCC(c2c(C)c(-c3ccccc3)nc(N)c2C#N)CC1	67742209	ZTFVNEIPJHQRNG-UHFFFAOYSA-N	350.466	3.337	30	40	FGEB	
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC#N	408816782	KEHSPEKRIAXMRR-WQLSENKSSA-N	352.799	3.307	30	40	FGEB	
N#Cc1cccc(C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)c1	71195809	CJYBMAFORBAEJM-LJQANCHMSA-N	355.401	3.218	30	40	FGEB	
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	5575164	SZAHIEIJJDKFRX-WEZRLVATSA-N	374.477	3.156	30	40	FGEB	
N#CCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1	18895598	HVVNTZWNNAQXHF-UHFFFAOYSA-N	367.224	3.152	30	40	FGEB	
COc1ccc(OC)c(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c1	20572992	XMLMIRCIUPSUDX-ZDLGFXPLSA-N	369.417	3.396	30	40	FGEB	
Cc1ccc([N+](=O)[O-])cc1/N=C(/c1ccc([N+](=O)[O-])cc1)N1CCOCC1	13496560	KIBSYETYJSDQNG-HNENSFHCSA-N	370.365	3.222	30	40	FGEB	
C[C@@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N1CCOCC1	40067641	NRRZKJSQDNKPTL-UZLBHIALSA-N	364.449	3.142	30	40	FGEB	
C[C@H]1C[C@H]1C(=O)Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1	53527232	PSBLFVYATXGRKG-SMDDNHRTSA-N	362.393	3.098	30	40	FGEB	
CCOC(=O)[C@H](C#N)[C@@H](c1ccc2c(c1)OCO2)c1ccccc1OC	915650	VUELZPLNAANNNG-BEFAXECRSA-N	353.374	3.259	30	40	FGEB	
N#Cc1ccccc1N1CCC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1	109077767	AARQRUTVYRUZMP-LJQANCHMSA-N	358.449	3.102	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CNC(=O)NCc1ccccc1	27154732	YSZGEXFYIXEBRZ-UHFFFAOYSA-N	355.463	3.403	30	40	FGEB	
Cc1c(NC(=O)C2(C#N)CCCC2)cccc1C(=O)N1CCSCC1	58183784	HPCSEJPEEUHFHV-UHFFFAOYSA-N	357.479	3.207	30	40	FGEB	
C[C@H](NC(=O)CN(C)c1ccc(C#N)cn1)c1cccc(Br)c1	58166333	POGCXJBKWJCKMX-LBPRGKRZSA-N	373.254	3.029	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1	58163646	KJVKTCDKLRKARU-GOSISDBHSA-N	366.377	3.196	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1	100925178	AMFVLUWXGBRYTC-CKJIYCFSSA-N	356.447	3.206	30	40	FGEB	
C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@H]2C=CCC2)nc1C	12912331	FERDDKGYTYVGSU-LLVKDONJSA-N	361.496	3.480	30	40	FGEB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1/C=N/c1ccc(Cl)cc1	4738585	IKZZISXDCDQADS-UMXKZIAQSA-N	359.744	3.081	30	40	FGEB	
COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br	409068085	FPTMNHGHYWREDG-LZYBPNLTSA-N	351.160	3.207	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C#N)c2)c1	7265498	USYBURUJIGQIQD-UHFFFAOYSA-N	371.462	3.150	30	40	FGEB	
O=C1/C(=C/c2ccc(OC(F)F)cc2)CS(=O)(=O)c2ccccc21	28912704	JBNDBROCTDUKDY-FMIVXFBMSA-N	350.342	3.342	30	40	FGEB	
O=C1NC(=Nc2ccc(Cl)c(C(=O)O)c2)S/C1=C\c1ccncc1	408820433	XRONRKPITBLCGP-QPEQYQDCSA-N	359.794	3.325	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)C(O)=NC1=S	96504869	SXLBMIVXSKIXBX-FOWTUZBSSA-N	351.431	3.439	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1CCCC(=O)Nc1sccc1C#N	89729929	LPYOFNNYJPFEPC-UHFFFAOYSA-N	352.419	3.057	30	40	FGEB	
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2	18197599	IECLEMGTXFDCFA-SGTLLEGYSA-N	364.430	3.461	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)n1	6606017	DVISDRYPLGNDMU-VIFPVBQESA-N	370.217	3.187	30	40	FGEB	
CSc1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	23436887	IRHOIHBLYODKOM-UHFFFAOYSA-N	351.475	3.238	30	40	FGEB	
Cc1nnc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)c(C#N)c1C	40083085	TXOIKFDISNIFBS-SFHVURJKSA-N	371.872	3.104	30	40	FGEB	
CC1CCN(C(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)CC1	3136733	WPNFXIBNHMYVMQ-LLVKDONJSA-N	373.215	3.440	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccc(F)cc2)cc1)NC[C@@H]1CCCO1	100413161	JVRFOPGGFTYLHN-ZIHVZMLCSA-N	356.397	3.250	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)c1nn(CC)c(=O)c2ccccc12	57637114	DXORYYWIPQRSAR-UHFFFAOYSA-N	353.447	3.306	30	40	FGEB	
Cc1sc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)c(C#N)c1C	58163039	DLODDZDXMYBXES-UHFFFAOYSA-N	355.419	3.139	30	40	FGEB	
C=CCn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O	3362780	QOLPRHUGERXYGR-UHFFFAOYSA-N	371.487	3.053	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)n2ncc(C#N)c2N1	72332735	BKKFHTZUOWQIFK-LJQANCHMSA-N	371.400	3.388	30	40	FGEB	
O=S(=O)(N/N=C(\c1ccccc1)c1ccccn1)c1ccc(Cl)cc1	5680370	JUQLWCFWSCRQRC-DYTRJAOYSA-N	371.849	3.466	30	40	FGEB	
CN(C)CCn1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O	67258701	FPACHTGEGVCBGG-UHFFFAOYSA-N	364.474	3.122	30	40	FGEB	
C#CCOc1c(Cl)cc(CNCc2cn3ccsc3n2)cc1OC	72274584	BLSAOKGRIQVTMX-UHFFFAOYSA-N	361.854	3.360	30	40	FGEB	
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NC1(C#N)CCCCC1	8752364	LGSPMTVDHPFNOK-LLVKDONJSA-N	361.496	3.356	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccccc1Cl	408741532	QJIWDBRVLSVHPN-NJDFMEINSA-N	357.822	3.106	30	40	FGEB	
CN(C)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(F)cc2)O1	2272798	ZSUSDVHQJHCIDB-UHFFFAOYSA-N	357.229	3.341	30	40	FGEB	
C=CCn1c(SCC(=O)N(CCC)CCC)nc2ccccc2c1=O	1249281	VZZLCGXRDYUTBX-UHFFFAOYSA-N	359.495	3.323	30	40	FGEB	
COc1ccc(-n2cccc2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1	59104087	OXDGDQJQVRPZDC-XSFVSMFZSA-N	369.446	3.107	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1	9468196	ZFYLOMXTKQMENG-UHFFFAOYSA-N	369.446	3.031	30	40	FGEB	
COc1cc(CN(C)S(=O)(=O)c2cccc(C#N)c2)ccc1SC	58194277	DTKIWFCFQCRCEN-UHFFFAOYSA-N	362.476	3.109	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccncc1	18404467	RUXHNCZGQYUXTM-UHFFFAOYSA-N	361.430	3.373	30	40	FGEB	
Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1[N+](=O)[O-]	4103842	ZTWANWMKIMKGEY-UHFFFAOYSA-N	357.391	3.343	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O	409129550	GWSTUIHAWUDHNU-NTEUORMPSA-N	372.764	3.377	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(OC)cc1	409143284	MPDODLXMDAFRPL-UHFFFAOYSA-N	370.474	3.483	30	40	FGEB	
CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(C)cc([N+](=O)[O-])c1O	36108848	NMOKJRRRKFFRGY-RGVLZGJSSA-N	366.377	3.153	30	40	FGEB	
CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224779565	ZCXOHYCASNXAJD-UHFFFAOYSA-N	359.407	3.185	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1	40157229	IFILIVBKAUTWEF-UHFFFAOYSA-N	364.361	3.244	30	40	FGEB	
Cc1ccccc1-n1cnnc1SCC(=O)NC1(C#N)CCCCC1	4501138	KRROGSJAIBXCPI-UHFFFAOYSA-N	355.467	3.011	30	40	FGEB	
C=CCc1cc(C)ccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1	23212010	WDYIXLPYUNDXQP-QFIPXVFZSA-N	366.505	3.285	30	40	FGEB	
CCCC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	102932693	HFTBENDSNSIXLW-WBWKYDSYSA-N	372.465	3.482	30	40	FGEB	
Cc1cc(C)nc(-n2nc(C)c(C#N)c2NC(=O)/C=C/c2ccccc2)n1	9134289	TUWQCKBKTYNEAV-MDZDMXLPSA-N	358.405	3.111	30	40	FGEB	
CCOc1cc2c(cc1/C=C/C(=O)c1ccc3[nH]c(=O)[nH]c3c1)O[C@H](C)C2	9881798	MVQDXOKXWSHXJS-HOSRBBHYSA-N	364.401	3.474	30	40	FGEB	
N#CC1(F)CCN(Cc2ccc(CN3CCC(F)(C#N)CC3)cc2)CC1	510903696	SKJDATWLUFRSEQ-UHFFFAOYSA-N	358.436	3.342	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	225652570	QPBVBOSGUGRZNH-RCCFBDPRSA-N	361.850	3.090	30	40	FGEB	
CCCCCCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	95897388	MLOSMBCDIYIBFM-UHFFFAOYSA-N	369.469	3.006	30	40	FGEB	
Cc1nc(COc2ccc(C(=O)OCc3cc(C#N)ccc3F)cc2)no1	12077554	LECAHTXCBOXVDQ-UHFFFAOYSA-N	367.336	3.325	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC	14006572	IORILLMFCSIQSZ-AWEZNQCLSA-N	354.406	3.017	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1	11525894	SPSKUQQABBOODN-UHFFFAOYSA-N	361.357	3.421	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1cccn1Cc1cccs1	52323904	ZNQJKQJSAGRPBW-UHFFFAOYSA-N	371.443	3.327	30	40	FGEB	
CCOC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C#N)c1=O	1585090	MDJRGGCMPPEHFG-UHFFFAOYSA-N	359.385	3.012	30	40	FGEB	
Cc1ccc([C@H](C)NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)cc1C	22321377	CPOPGMNSMRAJQF-AWEZNQCLSA-N	359.857	3.471	30	40	FGEB	
Cc1cc(C)n(CCNC(=O)c2ccc(Cl)cc2Cl)c(=O)c1C#N	12390484	VZYFMHTULABUCH-UHFFFAOYSA-N	364.232	3.074	30	40	FGEB	
N#C[C@@H](C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	107335048	KHXXHIAKMMJUER-VTPLQMEGSA-N	367.474	3.476	30	40	FGEB	
CCc1ccc2nc(N=C3NCN(C4CCCCC4)CN3)nc(C)c2c1	19320882	SPNCWVHSJOUDPC-UHFFFAOYSA-N	352.486	3.231	30	40	FGEB	
C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1	14060215	ULECGGKDDJAXAR-UHFFFAOYSA-N	368.462	3.175	30	40	FGEB	
Cc1cc(SCC(=O)N2CCCC2)n2c(nc3ccccc32)c1C#N	6551363	CIFGVXFUWLCKFU-UHFFFAOYSA-N	350.447	3.382	30	40	FGEB	
N#Cc1c(COC(=O)c2cncc(Br)c2)cn2ccccc12	14852123	FJNITULNQNUZDE-UHFFFAOYSA-N	356.179	3.325	30	40	FGEB	
COc1ccc(/C=N/Nc2nc(C#N)cc(-c3ccc(OC)cc3)n2)cc1	4855655	QGYAXFSFIBICDL-LPYMAVHISA-N	359.389	3.478	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2	7856793	QEHLMRZQODSLHF-LLVKDONJSA-N	358.781	3.024	30	40	FGEB	
CCc1cc(N[C@@H](C)CC[S@](C)=O)n2c(nc3ccccc32)c1C#N	76092966	PTWKAWWXMPNIMH-ZJWNCGCPSA-N	354.479	3.491	30	40	FGEB	
CC(C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl	409402473	FIENILMXOQKTTL-MGBSGCIJSA-N	358.825	3.268	30	40	FGEB	
CC1CCN(S(=O)(=O)c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1	1775977463	YZQRLQDBFYGKAC-UHFFFAOYSA-N	365.842	3.287	30	40	FGEB	
Cc1cc([N+](C)(CC(=O)N2CCCCC2)Cc2ccccc2)nc(C)n1	5541396	ONRIGRKBQQUHFF-UHFFFAOYSA-N	353.490	3.243	30	40	FGEB	
C=CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccccc1	12654741	VZHTZEBUKHPGOI-UHFFFAOYSA-N	369.446	3.422	30	40	FGEB	
CCCOc1ccc(/C=C2/NC(C)=C(C(=O)OCC)C2=O)cc1OCC	19995570	PZZACAMOZZZOOA-RVDMUPIBSA-N	359.422	3.224	30	40	FGEB	
C#CCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21	1889134493	YCHOBUYYLVMLNY-UHFFFAOYSA-N	360.822	3.417	30	40	FGEB	
CCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CC)n2c(CC)nnc2S1	4518295	PRSHCYYNTNNDAW-UHFFFAOYSA-N	374.441	3.308	30	40	FGEB	
C=CCNC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12	6790624	GDPNIEFLFXKGLW-UHFFFAOYSA-N	350.374	3.262	30	40	FGEB	
CCN(CC)c1nc(N)c(C#N)c([C@H](C#N)Cc2ccc(C)cc2)c1C#N	25286841	XRELZPLQBBNCLI-INIZCTEOSA-N	358.449	3.412	30	40	FGEB	
N#Cc1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1	58406459	UMXUMBZMDKKFJX-MRXNPFEDSA-N	352.413	3.011	30	40	FGEB	
COc1cccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1OC	4188407	WVMZKNJXVXXXST-FYJGNVAPSA-N	374.404	3.279	30	40	FGEB	
CCOC(=O)COc1cccc(/C=C2\Oc3cc(OC)ccc3C2=O)c1	4339561	JYBNBQOSXKBUNQ-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
Cc1cc2occ(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c2cc1C	5628022	OKZJPIPCNFJPBC-HXUWFJFHSA-N	356.422	3.190	30	40	FGEB	
Cc1c(C#N)c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2c1CCC2	9114506	YKEYZQSUINFNSZ-BFUOFWGJSA-N	356.495	3.285	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1	7698937	MCCBMULIIZYWGK-UHFFFAOYSA-N	371.396	3.391	30	40	FGEB	
CC(C)(C)[C@]1(C)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O	193752237	XYWPKTOJKCLINK-MRXNPFEDSA-N	364.243	3.177	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(Cc3nc4c(s3)CCC4)C2)c1	1776001471	VBZBBKOOBWNXKZ-OAHLLOKOSA-N	354.479	3.189	30	40	FGEB	
COCCNC(=S)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	35507199	ODGOLVKWQWAVAK-TVJQZGFISA-N	355.463	3.025	30	40	FGEB	
C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)cc2F)C[C@@H](C)O1	55531204	OUHJQRWBLIPWRW-HUUCEWRRSA-N	359.445	3.139	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1	4124042	YXMDIQCDLJBXNR-QYISXJNESA-N	351.450	3.064	30	40	FGEB	
CCOc1ccc(CC/N=C/c2c(CO)cnc(C)c2O)cc1OCC	5110748	XNXLRAPIUMFODE-CIAFOILYSA-N	358.438	3.047	30	40	FGEB	
CCOC(=O)C1=C(C)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	16682317	FIUKIHKCWCPPOP-XNTDXEJSSA-N	368.345	3.205	30	40	FGEB	
COc1ccc(NC(=S)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1OC	6370262	LQVQUDUEYADGJY-YBFXNURJSA-N	374.422	3.323	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2cc(C)ccc21	4987879	FMODDTRRFLAJTN-JOCHJYFZSA-N	365.429	3.273	30	40	FGEB	
Cc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12	2086867274	CXGHWBWEFRTLKA-HOTGVXAUSA-N	361.474	3.444	30	40	FGEB	
C=CCN(CC=C)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2	2751079	GDJDWBZAPUEPBL-UHFFFAOYSA-N	364.445	3.471	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1	3281093	GVPJEDJVZCFZOO-UHFFFAOYSA-N	362.886	3.499	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1)c1ccco1	4092037	WHBCRYGEYLKMGQ-GOSISDBHSA-N	360.369	3.453	30	40	FGEB	
CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)O[C@@H](C)C2	12560696	UPKYZTOPUIFMRC-LBPRGKRZSA-N	358.419	3.081	30	40	FGEB	
N#Cc1cccc(/C=C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)c1	58152724	ITBAXRGMBKGQRF-FNORWQNLSA-N	361.810	3.106	30	40	FGEB	
N#Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)c1	58190597	KRUYKVGIPTVNMQ-MRXNPFEDSA-N	354.454	3.251	30	40	FGEB	
Cc1cc(-c2n[nH]c(=S)n2/N=C/c2cc([N+](=O)[O-])ccc2Cl)n[nH]1	13142813	AOQJSHAJGFWZGF-GIDUJCDVSA-N	363.790	3.083	30	40	FGEB	
CC(C)COc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccco1	5451297	XSQAXVUDMSFUJC-HNNXBMFYSA-N	364.405	3.181	30	40	FGEB	
CCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409373932	WYKKIEYKMYSNMF-LSCVHKIXSA-N	351.815	3.116	30	40	FGEB	
CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	75108490	MCECJDAFZKUBES-UHFFFAOYSA-N	360.395	3.008	30	40	FGEB	
C#CCOc1cccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)c1	36357518	KVBULMHIHJHWJY-HNNXBMFYSA-N	369.446	3.115	30	40	FGEB	
C=CCN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225079965	XVSXKYPOWQMCEF-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)C3CC4(C3)CC4(F)F)CC2)OC1(C)C	1776000207	PAWRJBGMQXGLPI-UHFFFAOYSA-N	353.218	3.212	30	40	FGEB	
O=C(CO/N=C/c1ccccc1O)Nc1c(F)c(F)c(F)c(F)c1F	5770511	ZRFCCPOLRJGHSW-IGCPIRJNSA-N	360.238	3.077	30	40	FGEB	
C[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O	4898463	MIRJOPJTUDNXKK-GTRNMBJESA-N	368.418	3.449	30	40	FGEB	
Cc1ccc(S(=O)(=O)O[C@@H](COc2ccccc2)Cn2ccnc2)cc1	6133811	FLEYFGZYMFGPJB-GOSISDBHSA-N	372.446	3.045	30	40	FGEB	
CCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CC)n2cnnc2S1	4518293	BCZDKVWLWNTHTN-UHFFFAOYSA-N	362.842	3.260	30	40	FGEB	
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)cc1	4944407	NJSCOVRXMCKVDM-AWEZNQCLSA-N	371.462	3.311	30	40	FGEB	
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2)cc1	836433	CVQPUZPHCUWVPS-SFHVURJKSA-N	365.385	3.352	30	40	FGEB	
COc1ccc([C@H]2C3=C(CCCC3=O)NN2c2nc(C)cc(C)n2)cc1	8558915	PCUUKCGLXLEJDZ-IBGZPJMESA-N	350.422	3.175	30	40	FGEB	
C/C(=N\OCC(=O)OCc1cccc(F)c1F)c1ccc2c(c1)OCO2	25830355	LUEPNTKDXYQUHJ-SRZZPIQSSA-N	363.316	3.178	30	40	FGEB	
CC1=CC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	59811491	QLAPPSIXOBEVQR-YZDBRTMNSA-N	366.373	3.465	30	40	FGEB	
COc1c(F)c(F)c(C(=O)/C=C2\Nc3ccccc3NC2=O)c(F)c1F	102984338	FBFMAYVZWJLYNM-TWGQIWQCSA-N	366.270	3.382	30	40	FGEB	
C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3cc(C)ccc3nc2C)c1	58277694	KEQLZWSFVLKHAA-UHFFFAOYSA-N	371.440	3.226	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)nnc1C1CC1	103064380	XBUFTGNYLLIPRO-SJXGUFTOSA-N	360.527	3.375	30	40	FGEB	
COc1cc(/C=N/Nc2nc3ccccc3s2)ccc1OCC(=O)O	4478039	OPRYMFXCFPMYHG-GIJQJNRQSA-N	357.391	3.214	30	40	FGEB	
COc1ccccc1/N=C1\NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2O)S1	4694910	CYPAJKDYISGABK-NTEUORMPSA-N	371.374	3.201	30	40	FGEB	
C=CCNC(=O)NC(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C	4989144	NECMQKODLWKPJH-UHFFFAOYSA-N	366.373	3.063	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1	17074353	WKVHKEZHTYKSKX-UHFFFAOYSA-N	360.870	3.034	30	40	FGEB	
CCN(CC)CCNC(=O)c1ccc(/N=C/c2cccc(OC)c2O)cc1	44835932	KLFWHZRDHZQBQH-HZHRSRAPSA-N	369.465	3.223	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)c1	1776001470	VBZBBKOOBWNXKZ-HNNXBMFYSA-N	354.479	3.189	30	40	FGEB	
C[C@@H](F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	1083813019	SJWHZRSOWLQOOD-GSVOUGTGSA-N	360.169	3.117	30	40	FGEB	
N#Cc1ccccc1NC(=O)c1cc2c(cc1Br)OCCO2	11689865	WTLBVCZGJSUOHG-UHFFFAOYSA-N	359.179	3.344	30	40	FGEB	
CN1C(=O)[C@@H](CC(=O)NCc2ccccc2)S/C1=N\c1ccc(F)cc1	12417002	PUAQLNBOGVBFJE-BWORXHKJSA-N	371.437	3.094	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccs2)sc2c1CCC2	7550579	AKOMRMVFRFKTNY-VOTSOKGWSA-N	358.444	3.365	30	40	FGEB	
N#Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	12864222	LBQPJFOUPBFLMU-UHFFFAOYSA-N	351.450	3.219	30	40	FGEB	
CN1/C(=C\C=N\NS(=O)(=O)c2ccccc2)C(C)(C)c2ccccc21	7777568	NHRNTUBZHLIIOD-ONPRKJMBSA-N	355.463	3.262	30	40	FGEB	
CN1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)CC1	225869314	XTMPCTYCFDGSBP-UHFFFAOYSA-N	364.280	3.049	30	40	FGEB	
CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1	5809117	PSWCXQCJDBVUSZ-MRXNPFEDSA-N	369.446	3.333	30	40	FGEB	
CSc1nc(C)c(C)c(N2CCN(Cc3ccc(C#N)cc3)CC2)n1	2086988610	IVNVQYKWOWRGIJ-UHFFFAOYSA-N	353.495	3.009	30	40	FGEB	
CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(c2)COCO3)cc1	101637028	JEVQOZRHBFHHJF-KRWDZBQOSA-N	350.374	3.077	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)c2ccc3c(c2)OCCO3)c1C#N	96335735	MPRWEMOBMFCDPP-UHFFFAOYSA-N	370.430	3.154	30	40	FGEB	
O=C(Nc1nnc(C(F)(F)F)s1)NC(C(F)(F)F)C(F)(F)F	68574906	WCFZEWIKDGFFOA-UHFFFAOYSA-N	362.177	3.172	30	40	FGEB	biogenic
CC(C)(C)c1ccc(/C=N/OCC(=O)N2CC(=O)Nc3ccccc32)cc1	8345671	JNDQQCGNZNJDMJ-WSDLNYQXSA-N	365.433	3.320	30	40	FGEB	
CN1CCN(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1	24035258	ALSQNDIGWFHWMH-KGENOOAVSA-N	356.857	3.174	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C#N)C1	4275221	YZJPCCVQPIRCCY-UHFFFAOYSA-N	361.373	3.055	30	40	FGEB	
COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc1O	12321622	WWAWJRWKRWVIPU-HNNXBMFYSA-N	356.382	3.006	30	40	FGEB	
NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2cccc3ccccc23)C1=O	100512806	QYXFUHVMKRFUIM-PTGBLXJZSA-N	373.441	3.098	30	40	FGEB	
N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)c(Cl)c1	12562949	VGWJTMYBEMCWCZ-UHFFFAOYSA-N	363.826	3.183	30	40	FGEB	
COc1ccc(Br)cc1/C=N/n1c(C)nc2ccccc2c1=O	3283533	ISIXYGOUDFEJLY-VXLYETTFSA-N	372.222	3.358	30	40	FGEB	
Cc1nnc(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c(C#N)c1C	58280880	HKWFPPQDPKAXIX-AWEZNQCLSA-N	352.316	3.009	30	40	FGEB	
CC(C)(C)C(=O)Nc1cccc(NCC(=O)NC2(C#N)CCCCC2)c1	24359361	FYRXDPRNYLTUOO-UHFFFAOYSA-N	356.470	3.426	30	40	FGEB	
CC(C)COc1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1	2649400	FIJHCXKSYWYSRP-UHFFFAOYSA-N	352.390	3.389	30	40	FGEB	
C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1cccc(C#N)c1	4267546	VMMRCFUGVAGPDD-NSHDSACASA-N	362.418	3.202	30	40	FGEB	
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3ccccc3)S2)cc1	5124047	ZNIWWKJMXCGAGB-RSZPVBOMSA-N	353.447	3.250	30	40	FGEB	
CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2	9699232	CZQCBMWFOZKRBX-UHFFFAOYSA-N	361.496	3.149	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(I)o2)cc1	408995616	MNTSIQMRRWOZSB-NTUHNPAUSA-N	357.107	3.238	30	40	FGEB	
CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218372878	QLWPPTGRGHFDHC-SLFFLAALSA-N	355.459	3.481	30	40	FGEB	
CON=C(C(=S)Oc1nc2ccccc2s1)c1csc(N)n1	256009597	WRTVTCFELAEIEQ-UHFFFAOYSA-N	350.450	3.092	30	40	FGEB	
COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC	846400	XDWOYKUMSGRBHX-GOSISDBHSA-N	352.390	3.215	30	40	FGEB	
CCCCS(=O)(=O)OCC(CC)(CC)COS(=O)(=O)CCCC	100318983	QOURGJDTNCZVHX-UHFFFAOYSA-N	372.549	3.086	30	40	FGEB	
COc1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc1OC	9287742	WFHOPOAXOZSSOP-UHFFFAOYSA-N	364.401	3.469	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(F)c3F)CC2)nc1	25282052	GDQLNROBBLKGPH-UHFFFAOYSA-N	360.339	3.226	30	40	FGEB	
CN(C)/C=N\C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	100256258	OCQXZRQYZUXDPE-WNFQYIGGSA-N	372.265	3.299	30	40	FGEB	
N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O	4698809	CCKRVWBBMWKMMM-LZYBPNLTSA-N	352.371	3.206	30	40	FGEB	
COc1cc(/C=N/NCCO)ccc1OCc1ccc(C(C)(C)C)cc1	82251737	CLQOZBXUSLUCNO-OEAKJJBVSA-N	356.466	3.488	30	40	FGEB	
C[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	97922803	BTXLHCQLUCSQPL-KSSFIOAISA-N	368.437	3.078	30	40	FGEB	
CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc(O)cc2O)c1	2234976	VPACARSBNRSLCY-VCHYOVAHSA-N	356.407	3.300	30	40	FGEB	
COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC	3585607	BFVJSFFXRPWVQO-UHFFFAOYSA-N	373.840	3.299	30	40	FGEB	
C=CCc1ccc(OCC(=O)N(C)Cc2ccc3c(c2)OCO3)c(OC)c1	14016204	VLPPDWYCSIFNBM-UHFFFAOYSA-N	369.417	3.190	30	40	FGEB	
CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1O	6677826	FBZFROAFASYWAC-INIZCTEOSA-N	372.450	3.126	30	40	FGEB	
Cc1cccc(-n2ccnc2SCC(=O)N(C)C2(C#N)CCC2)c1C	66335894	QVLUULRFKQMVDW-UHFFFAOYSA-N	354.479	3.486	30	40	FGEB	
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1	408965369	KUYUSCPRCZIPKT-FOWTUZBSSA-N	369.446	3.316	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)n1nnc(-c2ccccc2Cl)n1	8221440	RWOZBQNISRLHLV-LLVKDONJSA-N	352.785	3.065	30	40	FGEB	
C=CCOc1ccccc1CN1CCc2nc(-c3ccccn3)nc(O)c2C1	72339894	DFWWOUFRSHEOPQ-UHFFFAOYSA-N	374.444	3.367	30	40	FGEB	
CCOc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC	409097956	OKHYKFZGUQLIBF-GIJQJNRQSA-N	350.762	3.497	30	40	FGEB	
Cc1noc(C)c1[C@H](C)C/C(O)=N/C[C@@H]1CCC2(CCOCC2)[C@H]1O	328690426	IJUKKFWXLNNARY-MRAWALMUSA-N	350.459	3.309	30	40	FGEB	
Cc1nc(CN2CCC3(CC2)OCCN(CC#N)c2ccccc23)cs1	96243974	VQBSNXHKAFLBDP-UHFFFAOYSA-N	368.506	3.303	30	40	FGEB	
C[C@H](CC#N)N(C)C(=O)c1cc(Cl)ccc1I	78421180	YQKUNPAKEVIRSD-MRVPVSSYSA-N	362.598	3.319	30	40	FGEB	
C=CCOc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21	12204307	NYZGPXNBRDSUHK-UHFFFAOYSA-N	358.781	3.451	30	40	FGEB	
Cc1ccc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1	9711067	UHHLQVJVHDPNEC-UHFFFAOYSA-N	362.477	3.284	30	40	FGEB	
CSc1nc(N2CCN(c3ncccc3C#N)CC2)cc(C(C)(C)C)n1	1888866307	WMJOJZPYQWCMMC-UHFFFAOYSA-N	368.510	3.089	30	40	FGEB	
CN1/C(=C\C(=O)COC(=O)c2cccc(O)c2)C(C)(C)c2ccccc21	32942913	WNMTUESMIRSVNA-UNOMPAQXSA-N	351.402	3.430	30	40	FGEB	
CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC	979674	KPIJWKFUXULNKP-WOJGMQOQSA-N	368.842	3.060	30	40	FGEB	
N#CCN(C(=O)CSc1ccc2c(c1)OCCCO2)c1ccccc1	24311817	XVOCKHCNUYNPOA-UHFFFAOYSA-N	354.431	3.497	30	40	FGEB	
C#C[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C3(C[C@H]2C1)OCCO3	118915169	MQTQESZYELRKMR-CVLIFIHMSA-N	372.505	3.316	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)OCCOc3ccccc3C)cc2C1=O	5569383	KXDLPVFDYGCYAI-UHFFFAOYSA-N	365.385	3.013	30	40	FGEB	
C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3C(C)(C)C)c2cc(C)ccc21	32103804	UOOCYEFOFASKOH-OAQYLSRUSA-N	362.433	3.204	30	40	FGEB	
C=CCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)O	217608483	BXMIXVZNMBDJOC-ZDUSSCGKSA-N	360.435	3.022	30	40	FGEB	
O=C(NCC#CCN1CCCCC1)c1ccccc1C(=O)c1ccccc1	75164740	YAWGCPAEKVUOMT-UHFFFAOYSA-N	360.457	3.137	30	40	FGEB	
COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N	225776239	ZFSQCPADCHROFM-UHFFFAOYSA-N	354.381	3.393	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1	252514253	BKQLFPNIVKCSPT-KZNAEPCWSA-N	361.850	3.436	30	40	FGEB	
CC(=O)Nc1nn(-c2ccccc2)c(O)c1/N=C/c1cccc([N+](=O)[O-])c1	102945856	VRQJTSPXKNQOAN-YBFXNURJSA-N	365.349	3.195	30	40	FGEB	
C[C@@](C#N)(NC(=O)CN[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1	55855404	UDUUNULCAXVUDE-SFTDATJTSA-N	351.425	3.313	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(C)cc1	102927080	FQZXDKYWSFMNQS-WOOAAIBNSA-N	365.429	3.453	30	40	FGEB	
CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)NC(=O)N1C	12699558	KPLWOSUZNVHHPP-QGZVFWFLSA-N	364.401	3.083	30	40	FGEB	
COc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2ccc(F)c(F)c2)cc1	48634822	KGFQBQKFAORWRO-SNVBAGLBSA-N	371.361	3.086	30	40	FGEB	
Cc1ccc2nc(C3=C(N)N(c4ccc(F)c(Cl)c4)CC3=O)[nH]c2c1	5182858	SVGOZUQFSSIKLL-UHFFFAOYSA-N	356.788	3.380	30	40	FGEB	
COC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O	5243916	DMXWJAXBNMNASF-JVMRMLDLSA-N	354.431	3.381	30	40	FGEB	
CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccc(F)cc2)n1	4474097	JCHBXZOHYSBJJZ-LPYMAVHISA-N	365.416	3.135	30	40	FGEB	
COc1ccc(/C(N)=N/OC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1	14074979	VJDJFURRMKOPKQ-UHFFFAOYSA-N	368.311	3.200	30	40	FGEB	
Cn1c(SCC(=O)N(CCC#N)Cc2ccco2)nc2ccccc21	7154008	FRTUPDCOQKDIEK-UHFFFAOYSA-N	354.435	3.201	30	40	FGEB	
N#Cc1cccnc1N1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1	71890480	YYMIFBKTRWWPRN-LJQANCHMSA-N	352.482	3.351	30	40	FGEB	
N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCN(c2ccccc2)CC1	8694305	BODHDAUCASAOIZ-UHFFFAOYSA-N	364.840	3.119	30	40	FGEB	
Cc1cc(/C=N\NC(N)=S)c(C)n1-c1cccc(Br)c1	409062746	AECNTOINHLSHMB-IUXPMGMMSA-N	351.273	3.024	30	40	FGEB	
N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1	24213143	QFBWAUHGTBYDLU-UHFFFAOYSA-N	370.796	3.082	30	40	FGEB	
Cc1cc(/C(O)=N/CC2(c3ccc4c(c3)OCCO4)CCCC2)cnn1	329793901	BNHLMFFGWYNFOG-UHFFFAOYSA-N	353.422	3.373	30	40	FGEB	
N#Cc1cc(N2CCC[C@@H](F)C2)cc(N2CCC[C@H](F)C2)c1[N+](=O)[O-]	584086714	YMRBHGXNFDCCQJ-KGLIPLIRSA-N	350.369	3.343	30	40	FGEB	
Fc1cnc(N/N=C\c2ccc(-c3ccccc3)o2)nc1N1CCOCC1	5151195	MDTPZHBMQDZUEO-UUYOSTAYSA-N	367.384	3.158	30	40	FGEB	
CC(=O)/C(=N\OC(=O)Nc1cccc(Cl)c1)C(=O)N1CCCCCC1	5631582	UPUCLOXAAMMIGA-HMMYKYKNSA-N	365.817	3.236	30	40	FGEB	
C[C@H](Oc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1)C(=O)O	13361736	MMPNIVJRXMINCD-IADWALHJSA-N	354.358	3.206	30	40	FGEB	
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1	20649243	NVRVTYVXQKZJBQ-UKWGHVSLSA-N	371.396	3.445	30	40	FGEB	
C#CCOc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1	6295386	UDVJHULNCXVVBO-QGZVFWFLSA-N	368.483	3.065	30	40	FGEB	
CCCCCCCCOC(=O)[C@H](N)Cc1ccc(OC)c([N+](=O)[O-])c1	104807824	RGJWKBJRRXFXCX-OAHLLOKOSA-N	352.431	3.377	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC	111458788	XQRNPKPEBOWPRL-OCKHKDLRSA-N	360.757	3.110	30	40	FGEB	
N#Cc1ccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1	12896009	MWOIBYLJYORGBS-UHFFFAOYSA-N	362.429	3.424	30	40	FGEB	
N#CC1(NC(=O)CSc2nc(/C=C/c3cccs3)n[nH]2)CCCC1	14160780	LYXBMIMEYOPGJQ-AATRIKPKSA-N	359.480	3.081	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1	4513176	BQNSLODDVZJIHB-UHFFFAOYSA-N	372.479	3.022	30	40	FGEB	
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1	216303743	MQUMGHKGFIYMNO-UHFFFAOYSA-N	363.826	3.030	30	40	FGEB	
N#Cc1ccc(N2CCC[C@H](N3CCC=C(c4cccnc4)C3)C2=O)cc1	329596250	PEFSHZWPWOCQIL-NRFANRHFSA-N	358.445	3.238	30	40	FGEB	
CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NC2CCC(C)CC2)C1=O	101661942	HBMYALLEKOQZFW-ALLBUHFWSA-N	365.518	3.352	30	40	FGEB	
O=S1(=O)OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21	5934739	VJYGFSGAAOVTLC-UHFFFAOYSA-N	368.366	3.214	30	40	FGEB	in-vitro
COc1ccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)cc1OC	20589907	HVNZBTIWUREQLB-ZDLGFXPLSA-N	369.417	3.396	30	40	FGEB	
COc1ccc([C@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	836898	BMZDKWWOQOVMEE-KRWDZBQOSA-N	369.339	3.200	30	40	FGEB	
C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(CCC)C2=O)cc1OC	6879246	IYOJUVQOJKHPOV-CQSZACIVSA-N	367.854	3.377	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c1	2631557	VUYKQKTYZDTPPD-FJIBGIISSA-N	359.407	3.189	30	40	FGEB	
CC(C)(C)c1ncc(/C(O)=N/S(=O)(=O)Cc2ccc(C#N)cc2)s1	63234314	YUNPZPKMTYFWAZ-UHFFFAOYSA-N	363.464	3.147	30	40	FGEB	
N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1	49581345	VZIGIQSQVLODKR-NRFANRHFSA-N	356.429	3.257	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O	409129700	SAJABSQWIXLVMX-LDADJPATSA-N	359.385	3.216	30	40	FGEB	
COC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)cc2)c(C#N)c1C	5531410	QHCSRWSFLIQFDR-RMKNXTFCSA-N	356.403	3.375	30	40	FGEB	
CN(C(=O)CSc1nncn1-c1ccccc1)C1(C#N)CCCCC1	4835266	LRVNEVHKOMFWSZ-UHFFFAOYSA-N	355.467	3.044	30	40	FGEB	
C=CCOc1ccc(CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1	6862063	FESMMRKZUFSGHP-UHFFFAOYSA-N	355.394	3.230	30	40	FGEB	
N#Cc1c(CCCNC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]c1N	7990021	OCCRTYIXPFMYQG-UHFFFAOYSA-N	361.405	3.018	30	40	FGEB	
COc1ccccc1/C(N)=N/OCc1cc(Cl)c2c(c1)OCCCO2	83976057	BGAXUXQYJOOCFV-UHFFFAOYSA-N	362.813	3.347	30	40	FGEB	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(CCC#N)C3CC3)C2)c1	84083522	RCRMIGIFYMJOMT-KRWDZBQOSA-N	353.466	3.060	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218372713	QLWPPTGRGHFDHC-HSALFYBXSA-N	355.459	3.481	30	40	FGEB	
O=C(NCC#CCN1CCc2ccccc2C1)c1ccccc1C(F)(F)F	70641606	PAUJKEAKLDMRHM-UHFFFAOYSA-N	372.390	3.497	30	40	FGEB	
COc1cccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1	14608165	JTOZMTOMMYRAJF-BFUOFWGJSA-N	362.389	3.295	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nnc(NCc3ccco3)s2)cc1	7161657	LSBQOCDIGOIYAK-UHFFFAOYSA-N	371.447	3.346	30	40	FGEB	
CCS(=O)(=O)c1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)cc1	10253232	YOVDUXCHIXXIIU-UHFFFAOYSA-N	362.476	3.211	30	40	FGEB	
C=CCn1/c(=N/C(=O)COc2ccccc2)sc2cccc(OC)c21	100909809	PSVLWEWWEMIGTK-VXPUYCOJSA-N	354.431	3.404	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2oc(C)nc2c1	16261461	NNSJBDRMQGUBNE-UHFFFAOYSA-N	351.362	3.424	30	40	FGEB	
C=CCc1cc(/C=N/O)cc(OCC)c1OS(=O)(=O)c1ccccc1	409069183	HZSSXDBYXFSFED-CPNJWEJPSA-N	361.419	3.390	30	40	FGEB	
C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)cc1	224865490	PZCDLRPZUQOPOH-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1	223838183	HHMPPDGRBHVQDX-UHFFFAOYSA-N	361.419	3.147	30	40	FGEB	
N#Cc1cccnc1NCCNC(=O)Nc1cc(-c2ccccc2)ns1	72309660	DVXRFLHCFFFQBI-UHFFFAOYSA-N	364.434	3.310	30	40	FGEB	
COc1ccc2nc(/C(N)=N/N=C\c3ccc(N(C)C)cc3)sc2c1	5879025	IMSPYAQEIDSEDA-JAIQZWGSSA-N	353.451	3.110	30	40	FGEB	
C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cccc(OC)c21	100910170	BKSFTIIHCVIXQL-MRCUWXFGSA-N	366.442	3.241	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N1CCC(CCc2cc(OC)cc(OC)c2)CC1	21396517	SSIRNIFCJMIHOZ-MRXNPFEDSA-N	360.498	3.039	30	40	FGEB	
COc1ccc(N/N=C(\C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1	2706723	UMCLMOTYOIYUPI-HYARGMPZSA-N	350.296	3.477	30	40	FGEB	
C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O	2151722	SGUHBWYGHGTMTR-SIKLNZKXSA-N	371.440	3.039	30	40	FGEB	biogenic
C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1ccoc1C	10279432	BWTRGVYCVXVHCA-OAHLLOKOSA-N	354.435	3.351	30	40	FGEB	
CC1=C[C@H](c2ccc(Cl)cc2)N2N=C(/N=C(\O)c3ccco3)NC2=N1	6782724	HTFNEGVNDJHXQF-CYBMUJFWSA-N	355.785	3.429	30	40	FGEB	
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)c1C	7050825	CEDMLNJMLKRCEX-UHFFFAOYSA-N	361.430	3.266	30	40	FGEB	
CC(C)(C)NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N	19852285	TYPFLYODCOHSED-UHFFFAOYSA-N	371.491	3.142	30	40	FGEB	
Cn1nc(C(=O)Nc2ccccc2SCCC#N)c2ccccc2c1=O	95953516	ZSRMBEIWOOCVGG-UHFFFAOYSA-N	364.430	3.192	30	40	FGEB	
Cc1cc(C)nc(N/N=C\c2cc(Br)c(N3CCCC3)o2)n1	408852156	CQTOIULAZIKLDD-MFOYZWKCSA-N	364.247	3.495	30	40	FGEB	
O=C1CCCC2=C1C(c1ccc(O)c([N+](=O)[O-])c1)C1=C(CCCC1=O)N2	409033768	LPMORBFSPWMNBE-UHFFFAOYSA-N	354.362	3.001	30	40	FGEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1	409283854	SERLVXFOHGFOLZ-UHFFFAOYSA-N	372.222	3.309	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)COC)cc1	218408762	WVGMOKCEXWYOMF-HSALFYBXSA-N	355.459	3.345	30	40	FGEB	
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1sc2c(c1C#N)CCCC2	1053856	MBBVWOIQMWSAHG-AWQFTUOYSA-N	357.508	3.073	30	40	FGEB	
C=CCNc1nnc(S[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)s1	100118818	JCWCSVJRFFCSEN-CYBMUJFWSA-N	374.491	3.177	30	40	FGEB	
Cc1oc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(C#N)c1C	57363115	OBBYEYYUWNGBED-UHFFFAOYSA-N	372.856	3.182	30	40	FGEB	
COc1ccccc1[C@H](C(C#N)C#N)[C@@H]1C(=O)N(Cc2ccccc2)N=C1C	100564438	LUORPJDVYTXPIN-RTWAWAEBSA-N	372.428	3.477	30	40	FGEB	
O=C(O)C12CC3C[C@H](C1)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C3)C2	104202851	JRFRBFKDALNJPN-DRHJVPLVSA-N	374.353	3.182	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1	67062527	IDPFQBNWLBCBKY-SFHVURJKSA-N	357.360	3.120	30	40	FGEB	
C#CCOc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OC	5016774	XILJPEVYKVJFOD-LFIBNONCSA-N	351.333	3.191	30	40	FGEB	
N#Cc1c(O)nc(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1	17073776	WMRQNKHXJWEYIV-UHFFFAOYSA-N	357.417	3.047	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(O)=NC1=S	1307122	UAAYLWLOUNUESO-FOWTUZBSSA-N	367.474	3.038	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cccc(C)c21	100910234	YLBVLQKDLGFTMC-MRCUWXFGSA-N	364.426	3.172	30	40	FGEB	
O=C1C(=O)N(c2ncccn2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1	102880710	SINKWRJKRSEWSA-GROYHEBESA-N	357.369	3.103	30	40	FGEB	
Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nc4ccccc4c3=O)c2O)cc1	100811190	CORYOKCOEAMUFL-WSDLNYQXSA-N	373.416	3.095	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1	23642441	KGQYIWWZPNOFPZ-UHFFFAOYSA-N	369.852	3.048	30	40	FGEB	
C[C@H](c1nc(C(C)(C)C)no1)N1CCN(Cc2ccc(C#N)cc2)CC1	23903888	OUXHUHSJTVSJSG-OAHLLOKOSA-N	353.470	3.118	30	40	FGEB	
C=C(C)CSc1nnc(S[C@H](C)C(=O)NC(=O)NC(C)(C)C)s1	7256399	KKCVNCUCYGBPQM-SECBINFHSA-N	374.557	3.311	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408798424	FAJTVACRLGNDOI-QGOAFFKASA-N	362.385	3.226	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)cc1	83146694	PGLNNOBBESCBQX-IAGOWNOFSA-N	356.403	3.016	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CNc1c(F)cc(F)cc1Br	96006465	ZMMGIJIFSSHPGR-AWEZNQCLSA-N	360.202	3.194	30	40	FGEB	
C[C@@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1	31432519	CXZFVPRODOIVQO-BZUAXINKSA-N	364.449	3.058	30	40	FGEB	
CCN(C(C)=O)c1nc(/C=C2/CCc3oc(C(=O)O)c(C)c3C2=O)cs1	41574976	IPGBJOVVDXCHND-XFFZJAGNSA-N	374.418	3.328	30	40	FGEB	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)[C@H]1C[C@H]2CC[C@H]1C2	103373078	RCUGBORJCURMEI-STEAMIEHSA-N	352.482	3.111	30	40	FGEB	
O/C(CN1CCC(O)CC1)=N\c1nc(-c2ccc(F)c(F)c2)cs1	27536795	DPCXFLQHCQFOKD-UHFFFAOYSA-N	353.394	3.133	30	40	FGEB	
CC(C)CCNC(=O)C(=Cc1ccc(C#N)cc1)C(=O)NCCC(C)C	3242997	HEGNSWOYXVEIDJ-UHFFFAOYSA-N	355.482	3.266	30	40	FGEB	
O=S(=O)(N/N=C/c1ccccc1Cl)c1ccc(Br)cc1	6335717	GIZKVGHMRLQNQJ-CXUHLZMHSA-N	373.659	3.415	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2	4412219	VQQIHKMJLORKDS-MRXNPFEDSA-N	355.467	3.088	30	40	FGEB	
Cc1ccc(NC(=O)C[C@@H]2S/C(=N\CC(C)C)NC2=O)cc1Cl	6671776	GGDNXEGNBPVAAT-ZDUSSCGKSA-N	353.875	3.221	30	40	FGEB	
COc1cc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc(OC)c1OC	5825092	OXJSGEVPNIDOJO-APSNUPSMSA-N	370.357	3.254	30	40	FGEB	biogenic
N#Cc1ccc([N+](=O)[O-])cc1NC1CCN(CC2(O)CCCCC2)CC1	89773165	AWQLUXPJUZEOLE-UHFFFAOYSA-N	358.442	3.038	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1	409178133	FBRSQOBKGGVHER-UHFFFAOYSA-N	374.352	3.426	30	40	FGEB	
Cc1nc(C#C[Si](C)(C)C(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1	2362797564	HUBQCBDFAZMDBC-UHFFFAOYSA-N	358.367	3.483	30	40	FGEB	
O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(Cl)cc1	75165064	WNQSQIHIODAHHD-UHFFFAOYSA-N	367.880	3.201	30	40	FGEB	
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)ccc1O	44891144	DNOYAIGBCXARMU-SFHVURJKSA-N	364.405	3.127	30	40	FGEB	
CN1CCN(CC#C[C@]2(C)CC[C@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1	20111518	SVAGWPUEXZOYPV-IEIRFRATSA-N	368.521	3.335	30	40	FGEB	biogenic
COc1ccc(CN(C=O)/C=C2\Sc3ccccc3C2=O)cc1OC	32120408	BZCKMEVDISHKAU-WQRHYEAKSA-N	355.415	3.492	30	40	FGEB	
CC(=O)Oc1ccc(OC(C)=O)c2cc3c(cc12)C(=O)C(C)=C(C)C3=O	1583527	ZDPXPZQVJXWSFW-UHFFFAOYSA-N	352.342	3.406	30	40	FGEB	
CCCCc1c(OC(=O)N(C)C)c(C#N)c2n(C)c3ccccc3n2c1=O	1610103	BYJSFAAKKWFOAD-UHFFFAOYSA-N	366.421	3.066	30	40	FGEB	
Cc1nc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)sc1SCC#N	53650589	FOQDJQSRANPTDU-NSHDSACASA-N	374.491	3.214	30	40	FGEB	
COc1ccc(CCNc2oc(-c3cccnc3)nc2C#N)cc1OC	35672290	LMZMNZCRMAGYDA-UHFFFAOYSA-N	350.378	3.280	30	40	FGEB	
N#C[C@H](C(=O)CSc1cccc[n+]1[O-])c1nc(-c2ccccc2)cs1	58369671	PTKZFRJWYQFZCI-CQSZACIVSA-N	367.455	3.412	30	40	FGEB	
Cc1cccc(OCC(=O)O/N=C(\N)c2ccc(Br)cc2)c1	4170135	FINUMBCQWPLDBV-UHFFFAOYSA-N	363.211	3.000	30	40	FGEB	
CNc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	6247606	SRGXUNLMEYLYNE-YCRREMRBSA-N	367.405	3.369	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccnc1	8471618	GARGVAZNFZKRCO-HOCLYGCPSA-N	371.510	3.313	30	40	FGEB	
COc1cc(Br)c(/C=C2/Oc3cc(O)ccc3C2=O)cc1O	96920997	MZGIYDNDVVDMMC-PJQLUOCWSA-N	363.163	3.485	30	40	FGEB	
COc1ccc(/C=C2/CS(=O)(=O)c3c(F)cccc3C2=O)cc1F	96925161	WVXHKZCZPWZMAW-XFFZJAGNSA-N	350.342	3.027	30	40	FGEB	
C/C(=N\OCc1nsc(N(C)C)n1)c1nc2ccccc2n1C(F)F	98059507	STFJWSBVLSURMJ-AWQFTUOYSA-N	366.397	3.290	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1	408741078	NTDJXFSIRIEJOR-FVOVHSBVSA-N	357.822	3.106	30	40	FGEB	
C=C(C)CSc1nnc(Cn2cnc3sc4c(c3c2=O)CCCC4)o1	32095612	JZTACNQSGWTCIS-UHFFFAOYSA-N	374.491	3.436	30	40	FGEB	
N#Cc1c(NC(=O)Cn2c(=O)sc3ccccc32)sc2c1CCC2	95482154	MMTVDJVGAXKMPY-UHFFFAOYSA-N	355.444	3.124	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2	585106841	JMADNOGYYNLJBV-NRFANRHFSA-N	360.417	3.213	30	40	FGEB	
COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1O[C@@H](C)C(=O)O	5559452	BTCZPPVSSQEAHE-NSHDSACASA-N	352.342	3.010	30	40	FGEB	
CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1	5923823	ZJYLZTGTADHXNG-CQSZACIVSA-N	368.462	3.232	30	40	FGEB	
CCc1n[nH]c(=S)n1/N=C/c1cc(OC)c(OC)cc1Br	8182901	HEOQFCDUQUPZFO-VIZOYTHASA-N	371.260	3.165	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1ccc(Cl)cc1	40286737	GNMGLJLYYMHPFS-MRXNPFEDSA-N	370.840	3.294	30	40	FGEB	
N#Cc1c(N)nc(N2CCCCC2)c(C#N)c1[C@@H](C#N)Cc1ccccc1	20268303	NIVVOMTWOIDRAW-MRXNPFEDSA-N	356.433	3.247	30	40	FGEB	
CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1	4701622	SEINSAZTXVKLES-CKOFDZGGSA-N	369.373	3.333	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2nsc3ccccc23)CC1	8703034	BVSARXRCDQQLCV-UHFFFAOYSA-N	365.418	3.403	30	40	FGEB	
N#Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl	57364011	YYKFNYFANMIYSS-UHFFFAOYSA-N	372.831	3.111	30	40	FGEB	
CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)cc1	48280099	IGWNZOLQTXUXAE-FQEVSTJZSA-N	363.465	3.472	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1	58393550	KNYYTTOHHNGDCV-JXMROGBWSA-N	363.436	3.491	30	40	FGEB	
COc1ccc(CC(=O)Nc2sc(C)c(C)c2C#N)c(OC)c1OC	12821596	BDNHZGKZTSSKET-UHFFFAOYSA-N	360.435	3.444	30	40	FGEB	
O=C(/C=N/OCc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1F	65474562	SFYNUYQCIPMXQM-AWQFTUOYSA-N	358.304	3.156	30	40	FGEB	
COc1cc(/C=N/n2c(C)nnc2C)ccc1OC(=O)c1ccc(F)cc1	6687173	FWGXHDKRUPUIHX-SRZZPIQSSA-N	368.368	3.144	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3ccc(F)cc3)C[C@@H]2c2nccs2)C1=O	306135319	ONMYQPDHZVGKMW-XLIONFOSSA-N	371.481	3.286	30	40	FGEB	
C[C@](C#N)(NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12)C1CC1	8429143	WGIOMQMNRLKLSK-MRXNPFEDSA-N	365.220	3.124	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1	583910209	IRZZYLMMULHENA-ZVZYQTTQSA-N	363.889	3.199	30	40	FGEB	
O=C1C=CC([C@H](c2ccc(O)cc2)c2ccccc2S(=O)(=O)O)C=C1	19419134	JHVBDZYHVNITCF-LJQANCHMSA-N	356.399	3.082	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)N(Cc3cccs3)C3CC3)CC2)nc1	23196667	BNJVRICGXYUOGM-UHFFFAOYSA-N	366.490	3.422	30	40	FGEB	
N#Cc1cc(F)c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(F)c1	58440383	CMDZRWQLGLVZTO-UHFFFAOYSA-N	359.351	3.374	30	40	FGEB	
COc1ccc2oc(C(=O)OCC(=O)Nc3sccc3C#N)c(C)c2c1	3364140	VSDUAPGMANCHKV-UHFFFAOYSA-N	370.386	3.479	30	40	FGEB	
CCOc1cc(/C=N/N=C(/S)NCc2ccccc2)cc([N+](=O)[O-])c1O	11903725	PBWNFINZECRZHJ-YBFXNURJSA-N	374.422	3.109	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1	12893890	BACMRLWQQBENQN-JXOMPUQVSA-N	359.429	3.449	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(O)c3)S2)cc1	5529737	LPLGARBWOKZZFE-YBEGLDIGSA-N	356.403	3.301	30	40	FGEB	
COc1cccc(NS(=O)(=O)/N=C(\O)c2c(C)[nH]c3ccccc23)c1	6754834	SHYKEQGVOJTEAV-UHFFFAOYSA-N	359.407	3.146	30	40	FGEB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C#N)[C@@H]3C2=O)c1	16007045	ZVGKWEKTPTUDPT-IVAOSVALSA-N	369.424	3.342	30	40	FGEB	
Cc1ccc(C(=O)O/N=C(\Nc2cc(C)ccc2C)c2nonc2N)cc1	8574770	SJDRGNOIWBRYIU-UHFFFAOYSA-N	365.393	3.208	30	40	FGEB	
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	30320100	ZQHUNRWIIPMBKE-UHFFFAOYSA-N	361.463	3.389	30	40	FGEB	
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	224904825	BBGUEXGRQDFXLY-UHFFFAOYSA-N	374.462	3.425	30	40	FGEB	
C[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1	330253895	OXPGHAOFEKFBML-CZUORRHYSA-N	353.447	3.008	30	40	FGEB	
CC(=O)c1cc(C#N)c(S[C@H](C)c2nnnn2-c2ccccc2)nc1C	40089667	SWJXKVFJESCMTJ-CYBMUJFWSA-N	364.434	3.293	30	40	FGEB	
N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2n1	40150587	ZCAOODDUKPAJBS-RTBURBONSA-N	369.424	3.460	30	40	FGEB	
C/N=c1/scc(-c2ccco2)n1/N=C/c1ccc(OC)c(OC)c1OC	103460467	KLAXRWFOSNQYBX-KFAUUUOZSA-N	373.434	3.248	30	40	FGEB	
N#Cc1ccc(-c2ccc(OC[C@H](O)Cn3nnc4ccccc43)cc2)cc1	2206659	YCYFLHCSXRDZFY-LJQANCHMSA-N	370.412	3.410	30	40	FGEB	
CCOC(=O)/C(=N/Nc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21	5158086	RJTIWYLQUIUOJA-UZYVYHOESA-N	368.393	3.336	30	40	FGEB	
CN(C(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1)C1(C#N)CCC1	66321889	FVGXKZLYUBIPIO-CQSZACIVSA-N	354.479	3.417	30	40	FGEB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O	7985663	ULRRKTFIVYCNSN-CYBMUJFWSA-N	369.808	3.212	30	40	FGEB	
CC(C)Cc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1CCCC2	32104436	UWTIQHCHFRJKMG-UHFFFAOYSA-N	367.449	3.319	30	40	FGEB	
N#Cc1ccc(OC2CCN(C(=O)NCCCc3ccccc3)CC2)nc1	85557044	NAEUIEBFTWLGEI-UHFFFAOYSA-N	364.449	3.139	30	40	FGEB	
Cc1sc2ncnc(N/N=C/c3ccccc3OCC(=O)O)c2c1C	5295086	ROAHIHOAEMMJSD-IFRROFPPSA-N	356.407	3.218	30	40	FGEB	
CCN1CCN(c2ccc(Nc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1	18055721	USFCHFBYVJABJX-UHFFFAOYSA-N	351.410	3.352	30	40	FGEB	
C[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O	100895836	YIIRFWXDYNUXOM-DUUUWJQVSA-N	370.471	3.167	30	40	FGEB	
CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1(C#N)CCCCC1	57476714	YFTIQCNSJIWYES-UHFFFAOYSA-N	374.916	3.147	30	40	FGEB	
COc1cc(C#N)cc(Cl)c1OCCCS(=O)(=O)c1ccccc1	58193384	UOMAAABALIDBNP-UHFFFAOYSA-N	365.838	3.463	30	40	FGEB	
COc1cccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)c1OC	2277261	CFGBXHUICXICQZ-UHFFFAOYSA-N	359.389	3.104	30	40	FGEB	
Cn1c(CO)nc2cc(/N=C/c3cc(Br)ccc3O)ccc21	2222049	ZKKFQBSOPXDXRU-QGMBQPNBSA-N	360.211	3.284	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(OC)c1O	6247757	HTRKIDGEPIWYFO-FPYGCLRLSA-N	369.417	3.142	30	40	FGEB	
N#Cc1nc(C2CC2)oc1N1CCN(CCc2ccccc2Cl)CC1	65495371	QZWMPMCJPILVTL-UHFFFAOYSA-N	356.857	3.442	30	40	FGEB	
NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95686649	SMJYTRJJHRJAED-UHFFFAOYSA-N	363.073	3.211	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2C2CCCCC2)cc1	4537414	FKLRTWVOVHTCKU-OYLHUBKDSA-N	366.508	3.336	30	40	FGEB	
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc(C)c1C	5145131	XMUWGVDJVUXUGP-UHFFFAOYSA-N	371.418	3.375	30	40	FGEB	
C#CCn1/c(=N/C(=O)COc2ccccc2)sc2cc(OCC)ccc21	100875925	MLLGGXYILFIQDV-MRCUWXFGSA-N	366.442	3.241	30	40	FGEB	
N#CC1(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1	21499903	GBBYBEJBTJINGH-UHFFFAOYSA-N	356.353	3.195	30	40	FGEB	
O=C(COc1ccc(Br)cc1F)NCC#Cc1ccccc1	22416863	ZAYWYAWIDADPCW-UHFFFAOYSA-N	362.198	3.135	30	40	FGEB	
Cc1ccc2nc(C3=C(N)N(c4ccc(Cl)cc4F)CC3=O)[nH]c2c1	5182864	DHROUYIZGCMPIB-UHFFFAOYSA-N	356.788	3.380	30	40	FGEB	
COc1cc2cc[n+]([C@H](C)C(=O)Nc3ccc(C#N)cc3)cc2cc1OC	7814463	ZOTCMIUUMJOSDH-CQSZACIVSA-O	362.409	3.216	30	40	FGEB	
CCCn1c(N)c2c(=O)n(CCC)c(-c3ccccc3)cc2c(C#N)c1=O	68754881	AGKDXHJYNHWPJU-UHFFFAOYSA-N	362.433	3.104	30	40	FGEB	
N#CCOc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O	409356690	HDMVANTXJIFCHK-UHFFFAOYSA-N	370.368	3.040	30	40	FGEB	
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC	223192654	SIRCRQAKKXYMIA-HXUWFJFHSA-N	368.452	3.478	30	40	FGEB	
C#CCN1CCC[C@@](C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	19529975	MBPCREBAYFPQCK-KNQAVFIVSA-N	368.477	3.157	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O	5543044	FFRFJIZJLZXEJX-YPCIICBESA-N	354.358	3.067	30	40	FGEB	endogenous,in-man
CN(C)c1cc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	4454596	HDWCVVQXUFELFN-UHFFFAOYSA-O	358.771	3.351	30	40	FGEB	
C=CCN(C(=O)c1cnn(-c2ccccc2)n1)c1nc2c(s1)CCCC2	23224258	VNJFAFIGGIVTEZ-UHFFFAOYSA-N	365.462	3.435	30	40	FGEB	
N#Cc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1	10165678	AZIANYIIJPSMSH-UHFFFAOYSA-N	353.853	3.493	30	40	FGEB	
C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	56207186	XAIOAQYPYHCPNR-GJZGRUSLSA-N	369.440	3.419	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)C(=O)NCCCCCCCC	408709844	XYCRTIHBVIMPMR-UHFFFAOYSA-N	359.470	3.018	30	40	FGEB	
COC1=C(Oc2ccccc2)C(=O)C(OC)=C(Oc2ccccc2)C1=O	255188980	MXEPIAKEGAAZMJ-UHFFFAOYSA-N	352.342	3.012	30	40	FGEB	
Cc1ccc(NC(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1C	90730942	NOMUBEUELJHURR-UHFFFAOYSA-N	352.390	3.236	30	40	FGEB	
Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(OCC(=O)O)cc1	6288063	RGLFBABJFAOWNJ-VXLYETTFSA-N	357.435	3.087	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)[C@@H]1c1ccc(Cl)cc1	18061515	XZWKQFUHPAMTMW-MRXNPFEDSA-N	365.813	3.269	30	40	FGEB	
C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCC1	44085683	YCUKIHXUMKZTFR-UHFFFAOYSA-N	357.479	3.459	30	40	FGEB	
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccccc3)nc2C#N)CC1	12418219	VBCKVGJHJRIPPA-UHFFFAOYSA-N	372.428	3.484	30	40	FGEB	
N#Cc1ccc(NC(=O)c2cn(-c3cccc(Br)c3)nn2)cc1	31873619	ZLKQANZMVKGSCL-UHFFFAOYSA-N	368.194	3.154	30	40	FGEB	
CCCn1c(=O)n(CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc21	21758581	HZRCZBOKLUZSMT-UHFFFAOYSA-N	368.462	3.402	30	40	FGEB	
COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1	853629	WHJINDRHEQRLMS-UHFFFAOYSA-N	355.419	3.088	30	40	FGEB	
CCN(CC)c1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1	10339482	YLLFAILNWWSGEE-ORAYPTAESA-N	351.454	3.392	30	40	FGEB	
COc1cccc(C(=O)NC2=C/C(=N/N(C)c3ccccc3)C(=N)C=C2)c1	55345884	AHHIYDHYDFAEQK-DLDPBSRPSA-N	360.417	3.391	30	40	FGEB	
CCCCc1nc(C)c(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)s1	48609208	QOGNETZYVAUVOM-UHFFFAOYSA-N	363.464	3.359	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1	14240817	GFRJVOAEKUZXFV-UHFFFAOYSA-N	362.458	3.126	30	40	FGEB	
N#Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)sc2c1CCCC2	4713436	OXCKNFQSMRFNQL-UHFFFAOYSA-N	371.374	3.357	30	40	FGEB	
CCc1nc([C@H](C#N)C(=O)c2cccc(N3CCNC3=O)c2)sc1C	75123359	XGUGIEOMGHOANS-CQSZACIVSA-N	354.435	3.034	30	40	FGEB	
Fc1cnc(N/N=C\c2ccc(Cl)c(Cl)c2)nc1N1CCOCC1	408730330	PSOGCPGPLKLMBE-ZBKNUEDVSA-N	370.215	3.205	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1	224303272	VISIZGHHGADOSY-UHFFFAOYSA-N	358.463	3.044	30	40	FGEB	
O=[N+]([O-])c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1N1CCCCC1	254739012	RBRYZPCRTDMVGN-UHFFFAOYSA-N	366.381	3.319	30	40	FGEB	
C[C@@H]1CCCCN1S(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N	1775975196	FWBVUUOEDJDJOZ-LLVKDONJSA-N	365.842	3.430	30	40	FGEB	
C=CCN1C(=O)NC(=O)/C(=C\c2cn([C@@H](C)CC)c3ccccc23)C1=O	16611296	VORHNVGRCQJGGD-XDUBLRSXSA-N	351.406	3.260	30	40	FGEB	
COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1	85409104	KAKLIISZFLQTCQ-MRXNPFEDSA-N	360.373	3.118	30	40	FGEB	
CCCCn1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1C#N	101113601	MXTOPKBEEXTJDX-HKOYGPOVSA-N	361.405	3.134	30	40	FGEB	
C=CCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21	32916161	MHKZYAHMFCWKLH-SFHVURJKSA-N	353.466	3.374	30	40	FGEB	
COc1cc2c(cc1OC)/C(=C/C(=O)COc1ccc(C)c(C)c1)NCC2	5389173	MARCVADYEGXGSC-JAIQZWGSSA-N	367.445	3.455	30	40	FGEB	
CC[C@@H](O/N=C(\C)c1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1	14397977	FPHRZNMPIYWFCT-SVZNOHIVSA-N	358.398	3.099	30	40	FGEB	
O=[N+]([O-])c1cccnc1N/N=C/c1ccc(I)cc1	4675312	CFPJKFPIEMUNBM-OVCLIPMQSA-N	368.134	3.040	30	40	FGEB	
C/C(Cc1ccccc1)=N/NS(=O)(=O)c1ccc(Br)cc1	16932872	QVECRLUJWGERGV-ATVHPVEESA-N	367.268	3.346	30	40	FGEB	
Brc1cc(/C=N\OCc2ccccc2)oc1N1CCOCC1	408843309	FJOWFKVPNQOMGO-WQRHYEAKSA-N	365.227	3.429	30	40	FGEB	
C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1	56207187	XAIOAQYPYHCPNR-CABCVRRESA-N	369.440	3.419	30	40	FGEB	
CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O	5911909	YSXRUPUXYPWUNR-IUXPMGMMSA-N	353.330	3.092	30	40	FGEB	biogenic
COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1OC	12347792	AEGAHQASKDMHGV-AWEZNQCLSA-N	369.421	3.333	30	40	FGEB	
COc1cccc(C(=O)/N=C2\SCCN2C(=O)c2cccc(OC)c2)c1	4554787	KDUGLVSYJJMHAW-VXPUYCOJSA-N	370.430	3.089	30	40	FGEB	
C=CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1	33432284	VKTLTMMZTQGEEL-UQROUUEPSA-N	358.463	3.331	30	40	FGEB	
C[C@@H](C(=O)Nc1sccc1C#N)N1CCN(c2cccc(Cl)c2)CC1	57355233	CDHWMXWKUCQAQY-ZDUSSCGKSA-N	374.897	3.422	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccnc1Cl	3263091	MAWLDAQMXMFBIQ-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
C=CCNc1nnc(S[C@@H](CCC)C(=O)Nc2cc(C)on2)s1	10214033	ALFKHSHPDRLNGP-JTQLQIEISA-N	353.473	3.332	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21	112265001	LRRKHDQFQNOZJZ-FKYDJDFASA-N	359.429	3.358	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1	12907864	HUPQPYSEWHTPNJ-HNNXBMFYSA-N	352.500	3.096	30	40	FGEB	
COC(=O)C1=C(O)C2=C(CC(C)(C)CC2=O)N2CCc3ccccc3[C@H]12	4029321	IMOWSQBUFZINFR-GOSISDBHSA-N	353.418	3.228	30	40	FGEB	biogenic
NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O	5150385	HWXOXYJPCCQVRG-WCSRMQSCSA-N	364.184	3.474	30	40	FGEB	
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1	65647967	KTXAHWMHSMZXBW-JHJVBQTASA-N	353.765	3.149	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2ccccc12	8190477	ZKOZPMLLRYLRPJ-UHFFFAOYSA-N	365.374	3.140	30	40	FGEB	
CN1C(=O)/C(=C/c2ccc(N(C)C)o2)S/C1=N/c1ccc(C(=O)O)cc1	408796984	ZRZGFVPDXIEKDJ-YUYVXPFWSA-N	371.418	3.278	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218489987	GLBVMFYOFSNHPH-KSZLIROESA-N	359.834	3.297	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(nc[nH]c1=O)O2	226760688	DHYADWUDHWARAR-ZDUSSCGKSA-N	373.206	3.064	30	40	FGEB	
COC(=O)c1cccc(CSc2nc(N)c(C#N)c(C(F)(F)F)n2)c1	225894688	MBPLKQXQGZRRQT-UHFFFAOYSA-N	368.340	3.028	30	40	FGEB	
N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1	331712307	CYJBKWKWJHQZSY-RISCZKNCSA-N	374.242	3.449	30	40	FGEB	
CCCCN(CC)Cc1cccc(CNS(=O)(=O)CCCC#N)c1	79092320	XPRFFBWSBNXLGG-UHFFFAOYSA-N	351.516	3.032	30	40	FGEB	
CO[C@@H](C)C/C=N/Nc1nnc(N/N=C\C[C@@H](C)OC)c2ccccc12	17418191	BRCPZVOBLPHGKE-YBQQKLBXSA-N	358.446	3.275	30	40	FGEB	
CN1C(=O)[C@H](CC(=O)NCC2CCCCC2)S/C1=N\c1ccccc1	17858950	HORRHAYTGMQHEF-XOMICKMZSA-N	359.495	3.335	30	40	FGEB	
CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N(C)CCO)n1	19820409	JWDUYLUHNBBHMU-UHFFFAOYSA-N	356.495	3.463	30	40	FGEB	
N#Cc1cc(C(=O)C(F)(F)F)c(-c2cccs2)nc1SCC(N)=O	3180332	XRXBGUNNOLAAIQ-UHFFFAOYSA-N	371.365	3.004	30	40	FGEB	
CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1	104164075	PKICAMLCEFIGEZ-AWEZNQCLSA-N	357.369	3.419	30	40	FGEB	
Cc1ccccc1-n1cnnc1SCC(=O)Nc1sccc1C#N	7981658	WIPPLRQCXAFQJQ-UHFFFAOYSA-N	355.448	3.240	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CN2CCCCC2)cs1	13016401	HYYCMBCANOJZAF-AWEZNQCLSA-N	370.478	3.407	30	40	FGEB	
C=CCN(CC=C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1	5494982	DAHKHVMRDLIZEK-UHFFFAOYSA-N	374.437	3.441	30	40	FGEB	
C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)cs1	8036323	NOHFZWHGFCWZGX-UHFFFAOYSA-N	372.402	3.213	30	40	FGEB	
CN(C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccccc1Cl	8262293	IQKQKYJFQILNFF-SFHVURJKSA-N	357.841	3.010	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O	409048635	TYFVKRQVARDGGH-RIYZIHGNSA-N	351.811	3.417	30	40	FGEB	
CN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br	33690115	NNMXNVMTJAHVIS-IUXPMGMMSA-N	364.203	3.264	30	40	FGEB	
N#Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3	35312127	FLQHTWLZJJUJGI-UHFFFAOYSA-N	369.446	3.376	30	40	FGEB	
N#Cc1ccc(C2(NC(=O)Nc3ccc(C4CC4)nn3)CCOCC2)cc1	529022564	TTWQXSYCJAAXLR-UHFFFAOYSA-N	363.421	3.053	30	40	FGEB	
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225012509	NIGHDSYPAAGAIC-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2ccc(SC)cc2)s1	225348503	GSMRJZJYJWFMCE-UHFFFAOYSA-N	359.523	3.339	30	40	FGEB	
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#Cc2ccccc2)c1	24835398	PGGHFIGBGLAGOE-MRXNPFEDSA-N	358.397	3.436	30	40	FGEB	
N#CC1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCN(Cc2ccccc2)CC1	611498663	NRDXXRBBVRTTFF-SLFFLAALSA-N	351.494	3.487	30	40	FGEB	
N#C[C@@H](C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccc(Cl)cc1	16429799	MEFBNINDRNDRNP-AWEZNQCLSA-N	359.723	3.084	30	40	FGEB	
CCOc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1	4119690	VQUXJGJCQHCAOQ-CFRMROPGSA-N	356.344	3.133	30	40	FGEB	
Cc1cccc(N2N=C(C(=O)Nc3ccc(OCC#N)cc3)CCC2=O)c1	18828301	LJAJVJYMTMNCHV-UHFFFAOYSA-N	362.389	3.019	30	40	FGEB	
O=C1C2=C(Nc3[nH]nc(O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21	18196150	ZZGKUURDVCREIA-CYBMUJFWSA-N	360.329	3.189	30	40	FGEB	
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccnc1)c1ccco1	796023	POGSBIMVYXWKSS-LJQANCHMSA-N	374.396	3.496	30	40	FGEB	
CN1C(=O)[C@H](CC(=O)NCc2ccccc2)S/C1=N\c1ccc(F)cc1	12417000	PUAQLNBOGVBFJE-VFOOBRQFSA-N	371.437	3.094	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CSc2nnnn2Cc2cccs2)c1C	8075626	GHTLCGZDTZRBBN-UHFFFAOYSA-N	373.507	3.362	30	40	FGEB	
COc1cc(C)ccc1Oc1ccc(/N=C(\O)c2cccc[n+]2[O-])cn1	58131647	AWRBNOSJXSPBPL-UHFFFAOYSA-N	351.362	3.461	30	40	FGEB	
CCC[C@@H]1CCCN(C(=O)NCCCCCc2[nH]nc(N)c2C#N)CC1	58195413	CRZKFNUPAAVBJP-OAHLLOKOSA-N	360.506	3.188	30	40	FGEB	
C[C@@H]1C[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCN1C	76040378	YGDQETPBGAIQBO-CABCVRRESA-N	374.554	3.242	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O	222488562	FFRJRVSCSJRNDF-ZCYLZXHKSA-N	370.836	3.126	30	40	FGEB	
Cc1cccn2c(=O)c(/C=N/N)c(Sc3nc4ccccc4s3)nc12	96361322	JEUCYPZDVFXUJV-DJKKODMXSA-N	367.459	3.056	30	40	FGEB	
COc1cc(C(=O)/C=C/c2cccc(OC)c2OC)ccc1OCC(=O)O	13350481	ORQPDTHOPNZBKB-VQHVLOKHSA-N	372.373	3.072	30	40	FGEB	
COc1cc(/C=N/NC2=NC(=O)CS2)ccc1OCc1ccc(C)cc1	20034872	LOXVLBHDYIBZRY-KEBDBYFISA-N	369.446	3.136	30	40	FGEB	
C=CCN(Cc1nc2ccccc2nc1C)S(=O)(=O)c1cccs1	32957890	OYSUWLGNYRZZEN-UHFFFAOYSA-N	359.476	3.377	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1	4797362	NNGBVDMCFAWBHN-ANZHJZINSA-N	363.461	3.064	30	40	FGEB	
C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	102683496	UANKCHLKDFLWDX-JYJNAYRXSA-N	363.465	3.021	30	40	FGEB	
Cc1ccccc1NCCC(=O)N1CCCN(c2ccccc2C#N)CC1	58274998	FMQWXHQLMPPAEH-UHFFFAOYSA-N	362.477	3.408	30	40	FGEB	
C/C(=N\OCc1ccc(C(N)=O)cc1)c1nc2ccccc2n1C(F)F	22188305	USNAUBQENNYPJS-FOKLQQMPSA-N	358.348	3.471	30	40	FGEB	
C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O	4364125	SWCBACLKPDKJKU-RVDMUPIBSA-N	354.387	3.398	30	40	FGEB	
C=CCNc1nnc(SCC(=O)N2N=CC[C@H]2c2ccccc2)s1	4945103	LKNBVDBKDYEMFW-ZDUSSCGKSA-N	359.480	3.188	30	40	FGEB	
COc1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc(C#N)cc2)cc1	8392583	ZQLLRMVXWSDCAQ-UHFFFAOYSA-N	356.447	3.061	30	40	FGEB	
N#Cc1cc(Br)cnc1N1CCN(c2ccc(F)cc2)CC1	319237168	WPSPMZISQWLSMM-UHFFFAOYSA-N	361.218	3.181	30	40	FGEB	
Cc1cc(C)cc(NC(=O)C[C@@H]2S/C(=N\N=C3CCCC3)NC2=O)c1	5442373	NREOKTWUIYVQHZ-HNNXBMFYSA-N	358.467	3.150	30	40	FGEB	
CCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCOCC1	31120782	IEZSCZZDGGSWJN-UZLBHIALSA-N	372.513	3.055	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1	667478	RTXNHCBWVATSOB-DEDYPNTBSA-N	368.462	3.110	30	40	FGEB	
COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1	12347529	SFJOPNNFDXVKFH-OAHLLOKOSA-N	369.421	3.333	30	40	FGEB	
C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCC=C)[nH]c(=O)c32)cc1	4944410	GKJLBJUBJFPSTG-AWEZNQCLSA-N	369.446	3.087	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3cc(C)ccc3C)C(=O)NC2=S)cc1	408766659	WKKWNQSCBGVKFY-BTZNOAQDSA-N	365.458	3.378	30	40	FGEB	
CCc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O	6419355	KWRQMGNGBVOLKW-INIZCTEOSA-N	353.447	3.497	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2	18219458	QFRKOZJMXSAPON-HNNXBMFYSA-N	356.451	3.364	30	40	FGEB	
Cc1oc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C#N)c1C	408586869	CTACEOQAKHYOOB-RGVLZGJSSA-N	354.366	3.264	30	40	FGEB	
COc1ccccc1NC(=O)Cn1c(C#N)cc(N)c1Cc1ccc(C)cc1	225860985	TZWNBZHSJHYZPI-UHFFFAOYSA-N	374.444	3.489	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(C)c2C)s1	224532665	XEEZGUCXDQMWKF-UHFFFAOYSA-N	371.509	3.242	30	40	FGEB	
COc1ccc(/C(C)=N/N2CCN(Cc3ccccc3)CC2)cc1OC	19879221	VTEDSZHAUJBTBA-OQKWZONESA-N	353.466	3.246	30	40	FGEB	
C=CCN(c1ccc(C(=O)Nc2cccc(OCC)c2)cc1)S(C)(=O)=O	10294733	HLRFONARYFCWNM-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
Cc1nc(C)c([C@H](C)NC(=O)NCCNc2cccc(F)c2C#N)s1	57282919	RWMKJOWMWSEZOF-NSHDSACASA-N	361.446	3.243	30	40	FGEB	
Cn1nccc1C(=O)/C=C/c1cc2cc3c(cc2nc1Cl)OCCO3	58420660	MWPHJZHJTNHQBH-NSCUHMNNSA-N	355.781	3.289	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2Cl)c(=O)c1C#N	4997883	TZBDKNSJUOYYHW-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
N#CCOc1ccccc1/C=C1\S[C](Nc2ccccc2F)NC1=O	408814152	NYKZDJDOBIAINK-UHFFFAOYSA-N	354.386	3.491	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3C)C(=O)NC2=S)cc1	408761539	FSQNUTXETPVSQN-BBJIBYMTSA-N	351.431	3.070	30	40	FGEB	
O=c1c(Cl)c(N/N=C/c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1	5776098	WLDHLURAAFIUGU-VXLYETTFSA-N	369.768	3.240	30	40	FGEB	
Cc1ccc(OC/C(N)=N/OC(=O)c2cc(Cl)cnc2Cl)cc1	4280874	KNBKCLHUGLZRAF-UHFFFAOYSA-N	354.193	3.205	30	40	FGEB	
CCOC(=O)CC(C)(C)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3897385	FQFQZJLOWSMDPD-MHWRWJLKSA-N	352.347	3.270	30	40	FGEB	
N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCOCC1	12418834	NPTCICIUULEIOE-UHFFFAOYSA-N	351.362	3.222	30	40	FGEB	
O=C(O)/C=C/C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1	756514	CMZACEALZURUGE-VAWYXSNFSA-N	370.202	3.428	30	40	FGEB	
COc1cc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)cc(OC)c1O	6842119	UOYMPNLJCIRAPF-GRSHGNNSSA-N	370.434	3.147	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(F)c1)N1CCCN(c2ccccc2C#N)CC1	52801198	PPAJLUPKDQXHIY-INIZCTEOSA-N	366.440	3.237	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccs1	5799859	LBCSFZRBWBXZHZ-HVESIFNPSA-N	370.474	3.122	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(F)cc1	102805492	IYTGFLBZVUPHPG-HVESIFNPSA-N	373.380	3.185	30	40	FGEB	
C=C(C)CN(CC)CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O	26552220	FGUDTJPZDPZROL-UHFFFAOYSA-N	355.482	3.490	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1O	49550654	ZSEVQIZOVXPPRE-GOSISDBHSA-N	364.405	3.127	30	40	FGEB	
COc1ccc(C(=O)C[n+]2ccc3c(c2)nc(Cc2ccccc2)n3C)cc1	13687361	MJBJKPNPIQHCBY-UHFFFAOYSA-N	372.448	3.343	30	40	FGEB	
Cc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	408744308	ZKLXPWLIPSYORF-ANKPHQHTSA-N	371.849	3.415	30	40	FGEB	
C=CCNC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCC2	71195090	YKZQBYPXBAVEIN-UHFFFAOYSA-N	359.451	3.400	30	40	FGEB	
Cc1cc(NCC(C)(C)N2CCOCC2)n2c(nc3ccccc32)c1C#N	23043296	AGUHETGWDPDADC-UHFFFAOYSA-N	363.465	3.190	30	40	FGEB	
Cc1cc(NCCN2C[C@H](C)O[C@@H](C)C2)n2c(nc3ccccc32)c1C#N	12558893	ZBNIPVCCCAVTQI-HOTGVXAUSA-N	363.465	3.189	30	40	FGEB	
CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1	2302496	WITMKAFPMXVFNQ-HNNXBMFYSA-N	351.454	3.144	30	40	FGEB	
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1O	19285967	DCIUDRDGHINCCG-IBGZPJMESA-N	371.433	3.320	30	40	FGEB	
N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1	331712306	CYJBKWKWJHQZSY-FZMZJTMJSA-N	374.242	3.449	30	40	FGEB	
C=CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1cccs1	96124609	KEUHGDZNFAIYII-UHFFFAOYSA-N	371.462	3.190	30	40	FGEB	
Cc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1	19332612	AKQQYSYKXAIBQH-RDTXWAMCSA-N	352.486	3.223	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cccc(OC)c21	100909898	XXHMIFJQXPUKBT-VXPUYCOJSA-N	352.415	3.094	30	40	FGEB	
CC[C@@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	1355219	MVLLXZCCHNUTHM-LLVKDONJSA-N	359.451	3.130	30	40	FGEB	
C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1	6370802	MCKRARWQIJFRPB-AWEZNQCLSA-N	362.389	3.055	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C/C3=CC[C@H]4C[C@@H]3C4(C)C)C2=O)cc1	20935247	WLTAYVJOTRVOHA-NKOQVRSASA-N	367.449	3.440	30	40	FGEB	
CCCCS(=O)(=O)/N=C(\O)c1csc(-c2ccc(OC)cc2)n1	48553220	PTXXAHGZKWWLRW-UHFFFAOYSA-N	354.453	3.253	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)CSc3cccc[n+]3[O-])c2C#N)C1	6899533	PTQKRKFORDYLOM-LLVKDONJSA-N	359.476	3.109	30	40	FGEB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(C#N)cc1	8750696	SDHDZZCRAJTBFT-CTNGQTDRSA-N	361.445	3.080	30	40	FGEB	
Cc1cc2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2cc1C	34791577	PVUUHGFUFNBJBX-MRXNPFEDSA-N	355.463	3.111	30	40	FGEB	
N#Cc1ccc(CCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)cc1	206773281	UFJHHYKONXDJPN-GOSISDBHSA-N	374.444	3.417	30	40	FGEB	
COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1O	780227	QFODFWXKOBRCOO-UHFFFAOYSA-N	353.418	3.444	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)cs1	3527722	INFDSIJNEBPVPF-UHFFFAOYSA-N	359.451	3.339	30	40	FGEB	
Cc1ccc([S@@](=O)ON2CCC(C(=O)O)(c3ccccc3)CC2)cc1	4429969	AUNZEEIWDQBQHT-RUZDIDTESA-N	359.447	3.068	30	40	FGEB	in-vitro
CCN(C[C@H]1CCOC1)C(=O)c1ccc(COc2ccccc2C#N)o1	58229069	IUIRPMIMPVPPAR-OAHLLOKOSA-N	354.406	3.229	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1	13617314	IUDVLMOQFXOYCR-OWCLPIDISA-N	364.449	3.448	30	40	FGEB	
COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1O	409036921	MLUHASYUHVJAMQ-SDPNRITHSA-N	364.217	3.123	30	40	FGEB	
Cc1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1	5252500	KVZXLDXPZACHLK-UNOMPAQXSA-N	365.385	3.442	30	40	FGEB	
COc1cc(/C=N/Nc2ncnc3sc(C)c(C)c23)cc(OC)c1O	6652405	CDTPKALXBYQNKE-IFRROFPPSA-N	358.423	3.477	30	40	FGEB	
Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc2c(c1)OCCO2	9668578	SAQPUCLLTNQYOX-UHFFFAOYSA-N	364.430	3.417	30	40	FGEB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	34098776	SOXIJFAYYXSXCD-OLMLVEDVSA-N	360.370	3.329	30	40	FGEB	
CCN(CC)C(=O)C[N@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	253614792	BSMILUQLIZISAB-RUZDIDTESA-N	363.590	3.031	30	40	FGEB	
CCc1nnc([C@H]2C(=N)S/C(=C\c3ccc(C(=O)OC)cc3)C2=O)s1	6024756	HNMQZCLVYYGGOP-BKEGDHPGSA-N	373.459	3.305	30	40	FGEB	
COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1C(=O)O	19973650	JIYQPYLXZYXNQR-UHFFFAOYSA-N	367.401	3.094	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)CCCCC1	4602288	RNDXYARBYLNMFI-UHFFFAOYSA-N	360.414	3.310	30	40	FGEB	
C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@]3(C#N)C[C@@H]1CC[C@]23C	100867198	IBOQWGXLOPOUKM-BIMQEMHKSA-N	370.365	3.047	30	40	FGEB	
N#Cc1ccc(Cc2cnc(NC(=O)CCN3CCSC3=O)s2)cc1	12947459	LTLMPYKHXAYOQR-UHFFFAOYSA-N	372.475	3.103	30	40	FGEB	
C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12	5048350	OITUCHBJLHBKMP-RSMHBEIYSA-N	352.434	3.354	30	40	FGEB	
CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(CC)c(C#N)c(=O)[nH]1	5239019	UQLSSYTUDMUNNP-LBPRGKRZSA-N	370.478	3.194	30	40	FGEB	
O=C(N1CCCC1)N1CCC(/C(O)=N/CC#Cc2cccc(F)c2)CC1	328763653	ZNWNZDZNSMCFBX-UHFFFAOYSA-N	357.429	3.062	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc2ccccc2[nH]1	12604050	JVSQXVQGFWIWIT-UHFFFAOYSA-N	359.389	3.099	30	40	FGEB	
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	16929161	PSRYHQQVKMOFNA-UXDCFRQJSA-N	356.462	3.039	30	40	FGEB	
CCn1nccc1[C@@H]1C/C(=C2/C(=O)C=C(C)OC2=O)Nc2ccccc2N1	102449949	WSSLLOZLWCSDDA-NXSRCCIVSA-N	364.405	3.156	30	40	FGEB	
C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1	4498318	RYPYAFBWKOZYPZ-KRWDZBQOSA-N	350.418	3.239	30	40	FGEB	
CCOC(=O)c1cc(-c2ccc(C#N)cc2)nc2c1c(C)nn2CCC#N	3254021	JOTQZVVSJNPPDM-UHFFFAOYSA-N	359.389	3.369	30	40	FGEB	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@]1(C#N)CCSC1	95447935	BEGVTZAOBHQARJ-KRWDZBQOSA-N	352.525	3.279	30	40	FGEB	
CC[C@@]1(C)NC(=O)N(/N=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O	36843865	CLLLCKNIDPLRCA-HZSTWWNRSA-N	368.220	3.476	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O	14009914	QXUZDFCFCRODND-SFQUDFHCSA-N	352.365	3.483	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2C1=O	14597986	UGGOTGSNXMNXEJ-KSSFIOAISA-N	352.434	3.263	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C/C3=CC[C@@H]4C[C@H]3C4(C)C)C2=O)cc1	35637633	WLTAYVJOTRVOHA-UNIBGZHJSA-N	367.449	3.440	30	40	FGEB	
N#C[C@@]1(N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218528975	QNYPUCCLMNBFOY-OWCLPIDISA-N	367.257	3.154	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)CSCc2ccccc2)CC1	96119274	KEGSIKLJWPYPDD-UHFFFAOYSA-N	367.474	3.256	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)C1=Cc2cc(Cl)ccc2OC1	40122793	XAUMWANKIFEMJK-UHFFFAOYSA-N	371.799	3.355	30	40	FGEB	
N#Cc1ccc(COC(=O)c2ccc(CN3CCCC3=O)cc2)c(F)c1	11540169	ZJOWBBOBIWDDFL-UHFFFAOYSA-N	352.365	3.177	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1	12975676	UJCOOAYAAWRKOF-UHFFFAOYSA-N	353.451	3.156	30	40	FGEB	
C[C@@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O	13843465	YIIRFWXDYNUXOM-QHKYSRAXSA-N	370.471	3.167	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@H]1c1ccco1	5349009	UAGKEPVJMSTWGP-HNNXBMFYSA-N	362.345	3.365	30	40	FGEB	
CCc1ccc(-c2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)o2)cc1	14200981	BYGCEZYOEORXIP-SFHVURJKSA-N	358.467	3.446	30	40	FGEB	
Cn1ccc(=NN=C2C=CC(=NN=C3C=CC(=N)c4ccccc43)C=C2)cc1	409419470	IGKHPXVVDCKWQJ-UHFFFAOYSA-N	366.428	3.191	30	40	FGEB	
C[C@@H](Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1)C(=O)O	408943740	LZDUKLAYRVXEGR-DNQBHLINSA-N	353.300	3.398	30	40	FGEB	
C=CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1	219823358	IBQBOZSXDMXAGK-UHFFFAOYSA-N	358.350	3.186	30	40	FGEB	
C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	224801370	LXDQOXCGNYGJNJ-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
N#Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)cc1	527356214	QBXSFIFPUCUHOD-UHFFFAOYSA-N	363.490	3.328	30	40	FGEB	
N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2cc3ccccc3o2)CC1	252552497	UTRKHHIFYAXKTA-SHTZXODSSA-N	362.389	3.214	30	40	FGEB	
CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C#N)c2)nn1	1776008995	UXZFUFJCDVJPLW-JWTNVVGKSA-N	363.465	3.456	30	40	FGEB	
Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)ccc2Cl)C3)n1	685942368	JTNFIRNBFVWSGS-UGSOOPFHSA-N	356.813	3.097	30	40	FGEB	
CCC(/C=N/Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])CC	5018730	GXGQDGSLPQBNOG-SFQUDFHCSA-N	368.459	3.213	30	40	FGEB	
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)cc1	4828108	XEYLJULMQAQATK-CQSZACIVSA-N	350.374	3.275	30	40	FGEB	
O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cccc3ccccc23)cc1	8603196	DFHXBZFYJLGTFU-PDGQHHTCSA-N	355.375	3.060	30	40	FGEB	
CC(C)(C)NC(=O)c1ccc(NCC(=O)NC2(C#N)CCCCCC2)cc1	24260524	ILASXDXYJXDCIQ-UHFFFAOYSA-N	370.497	3.360	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)NCc2ccc(C)cc2)c1C#N	1100070	HSUBQDXKJVOIIG-UHFFFAOYSA-N	355.463	3.125	30	40	FGEB	
C=CCNC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1	9694953	NBWKTNFNSQTSEG-UHFFFAOYSA-N	364.854	3.198	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2ccc(F)cc2)c1	2224005	VNCZTIDPVZFTIK-WSDLNYQXSA-N	373.453	3.397	30	40	FGEB	
C=C(C)COc1cccc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1	100765923	VUXRWALIFWWKHQ-OALUTQOASA-N	367.493	3.390	30	40	FGEB	
Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1C	12906931	VRPRKEZTYTYLBV-UHFFFAOYSA-N	371.462	3.026	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)=O)cc1	19535681	GOYJMBVSXMKOAK-LJQANCHMSA-N	369.417	3.143	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1	4581558	OOFIGCJIIVDYDU-UHFFFAOYSA-N	354.431	3.340	30	40	FGEB	
CNC(=S)N/N=C/c1cn(CCOc2ccc(C)cc2)c2ccccc12	4663516	QGMUHTQAPZVJFS-LPYMAVHISA-N	366.490	3.457	30	40	FGEB	
C#CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1OCC	20196489	NGCZVJSKRKTAGJ-HZHRSRAPSA-N	368.433	3.238	30	40	FGEB	
C=CCOc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1	38752432	UJIFWBVGAZVODQ-UHFFFAOYSA-N	372.446	3.179	30	40	FGEB	
O=C(O)c1ccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)cc1	33337470	DMYROMINBPXZPF-MOSHPQCFSA-N	364.430	3.496	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1	7606802	JTACAOMQWDQZTF-OAQYLSRUSA-N	368.408	3.490	30	40	FGEB	
Cc1ccc2ncc(C#N)c(OCc3nnc([C@H]4CCCOC4)o3)c2c1	591694660	HXFJOEZOOVZZSY-ZDUSSCGKSA-N	350.378	3.271	30	40	FGEB	
CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C)cc1	40130516	GFAGYKMUWLVQBC-IBGZPJMESA-N	370.474	3.049	30	40	FGEB	
COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C(C)=O)cs1	40131704	IYUJEWJPVDRKFJ-UHFFFAOYSA-N	359.407	3.024	30	40	FGEB	
C=CCn1c(S[C@@H]2CCCCNC2=O)nc2sc(C)c(C)c2c1=O	32871683	CZLMMASWRQRDBN-GFCCVEGCSA-N	363.508	3.022	30	40	FGEB	
COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccc(F)cc2)cc1	4935861	YAJCRCFZAHBXFD-GSTIJIFKSA-N	357.410	3.300	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1	24237440	CSRAHPSACYBTJM-CYBMUJFWSA-N	364.492	3.046	30	40	FGEB	
COC(=O)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1	2078006	RDFGASRWPKFPGC-UHFFFAOYSA-N	351.314	3.274	30	40	FGEB	biogenic
CNC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1	2631910	FQKUSAYXSLVJFZ-LICLKQGHSA-N	365.553	3.290	30	40	FGEB	
O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1Cl	3539452	BHRMEYITBYHHGR-HNNXBMFYSA-N	373.865	3.456	30	40	FGEB	
N#Cc1ccc(COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1	5862259	DUFCOECMYIQPIJ-MRXNPFEDSA-N	357.797	3.055	30	40	FGEB	
C=CCN1CCN(C(=O)c2cn[nH]c2-c2ccc(OCC)c(Cl)c2)CC1	72328727	SWGPCACILBCKSF-UHFFFAOYSA-N	374.872	3.073	30	40	FGEB	
CC(=O)Nc1ccc(C#CC2(NC(=O)C3CCCC3)CCCCC2)cn1	12144120	CXJWLYHJLDUFSZ-UHFFFAOYSA-N	353.466	3.401	30	40	FGEB	
CC(C)(C)OC(=O)/N=C(/N=C(\O)OC(C)(C)C)NCCCCCCN	15809947	BQKPZRONQZKFSZ-UHFFFAOYSA-N	358.483	3.115	30	40	FGEB	in-vitro
N#Cc1cc2ccccc2nc1N1CC(Cn2cc(Br)cn2)C1	1889175260	XBTNLCZQGOUCIE-UHFFFAOYSA-N	368.238	3.202	30	40	FGEB	
CN(CC(=O)Nc1cccc(OC2CCCC2)c1)c1ccc(C#N)cn1	40158003	QFVINSQQKSXJOG-UHFFFAOYSA-N	350.422	3.350	30	40	FGEB	
CCCC(=O)C1=C(N2CCOCC2)C[C@@H](C[C@@H](C)SCC)CC1=O	1256596	CKFDZLWOOSMCEN-HUUCEWRRSA-N	353.528	3.453	30	40	FGEB	
C=CCn1c(C)cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1C	3410302	INUNDBOCVMGGFC-UHFFFAOYSA-N	355.829	3.481	30	40	FGEB	
c1ccc(Nc2nc(NN=C3CCCCC3)nc(N3CCOCC3)n2)cc1	6045609	SCWGLAWWOCUYAF-UHFFFAOYSA-N	367.457	3.184	30	40	FGEB	
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OCCCC#N)c2)C1	55570028	VVSBXZKOSBCTHF-INIZCTEOSA-N	357.454	3.202	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100201319	RYZNRFOSCDAQJF-PKEHYLFYSA-N	372.424	3.235	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1	58171053	HNNAAYUMJWKROX-UHFFFAOYSA-N	373.459	3.013	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)NC(=O)c1cccs1	58305358	NTLHTEUXFQYBMU-CQSZACIVSA-N	358.463	3.090	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O	409124327	BKQDBYNJJVMJCL-UKTHLTGXSA-N	365.227	3.315	30	40	FGEB	
COC(=O)c1sc(NC(=O)COc2ccc(C)cc2C)c(C#N)c1C	16285017	WWUHWHWTNCQLJK-UHFFFAOYSA-N	358.419	3.349	30	40	FGEB	
O=C(O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1	409095911	BRBNISXGWVTNAG-VXLYETTFSA-N	352.306	3.394	30	40	FGEB	
CC1(C)OB([C@H]2CCN(C(=O)C3(Oc4ccccc4)CC3)C2)OC1(C)C	1776007617	PMCVPXSHPIAWEX-HNNXBMFYSA-N	357.259	3.293	30	40	FGEB	
CN(C)/C=N/C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	20388885	NYOTXXPYBJTSNU-ZVBGSRNCSA-N	362.783	3.087	30	40	FGEB	
COc1cc(N/C=C2\C(=O)Oc3ccccc3C2=O)c(OC)cc1Cl	100642451	VVLVDXSSUFGDLB-LUAWRHEFSA-N	359.765	3.455	30	40	FGEB	
C=CCn1nnnc1NCc1ccc(-c2ccc(Br)cc2)o1	6856441	HNXNAAGHQMMGKB-UHFFFAOYSA-N	360.215	3.494	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)c2ccccc2C1=O	8036759	UJIXQNBCEGILIY-UHFFFAOYSA-N	374.849	3.212	30	40	FGEB	
CCCC(=O)C1=C(N2CCOCC2)C[C@H](C[C@H](C)SCC)CC1=O	1256601	CKFDZLWOOSMCEN-GJZGRUSLSA-N	353.528	3.453	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC(C(=O)c2ccccc2)CC1	10832833	HMUSNWBATUHGAP-INIZCTEOSA-N	361.445	3.480	30	40	FGEB	
C=CCNc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1	12973922	KAHGDQFCPIADGM-UHFFFAOYSA-N	353.473	3.152	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCC2	6059234	HIIYOQBATABCSS-UHFFFAOYSA-N	358.394	3.433	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC	14181341	KEKFIYXZRJJCCL-ZZXKWVIFSA-N	358.781	3.423	30	40	FGEB	
COc1cccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C(C)C)c1O	9530920	UAGKUBQLKOGWNM-RVDMUPIBSA-N	373.430	3.037	30	40	FGEB	
COCCn1cc(C/C(O)=N/c2nc([C@H]3CCCO3)n[nH]2)c2ccccc21	95479733	DMFZIOJKKZECKX-MRXNPFEDSA-N	369.425	3.088	30	40	FGEB	
C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC	409205080	LCDWWXGTRLTLDD-SFQUDFHCSA-N	364.401	3.353	30	40	FGEB	
Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3cccs3)c(C#N)c2=O)cc1	409196953	TULRXIJFYUTXHE-CMDGGOBGSA-N	363.398	3.343	30	40	FGEB	
C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3F)nc21	36617311	IEKZTTHFKIFODT-UHFFFAOYSA-N	371.393	3.233	30	40	FGEB	
C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O	223188822	UMGUTRGPVPIEEV-HXUWFJFHSA-N	354.425	3.088	30	40	FGEB	
C[C@@H](/N=C(O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)O	82070957	JJXSLXXACNKCRL-PEHNMLCRSA-N	362.769	3.134	30	40	FGEB	
Cc1ccc(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C	42339061	PPOIGTLVBSQUPT-UHFFFAOYSA-N	361.419	3.158	30	40	FGEB	
N#C[C@]1(N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252516215	QNYPUCCLMNBFOY-OAGGEKHMSA-N	367.257	3.154	30	40	FGEB	
N#Cc1cccc(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c1	44035306	RLIQOIABQHYRNT-UHFFFAOYSA-N	361.323	3.032	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1	100925177	AMFVLUWXGBRYTC-OWWRBYITSA-N	356.447	3.206	30	40	FGEB	
NC(=S)N/N=C1/c2cc(Cl)ccc2-c2c1cc(Cl)cc2[N+](=O)[O-]	4975116	NPHZXJBRYUAQDC-AQTBWJFISA-N	367.217	3.468	30	40	FGEB	
CCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1	3137176	LTIKTFXSMQPENL-QGZVFWFLSA-N	367.430	3.376	30	40	FGEB	
COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccco1)[N+](C)(C)CC3)OCO2	1280376	UGHOMKHHLXDQAD-LXXRFIIISA-N	370.425	3.363	30	40	FGEB	biogenic
C[C@@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	3349895	VIDJMLUPXRWXAY-INIZCTEOSA-N	362.842	3.291	30	40	FGEB	
CC/N=C1\S/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)N1CC	408784300	AQGYIIFOXNOXHV-SMFDUERQSA-N	371.462	3.126	30	40	FGEB	
CC(=O)N1CCC(=NOC(=O)C(c2ccccc2)c2ccccc2)CC1	408607204	JUZGUMUTLLNPHH-UHFFFAOYSA-N	350.418	3.360	30	40	FGEB	
Cn1cc(C#N)cc1C(=O)O[C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C	96013357	RJVFAALGHGEHCV-GOEBONIOSA-N	361.442	3.280	30	40	FGEB	
CCOC(=O)CC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12	7425226	BYKNCYQEFQYJDG-UHFFFAOYSA-N	367.430	3.282	30	40	FGEB	
Cc1cccc2c1OC[C@@H](/N=C(/O)N1C[C@@H](C#N)[C@H](c3ccccc3)C1)C2	330223345	SGVBMZUUABLGAN-AABGKKOBSA-N	361.445	3.452	30	40	FGEB	
C/C(=N/N)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	253505297	GUIUGRNHIOQLSU-TXHUJRDPSA-N	356.514	3.106	30	40	FGEB	
O=C(/C(=C/N1CCCCCC1)c1nnnn1-c1ccccc1)C(F)(F)F	33720442	WREDDYBFGIVHTA-OWBHPGMISA-N	365.359	3.011	30	40	FGEB	
O=c1oc2ccccc2cc1/C(O)=N/S(=O)(=O)c1ccc(Cl)s1	40129716	GCVFDXHXEGJPHT-UHFFFAOYSA-N	369.807	3.201	30	40	FGEB	
COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)cc1	33360557	YAJCRCFZAHBXFD-MQIUFUGCSA-N	357.410	3.300	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1	10366786	HFIAEDMMIDIPNK-UHFFFAOYSA-N	363.461	3.451	30	40	FGEB	
CCOC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2C)cc1	100217831	IWSMUBILAXZVQV-HEHNFIMWSA-N	350.378	3.054	30	40	FGEB	
CSc1nc(C)c(CCC(=O)N(CCC#N)Cc2ccco2)c(C)n1	58201392	ZGFQYDUXMHJCGB-UHFFFAOYSA-N	358.467	3.283	30	40	FGEB	
COc1ccc(C)cc1CO/N=C(/N)c1ccc(N2CCCCC2)nc1	60100246	NAFBFFFDCQVXDC-UHFFFAOYSA-N	354.454	3.226	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/Nc2nnc(-c3ccccc3)c(O)n2)ccc1Cl	4158759	VIDPAHJEFBVVLZ-GIJQJNRQSA-N	370.756	3.252	30	40	FGEB	
COc1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1C	14184028	JSUVTOQWEGFYJU-IBGZPJMESA-N	367.424	3.165	30	40	FGEB	
N#Cc1ccc(COC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1	6586062	RXUSEPPYJVCAOH-UHFFFAOYSA-N	367.386	3.146	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccnc1	8471621	GARGVAZNFZKRCO-GDBMZVCRSA-N	371.510	3.313	30	40	FGEB	
N#Cc1ncc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1	75105845	XJHOYJWXNBYHPQ-UHFFFAOYSA-N	361.371	3.079	30	40	FGEB	
CCOc1cc(/C=N\N2C(=O)CSC2=S)ccc1O[C@@H](C)CC	409346794	OOXSMDCMWDLPAN-PKSBALPTSA-N	352.481	3.457	30	40	FGEB	
C=CCc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(OCC)c1O	409137421	VCBXQMGBPFAJLP-RVDMUPIBSA-N	363.435	3.202	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)[C@@H]3Cc4ccc(F)cc43)CC2)OC1(C)C	1776000188	LIPFUARFOPGUAG-QGZVFWFLSA-N	357.234	3.256	30	40	FGEB	
CC(C)=CC(=O)C/C(C)=C/C[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O	100073480	ZKQJIDGUIYERRV-HETKQVNLSA-N	370.401	3.026	30	40	FGEB	
COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCC#N	16196135	URCNGHHTNFGKDI-SFQUDFHCSA-N	365.414	3.489	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)Cc2ccccc2Cl)CC1	96119280	ASUBLSHXTUOCEW-UHFFFAOYSA-N	355.825	3.219	30	40	FGEB	
COc1cc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)ccc1O	4974015	VFLCEEKFNGVMNQ-YBEGLDIGSA-N	356.403	3.301	30	40	FGEB	
C=CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC	58865702	QHQQTBFQYSKUEV-UHFFFAOYSA-N	358.390	3.404	30	40	FGEB	
CSc1nc(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N	2210317	LBRQLJNIKZQBJH-UHFFFAOYSA-N	350.856	3.281	30	40	FGEB	
CN(C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1)c1ccccc1	48355518	VMVNPIIOEZIMAS-UHFFFAOYSA-N	364.405	3.346	30	40	FGEB	
CN(CC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1	3540477	UJQRXWNGOMMAJC-UHFFFAOYSA-N	358.239	3.391	30	40	FGEB	
CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)cc2Cl)s1	96004207	VVUMQJDSEZVYOT-UHFFFAOYSA-N	356.860	3.062	30	40	FGEB	
CCc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)[nH]c(=O)c1C#N	5239083	ZKSIKOWIGKUUHZ-UHFFFAOYSA-N	370.478	3.232	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2ccc(C(F)(F)F)cc2)[nH]n1	5625920	NHVROELRFKHAOZ-CNHKJKLMSA-N	352.345	3.166	30	40	FGEB	
CCOc1ccc(Br)cc1/C=C1/S/C(=N/C)N(C)C1=O	408930054	RKLIQUABYMDACL-LUOFJIKJSA-N	355.257	3.380	30	40	FGEB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O	409080570	LRJWSNMGQFWQIE-WUXMJOGZSA-N	369.229	3.112	30	40	FGEB	
N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4cccs4)C3)C2)n1	96048300	ABTTVIFUXPHNSH-VQIMIIECSA-N	354.479	3.250	30	40	FGEB	
COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1O	5335882	CMQKVZOJMUJQQF-DUXPYHPUSA-N	359.765	3.281	30	40	FGEB	
CC/N=C(/S)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1	13597793	WOJCMHWAJNPIFR-UHFFFAOYSA-N	365.480	3.214	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1OC	4066676	NCMKWVFFVBPLMW-CYBMUJFWSA-N	371.220	3.359	30	40	FGEB	
CN1CCN(/N=C/c2nc(-c3ccccc3Cl)n3ccccc23)CC1	956903	YSNHODWZYKZGHE-KGENOOAVSA-N	353.857	3.236	30	40	FGEB	
COc1c2c(cc3c1[C@H](C(=O)Nc1ccccc1C)[N+](C)(C)CC3)OCO2	1819793	QQRWEQIQBHZXLU-GOSISDBHSA-O	369.441	3.045	30	40	FGEB	biogenic
COc1ccc2c(c1)CCC/C2=N/OCC(=O)N1CCc2sccc2C1	83970464	KEEHTEXAZDXGDI-UZYVYHOESA-N	370.474	3.399	30	40	FGEB	
CCCCCCCCNC(=S)NNS(=O)(=O)c1ccc(C)cc1	98045182	AYTXBDAZAROTOI-UHFFFAOYSA-N	357.545	3.013	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1	242592379	OSDRMGRTSKWCQG-XUVXKRRUSA-N	371.458	3.181	30	40	FGEB	
O=C(NCC#CCOc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2	90730715	OJIJXXBZWOUBMF-UHFFFAOYSA-N	367.445	3.130	30	40	FGEB	
C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	101231790	TWEQVSYRBCBMNB-GROYHEBESA-N	364.357	3.203	30	40	FGEB	
COc1ccccc1C(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N	871387	ATKGHOARHQCOHY-UHFFFAOYSA-N	369.446	3.425	30	40	FGEB	
C#Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(N)=O)c2)cc1	4859349	AWICOESPFHCGMC-UHFFFAOYSA-N	361.445	3.255	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3nc4ccccc4s3)CC2)nc1	24014182	QGNWDXYJBDKNOE-UHFFFAOYSA-N	363.446	3.418	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([C@@H](O)c2ccccc2)CC1	24763616	WFGIUVVFRSIWBR-IERDGZPVSA-N	363.461	3.331	30	40	FGEB	
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1CCc1ccccc1	58162855	GXYZEUOETXPIJI-MRXNPFEDSA-N	360.417	3.403	30	40	FGEB	
COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2)C1	58190961	BCXAWLSEVZPDJK-MRXNPFEDSA-N	350.422	3.215	30	40	FGEB	
Cc1cc(Cl)ccc1O[C@@H](C)c1ccnc2nc(/N=C/N(C)C)nn12	4084201	OIVKSJRKROUGNG-QDBSGRMGSA-N	358.833	3.448	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@H]2NC[C@@H](C(=O)O)S2)c2ccccc21	408979509	RFLYFXKQCVNJQT-OALUTQOASA-N	363.442	3.349	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1Cl	408917987	DUMRVWQAWKQNCV-UNXFNURESA-N	361.228	3.380	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OCC	409046877	LERHOEYVIAFJPM-LCYFTJDESA-N	366.870	3.333	30	40	FGEB	
Cc1ncc(S(=O)(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1C#N	577455638	WZBMVZPSEMGMDI-HXUWFJFHSA-N	367.474	3.492	30	40	FGEB	
C=CCCOCC(=O)NC1(C2CCN(C(=O)CC[C@H](C)CC)CC2)CC1	1775992931	VGJKDRRGMNBEFV-QGZVFWFLSA-N	364.530	3.293	30	40	FGEB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)c3ccccc3)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	5723574	GCDRMGMIJGWNQK-ZQCVIMGFSA-N	366.413	3.255	30	40	FGEB	biogenic
N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)cc1	12875103	HSTYGNGESHJGCV-MRXNPFEDSA-N	354.454	3.251	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1	41014480	QKHBXPMXAIAJIP-CYBMUJFWSA-N	352.390	3.247	30	40	FGEB	
COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1	102684679	WNNKDNBPUPCCPU-XNFNUYLZSA-N	362.389	3.204	30	40	FGEB	
C=CCOCCNc1nc(C(C)C)nc2c1nnn2Cc1ccccc1	4985534	JCEZADMXNGRRHI-UHFFFAOYSA-N	352.442	3.008	30	40	FGEB	
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2C#N)cc1	3236970	OPPHLGYLBNSLDX-UHFFFAOYSA-N	351.406	3.200	30	40	FGEB	
COc1cc2c(cc1OC)[C@@H]1CC(=O)C3=C(CC(C)(C)CC3=O)N1CC2	2097330	OFQHASLXQFCFNN-AWEZNQCLSA-N	355.434	3.219	30	40	FGEB	biogenic
OC(PC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	103660160	MSHVGWVGGYOOMV-UHFFFAOYSA-N	366.038	3.291	30	40	FGEB	
NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1SCc1cccs1	2539505	JMMMDVHLBQYNRG-VIZOYTHASA-N	352.466	3.116	30	40	FGEB	
COC(=O)c1ccc(COc2ccccc2/C=N/n2c(C)nnc2C)cc1	6687172	YRAXUQKWUIFUAL-CIAFOILYSA-N	364.405	3.143	30	40	FGEB	
C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccccc2OC)s1	5783963	JGPASMDNGJDXLY-SNVBAGLBSA-N	350.469	3.264	30	40	FGEB	
CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccccc2OC)cc1	7713821	KSGAZMBWOWLLMB-JLHYYAGUSA-N	359.447	3.280	30	40	FGEB	
N#CCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1	408807066	OBIFWNUOHUREIF-UHFFFAOYSA-N	354.386	3.491	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c(O)c1	35324216	ANBDXIBKBYJCPU-QPJJXVBHSA-N	358.346	3.043	30	40	FGEB	
COc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1	33656712	CKHSYKHLBKSMRL-ATVHPVEESA-N	365.414	3.489	30	40	FGEB	
N#Cc1cc(Br)ccc1N1CCC(Oc2cnccn2)CC1	618685714	WRTBAPWAFLKCKS-UHFFFAOYSA-N	359.227	3.159	30	40	FGEB	
N#Cc1ccccc1CN1CC(F)(F)C[C@]2(CCN(CC3CC3)C2=O)C1	585093236	KKYLMZXPVRFHRZ-LJQANCHMSA-N	359.420	3.028	30	40	FGEB	
CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(OC)cc1)O2	5067801	GTRWMWKCKQQGHI-CPIREHHASA-N	350.378	3.060	30	40	FGEB	
CN1C(=O)[C@H](CC(=O)NCc2ccccc2)S/C1=N/c1ccc(F)cc1	100072319	PUAQLNBOGVBFJE-QKDOTCOFSA-N	371.437	3.094	30	40	FGEB	
CNC(=S)N(C)/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21	1064247	LXPARMCJJHKUHI-LTGZKZEYSA-N	372.881	3.027	30	40	FGEB	
Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N	809418	LQOHRAVNCTXLKY-UHFFFAOYSA-N	367.352	3.305	30	40	FGEB	
CC(=O)c1cc(C#N)c(SCC(=O)N2CCc3ccccc3C2)nc1C	3318335	AWBNBWNMPDLDPA-UHFFFAOYSA-N	365.458	3.141	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccs2)cc1	2503983	ZDTUISCFMNAMTL-LRDDRELGSA-N	357.431	3.016	30	40	FGEB	
CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O	5217841	NPZKQLSTTLSWAP-NVNXTCNLSA-N	368.769	3.434	30	40	FGEB	
Cc1nn(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c(C)c1[N+](=O)[O-]	32666284	SRPIPULBFURXOI-YVLHZVERSA-N	354.410	3.289	30	40	FGEB	
Oc1cccc(/C=N/n2c(S)nnc2-c2ccc(OC(F)F)cc2)c1	8185386	ZYFVBLGLVWAUSJ-DJKKODMXSA-N	362.361	3.423	30	40	FGEB	
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2C#N)n1	14152773	AMUQPRFZWIIZKT-UHFFFAOYSA-N	352.341	3.406	30	40	FGEB	
COc1ccc(/N=C2/S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)cc1	5513498	AOCGSBJUHTZSIB-MJWGMMHASA-N	356.403	3.306	30	40	FGEB	
COc1ccccc1NC(=S)N/N=C(\C)c1ccc2c(c1)OCCO2	5119880	BZHZWEIDDYWQCK-UDWIEESQSA-N	357.435	3.177	30	40	FGEB	
N/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1	5252439	NJLGLHGVLMJAIG-UHFFFAOYSA-N	373.659	3.197	30	40	FGEB	
CNC(=S)N(C)/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21	33296716	LXPARMCJJHKUHI-PGMHBOJBSA-N	372.881	3.027	30	40	FGEB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	100420980	ZGAHLNIDBUQCQV-DZGCQCFKSA-N	364.401	3.063	30	40	FGEB	
C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	32724449	CQLSLNFNOXFBEC-UHFFFAOYSA-N	352.437	3.342	30	40	FGEB	
CCCCNC(=S)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	103115654	PNMGBBMWIZWFKZ-RELWKKBWSA-N	366.490	3.202	30	40	FGEB	
C#CCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccc(OC)c(OC)c1	47331387	XNPAOCWXDBXEML-SFHVURJKSA-N	371.458	3.015	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)N2CCC(c3ncc[nH]3)CC2)cc1OC	58142380	DCJMGXZUOUNHAU-FNORWQNLSA-N	367.449	3.403	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccc(OCC)c3ccccc23)C(=O)NC1=S	408902556	JWSHMOLENHYFFR-FOWTUZBSSA-N	366.442	3.051	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	6238890	RETXEZLYRAPRCG-SFHVURJKSA-N	369.392	3.441	30	40	FGEB	
COc1ccccc1CN(C)C(=O)CSc1nc(C)cc(C)c1C#N	6983482	CADPLKVJYQFWLP-UHFFFAOYSA-N	355.463	3.329	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)CCC2CCN(C(C)=O)CC2)cc1	72302690	JZDRFXRJMSOFRP-UHFFFAOYSA-N	358.482	3.249	30	40	FGEB	
C=CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O	409067683	QQZCEQOSEXWUER-YRNVUSSQSA-N	370.224	3.386	30	40	FGEB	
C#CCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1	12344189	SFKOIOQIQFXKIY-UHFFFAOYSA-N	351.446	3.191	30	40	FGEB	
CC1=C(C(=O)OCCC#N)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1	4189586	LSRJZAQLELTSAK-ZDUSSCGKSA-N	354.193	3.078	30	40	FGEB	
C=CCOC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(F)c(F)c1	2055747533	FRALGLFCGCHCOD-IBGZPJMESA-N	374.435	3.268	30	40	FGEB	
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccccc4)nc3C#N)CC2)cc1	12418215	YIWQUTLOXSKZHX-UHFFFAOYSA-N	372.428	3.484	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	40089717	OTPIXRYRQCXFCK-URKNILKWSA-N	357.498	3.373	30	40	FGEB	
CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1	662503	LVOBSZDVQIDTCD-OAHLLOKOSA-N	363.360	3.208	30	40	FGEB	
C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc2ccccc2c1=O	3249581	HANSAVMDGHZYKF-HUUCEWRRSA-N	371.506	3.179	30	40	FGEB	
COc1ccc2nc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)[nH]c2c1	7985749	QDPNSIGFTJGDMN-LBPRGKRZSA-N	358.467	3.395	30	40	FGEB	
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)CC2)o1	598303873	BXTKCDMJKZEZGE-QZTJIDSGSA-N	364.449	3.134	30	40	FGEB	
COc1cccc(OC[C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1	1889136216	ILWVBBWJRAFQEV-INIZCTEOSA-N	355.413	3.392	30	40	FGEB	
Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(-c2ccc(F)cc2)n1	49006931	LKGOGJXTUKQFDZ-UHFFFAOYSA-N	362.364	3.480	30	40	FGEB	
C#CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1	12556152	MDLPCFRYBLHVDL-IIBYNOLFSA-N	362.429	3.444	30	40	FGEB	
C=CCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccccc1F	12685197	WLANDOUBDXBSAN-UHFFFAOYSA-N	362.382	3.451	30	40	FGEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	13162859	ULEPUGQQTUUHDA-SFHVURJKSA-N	351.402	3.220	30	40	FGEB	
O=C(O)c1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)O)c2)cc1	409237917	KIEZYEKYOVEMDR-JAIQZWGSSA-N	350.330	3.330	30	40	FGEB	
N#CCCSc1ccccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1	95953473	AJKOXVSHJYUBKD-INIZCTEOSA-N	352.415	3.413	30	40	FGEB	
COc1cc(/C=N/c2ccc(C(=O)O)cc2C)ccc1O[C@H](C)C(=O)O	409012955	LRKOHKCAUGAPKD-HMASQMOLSA-N	357.362	3.304	30	40	FGEB	
N#CCc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1	225646247	MJOPZDXIFYXSAW-UHFFFAOYSA-N	364.474	3.366	30	40	FGEB	
Cc1cc(/C(=C\N(C)C)C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)on1	91297361	IXMLVLDVMKFJBA-FQZGENGWSA-N	363.458	3.102	30	40	FGEB	
CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1	1099892	GQNNRDHDQKMSDP-WJDWOHSUSA-N	353.374	3.447	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(OC(F)F)cc2)c1	3440869	FHJVLOHPYSJWRO-VXLYETTFSA-N	354.378	3.217	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@H]1CN(c2c(C)cccc2C)C(=O)/C1=N/O	16952802	UXYTXQQYBQSZPT-FVOSJULTSA-N	365.433	3.352	30	40	FGEB	
CCOc1ccc(-c2csc3c(=O)n(CC#N)cnc23)cc1OCC	44167018	MTIWYXRTUZBHIZ-UHFFFAOYSA-N	355.419	3.446	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)CC(=O)Nc1ccccc1Cl	3351319	FIOBXMINHFISGV-ZDUSSCGKSA-N	370.840	3.109	30	40	FGEB	
COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCC#N	409033070	KVFHAJMSUKOABT-HOEBFWFUSA-N	373.228	3.311	30	40	FGEB	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)n1C	4947815	DOGMKYSHNULSLX-LBPRGKRZSA-N	367.434	3.375	30	40	FGEB	
CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O	5997318	GGGMWTNGMYEBIL-NVNXTCNLSA-N	350.779	3.295	30	40	FGEB	
Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCCC2	20590471	NLBGLCVDSXQFTG-UHFFFAOYSA-N	360.461	3.103	30	40	FGEB	
C=CCN1CC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2nccs2)C1=O	306135317	ONMYQPDHZVGKMW-FXAWDEMLSA-N	371.481	3.286	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc(Cl)c2)C1=O	408533196	JOKVUVBJYIOBMD-AWEZNQCLSA-N	355.781	3.250	30	40	FGEB	
N#Cc1nccnc1N1CCC(COc2cc(-c3ccccc3)ncn2)CC1	1775970873	SZCPXWOBYQWGPF-UHFFFAOYSA-N	372.432	3.101	30	40	FGEB	
Cc1ccc(S(=O)(=O)O[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1	5059933	HJGRODODJPAHKG-KRWDZBQOSA-N	359.447	3.005	30	40	FGEB	
COc1ccc(OC)c(/C(C)=N/Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	12846508	KCODCLDHEFLZKP-LICLKQGHSA-N	361.310	3.323	30	40	FGEB	
N#Cc1cccc(NC(=O)CSCc2nc(-c3ccccc3)no2)c1	40067227	WNBSTBVLPXDYLR-UHFFFAOYSA-N	350.403	3.480	30	40	FGEB	
N#CCc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccco2)cc1	25228726	CQAIEJSZJQFMPD-SFHVURJKSA-N	366.417	3.381	30	40	FGEB	
O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(N2CCOCC2)cc1	9157397	YPAQHQRFTJBXER-JXAWBTAJSA-N	365.458	3.415	30	40	FGEB	
CCN1C(=O)/C(=N/NC(=S)c2ccc3ccccc3n2)c2ccccc21	104202579	ARNSTYPJWGXBSV-RELWKKBWSA-N	360.442	3.271	30	40	FGEB	
CCOC(=O)c1[nH]c(COc2ccc(C#N)cc2)c(C(=O)OCC)c1C	3324354	SBNBZHVEVGRQFS-UHFFFAOYSA-N	356.378	3.127	30	40	FGEB	
Cc1cc(C)c2nc(N=C3NCN(CCc4ccccc4)CN3)nc(C)c2c1	19320354	KSOGIMMTDGOMAL-UHFFFAOYSA-N	374.492	3.195	30	40	FGEB	
Ic1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1	408914355	PLNWZDGVKPQSEJ-REZTVBANSA-N	364.146	3.025	30	40	FGEB	
C=CCNC(=O)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1	4876329	IGIUWGBHZFYCRF-UHFFFAOYSA-N	352.765	3.463	30	40	FGEB	
O=C(O)c1ccc(-c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cn3)o2)cc1	408751013	VJOSPAVOOFJVNH-GRSHGNNSSA-N	352.306	3.394	30	40	FGEB	
Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	216774685	QGPIQFYWRLCRHT-OAQYLSRUSA-N	359.433	3.038	30	40	FGEB	
COc1ccc(/N=C2/S[C@@H](CC(=O)O)C(=O)N2[C@@H]2C=CCCC2)cc1	35185204	VRGMBMPBWONHKD-XDLPEBSCSA-N	360.435	3.210	30	40	FGEB	
Cc1cc(=O)c(/C(O)=N/C[C@H](C)N2CCc3sccc3C2)cn1C1CC1	329248373	SLIFPBHZGRAWMU-AWEZNQCLSA-N	371.506	3.305	30	40	FGEB	
CN/C(=N/c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1	25539695	ODQITFKHECTAFZ-UHFFFAOYSA-N	357.479	3.159	30	40	FGEB	
CC1(C)[C@H](C(=O)O)CC[C@]1(C)/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	675031135	XBTQQBVOXKLBPH-KVXDKCEGSA-N	364.358	3.428	30	40	FGEB	
COC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O	5956675	BWBYXUCRLCYVCP-OCKHKDLRSA-N	364.353	3.173	30	40	FGEB	biogenic
Cc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(=O)c(C#N)c1C	25046258	JDHPBNMCNWWJPY-UHFFFAOYSA-N	365.220	3.067	30	40	FGEB	
CN(C(=O)c1cc(Br)c2c(c1)OCCO2)c1cccc(C#N)c1	58190679	RTPGPWSWXVOVRH-UHFFFAOYSA-N	373.206	3.369	30	40	FGEB	
CCOc1cccc(NC(=O)[C@@H]2CC(=O)N/C(=N\c3ccccc3)S2)c1	4082791	BFGFZVLCRNUVHI-INIZCTEOSA-N	369.446	3.333	30	40	FGEB	
N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1	225870366	ZNVCOPGNEPBZJU-UHFFFAOYSA-N	357.461	3.317	30	40	FGEB	
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@]2(O)CC(=O)ON=O	1569985905	LUDJHMWFRJTWHL-SOTAWHFNSA-N	361.438	3.474	30	40	FGEB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)c3ccccc3)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	1776001099	GCDRMGMIJGWNQK-ASEVCOPASA-N	366.413	3.255	30	40	FGEB	
COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)ccc1O	12347719	JCJHZBPVQRVOQB-AWEZNQCLSA-N	355.394	3.030	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1	7255354	QUSJJQARZUIFOH-DHZHZOJOSA-N	350.374	3.152	30	40	FGEB	
C=CCNc1nnc(SCC(=O)Nc2ccc(OCC)cc2)s1	5785707	IAGBIXNIQUVNLL-UHFFFAOYSA-N	350.469	3.266	30	40	FGEB	
O=S(=O)(N/N=C/C=C/c1ccccc1)c1ccc(Br)cc1	2096503	PHCSNSQVABGBHK-FZHIPVGDSA-N	365.252	3.427	30	40	FGEB	
C=CC/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC=C	4699144	PZOKQBHBYMGCOX-RMYFCYLKSA-N	363.870	3.341	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)NCCCSc2ccc(F)cc2)c1	16085029	HIOGNLZFEOKIIK-UHFFFAOYSA-N	350.440	3.158	30	40	FGEB	
Cc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)c(C)c1	27750209	OREKRQOSIDYBQA-UHFFFAOYSA-N	351.410	3.441	30	40	FGEB	
C=CCc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1OC	218656878	LYZHLOBUJBRJIY-UHFFFAOYSA-N	371.433	3.380	30	40	FGEB	
O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl	90730858	HDLHBUNZFXTZFC-UHFFFAOYSA-N	361.756	3.020	30	40	FGEB	
C=CCn1c(=O)c2ccccc2n2c(SCc3ccc(C#N)cc3)nnc12	3556129	UTUWXJDERHBPRG-UHFFFAOYSA-N	373.441	3.394	30	40	FGEB	
C#CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(C(=O)OC)ccc21	100875146	GYNLQYMUNRUGSG-VXPUYCOJSA-N	356.447	3.130	30	40	FGEB	
Cn1cc(S(=O)(=O)/N=C(\O)CC(c2ccccc2)c2ccccc2)cn1	40153190	RPPBPNSTWBDIEL-UHFFFAOYSA-N	369.446	3.288	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)SC1=S	12379068	RUTURBIOEMKCSV-YHYXMXQVSA-N	356.812	3.341	30	40	FGEB	
C=C(C)Cn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CCC3	985751	IDYKEIIAONMAHP-UHFFFAOYSA-N	364.492	3.178	30	40	FGEB	
O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(N2CCOCC2)c1	34868568	QVDRZGXHKDOZSR-GQCTYLIASA-N	354.362	3.033	30	40	FGEB	
Cn1c(=O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21	100361650	WGZFJRFTDOPAQL-DHZHZOJOSA-N	350.330	3.048	30	40	FGEB	
C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1OC	10961073	XQIAOCOZTVVVKS-ZDUSSCGKSA-N	355.390	3.480	30	40	FGEB	
C[C@@H]1CCC[C@H](/N=C(/S)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C	13637336	QJYUYRKWNRGDRB-IOASZLSFSA-N	369.556	3.459	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)Nc3ccccc3C)c3n2CCC3)cc1	13776215	RSJPHBGIEDXAQX-UHFFFAOYSA-O	362.453	3.345	30	40	FGEB	
COc1cc(/C=N/OCC(=O)NC2CCCCC2)cc(Cl)c1OC	5470340	OWRGAAFCHDSCOB-VXLYETTFSA-N	354.834	3.157	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(-c2ccccc2)c1C	19829454	LCFBWMKPEHLJIV-GJZGRUSLSA-N	366.465	3.014	30	40	FGEB	
COc1ccc(/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	4956735	UZOWEGSVBBMCQA-RQZCQDPDSA-N	361.310	3.279	30	40	FGEB	
C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)C/C(O)=N/c1cccc(F)c1	82108631	GUDWBYLEDQBCOS-OAHLLOKOSA-N	374.460	3.419	30	40	FGEB	
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(O)c1)n1ncnc1N2	18197595	IECLEMGTXFDCFA-XIKOKIGWSA-N	364.430	3.461	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1	409239074	GEFMKIHPAQTVGS-KGENOOAVSA-N	354.406	3.069	30	40	FGEB	
CN(C(=O)N1CCCC[C@H]1C/N=C(/O)c1ccccc1)C1CCOCC1	328668567	DSZKOPKWZJDLRS-SFHVURJKSA-N	359.470	3.077	30	40	FGEB	
Cc1noc(C)c1C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C	28934341	IZZAKWKYMDZZHN-YVLHZVERSA-N	354.406	3.329	30	40	FGEB	
CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O	101661322	ZLHJRXYWVGEUIN-LJQANCHMSA-N	363.433	3.435	30	40	FGEB	
CC(=O)/C=C\C=C/c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	5759779	RCKPFEXECYJLFV-BYGYKRNASA-N	368.385	3.130	30	40	FGEB	
C#CCN1CCC[C@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)C1	19529993	NEVKGZYSYWEXPD-PGRDOPGGSA-N	368.477	3.157	30	40	FGEB	
Cc1ccc2c(CC(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)coc2c1	6648665	AWZFZDFFCIJRLJ-OAHLLOKOSA-N	368.414	3.468	30	40	FGEB	
COC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C	782891	NPOSJDRAHPIYIJ-UHFFFAOYSA-N	364.810	3.386	30	40	FGEB	
CN(C)CCNc1oc(-c2ccc(COc3ccccc3)o2)nc1C#N	12418874	DAACIWHXCSNIFF-UHFFFAOYSA-N	352.394	3.359	30	40	FGEB	
NC(=S)N/N=C1/C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21	4748668	MNFHQBGYSFHEHJ-LYBHJNIJSA-N	371.465	3.141	30	40	FGEB	
CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccc(Cl)c(C#N)c1	40120213	MBDQVRVQRJXCGV-UHFFFAOYSA-N	362.861	3.466	30	40	FGEB	
COc1cc(/C=N/N=C2\C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC	77024176	WLSARXDYYLPAPV-AWQFTUOYSA-N	373.796	3.141	30	40	FGEB	
Cc1cc2nn(CN(CCC#N)CCC#N)c(=S)n2c2ccccc12	25284857	LXAAYAIUQLEVQK-UHFFFAOYSA-N	350.451	3.414	30	40	FGEB	
Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3ccccc3Cl)cn2)n1	58342470	WFOCSBKFAQSWOK-UHFFFAOYSA-N	355.829	3.375	30	40	FGEB	
Cc1nc(C)c(CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(=O)[nH]1	12761151	CZOISXFZXWXSGK-UHFFFAOYSA-N	371.440	3.358	30	40	FGEB	
C=CCNC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12	2296178	QJUPPSPOWXELIU-UHFFFAOYSA-N	373.416	3.080	30	40	FGEB	
N#Cc1ccc(COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	5968883	VTNTZNBCZSTAAW-UHFFFAOYSA-N	365.389	3.426	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3cccs3)C[C@@H]2c2nccs2)C1=O	306126804	FFPVXQTWAWSAQA-QAPCUYQASA-N	359.520	3.209	30	40	FGEB	
CCc1nnc(S)n1/N=C/c1ccc(OCc2ccccc2C#N)cc1	408851547	CQHMGHQPQAKAIE-CIAFOILYSA-N	363.446	3.462	30	40	FGEB	
CN(C(=O)N1CCCC[C@@H]1C/N=C(/O)c1ccccc1)C1CCOCC1	328668564	DSZKOPKWZJDLRS-GOSISDBHSA-N	359.470	3.077	30	40	FGEB	
CCOc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1OC	96400364	AXWQUCDNPANUPK-UVTDQMKNSA-N	358.415	3.148	30	40	FGEB	
Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1)O2	20573205	YMXCWUNIQYFHLL-UYRXBGFRSA-N	364.445	3.064	30	40	FGEB	
CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21	250354130	XPEIGOKUIMTXJQ-ZEXYREEGSA-N	359.429	3.048	30	40	FGEB	
COc1cc(-c2c(C#N)c(=O)oc3cc(O)ccc23)cc(OC)c1OC	96336933	GXFRIPBZRDXKOA-UHFFFAOYSA-N	353.330	3.063	30	40	FGEB	
COC(=O)c1ccc(COc2ccccc2/C=N/n2cn[nH]c2=S)cc1	40161352	OGTICFCCOHTCFB-KEBDBYFISA-N	368.418	3.188	30	40	FGEB	
CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3cccnc3)c2=O)cc1	101760757	DOHIDDBLFSALPU-RGVLZGJSSA-N	352.419	3.309	30	40	FGEB	
CC(C)(C)C1CCC(C#N)(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	97095507	ZBMHCJBRQIUVDU-UHFFFAOYSA-N	365.455	3.372	30	40	FGEB	
C[C@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	900586	HCYXJDLNWMBUHZ-CPCISQLKSA-N	366.759	3.066	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1	3248242	ADZNRCQHIHTYHQ-UHFFFAOYSA-N	365.414	3.282	30	40	FGEB	
COc1c(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc2c(c1OC)OCO2	35324871	BXCOEHUKHMWWQW-HWKANZROSA-N	370.357	3.100	30	40	FGEB	
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	19315262	ANXLXAWIQUBQCG-SFHVURJKSA-N	369.417	3.336	30	40	FGEB	
Cc1nn(-c2ccccc2)c(Cn2cc(C(F)(F)F)ccc2=O)c1C#N	12979335	TULQIUBOVVXBRA-UHFFFAOYSA-N	358.323	3.281	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)nc1	12927747	WRLORFBNLJLVOY-UHFFFAOYSA-N	373.460	3.010	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccccc1OCc1ccccc1)n1nnnc1N2	12915645	XXFBVJFEMVYFKF-FQEVSTJZSA-N	373.416	3.274	30	40	FGEB	
COc1ccccc1CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N	7097454	HAHICTSYZKCRQB-UHFFFAOYSA-N	369.490	3.338	30	40	FGEB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)c1	216776527	VPGOXDLCGXUYRK-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@@H]1CCn2ccnc2C1	329976914	FTNNRCMQKNJODT-ILXRZTDVSA-N	362.474	3.076	30	40	FGEB	
CC(C)(C)OC(=O)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1	199484274	OPRSMLQJJBUDJR-UHFFFAOYSA-N	354.643	3.381	30	40	FGEB	
COCC/N=c1/scc(-c2ccco2)n1/N=C/c1ccc(OC)cc1	103458912	WDMDNQXZEQCPKR-AIIFXJEASA-N	357.435	3.248	30	40	FGEB	
COc1ccc(OC)c(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c1	13653789	CZKWVRJXFAIBLF-ZDLGFXPLSA-N	355.390	3.087	30	40	FGEB	
COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1ccc(Cl)cc1	5236586	KBTWPTKXCYRGMI-ZVBGSRNCSA-N	356.769	3.042	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2	9484259	NRJCUPNUCZIDTF-SGTLLEGYSA-N	350.353	3.426	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c1	7890330	TZBDOMSNRNVEAV-IBGZPJMESA-N	366.417	3.318	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@H]2c1cccc(Br)c1	18196093	BOZNOBWHLDBFSX-AWEZNQCLSA-N	374.242	3.094	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)OCC(=O)c2ccc(SC)cc2)cc1	21971433	HFLPRSNLECLZJQ-RGVLZGJSSA-N	373.430	3.194	30	40	FGEB	
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1	223722205	KHAYURWLAIVPAS-UHFFFAOYSA-N	361.463	3.389	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@H]4CCC[C@H](C)[C@@H]4C)CN3)nc2c1	19327107	UVJAURJSRPJZJF-DOXZYTNZSA-N	366.513	3.469	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@]3(C)[C@@H]1C2	253407534	WNQOWPFARWIGAD-PRFYUWOJSA-N	362.466	3.147	30	40	FGEB	biogenic,in-vitro
COc1cc(C#N)ccc1OC(=O)Cc1c(F)c(F)c(F)c(F)c1F	10447010	GQELUTULYYAXTH-UHFFFAOYSA-N	357.234	3.410	30	40	FGEB	
CN1C(O)=NC(O)=C2C1=NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(O)c1	9043274	XYMXDBANWOSMHM-AWEZNQCLSA-N	373.368	3.125	30	40	FGEB	
CCC(=O)n1cc(/C=C2\S/C(=N\C)N(C)C2=O)c(-c2ccccc2)n1	17167130	ANKKPNCCUUCQET-JICZVTBCSA-N	354.435	3.132	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(N(C)C)c(Br)c2)C(=O)N1C	408930082	RVRQOCPOIGFVFG-LUOFJIKJSA-N	354.273	3.047	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O	409136664	SQCDLVKBTLBTKK-GXDHUFHOSA-N	366.402	3.386	30	40	FGEB	
O=S(=O)(/N=C(\O)c1cccc(-n2cccc2)c1)c1ccnc(Cl)c1	95467925	GPXPYCFCGMGNDI-UHFFFAOYSA-N	361.810	3.219	30	40	FGEB	
COc1cc(N2CCCCC2)ccc1/C=N/Nc1ncccc1[N+](=O)[O-]	409107549	SDFMICPBQDHKCA-DEDYPNTBSA-N	355.398	3.435	30	40	FGEB	
C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccs1	225125667	XQEXXHZZLOEXKA-UHFFFAOYSA-N	351.449	3.306	30	40	FGEB	
CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C#N	225770027	UOSTYHRSTOYQDB-UHFFFAOYSA-N	364.401	3.170	30	40	FGEB	
Cc1cc(N2CCN(c3ncc(C#N)cc3Cl)CC2)nc(C(C)C)n1	608885130	MJANEBYFXUHZNU-UHFFFAOYSA-N	356.861	3.155	30	40	FGEB	
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccncc3)n2)cn1	585295094	ZWDUOCAVEYVPPJ-IBGZPJMESA-N	357.421	3.219	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1OC	5409111	OSDFWBPEUJAFPC-SFHVURJKSA-N	367.401	3.220	30	40	FGEB	
O=C(O)Cc1sc(N/N=C/c2ccc(O)cc2O)nc1-c1ccccc1	8306401	PVSSEOJZMPVWNJ-VXLYETTFSA-N	369.402	3.294	30	40	FGEB	
CC1(C)CCC[C@@](C)(C#CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1	19933925	MSFIGTAAZXPDHC-NRFANRHFSA-N	371.481	3.458	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cc(F)ccc21	100875362	FEFRZACKAWZRKV-VZCXRCSSSA-N	370.405	3.233	30	40	FGEB	
CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	13563964	ZYGORYRCFLYRPZ-CABCVRRESA-N	352.438	3.425	30	40	FGEB	
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	4141844	VOSIPQAIPKUIDN-OVTCNUJSSA-N	356.447	3.350	30	40	FGEB	
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccccc3Cl)cnc12	5047328	ZKSNUMPZRAIIIR-ZVBGSRNCSA-N	352.781	3.422	30	40	FGEB	
N#Cc1cc(C(=O)c2ccccc2O)cn(-c2cccc3ncccc23)c1=O	14198916	WWGQHWLKBKFITJ-UHFFFAOYSA-N	367.364	3.194	30	40	FGEB	
CSc1nn(-c2cc(Oc3cccc(C)c3)nc(C)n2)c(N)c1C#N	4667761	CSQUOQDPNPCREC-UHFFFAOYSA-N	352.423	3.247	30	40	FGEB	
CCCCS(=O)(=O)c1nnc(/N=C(\O)c2cccc(OCC)c2)s1	8768180	JRZVKHOUCGRGKM-UHFFFAOYSA-N	369.468	3.147	30	40	FGEB	
Cc1ccc(-n2cc(C(=O)N(C)c3cc(Cl)ccc3C#N)nn2)cc1	75108083	JVJNIUIRAGKXGK-UHFFFAOYSA-N	351.797	3.377	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)c(C)c1	409241633	KTHBVNAKMOMCEZ-PUFAJPFRSA-N	371.389	3.393	30	40	FGEB	
CC(C)(C)[C@@]1(C)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O	193752250	XYWPKTOJKCLINK-INIZCTEOSA-N	364.243	3.177	30	40	FGEB	
C=CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2cc(OC)c(OC)cc21	13634553	KUXRPEIEFXVTRS-UHFFFAOYSA-N	372.808	3.009	30	40	FGEB	
CCOC1(OCC)[C@H](c2cccs2)C(C#N)(C#N)C1(OCC)OCC	721489	XXZUIFQQIPYLDY-OAHLLOKOSA-N	364.467	3.417	30	40	FGEB	
CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1	23375166	VMRDFKRYIYULAD-IBGZPJMESA-N	360.417	3.083	30	40	FGEB	
CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@](O)(c2ccc(Cl)cc2)C1	408564289	XYGBUVLKDSYJNG-LJQANCHMSA-N	369.808	3.044	30	40	FGEB	
C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1	4137548	QNTKWWCTLUNNQF-CQSZACIVSA-N	366.446	3.008	30	40	FGEB	
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C1\C(=O)Nc2ccc(F)cc21	4303028	MLTPGPWPADYISS-YPKPFQOOSA-N	357.341	3.179	30	40	FGEB	
CC(/C=N/n1c(S)nnc1-c1[nH]nc2c1CCC2)=C\c1ccccc1	9356852	SNAPRHASIFSLGQ-WHVSFRINSA-N	350.451	3.383	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)NCCSc1ccc(Cl)cc1	7688711	LHDPDFQVXXXQCE-UHFFFAOYSA-N	352.868	3.282	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(OC)c2)s1	225740852	RJLDCFJQWDMKCG-JTQLQIEISA-N	351.453	3.231	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(C(=O)OC)cc3)C2=O)s1	137838307	HNMQZCLVYYGGOP-CUPSUJSXSA-N	373.459	3.305	30	40	FGEB	
Cc1cc(Br)cc(Br)c1OC(C)(C)C(=O)NO	226290821	GTTPCIVPDUPKHC-UHFFFAOYSA-N	367.037	3.183	30	40	FGEB	
C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1	225099410	OELGGTGWOKEAHQ-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CC	223049254	IGCBEBIYNXJSOF-FQEVSTJZSA-N	350.462	3.339	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@@]3(C)[C@H]1C2	252516564	UHNRJNAOOCIDDJ-ICEGZTQRSA-N	360.450	3.164	30	40	FGEB	biogenic,in-vitro
N#Cc1c(C(F)(F)F)cc(Cc2ccccc2)nc1SCC(N)=O	664869	DTVVCDYSSKHXKK-UHFFFAOYSA-N	351.353	3.140	30	40	FGEB	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1C	4548456	UTKWBRYTKZBMSB-UHFFFAOYSA-N	373.796	3.155	30	40	FGEB	
N#Cc1ccc(F)c(COC(=O)c2ccc(OCC(F)(F)F)nc2)c1	14169676	KJKOIQMCAWBCGZ-UHFFFAOYSA-N	354.259	3.390	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(F)cc1)n1ncnc1N2	9483809	HBTMUKJDSLVJGB-SGTLLEGYSA-N	350.353	3.426	30	40	FGEB	
N#Cc1ccc(COC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1	7593999	MAKNUZBMJZAZBK-UHFFFAOYSA-N	354.431	3.215	30	40	FGEB	
C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1ccccc1	8748469	FFZJRXBQASNNGE-MRXNPFEDSA-N	350.447	3.450	30	40	FGEB	
N#Cc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1	21355463	WNOSODNIOPZXKS-UHFFFAOYSA-N	360.373	3.454	30	40	FGEB	
C[C@H](C(O)=Nc1nc2c(s1)CN(C)CC2)n1ccc2ccccc2c1=O	329869203	YLRKYDLPFOYXTA-GFCCVEGCSA-N	368.462	3.295	30	40	FGEB	
C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(c2cccc(Cl)c2)CC1	57290139	YBMZVHOWGVQEDJ-OAHLLOKOSA-N	368.868	3.361	30	40	FGEB	
CCOc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(Cl)c1	6078645	OMXKBSNPDNGRGV-KEBDBYFISA-N	363.870	3.485	30	40	FGEB	
C=CCOC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(F)c(F)c1	2055747538	FRALGLFCGCHCOD-LJQANCHMSA-N	374.435	3.268	30	40	FGEB	
COC(=O)/C(O)=C/C(=O)c1ccc(Br)c(Br)c1	100965750	WAIZXFRISFDKKR-YHYXMXQVSA-N	363.989	3.009	30	40	FGEB	
COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccc(F)cc1)N(C)CC3)OCO2	20111931	UVBUMIIKYMCXBC-AABCQZNVSA-N	372.396	3.361	30	40	FGEB	biogenic
CC(C)Oc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1	3137234	DCTSFCHSIJDBJM-KRWDZBQOSA-N	367.430	3.456	30	40	FGEB	
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c1C#N	19942600	BSNTVEHZZKZIAV-UHFFFAOYSA-N	367.352	3.305	30	40	FGEB	
Cc1nc(CSCC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)cs1	48302843	RIVZGOQYKOFRJI-UHFFFAOYSA-N	351.379	3.500	30	40	FGEB	
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1cccc(C(F)(F)F)c1	14143563	GXXKDDXEYFMRNQ-UHFFFAOYSA-N	373.338	3.459	30	40	FGEB	
C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1cccc([N+](=O)[O-])c1	4712960	XBDGCVGGKGPMCW-DDLUMYACSA-N	368.418	3.149	30	40	FGEB	
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)s1	5784509	UMOBPIIFAUUBFM-QMMMGPOBSA-N	355.876	3.304	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1Cl	409077687	FVSAOZHOJKLTPD-LCYFTJDESA-N	369.273	3.473	30	40	FGEB	
O=C1/C(=C\c2ccc(OC(F)F)cc2)CS(=O)(=O)c2ccccc21	96400363	JBNDBROCTDUKDY-XFXZXTDPSA-N	350.342	3.342	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC[C@H](COc3cccc(C)n3)C2)n1	1889111390	KFRYTSNXUNQJOA-AWEZNQCLSA-N	355.467	3.069	30	40	FGEB	
CC(C)(C)c1ccc(-c2nc(C#N)c(N[C@H]3CCS(=O)(=O)C3)o2)cc1	27562481	KDEGIPZVVDCMEG-AWEZNQCLSA-N	359.451	3.110	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N2CCN(c3ccccc3)CC2)n1	936514	TWJQSEVTJODOBY-UHFFFAOYSA-N	366.490	3.011	30	40	FGEB	
CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1	20849346	JUAMNPLKFFPNPV-PYCFMQQDSA-N	358.300	3.342	30	40	FGEB	
N#Cc1ccsc1NC(=O)c1ccccc1I	2692903	OIAMCRNSDOSONF-UHFFFAOYSA-N	354.172	3.477	30	40	FGEB	
CN1/C(=C\C(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21	102854307	DYDSKVFMHMQEMG-UYRXBGFRSA-N	359.433	3.221	30	40	FGEB	
C#CCOc1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1	36365868	GNSCFFCOELOKBK-HNNXBMFYSA-N	369.446	3.115	30	40	FGEB	
COc1cccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c1OC	12880185	LYVPIBWEVSETIV-NVMNQCDNSA-N	354.358	3.288	30	40	FGEB	biogenic
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1	4902968	JLMYQPWRMNPTRR-HNNXBMFYSA-N	373.206	3.333	30	40	FGEB	
C=CCN1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1	67284818	NWOIJFUTSWOLFO-UHFFFAOYSA-N	353.857	3.358	30	40	FGEB	
N#Cc1ccccc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1	409352316	BXMNPXKCCANBJQ-UHFFFAOYSA-N	356.341	3.116	30	40	FGEB	
CN(C)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1	5585842	QMEYMFNBLUGMLV-CIAFOILYSA-N	367.840	3.398	30	40	FGEB	
COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccccc2)ccc1OCC#N	6763268	VQJQNDIXRVUUJD-GDXASINISA-N	365.385	3.425	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(SC)cc1	44916550	NURAZRDEPZRDDZ-QGZVFWFLSA-N	369.446	3.414	30	40	FGEB	
C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)Nc1ccc(Cl)cc1	21425583	VVVUNQGQHXFVMU-SECBINFHSA-N	357.826	3.180	30	40	FGEB	
CN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccccc1	13423917	XITDTOONWALHJT-MEUCICPISA-N	357.410	3.416	30	40	FGEB	
Cc1ccc([N+](=O)[O-])cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N	5009231	UABZEBRIHSDIOO-UHFFFAOYSA-N	366.402	3.230	30	40	FGEB	
N#CC1(NC(=O)COC(=O)c2cc3ccccc3cc2O)CCCCC1	5079335	IZOLKTDDROZXPB-UHFFFAOYSA-N	352.390	3.045	30	40	FGEB	
O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1	408865418	DGDQUKOPIBIROD-ZSOIEALJSA-N	359.338	3.331	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	218450144	STTNTPUHXVNITG-FHWLQOOXSA-N	359.422	3.230	30	40	FGEB	
Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCN(C)CC2)cc1	36293414	REMGKAYFVBMNRJ-UHFFFAOYSA-N	352.507	3.195	30	40	FGEB	
C=CCN1C(=O)[C@H](c2cccnc2)CC12CCN(Cc1ccoc1)CC2	96069598	ZGKMKOKSBYRHRW-IBGZPJMESA-N	351.450	3.211	30	40	FGEB	
Cc1cc([N@@+](C)(CC(=O)N2CCCCC2)Cc2ccccc2)nc(C)n1	247654422	ONRIGRKBQQUHFF-RUZDIDTESA-N	353.490	3.243	30	40	FGEB	
CN1CCN(CC#C[C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1	20111514	SVAGWPUEXZOYPV-UNWVZKJWSA-N	368.521	3.335	30	40	FGEB	biogenic
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(F)cc2)cc1	19138054	JMIUOJBTPRJPRP-UGSOOPFHSA-N	369.392	3.093	30	40	FGEB	
C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc[nH]c3=O)n2)c1C	12741708	SJFYWCQGUFIMHW-UHFFFAOYSA-N	354.435	3.355	30	40	FGEB	
CCc1cc(N[C@@H](C)CC[S@@](C)=O)n2c(nc3ccccc32)c1C#N	76092970	PTWKAWWXMPNIMH-CANCMXDXSA-N	354.479	3.491	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1	3316883	CLBFOGQACKTABL-UHFFFAOYSA-N	365.414	3.282	30	40	FGEB	
N#Cc1c(O)nc(N2CCN(Cc3ccccc3)CC2)nc1-c1ccccc1	9042934	PYDYJKXNJBHFEE-UHFFFAOYSA-N	371.444	3.043	30	40	FGEB	
N#Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2n(c1=O)CCS2	5270003	LONUNNLFFXXCQD-UHFFFAOYSA-N	361.426	3.467	30	40	FGEB	
CCCCCCCCCCC[C@@H]1N=C(N)NC(CCCO)=C1C(=O)OC	72138630	BWFIOIDJTVTWPS-INIZCTEOSA-N	367.534	3.393	30	40	FGEB	
CC[C@@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409406182	QCDPIXJYGQRBBY-ZBERQUOHSA-N	368.433	3.014	30	40	FGEB	
Cn1c(SCCCOc2ccc(C#N)cc2)nc2sccc2c1=O	40127312	RMPQROBGEPTABK-UHFFFAOYSA-N	357.460	3.428	30	40	FGEB	
N#C[C@@H](C(=O)CCCNCCc1ccccc1)c1nc(O)c2ccccc2n1	25328877	GUMYGGASXISCBB-SFHVURJKSA-N	374.444	3.124	30	40	FGEB	
N#Cc1ccc(OCCCNc2ccc3nc4n(c(=O)c3c2)CCC4)cc1	84383992	MGWJAVUOPYKJBI-UHFFFAOYSA-N	360.417	3.095	30	40	FGEB	
COc1ccc(Cl)cc1/C=C\C=N\c1ccc(S(N)(=O)=O)cc1	16920243	BPYINGGETDQRCD-OTSRNVLMSA-N	350.827	3.412	30	40	FGEB	
CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@@]21C)OCCO6	4073589	NRUIWWWJNIPUBD-XZJZWBLTSA-N	370.489	3.332	30	40	FGEB	biogenic,in-vitro
COc1ccc(O)c(/C=N\CC(C)C/N=C/c2cc(OC)ccc2O)c1	101206806	WOIXKQMPNSNVGG-VZHHCOETSA-N	356.422	3.289	30	40	FGEB	
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	100420976	ZGAHLNIDBUQCQV-HIFRSBDPSA-N	364.401	3.063	30	40	FGEB	
Cc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1	102876716	AEMLZXYVYAUVIO-IBOXJLQUSA-N	361.357	3.004	30	40	FGEB	
Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc(-c2ccccc2)cc1C#N	77687572	MWWVGISMCXXKAE-UHFFFAOYSA-N	364.430	3.459	30	40	FGEB	
C=CCN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1	854203	RGYKZODYAPTEJA-UHFFFAOYSA-N	367.858	3.137	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(F)c1)N1CCCN(c2ccccc2C#N)CC1	52801199	PPAJLUPKDQXHIY-MRXNPFEDSA-N	366.440	3.237	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c1C#N	5001094	GMEQBWYZQPGMEQ-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
COc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c([N+](=O)[O-])cc1OC	4387431	QTNYUZBOQSENMV-UHFFFAOYSA-N	361.741	3.389	30	40	FGEB	
COc1ccc(/C(C)=N/OCC(=O)/N=c2\[nH]c3ccccc3s2)cc1	9460900	ZXWCOUXDJRKMBX-CIAFOILYSA-N	355.419	3.106	30	40	FGEB	
CCOC(=O)[C@@H](Sc1cc(C)c(C#N)c2nc3ccccc3n12)C(C)=O	5646067	HWXJHVIZHJIWND-KRWDZBQOSA-N	367.430	3.280	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1	7779602	IOHOBTKUCIZJHL-UHFFFAOYSA-N	361.323	3.488	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1C#N	409411512	IFGVIDYXAXURJB-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	225659780	GLBVMFYOFSNHPH-FGTMMUONSA-N	359.834	3.297	30	40	FGEB	
Cc1cccc(C(=O)N2CCN(c3oc(-c4ccccc4)nc3C#N)CC2)c1	12418217	NWCQBZPZBQGNCS-UHFFFAOYSA-N	372.428	3.484	30	40	FGEB	
COc1ccc(-c2nc(NCc3ccccc3OC)nc(O)c2C#N)cc1	40129971	BERHVOUURHJRGP-UHFFFAOYSA-N	362.389	3.350	30	40	FGEB	
COc1c2c(cc3c1[C@H](C/C(=N\O)c1ccccc1)N(C)CC3)OCO2	20112935	FBWKJYJCSSZORR-WASCAKKMSA-N	354.406	3.222	30	40	FGEB	
C[C@](C#N)(NC(=O)CSc1ncnc2sc3c(c12)CCC3)C1CC1	6112693	VFKJLTHTNXHSKK-QGZVFWFLSA-N	358.492	3.081	30	40	FGEB	
C[C@@H](NC(=O)COC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2	6637828	IYPIIZDFSRHIII-YMXMSLLWSA-N	366.461	3.436	30	40	FGEB	
CC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C	409112010	BHEXJQGOUNHSIW-UHFFFAOYSA-N	360.464	3.268	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O	409127536	NPULMJAVZIHNPG-FOWTUZBSSA-N	366.373	3.202	30	40	FGEB	
Fc1ccc(OCc2ccc(/C=N/n3cnnc3S)o2)c(Cl)c1	36611083	AGXVLZVVHLXFSD-NGYBGAFCSA-N	352.778	3.414	30	40	FGEB	
CCOc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)c(OCC)c1	33295677	YVBQUWQYCXHWIS-UYRXBGFRSA-N	362.451	3.105	30	40	FGEB	
O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1	102864164	NRYHKZBHYZKEHR-DLBSFMOSSA-N	369.442	3.349	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@@H]1Cc1cccc(Cl)c1	57527544	QOHKNBZNNUXRQM-GDXCHIGESA-N	359.838	3.210	30	40	FGEB	
COc1ccc(-n2ccc(C(=O)N(CCC#N)Cc3ccco3)n2)cc1	58215164	NYNGPZYTJNJMLC-UHFFFAOYSA-N	350.378	3.030	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)=O)cc1	19535684	GOYJMBVSXMKOAK-IBGZPJMESA-N	369.417	3.143	30	40	FGEB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=S)Nc1ccccc1	6182523	QXBSTUHXJAIUAD-XDHOZWIPSA-N	351.435	3.207	30	40	FGEB	
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccncc1)c1ccco1	6423969	VQQOJFLMPFXVFN-LJQANCHMSA-N	374.396	3.496	30	40	FGEB	
COc1ccc(/C=C/c2c(C#N)nn(-c3ccc(C)cc3)c(=O)c2C#N)cc1	1083087	WUCXTNJDDOLSHF-KPKJPENVSA-N	368.396	3.463	30	40	FGEB	
Cc1ccc(C)c(/C=N/N(CCC#N)C2=NS(=O)(=O)c3ccccc32)c1	5744429	WCXUIMOIIVRPMG-FYJGNVAPSA-N	366.446	3.002	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cc(C)ccc21	100875067	LGOAKULHPWXZCZ-MRCUWXFGSA-N	366.442	3.403	30	40	FGEB	
CC[C@]1(C)NC(=O)N(/N=C/C(Br)=C/c2ccccc2)C1=O	20934715	DMCGVMZJQZEXRZ-GFIPCETFSA-N	350.216	3.129	30	40	FGEB	
Cn1cc(-c2cccc(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2)cn1	108152672	OXABWJLWUVTJIM-QHCPKHFHSA-N	371.488	3.297	30	40	FGEB	
N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(=O)O	3407805	KJYXJDLBRUWRNF-UHFFFAOYSA-N	372.349	3.441	30	40	FGEB	
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2cccs2)CC1	14158423	DRVUJIGHLHKORH-LKGOPFMKSA-N	355.438	3.309	30	40	FGEB	
C=CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC	4698984	IAMZSOABTMVBJC-FOWTUZBSSA-N	350.374	3.357	30	40	FGEB	
N#Cc1cccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1	68140649	LRAHSUQSFTWJQM-UHFFFAOYSA-N	352.781	3.234	30	40	FGEB	
COCc1nc([C@H]2CCCCCN2C(=O)Nc2cccc(C#N)c2)no1	95999057	STQSZLKEIAMJES-OAHLLOKOSA-N	355.398	3.237	30	40	FGEB	
CC1CCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)CC1	225858378	XTYOZBUSLJASET-UHFFFAOYSA-N	370.884	3.445	30	40	FGEB	
N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1	48332154	ACPCSQKHBUFKPB-UHFFFAOYSA-N	369.368	3.205	30	40	FGEB	
Cn1cc(C(O)=Nc2cncc(-c3nncn3C)c2)c(C2CCCCC2)n1	328672086	HWPOAMKLKHSSLT-UHFFFAOYSA-N	365.441	3.295	30	40	FGEB	
N#Cc1ccccc1N1CCN(C(=O)CCc2cccc3cnccc23)CC1	1182393773	SLHXRXQWFGMEGZ-UHFFFAOYSA-N	370.456	3.388	30	40	FGEB	
CC(=O)C1=CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C	1569999108	XFTWQKLXXOBFBZ-QGYXVZHVSA-N	362.416	3.431	30	40	FGEB	
COc1ccc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c(OC)c1	6032880	SITAPRSEDPVTLI-ODLFYWEKSA-N	354.435	3.442	30	40	FGEB	
C=CCn1cnnc1SCc1nnc(-c2ccc(Br)o2)o1	23295495	HWGJADMIJZXWCZ-UHFFFAOYSA-N	368.216	3.162	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)O[C@@H](C)C#N)c2)c1	20024326	AQPJZCQCZNPXBC-AWEZNQCLSA-N	358.419	3.173	30	40	FGEB	
COc1cc(-c2c(C#N)c(N)nc3c2C[C@H](C)CC3)cc(OC)c1OC	20533440	IXPZUVBNXOBOEB-LLVKDONJSA-N	353.422	3.353	30	40	FGEB	
CC1=NN(C)C(=O)/C1=N/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	101389348	ZCRVSOWDCPENNV-UFFVCSGVSA-N	352.238	3.340	30	40	FGEB	
O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1	102797720	GIPQQEWKPXFLPQ-MNWMYKRDSA-N	369.427	3.226	30	40	FGEB	
Cc1ccc([C@@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	836900	MDCFNRHICQYKAN-QGZVFWFLSA-N	353.340	3.500	30	40	FGEB	
CCNC(=S)N/N=C/c1cccn1-c1cccc(Br)c1	106373866	CXRXDOOXSUVSJB-LICLKQGHSA-N	351.273	3.058	30	40	FGEB	
C[C@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)NC1(C#N)CCCCC1	24166533	RNPGWMPNWFBIPK-LSDHHAIUSA-N	360.479	3.442	30	40	FGEB	
C=CCNC(=O)Nc1ccc(NC(=O)CSCc2ccncc2)cc1	58063209	ZRFZFBFMCGQHGF-UHFFFAOYSA-N	356.451	3.261	30	40	FGEB	
C=CCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@H](C)c1ccccc1	217437712	MHLHWJKHEUZBQC-CYBMUJFWSA-N	360.435	3.022	30	40	FGEB	
C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)cc1	224691801	SFNCCBLLVAMCOY-UHFFFAOYSA-N	359.447	3.471	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN(C)c2ccn(C)n2)n(C2CCCCC2)c1C	580355008	TXBXRLWCHAYTFR-UHFFFAOYSA-N	368.485	3.290	30	40	FGEB	
C[C@@H](CC#N)N(C)C(=O)c1cc(Cl)ccc1I	78421177	YQKUNPAKEVIRSD-QMMMGPOBSA-N	362.598	3.319	30	40	FGEB	
NC(=S)N/N=C/c1ccccc1OCc1ccc(Br)cc1	6132879	HEXGGEMQEWSEAR-GIJQJNRQSA-N	364.268	3.195	30	40	FGEB	
O=C1C[C@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	17027733	TWUKYMCRUYZZAY-ZUOKHONESA-N	374.400	3.105	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc(OCC)cc2)sc2cccc(OC)c21	100910359	FNUWQSLAHYFXRV-MRCUWXFGSA-N	366.442	3.484	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@H]2c1ccc(Cl)cc1	40286736	GNMGLJLYYMHPFS-INIZCTEOSA-N	370.840	3.294	30	40	FGEB	
Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)cc1	102609683	UWOLXZPGOLLWRL-HVESIFNPSA-N	371.820	3.062	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1	102881940	IUCSIOARAYNGLO-SELCWUDQSA-N	351.402	3.145	30	40	FGEB	
N#C[C@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(F)cc1	3319627	URRUOJAXGXTRJV-CQSZACIVSA-N	361.785	3.461	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1	4435944	BOQFNXMLIUAFRU-ORAYPTAESA-N	362.389	3.295	30	40	FGEB	
CC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1	408732764	YNIZAIQRLXMFAX-MRXNPFEDSA-N	357.391	3.487	30	40	FGEB	
COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1	72242113	QJWGNLBQEHYBDU-ICSRJNTNSA-N	363.417	3.115	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	218485600	VPNHDICAGDPECL-KSZLIROESA-N	359.834	3.297	30	40	FGEB	
C#CCOC(=O)c1cc(Cl)c(OC(=O)c2ccc(OC)cc2)c(OC)c1	226307365	PBGMZOOIHFBUKH-UHFFFAOYSA-N	374.776	3.366	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2ccc(C#N)cc2)CC1	1849456177	OGSFOBRMQJWUBZ-UHFFFAOYSA-N	372.472	3.489	30	40	FGEB	
C[C@]12OC(=N)[C@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1	4451464	RHQCNXVWUHSVNE-YTXYEVPYSA-N	358.357	3.402	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/O[C@@H](C)C(=O)N2CCc3ccccc32)cc1	22195155	KKKFDZLJBJXAOO-FVQJWRHTSA-N	365.433	3.363	30	40	FGEB	
C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21	915190	KFANZVMLEOEDDT-HSZRJFAPSA-N	355.393	3.280	30	40	FGEB	
CC1=C(C)SC(=C2N/C(=N/N=C3\C(=O)Nc4ccccc43)N=C2O)S1	57370375	PEIJLTNDLIGKKB-UHFFFAOYSA-N	371.447	3.159	30	40	FGEB	
CNC(=S)N[C@H](/N=C(\OC)c1ccc(C)cc1)C(Cl)(Cl)Cl	100297726	ABWLGLRTOITLDW-TZQXVGBESA-N	368.717	3.178	30	40	FGEB	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1	14373954	KWZVLCBISPIWNV-AWEZNQCLSA-N	352.413	3.186	30	40	FGEB	
Cc1ccc(C)c(/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	4738541	JMNKJSCSPUXXRJ-SBUZPKSBSA-N	353.353	3.044	30	40	FGEB	
C/C(=N\NC(=S)NC[C@@H]1CCCO1)c1ccc(N2CCCCCC2)cc1	5689789	CTSXLQXFVOBFEB-QZMYASAMSA-N	374.554	3.434	30	40	FGEB	
N#C/C(=N\Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1	16742366	OFOXSTHIKRXJFE-NBVRZTHBSA-N	364.224	3.172	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1	222435175	KZRWLZBZECZYPL-UHFFFAOYSA-N	374.462	3.208	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1	333911241	LMBNYBYIFFESEC-IBGZPJMESA-N	368.458	3.101	30	40	FGEB	
Cc1ccc(CNC(=O)C2CCN(c3snc(C)c3C#N)CC2)cc1	587990277	PQQYKEDVNSJACY-UHFFFAOYSA-N	354.479	3.164	30	40	FGEB	
CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)nc1	89269773	NIZFJBNIGDUQFE-VMPITWQZSA-N	356.397	3.352	30	40	FGEB	
Cc1cccc(NC(=O)C[C@H]2S/C(=N/c3nccs3)N(C)C2=O)c1	13151743	CFZTVNPUPMJBGS-OHEASWGXSA-N	360.464	3.042	30	40	FGEB	
CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(F)c1	662504	LVOBSZDVQIDTCD-HNNXBMFYSA-N	363.360	3.208	30	40	FGEB	
CN(CCOc1ccccc1F)CC(=O)Nc1cc(Cl)ccc1C#N	8724179	DPFIFVOMJJMKMI-UHFFFAOYSA-N	361.804	3.300	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)c2ccccc2F)CC1	52243718	WOBXYBBRRUSVGI-UHFFFAOYSA-N	368.368	3.322	30	40	FGEB	
C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1	17207584	MEJZEQIGOINDOM-UHFFFAOYSA-N	354.435	3.337	30	40	FGEB	
CCOc1ccc(OCCN2C(=O)CS/C2=C/C(=O)C(C)(C)C)cc1	96514088	ANNOKTYAZMWTCR-LDADJPATSA-N	363.479	3.496	30	40	FGEB	
CCOC(CO/N=C(/N)c1ccc(Oc2ccc(F)cc2)nc1)OCC	97104219	BIQLTPXPCHHGDV-UHFFFAOYSA-N	363.389	3.049	30	40	FGEB	
CC(C)Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1CCCC2	20573645	JGDYAKNLTKGMTO-UHFFFAOYSA-N	368.525	3.335	30	40	FGEB	
COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(C#N)cc1	956240	RNZIIGHHNPMGEH-GOSISDBHSA-N	371.400	3.279	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1	24034410	ZSURIOBQFNNUSA-LJQANCHMSA-N	354.406	3.465	30	40	FGEB	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccc[nH]2)cs1	24050725	VEOACBPDGJVICH-UHFFFAOYSA-N	368.466	3.437	30	40	FGEB	
CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC	53292050	SLOVGQUYIKRSQK-UHFFFAOYSA-N	352.504	3.286	30	40	FGEB	
N#CCn1c(CN2CCC[C@@H]2c2cccs2)nc2ccccc2c1=O	53096094	WJUPZNPFOPKYFI-MRXNPFEDSA-N	350.447	3.319	30	40	FGEB	
CCN1C[C@H](CN(C)C(=S)Nc2ccccc2C#N)Oc2ccccc21	84779968	QEGFPXKLBGYKHL-INIZCTEOSA-N	366.490	3.474	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3cccc(C)c3)C(=O)NC2=S)cc1	408756940	UUDDMAKDXWZMQQ-YODDIOPGSA-N	351.431	3.070	30	40	FGEB	
COc1cc(/C=N\N2C(=O)CSC2=S)ccc1OCc1ccccc1	13957602	WVGGHFIHAJSXFZ-GRSHGNNSSA-N	372.471	3.468	30	40	FGEB	
Cn1c(SCc2cn3ccccc3c2C#N)nc2ccsc2c1=O	14183513	VIWJEKXFVMCYHC-UHFFFAOYSA-N	352.444	3.412	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C)cc2)cc1	5409102	VXVTYLYYFULURX-DNVCBOLYSA-N	365.429	3.263	30	40	FGEB	
COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(C#N)cc2OC)c1C	5629718	MPSOJSVSIZZFJO-CQSZACIVSA-N	356.422	3.454	30	40	FGEB	
COc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)O)c(OC)c1)C2=O	96792361	IKZQFLVXDHEIJG-OQLLNIDSSA-N	368.385	3.380	30	40	FGEB	
N#CCc1ccc(NC(=O)CNc2ccccc2[C@H](O)C(F)(F)F)cc1	95992778	ZISPIKSXGYXLMS-KRWDZBQOSA-N	363.339	3.399	30	40	FGEB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/Nc1ncccc1[N+](=O)[O-]	409101282	AXGMAVIHNPYFIT-UDWIEESQSA-N	371.397	3.053	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@H]2N[C@@H](C(=O)O)CS2)c2ccccc21	408811920	MBIBZALOMNNSFP-MJGOQNOKSA-N	363.442	3.349	30	40	FGEB	
C#CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1	408936269	OYNQYWJPQXFPJW-PDGQHHTCSA-N	366.804	3.445	30	40	FGEB	
COc1ccc(C(=O)/C=C/Cc2cc(OC)c3c(c2OC)OCO3)cc1	66091423	DFBNFRPJWLUZDU-GQCTYLIASA-N	356.374	3.423	30	40	FGEB	
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224776681	VIMAXIMGWIMFST-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
CC1=C(N/N=C2\C=CC(=O)c3cccnc32)C(=O)[C@@H](c2ccccc2)[C@H]1C	1554504459	VGYKTUPATMEDJC-ZJYXUIBWSA-N	357.413	3.404	30	40	FGEB	
C=CCn1c(O)c(C(=O)Nc2ccccc2OC)c(=O)c2ccccc21	5486252	RILWKFUVZOCXDV-UHFFFAOYSA-N	350.374	3.154	30	40	FGEB	
CCOC(=O)c1ccc(C#N)c(SCCOc2ccc(C#N)cc2)n1	32899302	RZBRIBOPXPQXJP-UHFFFAOYSA-N	353.403	3.173	30	40	FGEB	
CC1=CC(=O)C=C(C)C1=NS(=O)(=O)c1ccc(Br)cc1	3120920	LRMYZUKQZPMTNO-UHFFFAOYSA-N	354.225	3.054	30	40	FGEB	
COc1cccc(COC[C@H](O)CSc2nc(C)cc(C)c2C#N)c1	24098253	NDBHNBMLSHLIIG-INIZCTEOSA-N	358.463	3.249	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	102863857	DIVBFZJDJYQMDC-HVESIFNPSA-N	371.820	3.408	30	40	FGEB	
C#Cc1cccc(NC(=S)N2CCC(n3cccc3C(=O)OC)CC2)c1	72282638	MERNMYMYCGKXSN-UHFFFAOYSA-N	367.474	3.290	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nc2ccccc2n1C	58325117	VMGQELOOVPNYDG-UHFFFAOYSA-N	359.389	3.067	30	40	FGEB	
C=CCn1c(=O)c2ccccc2n2c(SCc3ccccc3C#N)nnc12	3542512	WLKDICMUTKMYCZ-UHFFFAOYSA-N	373.441	3.394	30	40	FGEB	
O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccccc2O)cc1	20060618	SIUNGHNIDISYTE-UDWIEESQSA-N	353.403	3.339	30	40	FGEB	
N#Cc1c(/C=C/c2ccco2)c(C(=O)O)nn(-c2ccc(Cl)cc2)c1=O	409205938	RLSXCRURIXVJKW-BQYQJAHWSA-N	367.748	3.219	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C)cc2)cc1	5409114	VXVTYLYYFULURX-KXBFYZLASA-N	365.429	3.263	30	40	FGEB	
CN1C(=O)/C(=C/c2cccc3nccnc23)S/C1=N\c1nccs1	13729026	JXUDNJAUOLJRLE-POEOXCNASA-N	353.432	3.320	30	40	FGEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1	20191429	QSXKXCZHMGCWST-MRXNPFEDSA-N	374.462	3.261	30	40	FGEB	
Cc1cccc(N2CCN(CCNc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1	31577184	RYLBQYSGXWSEEL-UHFFFAOYSA-N	365.437	3.009	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	102926098	OLLJVTYSLCHABK-SELCWUDQSA-N	369.392	3.202	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(C)cc1	102927078	FQZXDKYWSFMNQS-LFVOPCPISA-N	365.429	3.453	30	40	FGEB	
C#CCN(C/C=C/c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C)cc1	633642	WTHMDAJLYCCUQB-SNAWJCMRSA-N	350.443	3.204	30	40	FGEB	
COc1ccc([C@@]2(C(F)(F)F)NC(=O)C3=C(CC(C)(C)CC3=O)O2)cc1	836899	BMZDKWWOQOVMEE-QGZVFWFLSA-N	369.339	3.200	30	40	FGEB	
C=CCN(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1ccncc1	1365697	YDJZBKIROJJECV-HNNXBMFYSA-N	369.387	3.149	30	40	FGEB	
O[C@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@H]2c1ccc(Cl)cc1	5254701	AMIQPHHTWZOBRV-XUVXKRRUSA-N	367.836	3.276	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2c(O)ccc3ccccc23)[nH]n1	5458903	NDZRSAXLKRVWGL-GIJQJNRQSA-N	350.407	3.006	30	40	FGEB	
C#CCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21	4784648	NMYUZJRTFPJWHD-RNODOKPDSA-N	353.805	3.026	30	40	FGEB	
COC(=O)c1ccc(C(=O)NCCSCc2ccccc2C#N)cc1	7649090	LUUNMLGIWWWVEB-UHFFFAOYSA-N	354.431	3.008	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1ccccc1	39763143	JNJJHNJVAVGHRR-UHFFFAOYSA-N	351.435	3.257	30	40	FGEB	
C=CCc1ccccc1OC(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1	66088767	PKNNZJJWPYIMAJ-OUKQBFOZSA-N	351.358	3.214	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2ccc3nc(NC(=O)C(C)C)sc3c2)C(=O)O1	1547200918	ODXAKUOCWVQCKO-XYOKQWHBSA-N	371.418	3.216	30	40	FGEB	
CCOC(=O)CSCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	12261256	VBDYJCXIUHSISH-UHFFFAOYSA-N	363.483	3.327	30	40	FGEB	
Cc1sc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(C#N)c1C	24464479	BRVFVGJRFBRXLC-LBPRGKRZSA-N	369.446	3.379	30	40	FGEB	
COC1CC[C@@H]2CC[C@@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	101043029	YDOUAVFJRIGNQS-KSCSMHSMSA-N	350.484	3.245	30	40	FGEB	
C#CCN(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)CC(F)(F)F	95352070	YFLNNSPTOVIMIR-CQSZACIVSA-N	352.400	3.240	30	40	FGEB	
Cc1c(Br)cnn1CC(=O)Nc1sc2c(c1C#N)CCC2	2781746	OKPNGLLFVXNNKZ-UHFFFAOYSA-N	365.256	3.015	30	40	FGEB	
O=[N+]([O-])c1cccc(-n2cccc2/C=N/Nc2ncccc2[N+](=O)[O-])c1	409120336	VBQOTOZCZSERHL-WOJGMQOQSA-N	352.310	3.135	30	40	FGEB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1	5643763	OUWRHXJLUQIPSC-OAQYLSRUSA-N	367.449	3.305	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1	8391665	FMWMNQQIILTFHY-UHFFFAOYSA-N	356.495	3.482	30	40	FGEB	
CCc1ccc(-c2n[nH]c(SCC(=O)NC3(C#N)CCCC3)n2)cc1	8483787	TWQYGMLWGXEPLT-UHFFFAOYSA-N	355.467	3.079	30	40	FGEB	
CN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1(C#N)CCC1	97212403	GXVQYBIZBXZHHD-UHFFFAOYSA-N	350.300	3.274	30	40	FGEB	
O=C1CSC(=N/N=C/c2cccc(OCc3ccccc3Cl)c2)N1	409064666	FBNZGGLFBYJDOR-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1	253573163	RCHDMPRMBWWVRC-JOWZSANQSA-N	372.424	3.407	30	40	FGEB	
COC(=O)[C@@H]1CC[C@@H]2[C@@]34CCC5=CC(=O)CC[C@]5([C@@H]3CC[C@]21C)[C@H](OC)O4	254567559	RWKSXLXAGGNKPV-CWNVBEKCSA-N	374.477	3.413	30	40	FGEB	
Cn1ccnc1CN1CCC[C@@H]1c1csc(Nc2cc(C#N)ccn2)n1	585294827	KQNWSCDBLPPEKH-OAHLLOKOSA-N	365.466	3.224	30	40	FGEB	
N#Cc1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1	13725873	QMFFCULMYNOQIC-UHFFFAOYSA-N	364.474	3.369	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C#CCOc1ccc(F)cc1)N(C)CC3)OCO2	20112896	LSOSEYNMNBUNJZ-QGZVFWFLSA-N	369.392	3.174	30	40	FGEB	biogenic
O=[N+]([O-])c1ccc(N/N=C/c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1	7899978	RNPOOETYEDSCSG-VCHYOVAHSA-N	352.310	3.135	30	40	FGEB	
COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccc(F)cc1	58822834	OLZPKWSICPKPEU-DNTJNYDQSA-N	367.833	3.234	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C#N)[C@@H]3C2=O)cc1C	106535471	SBYZGZPMKFVJRF-XSDIEEQYSA-N	369.424	3.342	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)/N=C(\O)C2=Cc3cc(Cl)ccc3OC2)c1	48599340	OJINEVDSSNSTNI-UHFFFAOYSA-N	374.805	3.333	30	40	FGEB	
C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1	65453445	JEYHGJAJEZPOTI-CYBMUJFWSA-N	364.434	3.166	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCC1CCCCC1	4947758	LEZAXQIYUVTLNM-UHFFFAOYSA-N	359.382	3.309	30	40	FGEB	
COc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ncnn21	9484308	MPDCINNACSVBEL-CWTRNNRKSA-N	362.389	3.295	30	40	FGEB	
CCCNc1nnc(SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1	7792287	ICOBEJNHHQVBMQ-SECBINFHSA-N	353.498	3.094	30	40	FGEB	
C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccco1)O2	5054559	IDFLOTIBAMZFNZ-DUPRYPCISA-N	358.357	3.402	30	40	FGEB	
CCOc1ccc(/C=N/OCC(=O)Nc2ccccc2OC)cc1OC	5397411	NPNKNSBBHCVXEQ-UDWIEESQSA-N	358.394	3.092	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)CSc3ccccc3)c2C#N)C1	5192192	JMWCVFVOVDVZBQ-UHFFFAOYSA-N	371.487	3.255	30	40	FGEB	
C=CCn1c(SCc2nnsc2Cl)nc2ccccc2c1=O	21672244	NUNGPYCXZJOBIJ-UHFFFAOYSA-N	350.856	3.380	30	40	FGEB	
CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1(C)C	47460772	AQAPCVIWQCEVEE-RDJZCZTQSA-N	368.481	3.311	30	40	FGEB	
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc(C#N)cc1	2195490	ACTZMRRUPVAZEJ-UHFFFAOYSA-N	363.377	3.120	30	40	FGEB	
Cc1cccc2c1[nH]c1nc(N/N=C\C=C\c3ccc([N+](=O)[O-])o3)nnc12	4714470	OHQPJKAEZFGIGN-MEUPZCFSSA-N	363.337	3.427	30	40	FGEB	
Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CCc3ccccc3)c2)c1	3324217	GKMNIDCITNCIMB-UHFFFAOYSA-N	358.397	3.208	30	40	FGEB	
N#Cc1ccc(CSC/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)cc1	48503688	JGSIRVLBTWPJKU-UHFFFAOYSA-N	371.443	3.009	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)n1	7782434	NJXMKITVNONDNA-RWUOKQAASA-N	358.463	3.243	30	40	FGEB	
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1	7779980	PYICUTYLFWPIRB-LREOWRDNSA-N	351.402	3.191	30	40	FGEB	
O=S(=O)(Oc1ccc(Br)cc1/C=N/O)c1ccccc1	409070241	NOWYHEQOMJRCQB-OQLLNIDSSA-N	356.197	3.025	30	40	FGEB	
Cc1cc(C(=O)N[C@H](c2cccnc2)C2CC2)nn1-c1cccc(C#N)c1	503674836	ZVXNFVUNEIIBLU-FQEVSTJZSA-N	357.417	3.329	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1	21925882	FOFYEGSGEUOUQA-UHFFFAOYSA-N	369.852	3.048	30	40	FGEB	
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C	651366	GYZIAUTWYDMOOF-MRXNPFEDSA-N	355.434	3.485	30	40	FGEB	
CC(C)NS(=O)(=O)Cc1ccccc1CNc1cccc(F)c1C#N	48353809	XEWHETNTDJVZCH-UHFFFAOYSA-N	361.442	3.137	30	40	FGEB	
Cc1ccc(C(=O)CC/C(O)=N/S(=O)(=O)c2sc(C)nc2C)cc1	83150629	YPBXXIXTDZGSOU-UHFFFAOYSA-N	366.464	3.377	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2c(C)nn(C)c2C)nc2ccccc21	6933441	ZCTZKONHFLOLIY-UHFFFAOYSA-N	355.467	3.303	30	40	FGEB	
CC(C)c1ccc(-c2nnn(CC(=O)N(C)C3(C#N)CCCCC3)n2)cc1	7544470	PKKRUZUHCYPJCL-UHFFFAOYSA-N	366.469	3.148	30	40	FGEB	
N#CCc1ccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1	7927465	CBTVEQOKRUAXOO-SFHVURJKSA-N	369.490	3.434	30	40	FGEB	
COC(=O)c1ccc(-c2ccc(/C=N/Nc3ncccc3[N+](=O)[O-])o2)cc1	409104710	HNKOHFRQCZIOHB-RGVLZGJSSA-N	366.333	3.482	30	40	FGEB	
C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl	224227362	YHQXTKXYRMDMKA-UHFFFAOYSA-N	364.854	3.081	30	40	FGEB	
CC(C)(C)c1cc(N2CCN(c3cccc(C#N)n3)CC2)nc(C2CC2)n1	1888843786	PZPPCVOCPPPVCI-UHFFFAOYSA-N	362.481	3.245	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(OC)c21	100910348	JPOCPRQVRVQGSL-VXPUYCOJSA-N	352.415	3.094	30	40	FGEB	
CCCN(Cc1ccc(C#N)cc1)C(=O)CCNC(=O)c1cccs1	32796982	USEJSEINQXXPNK-UHFFFAOYSA-N	355.463	3.178	30	40	FGEB	
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	4775918	XFOPTVJYFVBADW-HMXCVIKNSA-N	368.385	3.428	30	40	FGEB	
Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O	4980142	XBVOETKMOAKPGP-INIZCTEOSA-N	353.447	3.111	30	40	FGEB	
CS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C#N	3104741	WFAPOTJTYJUSRH-UHFFFAOYSA-N	370.764	3.146	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccncc1	1225111	UDSIFTVVMBQNMK-GOEBONIOSA-N	371.510	3.313	30	40	FGEB	
O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc(Cl)cc2)=C1O	9108936	ZNDAONXNALOKNG-AWEZNQCLSA-N	358.737	3.114	30	40	FGEB	
C#CCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1	20729427	DGNQCJGJDGKCRO-INIZCTEOSA-N	359.389	3.106	30	40	FGEB	
CCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2C#N)cc1	3372001	AGUXINLIVDJZHU-UHFFFAOYSA-N	351.406	3.058	30	40	FGEB	
CC[C@@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(OC)cc1)O2	101015751	GTRWMWKCKQQGHI-NHAHKUSKSA-N	350.378	3.060	30	40	FGEB	
C=CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1	3355685	BIBYKTKHFWIQCA-UHFFFAOYSA-N	358.463	3.119	30	40	FGEB	
C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1cccc(C#N)c1	12903533	IPAKOYVAFPGSRT-QGZVFWFLSA-N	362.477	3.271	30	40	FGEB	
C#CCn1c(-c2ccccc2)cc(C)c(S(=O)(=O)c2ccccc2)c1=O	4090570	IUWSMPKFVPAVAA-UHFFFAOYSA-N	363.438	3.290	30	40	FGEB	
COc1cc(COC(=O)COc2ccccc2C#N)ccc1OC(F)F	7313025	WVCPHIYMNSFBFC-UHFFFAOYSA-N	363.316	3.290	30	40	FGEB	
C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408868041	NFKJLPDHUXOZEV-OWBHPGMISA-N	366.348	3.057	30	40	FGEB	
C=CCOc1c(Br)cc(C(=S)N2CCOCC2)cc1OC	33728235	BYNCKMNFMMHFAT-UHFFFAOYSA-N	372.284	3.030	30	40	FGEB	
COc1ccc2c(c1)CCC[C@@H]2C/N=C(/O)[C@@H]1COCCN1CC(F)F	329525997	SVCLXQYWKQKKJZ-PBHICJAKSA-N	368.424	3.038	30	40	FGEB	
CCC/C(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1	4577133	JMRFPDABFMUJMN-NPNVKNKFSA-N	366.874	3.432	30	40	FGEB	
Cc1cnc(OC2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)nc1	594593150	ZLKXKQKGQWOHRO-UHFFFAOYSA-N	368.828	3.006	30	40	FGEB	
C[C@@H](Sc1nnnn1C1CC1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C	22756433	RRTVXJQSYMWFBQ-PBSOMRJOSA-N	369.494	3.369	30	40	FGEB	
N#Cc1ccccc1NC(=O)CCN1CCO[C@H](c2ccc(F)cc2)C1	23186594	BJEHVHOQRMQNQU-IBGZPJMESA-N	353.397	3.099	30	40	FGEB	
CC(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1C(=O)CC(C)(C)CC1=O	4832807	ZCZVKOMYOVOTAN-UHFFFAOYSA-N	367.449	3.129	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1	10365375	YOYATRRWWGMVQX-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
CC(=O)c1cccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)CCO3)c1	89331604	YNDUCZWJXXUNJF-SOFGYWHQSA-N	371.414	3.183	30	40	FGEB	
C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O	58215509	BRONBASKSCBESN-OAQYLSRUSA-N	372.384	3.180	30	40	FGEB	
N#Cc1ccc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(F)c1	11222580	HYJNRJLJOUATGI-GOSISDBHSA-N	355.394	3.042	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1ccc(Br)cc1	9260890	ZMTVFALWDGQGHN-CQSZACIVSA-N	374.242	3.094	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1Cl	5535851	NOKYTDZNBKZSHD-QMMMGPOBSA-N	357.266	3.404	30	40	FGEB	
C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O	6847614	SWOUPGIYMWEMDX-OAQYLSRUSA-N	372.384	3.180	30	40	FGEB	
Fc1ccccc1N1CCN(C[C@H](S)COCc2ccccc2)CC1	68730882	UEOHCWKRBPEAJU-SFHVURJKSA-N	360.498	3.463	30	40	FGEB	
C[C@H]1CN(c2ccccc2NC(=O)Nc2ccn(CCC#N)n2)C[C@@H](C)O1	97164655	FJVMJJXEBCECHF-GASCZTMLSA-N	368.441	3.054	30	40	FGEB	
N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[C@H](c2ccccc2)C1	256049324	ZIQCOZLHILNJKJ-HNNXBMFYSA-N	360.377	3.041	30	40	FGEB	
O=c1c(Cl)c(N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	5776063	YYMXPXMLQYTYLP-VXLYETTFSA-N	369.768	3.240	30	40	FGEB	
COc1ccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)cc1	4375259	ZENMHPOTIGKQQQ-UHFFFAOYSA-N	374.400	3.421	30	40	FGEB	
CN(CCC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1Cl	12819904	UQNLSURDVGGNEJ-UHFFFAOYSA-N	370.840	3.111	30	40	FGEB	
C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	14098357	OZORKPHDWOOVSG-UHFFFAOYSA-N	368.436	3.042	30	40	FGEB	
Cc1ccc(C)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1	14171220	OCGFNONRNIYCHV-FQEVSTJZSA-N	351.425	3.465	30	40	FGEB	
C[C@H](OC(=O)CCn1ccc2ccccc21)C(=O)Nc1cccc(C#N)c1	7223053	NFBWUYNYCXQBIK-HNNXBMFYSA-N	361.401	3.473	30	40	FGEB	
CCOc1ccc(-n2cccc2C=Nn2c(O)nc3ccccc3c2=O)cc1	409357380	IUNBGBZEFZPIKS-UHFFFAOYSA-N	374.400	3.174	30	40	FGEB	
COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1	225775084	CIASEJFAWHSIET-UHFFFAOYSA-N	354.381	3.393	30	40	FGEB	
COc1ccc(C(=O)/C=C2\Nc3ccc(Cl)cc3NC2=O)cc1OC	16227178	RBOYIHXJXQRCDT-ZROIWOOFSA-N	358.781	3.488	30	40	FGEB	
CCN(CC)CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1	5314071	OWWNAAMCUXPRHB-UHFFFAOYSA-N	365.433	3.258	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccc(OC)cc2)c1C#N	653770	VGLCEKRUEGIJGX-UHFFFAOYSA-N	357.435	3.148	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCN(c3ccc(Br)cn3)CC2)n1	29624946	VLTHZPQYBUYOIF-UHFFFAOYSA-N	372.270	3.054	30	40	FGEB	
COc1ccc([C@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1OC	102800967	DAUCMCJRHJUMPW-GHNGSUTGSA-N	367.401	3.064	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1OC	10819465	PFBPHURNDRKJDI-UHFFFAOYSA-N	363.417	3.376	30	40	FGEB	
O=C1CSC(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)=N1	59399011	BVUOYFANYDIRGM-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
CC[C@@H]1CO[C@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	12929051	VBTBVEARBLELLW-BFHYXJOUSA-N	361.511	3.182	30	40	FGEB	
C[C@H]1S/C(=N\S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O	13843467	YIIRFWXDYNUXOM-RKQLKTQESA-N	370.471	3.167	30	40	FGEB	
CC(C)(O)C#Cc1ccccc1/C=N/N=C/c1ccccc1C#CC(C)(C)O	4681544	VYCDBSUSIGQBBJ-RPCRKUJJSA-N	372.468	3.384	30	40	FGEB	
COc1cc(/C=N/OCC(=O)N2[C@@H](C)CCC[C@H]2C)ccc1OC(F)F	15979854	BINLHKHPIOQVJP-FZQSAYOTSA-N	370.396	3.437	30	40	FGEB	
N#Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2c1	96112283	OZXYISQUWXQOBQ-APWZRJJASA-N	368.387	3.313	30	40	FGEB	biogenic,in-vitro
Cc1nnc(/N=C2/S/C(=C\c3cccc4nccnc34)C(=O)N2C)s1	256055609	NAKMBJRIKDFEKF-HBQMXERUSA-N	368.447	3.024	30	40	FGEB	
N#Cc1ccc(N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)nc1	1776000642	CKJZNFRXFWMWPT-UHFFFAOYSA-N	357.417	3.018	30	40	FGEB	
O=C(/C=C\N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Br)cc1	16478670	AIKBTUCUFGFUCC-SNGWPZLWSA-N	374.234	3.431	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@@](O)(CC(C)=O)c2cccc(C)c21	9872690	ASSNMMUZBZBAGZ-JOCHJYFZSA-N	365.429	3.273	30	40	FGEB	
CC[C@@H](CNC(=O)CCc1ccc(C#N)cc1)N1CCc2ccccc2C1	32447103	ACTCETAPZYREKZ-QFIPXVFZSA-N	361.489	3.444	30	40	FGEB	
COC(=O)C(C(=O)CSc1ccc(F)cc1)=C1Nc2ccccc2N1	22844924	GIRBTWHOFRBFMA-UHFFFAOYSA-N	358.394	3.409	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc2c1O[C@H](C)C(=O)N2	104289310	KRZRNTKYHWSXHD-CQSZACIVSA-N	366.417	3.243	30	40	FGEB	
COc1ccccc1N(CCC#N)C(=O)c1cncc(Br)c1	3231133	HNTHWRGWYDLOED-UHFFFAOYSA-N	360.211	3.413	30	40	FGEB	
O=C1CSC(N/N=C/c2ccccc2OCc2ccccc2Cl)=N1	59482991	SMJYMHZIXMNJOC-DJKKODMXSA-N	359.838	3.472	30	40	FGEB	
CN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1	25866859	BOGCJSNENJRHGS-CQSZACIVSA-N	350.871	3.339	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1cc2ccccc2cc1O	3345939	HPQNRFINRZQSMY-UHFFFAOYSA-N	352.371	3.274	30	40	FGEB	aggregator
Cc1nc(-c2ccc(CNC(=O)COc3ccc(C#N)cc3)o2)cs1	12821235	TWXICWSVQPAJGP-UHFFFAOYSA-N	353.403	3.278	30	40	FGEB	
C/C(=N\Nc1ccccc1C(=O)O)c1ccc(N2CCOCC2)c(F)c1	13459309	NXMFEVCUYHWZOP-FYJGNVAPSA-N	357.385	3.197	30	40	FGEB	
COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1	4572986	WRUHFNOWONONRI-XOMICKMZSA-N	369.446	3.285	30	40	FGEB	
C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)Nc1cccc(C#N)c1	4890686	XZPRSPZSNKKBGS-GFCCVEGCSA-N	367.409	3.397	30	40	FGEB	
C=CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1	67245611	MPKVIVRIWOGTIN-UHFFFAOYSA-N	370.883	3.142	30	40	FGEB	
CCOCCN1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1CC	97164624	SPBLTVBTLICVPR-INIZCTEOSA-N	364.877	3.176	30	40	FGEB	
N#C[C@]1(C=O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252514069	BBVPMVVRZBBECS-ZACQAIPSSA-N	363.797	3.128	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1	578710738	AGBSZGFYTHTWBZ-HLIPFELVSA-N	374.456	3.411	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCCOc2cccc(C)c2)nc1N	32719329	GUBQMXDTPAUIMD-UHFFFAOYSA-N	357.435	3.192	30	40	FGEB	
Cc1cccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1	12418514	YIGCREMVLVMNGL-UHFFFAOYSA-N	362.389	3.077	30	40	FGEB	
Cc1nc(Cc2nnc(SCCOc3cccc(C#N)c3)o2)cs1	48353825	KSVJRZQDZBVRFG-UHFFFAOYSA-N	358.448	3.468	30	40	FGEB	
C(=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccccc1	3898554	CTGHKVXNRNJHDF-LTGZKZEYSA-N	365.485	3.298	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	4704653	FWXYDSDSRKILCU-RVDMUPIBSA-N	353.359	3.055	30	40	FGEB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1	5643760	OUWRHXJLUQIPSC-NRFANRHFSA-N	367.449	3.305	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1ccc(Cl)cc1	7777276	ZLRGYXHDWJCZJN-INIZCTEOSA-N	354.859	3.030	30	40	FGEB	
Cc1ccc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1	16150361	UXLSUFTWVYXILO-FQEVSTJZSA-N	365.502	3.496	30	40	FGEB	
CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)S1	36308428	WJBNLUQPWCSRSR-GFCCVEGCSA-N	357.838	3.051	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	222346241	RYZNRFOSCDAQJF-UEYQAXGDSA-N	372.424	3.235	30	40	FGEB	
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	96229957	RPQYIDQBEWMYRG-FQEVSTJZSA-N	357.454	3.260	30	40	FGEB	
CN(CCO)c1oc(-c2ccc(COc3ccccc3Cl)o2)nc1C#N	1775965037	RPTASYCRHCMMFY-UHFFFAOYSA-N	373.796	3.467	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])c1C#N	5986587	QBWHLINAVONXMZ-UHFFFAOYSA-N	372.406	3.047	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c(OC)c1	12662432	DAKAQBXQOLOACE-NVMNQCDNSA-N	369.373	3.380	30	40	FGEB	biogenic
C/C(=N\Nc1cc(-n2nc(C)cc2C)nc(C)n1)c1ccc([N+](=O)[O-])cc1	4595606	NRHCARAEOBUXMC-FYJGNVAPSA-N	365.397	3.332	30	40	FGEB	
C=CCn1c(SCCCS(=O)(=O)C(C)C)nnc1-c1ccoc1C	79102792	LOVJDONWBJXEDT-UHFFFAOYSA-N	369.512	3.338	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)/N=C(\O)c2csc(-c3ccccc3)n2)cc1	42303776	RXAOFOWTHWVULU-UHFFFAOYSA-N	369.427	3.375	30	40	FGEB	
COc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(OC)c1OC	55392744	PGSUHINUVWTFLE-CYBMUJFWSA-N	365.389	3.089	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)cc1	6819781	SIRWXHIYXJBENQ-YJBOKZPZSA-N	363.413	3.405	30	40	FGEB	
COc1ccc(-c2nc(/C(O)=N/S(=O)(=O)C3CCCC3)cs2)cc1	86055562	DDIPWFNDXDHGCC-UHFFFAOYSA-N	366.464	3.396	30	40	FGEB	
N#C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)C1	1615045377	SNDBBCKRYZBCQA-FFSVYQOJSA-N	351.809	3.254	30	40	FGEB	
Cc1ccccc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1	585101588	JCUOJHHYOFWYRI-JOCHJYFZSA-N	359.429	3.136	30	40	FGEB	
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccccn3)n2)cn1	585293003	BQTFHVKFMKGHHG-IBGZPJMESA-N	357.421	3.219	30	40	FGEB	
COc1ccc(-c2nnc(S)n2/N=C\c2ccc(OC)c(OC)c2)cc1	4680169	DVVZYVKFFQFGHO-ODLFYWEKSA-N	370.434	3.142	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1CC1CCN(Cc2cccc(C#N)c2)CC1	1888928978	YIQMROYYENDVNM-UHFFFAOYSA-N	372.472	3.489	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)NO)c3c2)c1	11615727	MTFMMRLPZKOMLX-UHFFFAOYSA-N	374.418	3.278	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC	19229018	DKNSNEPNNNVUAD-SFHVURJKSA-N	355.434	3.472	30	40	FGEB	
O=C1O[C@H](c2cccc([N+](=O)[O-])c2)/C(=C(\O)c2ccc(Cl)cc2)C1=O	102894027	ZXUMCKDJBBAFKA-OMACXJQVSA-N	359.721	3.385	30	40	FGEB	
CCc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-]	5335826	HQRYQDAEXXOGAH-QPJJXVBHSA-N	352.346	3.384	30	40	FGEB	
CCOC(=O)c1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1C	6599988	KMWJVOSROAYHPX-FXBPSFAMSA-N	350.378	3.054	30	40	FGEB	
COc1ccccc1OCC(=O)O/N=C(\N)Cc1cccc2ccccc12	4673251	ZPXPWQYWQFQQAW-UHFFFAOYSA-N	364.401	3.285	30	40	FGEB	
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2ccccc2c(Cl)n1	102063791	CORJXBCURKHLEZ-ZDUSSCGKSA-N	350.765	3.244	30	40	FGEB	
CN(C)/C=C(/C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccnc1	13997770	KDMIZALEGULYCL-WECAROLCSA-N	359.470	3.200	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](C)CC1=O)N2	19959587	ZTTGTBCAVBHXNU-HWPZZCPQSA-N	356.451	3.364	30	40	FGEB	
N#CCCN1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	20100869	UEMABZSQZIWFSS-UHFFFAOYSA-N	370.434	3.062	30	40	FGEB	
C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	101228449	XWISDSUUNWEYNQ-HVESIFNPSA-N	364.357	3.203	30	40	FGEB	
CC(C)CC[C@@H]1C[C@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	1901545	KMBZCPJMECMRIE-CXAGYDPISA-N	369.279	3.064	30	40	FGEB	
C(=N/Nc1cc(N2CCCCC2)nc(N2CCCCC2)n1)\c1ccncc1	4323063	HVUNAMTXYIVGSG-CJLVFECKSA-N	365.485	3.298	30	40	FGEB	
O=C(O)COc1ccccc1/C=C1\S/C(=N/c2ccc(F)cc2)NC1=O	4660154	TWDSWOZTOWLZGL-DHDCSXOGSA-N	372.377	3.181	30	40	FGEB	
COc1ccccc1NC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2	17206008	OIYFHPBRIZWWEA-UHFFFAOYSA-O	362.453	3.345	30	40	FGEB	
N#Cc1c(CN2CCC(C(=O)Nc3ccccc3O)CC2)cn2ccccc12	8704798	HMFRMWVKQQKFAW-UHFFFAOYSA-N	374.444	3.367	30	40	FGEB	
Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc5ccccc5n4)c(O)nc3c2c1	8770283	VNSLIJUYXHOSNS-SSDVNMTOSA-N	369.384	3.322	30	40	FGEB	
CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)c1	225969206	GFXCDPRTGXAWGY-UHFFFAOYSA-N	369.446	3.256	30	40	FGEB	
C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(-c2ccncc2)cc1	1616738777	QSHRVEZGCMDNFF-CQSZACIVSA-N	370.416	3.219	30	40	FGEB	
N#Cc1ccc(O[C@@H]2CCN(C(=O)C3CC(c4ccc(F)cc4)C3)C2)nc1	590001127	VXTJERPSMQSKRP-FAFZWHIHSA-N	365.408	3.266	30	40	FGEB	
CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CCC2)c1	47194193	DZFOTUOQORYZAK-LVZFUZTISA-N	363.483	3.018	30	40	FGEB	
COc1ccc([C@H](C(C#N)C#N)[C@@H]2C(=O)N(Cc3ccccc3)N=C2C)cc1	848853	ZGSADVBBLAYEOQ-NHCUHLMSSA-N	372.428	3.477	30	40	FGEB	
Cc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1	12590264	BFLOFMNXVFDFFS-LBPRGKRZSA-N	355.467	3.150	30	40	FGEB	
Cc1cc(N[C@H](C)C(=O)Nc2ccccc2C#N)ccc1N1CCCC1=O	10746676	KZHYOMGJIFZOEA-OAHLLOKOSA-N	362.433	3.433	30	40	FGEB	
Cc1cc(N2CCCC2)nc(N2CCN(Cc3ccccc3)CC2)c1C#N	71280560	RTHOIJKLVNSSAO-UHFFFAOYSA-N	361.493	3.184	30	40	FGEB	
CCOc1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1	5009219	JUAHFPXPUQHPJG-UHFFFAOYSA-N	351.431	3.412	30	40	FGEB	
C=CCN(CC=C)C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1	409129531	GYWRIOIWOQFONT-UHFFFAOYSA-N	370.434	3.156	30	40	FGEB	
COc1ccccc1N1CCN(c2ncc(Br)cc2C#N)CC1	323557909	ULOQMHHXDJWQOU-UHFFFAOYSA-N	373.254	3.051	30	40	FGEB	
N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2nccc3ccccc23)CC1	252551078	TYJRKMRLMYRXRE-WKILWMFISA-N	373.416	3.016	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc(F)c4)c(C)nc3c2c1	5033158	QUUJXFQUJKKQOT-UFFVCSGVSA-N	350.353	3.216	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccc(F)cc4Cl)[C@@H]3C2)nc1	1889122735	UTEDOMWXFBBVDF-MAUKXSAKSA-N	356.832	3.456	30	40	FGEB	
Cc1cc(C(=O)NC2(C#N)CCCC2)c2cnn(Cc3cccs3)c2n1	95356895	QOZDYBDWWRYQSB-UHFFFAOYSA-N	365.462	3.416	30	40	FGEB	
CC(C)[C@@H](C#N)NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O	95966816	FKQSPJACZBBCQX-OAHLLOKOSA-N	361.804	3.407	30	40	FGEB	
C#CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C	226278903	VWHBCFBXISGRQT-GFCCVEGCSA-N	368.355	3.356	30	40	FGEB	
COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)ccc1OCC#N	96121215	VSWBCYIIMDFQHU-SFQUDFHCSA-N	371.462	3.490	30	40	FGEB	
COc1ccc(C=Nn2c(S)nnc2-c2ccccc2)c(OC)c1OC	245241625	LMYJIBGEKYFRCA-UHFFFAOYSA-N	370.434	3.142	30	40	FGEB	
COc1ccccc1C1(CNc2nnc(C)c(C)c2C#N)CCOCC1	57150119	AAYNROYIPDXWOP-UHFFFAOYSA-N	352.438	3.134	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3CCN(c4ccc(C(F)(F)F)nc4)[C@@H]3C2)nc1	1889108909	AANJQCPJZZDOSM-DZGCQCFKSA-N	359.355	3.082	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cccc(C)c21	2715707	ZAMNHJFMRXEVHJ-MRCUWXFGSA-N	364.426	3.157	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C#N)C1	4275199	ACIHWGJHOCKZGS-SNAWJCMRSA-N	357.460	3.238	30	40	FGEB	
O=c1[nH]c2ccccc2c(=O)n1CC/C(O)=N/[C@H]1CCCc2ccccc21	6954034	CTXWHHFUNYNFAI-KRWDZBQOSA-N	363.417	3.114	30	40	FGEB	
Cc1ccc(-c2ccc(C#N)s2)cc1NC(=O)CN1CSCC1=O	56474649	PMKYNYATQPPXGT-UHFFFAOYSA-N	357.460	3.067	30	40	FGEB	
Cc1ccccc1[C@@H](C)NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C	13063195	LJUONUQGTLJJJQ-SAGYFLTASA-N	374.506	3.204	30	40	FGEB	
CC[C@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1	6671588	FWJKPDGWSNCZPX-GXFFZTMASA-N	353.875	3.363	30	40	FGEB	
N#Cc1ccc(C2=CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1	503955287	FQQDUQAQZXKEIC-UHFFFAOYSA-N	355.401	3.068	30	40	FGEB	
C[C@@H]1c2ncc(CCOCC3CC3)n2CCN1Cc1ccccc1C#N	585098718	XWCMSQIISIKGHN-MRXNPFEDSA-N	350.466	3.301	30	40	FGEB	
C=C(CC)C[C@@H]1C[C@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	5542004	DDETXFVRKGDIDT-SPLOXXLWSA-N	352.434	3.297	30	40	FGEB	
COc1cc(C#N)ccc1OC(=O)COc1cccc(Br)c1	6310137	NJHJGASDCCQDEZ-UHFFFAOYSA-N	362.179	3.314	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2Cl)CC1	7270343	BPOYYXLDOVJXDQ-UHFFFAOYSA-N	370.796	3.082	30	40	FGEB	
C[C@H](OC(=O)[C@H](C)Sc1ccccc1)C(=O)NC1(C#N)CCCCC1	24166542	RNPGWMPNWFBIPK-GJZGRUSLSA-N	360.479	3.442	30	40	FGEB	
Cn1c(=O)n(C)c2cc(/C=N/c3sc4c(c3C#N)CCCC4)ccc21	1100151	UBNLTJOUFKJNTP-SRZZPIQSSA-N	350.447	3.440	30	40	FGEB	
C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-n2ccnc2)cc1	12549674	KOPOQLFHWCUUQL-JKSUJKDBSA-N	360.417	3.389	30	40	FGEB	
Cc1ccccc1OCCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N	3376652	DLTXZKSMDYDDRE-UHFFFAOYSA-N	372.808	3.471	30	40	FGEB	
CCOC(=O)[C@@](O)(c1ccc(/N=C/c2ccccc2O)cc1)C(F)(F)F	2345583	IPCLIUYHUGGTAQ-CBVHTYNASA-N	367.323	3.456	30	40	FGEB	
C=CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	4977049	FYXVFSRQZRMWFC-FQEVSTJZSA-N	352.459	3.377	30	40	FGEB	
COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1O[C@H](C)C(=O)O	409014249	WTJYEQGZBKLKJI-ZICWZVMQSA-N	356.378	3.256	30	40	FGEB	
CC(=O)/C=C\C=C\c1ccc2c(c1)O[C@H](CO)[C@H](c1ccc(O)c(O)c1)O2	17175012	RCKPFEXECYJLFV-UUUYEPMCSA-N	368.385	3.130	30	40	FGEB	
Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1	5642594	ZVJCGINDGFICCD-GFCCVEGCSA-N	355.419	3.418	30	40	FGEB	
C[C@]1(C(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC=CCC1	1565550043	NMFSKATYJXHDRR-VXKWHMMOSA-N	363.461	3.260	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)/C1=C(\O)c1ccccc1	102805195	ALWLPLQIMQWIFL-WOOAAIBNSA-N	371.396	3.099	30	40	FGEB	
CC1=CC(=O)[C@@]2(C)[C@H](CC=C3[C@H]2CC[C@@H]2CC(=O)CC[C@@]32C)S1(=O)=O	12342089	HIZIVFAFGQVLQJ-NLMIBYRWSA-N	362.491	3.378	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)o1	3197400	PKKASTRCHUJKOK-FRKPEAEDSA-N	363.786	3.499	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1	3216291	WURMUQBNCNTPEC-UHFFFAOYSA-N	363.417	3.344	30	40	FGEB	
CC(C)(C)N(CC#CCC(O)(c1ccccc1)c1ccccc1)CCO	2200997	OXBRXFZGRRBMQZ-UHFFFAOYSA-N	351.490	3.409	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1	5045129	MAHZALYZCNEINC-QGZVFWFLSA-N	355.390	3.203	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/OCc2ccccc2F)ccc1N1CCOCC1	5198263	YRUOIYWMCBOUTQ-UDWIEESQSA-N	359.357	3.121	30	40	FGEB	
Cc1c(Cl)cccc1/N=N/c1c(C)c(C#N)c(=O)n(CCCO)c1O	6796237	POSOUVBPYLBBQJ-QZQOTICOSA-N	360.801	3.494	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)n(-c2ccccc2)c1C	19829452	LCFBWMKPEHLJIV-HUUCEWRRSA-N	366.465	3.014	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cccc(OCc2ccccc2)c1	409407475	UFDCDUWCXDCIJY-JYAXBFRTSA-N	372.424	3.407	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O	409137562	YDIRTWUOHRSDFZ-UKTHLTGXSA-N	350.802	3.216	30	40	FGEB	
Oc1ccc(Br)cc1/C=N\N1CCN(Cc2ccccc2)CC1	15938939	AOWZKTAGLHAXBR-MOSHPQCFSA-N	374.282	3.306	30	40	FGEB	
COC(=O)[C@](O)(c1ccc(/N=C/c2ccccc2O)c(C)c1)C(F)(F)F	100274272	BUFOEPKGQDRIRP-MMXTWKRJSA-N	367.323	3.374	30	40	FGEB	
C=CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Cl)cc1	8729452	FAABLROUZDQXFB-UHFFFAOYSA-N	351.811	3.420	30	40	FGEB	
C=CCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	113966112	XPUKLYOQIPZTPH-UHFFFAOYSA-N	372.490	3.185	30	40	FGEB	
Cc1ccccc1-n1c(C)cc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1C	48356223	XJTUWQANAUECCP-UHFFFAOYSA-N	374.444	3.331	30	40	FGEB	
O=C(N/C(=N/O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccc(F)c(F)c1	48311214	JEOQEHHVXMDEEL-UHFFFAOYSA-N	374.347	3.271	30	40	FGEB	
CSc1ncc(Cl)c(C(=O)OCc2cn3ccccc3c2C#N)n1	48314683	ZCIFDKWVYNZXOB-UHFFFAOYSA-N	358.810	3.333	30	40	FGEB	
C=CCn1c(Cc2csc(NC(=O)Cc3ccccc3)n2)n[nH]c1=S	24753721	VSRFXXIGLFYLSJ-UHFFFAOYSA-N	371.491	3.355	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccc2)ns1	42090772	SZHWDVYBTRKXRT-GFCCVEGCSA-N	350.403	3.483	30	40	FGEB	
Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)n1	96216194	MMWPXIATABLSHK-QHCPKHFHSA-N	374.488	3.390	30	40	FGEB	
O=C(/C(=C\N1CCCCCC1)c1nnnn1-c1ccccc1)C(F)(F)F	100038946	WREDDYBFGIVHTA-WYMLVPIESA-N	365.359	3.011	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S	13777241	FCIHSZKXLMSNBF-ZSOIEALJSA-N	351.449	3.100	30	40	FGEB	
COc1ccc(NC(=O)[C@H]2CCCN2CCOc2cccc(C#N)c2)cc1	52715676	AFSVWACRRCJRSI-HXUWFJFHSA-N	365.433	3.049	30	40	FGEB	
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2)cc1	836438	CVQPUZPHCUWVPS-GOSISDBHSA-N	365.385	3.352	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C	806989	QROMAPPGZJTMRV-UHFFFAOYSA-N	374.418	3.374	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nc(N)c32)cc1	12536987	XWTGZJUPAPPTEL-CQSZACIVSA-N	368.462	3.354	30	40	FGEB	
O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1	1464411	ILTSGJHXLVMOIZ-SKCQWOFPSA-N	371.487	3.207	30	40	FGEB	
Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)c(C#N)c1C	58192009	QKICZHXIJGESLI-INIZCTEOSA-N	373.254	3.306	30	40	FGEB	
Cc1nn(CC(=O)c2cc(C)n(CCC(C)C)c2C)c(=O)c(C#N)c1C	12775731	SVPGKTSFBXHSFI-UHFFFAOYSA-N	354.454	3.079	30	40	FGEB	
COc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F	64695678	BOHFTAMWMKUBCF-UHFFFAOYSA-N	373.789	3.212	30	40	FGEB	
Cc1cc([C@@H]2CCCN2/C(O)=N/CCc2nn(C)c3ccccc23)on1	330095618	VUVXPDDKKBMPLY-KRWDZBQOSA-N	353.426	3.163	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1	578710740	AGBSZGFYTHTWBZ-UWVAXJGDSA-N	374.456	3.411	30	40	FGEB	
CC(C)(C)OC(=O)n1ncc2c(B3OC(C)(C)C(C)(C)O3)cc(F)cc21	169993434	WDZOMMFFIMMYEY-UHFFFAOYSA-N	362.210	3.258	30	40	FGEB	
CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1	40132952	GCDGDFJYWXDUQF-AWEZNQCLSA-N	356.447	3.231	30	40	FGEB	
C=CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nc2onc(C)c12	32869273	GUFVIDXATLYNDD-LLVKDONJSA-N	371.418	3.107	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccco1	795007	GWCVOIPNOZSQEZ-SJKOYZFVSA-N	371.364	3.176	30	40	FGEB	
C=C(C)CN(CC)C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O	78452637	UKURSVBYEZPSMN-UHFFFAOYSA-N	355.221	3.014	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C#C[C@@](C)(O)CCC=C(C)C)N(C)CC3)OCO2	20112342	PUGTZMPAXSKRFM-VGSWGCGISA-N	371.477	3.454	30	40	FGEB	biogenic
CC(=O)Nc1ccc(S(=O)(=O)/N=C(/C2CCCC2)N2CCCC2)cc1	104075328	DSTWNGREXVWICZ-ZZEZOPTASA-N	363.483	3.018	30	40	FGEB	
COc1ccc(/C=N/Nc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1	13139846	WYEYCEXJDGVOAP-WSDLNYQXSA-N	359.389	3.072	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CC1	7981092	QOTBBWZRXASORO-NSHDSACASA-N	373.438	3.369	30	40	FGEB	
N#CCc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	8126502	ILNMDTYAOFKUAZ-UHFFFAOYSA-N	365.477	3.414	30	40	FGEB	
N#CC1(NC(=O)CN2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CCCC1	75107793	YCPJHXYMDISINB-VQTJNVASSA-N	369.509	3.307	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2ccc(Cl)cc2)C1=O	408535346	NSCMJMYLGKHWBI-AWEZNQCLSA-N	355.781	3.250	30	40	FGEB	
COc1ccccc1[C@@H](C#N)NCCCN[C@H](C#N)c1ccccc1OC	31667246	QNMNQYCJFCGGLZ-RTBURBONSA-N	364.449	3.103	30	40	FGEB	
N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1	214691094	SLOGFOOBJHKYMD-MHWRWJLKSA-N	363.398	3.233	30	40	FGEB	
N#CCc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1	225826903	OULRQUAIOKJFQF-UHFFFAOYSA-N	355.448	3.351	30	40	FGEB	
CN1CCC(Oc2ccc(N=C(O)[C@@H]3COc4ccccc4C3)cn2)CC1	328690960	RALOTVACBSDBJI-INIZCTEOSA-N	367.449	3.394	30	40	FGEB	
C=C(C)CN1CCC(NC(=O)NCC(F)(F)c2cccc(F)c2)CC1	660598013	VXYKIAPRMHTZLG-UHFFFAOYSA-N	355.404	3.257	30	40	FGEB	
Cc1ccc2nc(N=C3NCN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	19332608	AKQQYSYKXAIBQH-KSSFIOAISA-N	352.486	3.223	30	40	FGEB	
COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1	208855760	ZKGULMXHHLWYAZ-CXUHLZMHSA-N	368.345	3.499	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2	12390241	LTQNTTATCWNBHZ-DIFFPNOSSA-N	364.361	3.348	30	40	FGEB	
CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S1	18255094	VUZDEWSCONAAPY-NVNXTCNLSA-N	371.374	3.270	30	40	FGEB	
Cc1c(/N=C/c2nc(-c3ccco3)oc2O)c(=O)n(-c2ccccc2)n1C	984645	PRWQLHZMSMTDNG-RGVLZGJSSA-N	364.361	3.189	30	40	FGEB	
Cc1ccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1	21005797	YGNSSHYVMLTHPO-JKSUJKDBSA-N	371.400	3.046	30	40	FGEB	
C=CCn1c(SCC(=O)NCCCC)nc2ccc(Cl)cc2c1=O	3369863	LPIORBTWKDMWFI-UHFFFAOYSA-N	365.886	3.244	30	40	FGEB	
C/C(=N/Nc1cc(N2CCOCC2)ncn1)c1ccc(Cl)c(Cl)c1	5023886	IDAULHXYAVEQFY-NHDPSOOVSA-N	366.252	3.456	30	40	FGEB	
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2Cl)n1	9184152	OHYWVLDMISTJOQ-UHFFFAOYSA-N	352.785	3.057	30	40	FGEB	
C#CCOc1ccc(CCNC(=O)Nc2cccc(-n3cccn3)c2)cc1	75126313	OUGNOYKOLPAIBR-UHFFFAOYSA-N	360.417	3.249	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c(C)c1	409013665	CIUYCLYGLVFBRV-PUFAJPFRSA-N	371.389	3.393	30	40	FGEB	
COc1cccc(COc2nn(Cc3ccccc3F)c(N)c2C#N)c1	225841514	KDTGKWKNEZQKAM-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225652638	DVSCMVJEOFTSTM-KZNAEPCWSA-N	361.850	3.090	30	40	FGEB	
COc1ccc(COc2nn(Cc3cccc(F)c3)c(N)c2C#N)cc1	225842308	RTOOAUMEHHHIIB-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
COc1cc(-c2c3c([nH]c(=S)c2C#N)CCN(C)C3)cc(OC)c1OC	226745851	MZQCJMHHQPEMJL-UHFFFAOYSA-N	371.462	3.297	30	40	FGEB	
CC(=O)ON=Cc1c(Nc2cccc(Cl)c2)nc2c(C)cccn2c1=O	245229422	XLGYCDUYNDVUDQ-UHFFFAOYSA-N	370.796	3.297	30	40	FGEB	
C=CCN(c1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O	260790392	CNYXHRVCKATWDY-INIZCTEOSA-N	372.490	3.172	30	40	FGEB	
OC(C#C[C@@](O)(c1ccccc1)C(F)(F)F)(C(F)(F)F)C(F)(F)F	95682110	JOGGFTPFAJRZEF-SECBINFHSA-N	366.179	3.296	30	40	FGEB	
C[C@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	19959665	SNZIKKHZUGVLBA-ANRSDYALSA-N	359.773	3.108	30	40	FGEB	
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1	22611883	ZRMOUIYLACKAMP-LJQANCHMSA-N	369.461	3.480	30	40	FGEB	
O=C(O)c1ccc(/C=N/NC(=S)Nc2cccc3cccnc23)cc1	1868739	MTBXGJBOFCYGMZ-RGVLZGJSSA-N	350.403	3.254	30	40	FGEB	
COc1ccc(OC)c(/C=N\CC/N=C\c2cc(OC)ccc2OC)c1	104151931	OAASQSSBLPZNGY-JZTLMNBPSA-N	356.422	3.259	30	40	FGEB	
CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(OC)cc1)c1ccc2c(c1)OCO2	2370036	AHMSOQXNLRNHGP-LPHOPBHVSA-N	353.374	3.259	30	40	FGEB	
CC1=CC(=O)C=C/C1=N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1	101027906	NPDBPLVAPRQSBF-WRBBJXAJSA-N	364.426	3.348	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@H]1CN(c2c(C)cccc2C)C(=O)/C1=N\O	104274231	UXYTXQQYBQSZPT-CYMZXICGSA-N	365.433	3.352	30	40	FGEB	
C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O	12820748	LXDVXVYRLGCHEM-GFCCVEGCSA-N	370.478	3.045	30	40	FGEB	
CN(C(=O)COC(=O)Cc1c(F)cccc1Cl)C1(C#N)CCCCC1	5508527	ARGQICKTFVIYFB-UHFFFAOYSA-N	366.820	3.250	30	40	FGEB	
C[C@H]1CCC/C(=N\Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1	7814683	SGHNNFMGJNROHQ-PTJLRZKYSA-N	350.488	3.234	30	40	FGEB	
Cc1ccc(/N=C2/NC(=O)[C@H](CC(=O)NCc3ccccc3)S2)cc1C	18077913	YEWQCBSRSZZHQO-KRWDZBQOSA-N	367.474	3.229	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1	409295350	OGHISBSCWHJBCR-UHFFFAOYSA-N	367.206	3.221	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(NC(C)=O)cc1	409234011	XQZABDIVRMBEGM-KGENOOAVSA-N	353.422	3.241	30	40	FGEB	
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	44682049	WJQLUFQGNVGLKR-RYQLBKOJSA-N	362.470	3.057	30	40	FGEB	
CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OC(C)=O	96193672	BLIUREVVAJWYBW-WZUFQYTHSA-N	368.183	3.089	30	40	FGEB	
Cc1cccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1C	256046362	FMDMFQXQWZQHCJ-UHFFFAOYSA-N	372.476	3.078	30	40	FGEB	
C=CCN(Cc1ccccc1)C(=O)NCc1ccc(OC)c(C(=O)OC)c1	43079319	QYAQTIGDCJCTSV-UHFFFAOYSA-N	368.433	3.380	30	40	FGEB	
O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1	6251276	UBPIPSQBDKOWSF-CXUHLZMHSA-N	373.659	3.415	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1	7594404	BYYZSIVDUNSAQI-UHFFFAOYSA-N	367.452	3.094	30	40	FGEB	
C=CCn1cnnc1SCC(=O)Nc1ccc(Br)cc1F	8704754	GTIZKLGFHDGKTF-UHFFFAOYSA-N	371.235	3.097	30	40	FGEB	
CCOC(=O)COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cn1	409103038	CVLXXYSDTXQJDP-LSFURLLWSA-N	367.327	3.488	30	40	FGEB	
Cc1cc(C)c(C#N)c(N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)n1	588059506	OCYQNLNUHTUDFQ-PMACEKPBSA-N	350.466	3.078	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)C(O)=NC1=S	2403451	JMMIMFRDMQSJCE-FOWTUZBSSA-N	367.430	3.139	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1	19848774	SSSRRPSNEAAEKL-MOSHPQCFSA-N	358.829	3.400	30	40	FGEB	
COc1ccc(O)c(/C=N/CC(C)C/N=C/c2cc(OC)ccc2O)c1	101206813	WOIXKQMPNSNVGG-ADYPVIEZSA-N	356.422	3.289	30	40	FGEB	
Cc1cnc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)s1	218499630	IADLBBPJPZFEEN-UHFFFAOYSA-N	354.460	3.292	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@H]2c1ccc([N+](=O)[O-])cc1	100710831	RBUFIKDCAXIWHP-SWLSCSKDSA-N	355.419	3.392	30	40	FGEB	
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(=O)[nH]c2ccccc12	32900397	YAHAFZAELMLMIK-UHFFFAOYSA-N	370.330	3.328	30	40	FGEB	
COc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)cc1OC	8943081	FLVBERREHMZPDE-UHFFFAOYSA-N	359.451	3.098	30	40	FGEB	
COc1ccc(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)c(OC)c1	3136495	FGXIBFKDFQYUGO-UHFFFAOYSA-N	365.201	3.407	30	40	FGEB	
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(C#N)cc1Cl	7857432	JRZFJNSDNKSXQQ-GFCCVEGCSA-N	369.808	3.354	30	40	FGEB	
C=CC/N=C1\S[C@H](c2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1	12615558	DANZFVMXEGBDSR-OZNQOIHVSA-N	372.471	3.234	30	40	FGEB	
C#CCN(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)CC(F)(F)F	95352069	YFLNNSPTOVIMIR-AWEZNQCLSA-N	352.400	3.240	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1	7712778	NMNJSJOXJHQMFR-KPKJPENVSA-N	360.413	3.456	30	40	FGEB	
COc1cccc(/C=N/c2ccc(NC(C)=O)cc2)c1O[C@H](C)C(=O)O	409221896	VQYKNJXUAZZMRG-ZICWZVMQSA-N	356.378	3.256	30	40	FGEB	
CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCCC1	34702156	XMMJYTLSCOTMTP-JXAWBTAJSA-N	354.248	3.224	30	40	FGEB	
N#CC1(c2ccc(NC(=O)c3cn4c5c(cccc5c3=O)CC4)cc2)CC1	225860946	FIVDXXIMIKUORM-UHFFFAOYSA-N	355.397	3.365	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2	224840826	LBFCZEPJJWTZIB-UHFFFAOYSA-N	367.373	3.117	30	40	FGEB	
CN1CCN(c2ccc(N=C(O)[C@@H]3CCCN3c3ccccc3)nc2)CC1	330251898	IBTUFZGDZRIMFA-IBGZPJMESA-N	365.481	3.090	30	40	FGEB	
CN(C)c1ccc([C@H]2[C@H]3C=C[C@@H](C3)[C@]2(C#N)C(=O)O)c(Br)c1	245285584	XTYSSMRBGBHTIB-WPQODPODSA-N	361.239	3.399	30	40	FGEB	
COc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1ccccc1OC	85409433	XMAVVRUGTYNXAO-KRWDZBQOSA-N	374.400	3.421	30	40	FGEB	
COc1ccc2c(c1)C(=O)C[C@H](COS(=O)(=O)c1ccc(C)cc1)C2	1563679	VIQGPRTUKHGHJP-CQSZACIVSA-N	360.431	3.154	30	40	FGEB	
C[C@@H](Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)C(=O)O	100223984	KKDOEYJWNUUQOA-HFITWMCCSA-N	354.406	3.126	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1	8015680	CPVDUHDJQYNHPM-OAHLLOKOSA-N	369.852	3.328	30	40	FGEB	
Cc1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1	84133137	WODDHDIDTPTOBI-VMPITWQZSA-N	373.430	3.433	30	40	FGEB	
O=C(Cc1ccccc1Cl)NCC#CCN1CCc2ccccc2C1	75165025	QCMGAGLNNXXODQ-UHFFFAOYSA-N	352.865	3.060	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O	169703837	OCXRSLZMMPCDEY-WWAAQGACSA-N	358.825	3.270	30	40	FGEB	
CNC1=Nc2ccc(Cl)cc2[C@@]2(c3ccccc3)N(C1)OC(=O)N2C	1617352	LVMMOOFHGDXCHR-GOSISDBHSA-N	356.813	3.103	30	40	FGEB	
O=C(COc1ccc(Cl)cc1Cl)ON1C(=O)c2ccccc2C1=O	3194528	WMMDZNBZFWTDEK-UHFFFAOYSA-N	366.156	3.127	30	40	FGEB	
C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC)n3)cc21	19820161	LTDJCTWTEOMLNY-UHFFFAOYSA-N	357.435	3.460	30	40	FGEB	
COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	218115689	XWKDDDIBWIFTLI-DLBZAZTESA-N	372.833	3.322	30	40	FGEB	
C=CCOC(=O)N[C@@H](CC(=O)Nc1ccc(CCN)cc1)c1ccccc1	2362801567	XWGUYWGQUJNDBP-IBGZPJMESA-N	367.449	3.170	30	40	FGEB	
COc1ccc(C[C@@H](NC(=O)CSCC#N)c2ccc(OC)cc2)cc1	32711238	UFZXAHKTCMCGSR-LJQANCHMSA-N	370.474	3.361	30	40	FGEB	
CN(CC1CCN(c2ncccc2C#N)CC1)c1ncnc(C2CC2)c1F	1888864431	OYQAKCZJNHSXDM-UHFFFAOYSA-N	366.444	3.113	30	40	FGEB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=S)NC)o2)ccc1Cl	6956152	UQMUVTOAVSXWON-DJKKODMXSA-N	365.842	3.205	30	40	FGEB	
CC(C)CCNc1nc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cs1	12599016	FVDKSUWQDRLILP-UHFFFAOYSA-N	372.450	3.268	30	40	FGEB	
CN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1	25866864	BOGCJSNENJRHGS-AWEZNQCLSA-N	350.871	3.339	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1c(nc(=S)[nH]c1O)N2	44973840	ARFIAHZSBNWSMG-LBPRGKRZSA-N	370.390	3.317	30	40	FGEB	
Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1cn2ccccc2c1C#N	48314124	XQEXYHXJHDOTOC-VOTSOKGWSA-N	354.797	3.263	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2)c1C	2618492	BOZHBZZXVJKPIV-UHFFFAOYSA-N	353.451	3.242	30	40	FGEB	
Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(C#N)cc1	6642653	IYYGDVFYKJJUFB-UHFFFAOYSA-N	358.781	3.081	30	40	FGEB	
N#CCc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1	7829336	VDFYTFWPPHQZQB-UHFFFAOYSA-N	355.448	3.330	30	40	FGEB	
COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1OC	17075672	RMMUDVAACVJQAB-WOJGMQOQSA-N	368.842	3.060	30	40	FGEB	
C=CCc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1OC	223855438	FPWFAHUYSVKOTO-CQSZACIVSA-N	373.474	3.318	30	40	FGEB	
N#CCc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1	225559561	FRQXQPMTUGPALB-UHFFFAOYSA-N	350.491	3.492	30	40	FGEB	
N#Cc1ccc(N2CCC[C@@H](C3CCN(C(=O)C4CC4)CC3)CC2)nc1	1775990156	DAWZUAUVYBVEJN-QGZVFWFLSA-N	352.482	3.208	30	40	FGEB	
Cn1ccnc1CN1CCC(c2cccc(Nc3ccc(C#N)nc3)n2)CC1	585293588	JIJBGLYDZPBGGU-UHFFFAOYSA-N	373.464	3.205	30	40	FGEB	
N#Cc1ccc(CN2CCC(Oc3ncc(Br)cn3)CC2)cc1	1203905329	KMPGCWLCEYHMJK-UHFFFAOYSA-N	373.254	3.154	30	40	FGEB	
N#Cc1c(CCCCCNc2ncnc3sc4c(c23)CCC4)n[nH]c1N	12529406	LHPQAANGJVVBGV-UHFFFAOYSA-N	367.482	3.182	30	40	FGEB	
Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2nccs2)N(C)C1=O	13151741	BDIRJRPBUDVNTP-OHEASWGXSA-N	360.464	3.042	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccnc2)/C1=C(\O)c1ccccc1	102883846	VGWZGSIUMOVZCO-WOOAAIBNSA-N	371.396	3.099	30	40	FGEB	
N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1	41493516	JQYGOVFHRLNIMX-SWLSCSKDSA-N	373.334	3.330	30	40	FGEB	
CCc1nnc2n1N(C(C)=O)C(c1ccc(C)c(C)c1)=C(C(C)=O)S2	4518319	WQIQCLKJKNCDIY-UHFFFAOYSA-N	356.451	3.005	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](CC(=O)O)S/C2=N\N=C\c2ccc(C)o2)cc1	59475406	YBVBAIUCXMIOAK-LBWDYHQASA-N	371.418	3.210	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(Cl)c(C(N)=O)c1	29020058	ZZMGJWWMCQOPKS-UHFFFAOYSA-N	368.780	3.255	30	40	FGEB	
C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	408797908	CZOPZKQINHAOFI-DTQAZKPQSA-N	362.385	3.226	30	40	FGEB	
N#CCN(C(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccccc1	8074185	DMMBWIKJHVSLMP-UHFFFAOYSA-N	353.451	3.139	30	40	FGEB	
COc1ccccc1[C@H]1CC[C@H](C)CN1S(=O)(=O)c1cccnc1C#N	586771474	KUHRCOLKKJJJBM-WMLDXEAASA-N	371.462	3.124	30	40	FGEB	
COc1ccc([C@@H]2C[C@H]2CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1	598842072	CYKXPZWBCMWNLF-RDJZCZTQSA-N	361.401	3.046	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)c3ccc4c(c3)CCCN4)CC2)OC1(C)C	1776007442	CTYQHSUVMLJSHZ-UHFFFAOYSA-N	368.286	3.448	30	40	FGEB	
COc1cc(CC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC	46440680	CZFJADBLTUPDGV-ZDUSSCGKSA-N	365.389	3.008	30	40	FGEB	
C#CCN1CCC[C@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	19529969	MBPCREBAYFPQCK-SIKLNZKXSA-N	368.477	3.157	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3[C@H](CCN3c3ccc(C(F)(F)F)nc3)C2)nc1	1889108911	AANJQCPJZZDOSM-UKRRQHHQSA-N	359.355	3.082	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3CCN(Cc4ccc(F)cc4Cl)[C@H]3C2)nc1	1889122737	UTEDOMWXFBBVDF-YJBOKZPZSA-N	356.832	3.456	30	40	FGEB	
Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cccc(C#N)c1	50534750	GDDWJWLTDKDFFC-UHFFFAOYSA-N	373.503	3.221	30	40	FGEB	
N#Cc1ccc(F)c(CN2CCCN(Cc3cc(C#N)ccc3F)CC2)c1	32860221	OZIADGFLRLMVEE-UHFFFAOYSA-N	366.415	3.416	30	40	FGEB	
C=CCNC(=S)NN=Cc1cccc(OCCOc2ccc(C)cc2)c1	4196555	CDVZPHHBAKHRFF-UHFFFAOYSA-N	369.490	3.437	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1C[C@@H](C)O[C@H](C)C1	33704587	JCHMFMSWRWHRFI-GLPWKFFASA-N	374.268	3.391	30	40	FGEB	
COc1ccc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)cc1OC	1235855	ZPPOWUWUMGADQF-SXGWCWSVSA-N	356.403	3.301	30	40	FGEB	
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	100773141	LAXFVIWMSHUGQK-KSFYIVLOSA-N	370.468	3.493	30	40	FGEB	
Cc1c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)on2)cnn1C	13641878	SJCXADRJNFTFJR-UHFFFAOYSA-N	367.434	3.448	30	40	FGEB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N/n1cnc2ccccc2c1=O	7813892	CSRRTGPUMJDSSF-FSJBWODESA-N	357.417	3.140	30	40	FGEB	
C=CCc1cc(/C=N\OCc2ccccc2)cc(OC)c1OCC(=O)O	408852328	JQRIKMAHGXFMDG-MTJSOVHGSA-N	355.390	3.438	30	40	FGEB	
COc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	218127447	BKBNHTNUGHKWSB-ULQDDVLXSA-N	350.823	3.103	30	40	FGEB	
CCOC(=O)C1=C[C@H](C2CC2)c2cc(C#CC(C)(C)N)c(F)cc2C1=O	255187342	CVWGTBNIPDHPAR-CQSZACIVSA-N	355.409	3.094	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(OC)c(OCc2ccccc2F)c1	2053767	BYCFRMUCPXWMLB-WSDLNYQXSA-N	373.453	3.397	30	40	FGEB	
N#Cc1cccc(COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1	5991412	ZGLWAWOKMHJXIQ-UHFFFAOYSA-N	363.200	3.338	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3[C@H]3O[C@@]132	100771935	MTJYMMDGGCHXAK-VWOPSUBDSA-N	369.505	3.344	30	40	FGEB	biogenic
Cc1cccc(OC/C(O)=N/c2nc(CN3CCOCC3)cs2)c1C	21128176	QNRWVAASFAMFJU-UHFFFAOYSA-N	361.467	3.259	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2cc(C)ccc2C)s1	32891712	LXAHTZCGFGWBPY-UHFFFAOYSA-N	366.468	3.468	30	40	FGEB	
CCSc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1	2742359	NCOCILSEVKWKTD-UHFFFAOYSA-N	357.276	3.422	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1	242498498	HITWJLUVHAKRPZ-IPMKNSEASA-N	359.422	3.312	30	40	FGEB	
CCOC(=O)C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	5125011	QBCPGCBKEKUWFK-CYVLTUHYSA-N	372.337	3.272	30	40	FGEB	
COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc(OC)c1O	1302364	PFCMORHGMYASKH-ZDLGFXPLSA-N	356.407	3.213	30	40	FGEB	
CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2	4517430	QSFYZRFHORXGCT-UHFFFAOYSA-N	371.487	3.499	30	40	FGEB	
C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccnc1)O2	100147033	HTIUHCFSDHKOSC-NEOGFGCTSA-N	369.384	3.204	30	40	FGEB	
CC1=CC(=NS(=O)(=O)c2ccc(Br)cc2)C=C(C)C1=O	3120921	OFDXMMHWFGZZGR-UHFFFAOYSA-N	354.225	3.054	30	40	FGEB	
CC(C)NS(=O)(=O)Cc1ccc(CNc2cccc(F)c2C#N)cc1	24060069	OSVDGXMHHJSRHS-UHFFFAOYSA-N	361.442	3.137	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	57672305	SQRQGQUYVUIMMS-UHFFFAOYSA-N	369.406	3.065	30	40	FGEB	
C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC#Cc2ccc(Cl)cc2)C1=O	72313688	FLKWAIYATMQLDQ-AWEZNQCLSA-N	366.804	3.244	30	40	FGEB	
C=CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	5937930	LKCWWKOYQFNQDN-UHFFFAOYSA-N	362.426	3.161	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCOc2ccc(Cl)cc2)C1=O	20820037	MUAZPKFVXQSSKM-IBGZPJMESA-N	369.808	3.058	30	40	FGEB	
CN1C(=O)/C(=C/c2ccoc2)S/C1=N/c1ccc(N2CCOCC2)cc1	408928790	JLBRLFLSIIWHRA-QLJNEMMGSA-N	369.446	3.350	30	40	FGEB	
CC1=NN[C@H]2N[C@@H](c3ccc(N(C)C)cc3)C3=C(CC(C)(C)CC3=O)[C@H]12	35193862	NWKTUUJCENYCME-YSIASYRMSA-N	352.482	3.004	30	40	FGEB	
N#Cc1cccnc1N1CCC(CNC(=O)Nc2c(F)cccc2F)CC1	70929513	KGTFBQNOIUBLDQ-UHFFFAOYSA-N	371.391	3.270	30	40	FGEB	
CC(C)CN1/C(=C\c2cccc(O)c2)C(=O)c2ccccc2S1(=O)=O	8991255	AEGSHPARJURUPN-BOPFTXTBSA-N	357.431	3.276	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)Nc2cccc(SC)c2)cs1	3567920	OWJJRRZVVJRDAS-UHFFFAOYSA-N	363.464	3.258	30	40	FGEB	
CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1	4701624	NWDMPTKKZVOWMY-CKOFDZGGSA-N	369.373	3.333	30	40	FGEB	
Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N\O)CC(C)(C)C2	100931478	NBSLTRTVTDHJHV-XKZIYDEJSA-N	370.405	3.397	30	40	FGEB	
C=CCN(Cc1cc(Br)ccc1F)C(=O)CN(C)C(C)C	60324416	VBXWBTBWCNYICU-UHFFFAOYSA-N	357.267	3.443	30	40	FGEB	
CCOc1cc2c(cc1NC(=O)COc1ccccc1C#N)O[C@@H](C)C2	13000775	CVCUTWFKXNBRJM-ZDUSSCGKSA-N	352.390	3.298	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1	14137141	XBSAMLSCTMHPND-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
C=CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccoc1C	9364540	ZZVSMFWJKHJPQS-UHFFFAOYSA-N	354.435	3.424	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccc(O)cc2)S[C@H]1Cc1ccccc1Cl	4936324	CKPOCRHKLILEHZ-RPJLVFAOSA-N	359.838	3.210	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1	8015673	CPVDUHDJQYNHPM-HNNXBMFYSA-N	369.852	3.328	30	40	FGEB	
CC(C)(C)n1cc(C#N)cc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1	71817049	IGPOHXAEZOHSSH-INIZCTEOSA-N	354.385	3.386	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1	218454982	ICBYPOBNMXLKFT-FHWLQOOXSA-N	359.422	3.230	30	40	FGEB	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN(C)c1ccc(C#N)cn1	49978699	MXYIZCGSACDVLA-INIZCTEOSA-N	352.438	3.121	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	242688416	VPNHDICAGDPECL-RCCFBDPRSA-N	359.834	3.297	30	40	FGEB	
N#C[C@H](C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccc(Cl)cc1	16429795	MEFBNINDRNDRNP-CQSZACIVSA-N	359.723	3.084	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N	1443968	GRBPOZCQHWIKGX-UHFFFAOYSA-N	357.391	3.291	30	40	FGEB	
CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\NCc2ccco2)C1=O	101095451	OCAWSOJHDVCMSF-QINSGFPZSA-N	370.430	3.413	30	40	FGEB	
O=C(N1CCN(Cc2ccccc2)CC1)C(F)(F)C(F)(F)C(F)(F)F	20522501	YBUNEDWAHOWAET-UHFFFAOYSA-N	372.284	3.164	30	40	FGEB	
CC[C@H](C)NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C#N	1355222	MVLLXZCCHNUTHM-NSHDSACASA-N	359.451	3.130	30	40	FGEB	
N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2ccc(Cl)cc2)c1=O	3251766	PNBVISYPXRRAHP-UHFFFAOYSA-N	368.751	3.438	30	40	FGEB	
COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)cc1OC	13583421	QFXKAVFADCYWDO-YOPNLDQXSA-N	369.446	3.169	30	40	FGEB	
CC[C@@H]1C(c2ccccc2)=[N+]([O-])[C@](C)(C(=O)c2ccc(OC)cc2)N1O	5443386	RXOQXWFSOPJIBM-YLJYHZDGSA-N	354.406	3.077	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	8777015	SXHACSSIYWLGGU-UHFFFAOYSA-N	360.391	3.271	30	40	FGEB	
C/C(=N\Nc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)c1ccccc1	408725750	HHQNQUGKQCEULT-WGOQTCKBSA-N	373.464	3.473	30	40	FGEB	
COc1cc(/C=N\Nc2ccc(C(F)(F)F)cc2)ccc1OCC(N)=O	408932215	UXFJPRJKMJPHAM-AFPJDJCSSA-N	367.327	3.024	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O	409146804	KWUINUBXMWVIQW-XNTDXEJSSA-N	352.346	3.032	30	40	FGEB	
Cc1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)cc1[N+](=O)[O-]	409339625	XGAUHXMZQQTTES-APSNUPSMSA-N	361.404	3.357	30	40	FGEB	
Cc1ncc(S(=O)(=O)N2CCCC[C@H]2Cc2ccccc2)cc1C#N	589890291	PNBWTWDAWSIEKS-SFHVURJKSA-N	355.463	3.048	30	40	FGEB	
CN(Cc1ccc2c(c1)OCCO2)c1ncc(Br)cc1C#N	573773531	VTNLFCHOSJYIOO-UHFFFAOYSA-N	360.211	3.123	30	40	FGEB	
N#CCCOCc1nc(-c2ccccc2)n(CCC#N)c1COCCC#N	5117447	XGQUSGCBVBFRGX-UHFFFAOYSA-N	363.421	3.324	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)Nc1cccc(Br)c1	3387838	CXCOMPIAHWKBDX-UHFFFAOYSA-N	361.195	3.347	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1)c1ccco1	795005	VPGFXBBLAOOTDO-WMLDXEAASA-N	371.364	3.176	30	40	FGEB	
CCCn1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)ccc1=O	56079630	PSZNURFZTPPLBJ-UHFFFAOYSA-N	370.478	3.181	30	40	FGEB	
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(C)cc1	100975364	BXJCJGSWZUGVAD-VRTBNJGNSA-N	374.487	3.376	30	40	FGEB	
COc1cc(OC)c(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1Cl	29273941	KCBNOBNDABRREG-UHFFFAOYSA-N	374.780	3.024	30	40	FGEB	
Cc1cc(NC(=O)COc2ccc(C#N)cc2)n(-c2ccc(F)cc2)n1	29270261	RNPUJHAUOKDNLU-UHFFFAOYSA-N	350.353	3.209	30	40	FGEB	
Cc1ccc(N(CCC#N)C(=O)CSc2nnc3ccccn23)cc1	2645984	FHFNHPOWZDTUIN-UHFFFAOYSA-N	351.435	3.077	30	40	FGEB	
C=CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1	6002565	NZBTUJPCBKPVPX-UHFFFAOYSA-N	356.403	3.103	30	40	FGEB	
N#Cc1c(Cl)csc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1	95450508	JMUJCJMCTFLEDC-UHFFFAOYSA-N	366.874	3.139	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2	18219464	WWZLJDUAIGIOKI-OAHLLOKOSA-N	356.451	3.364	30	40	FGEB	
C#CCN(Cc1ccc(F)cc1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1	84280512	XGQPFDZIZGISJW-UHFFFAOYSA-N	366.371	3.130	30	40	FGEB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1Cl	408912512	HTKNZUGVUDSJLV-ODCIPOBUSA-N	357.801	3.008	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCC(C)CC2)n1	225924119	QXJWMCCESUIACB-UHFFFAOYSA-N	374.558	3.176	30	40	FGEB	
N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1	648045141	DZIKIUPLDILSQU-WDEREUQCSA-N	358.257	3.339	30	40	FGEB	
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c1	12862631	VRNUEBVMFZTBKC-ZDLGFXPLSA-N	369.373	3.380	30	40	FGEB	biogenic
C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1	18213496	ICBRKTIZZOEEGA-UHFFFAOYSA-N	372.490	3.040	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccc2)no1	102728102	AGWNMAAQEUXLJQ-UYTDBDHRSA-N	350.330	3.202	30	40	FGEB	
COc1cc(C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)ccc1C	58151824	YXRYITKHHVTQAH-UHFFFAOYSA-N	368.842	3.081	30	40	FGEB	
CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccccc2C#N)=N1	101185464	WMGWDWVWZJACGL-GOSISDBHSA-N	362.458	3.251	30	40	FGEB	
COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(C#N)cc2)c1C	3351971	RJQBKFGQFSSITB-AWEZNQCLSA-N	354.406	3.224	30	40	FGEB	
C=CCNC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1	3544098	HYLZLGSDBNBQRU-UHFFFAOYSA-N	353.296	3.424	30	40	FGEB	
O=C[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	225643948	HMTZHBTZFZNPHU-OWCLPIDISA-N	365.248	3.204	30	40	FGEB	
N#CC1(NC(=O)COC(=O)c2ccc(-c3cnco3)cc2)CCCCCC1	51980237	WYZPJHBAQPGDOH-UHFFFAOYSA-N	367.405	3.231	30	40	FGEB	
CC/N=C1\S/C(=C/c2ccc(N3CCOCC3)cc2C)C(=O)N1CC	15013316	TUEKESDIBHUJCX-YWKYIXQJSA-N	359.495	3.144	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)c1	3526972	GMTLSJBJYVWHLD-UDWIEESQSA-N	354.431	3.475	30	40	FGEB	
Cc1nc(N2CCC[C@H](COc3ncccn3)C2)c(C#N)c(C)c1Cl	1889109967	BOCRECJVEMGYSW-AWEZNQCLSA-N	357.845	3.309	30	40	FGEB	
Cc1ccc(-c2nnn([C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)cc1	31648425	IJQVTHSXHGRTMX-MRXNPFEDSA-N	360.421	3.156	30	40	FGEB	
CC/N=C(\S)NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1	642501	SDRMXXPTIFDXFD-UHFFFAOYSA-N	350.451	3.428	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccccc2F)[C@@H]1c1cccc([N+](=O)[O-])c1	1440172	XHVBPHFZHZGHEQ-MRXNPFEDSA-N	356.309	3.223	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3s2)c(O)c([N+](=O)[O-])c1	9296484	IGRUGWBZAQKELF-VIZOYTHASA-N	359.323	3.264	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccccc2OC(F)F)c1	2631769	JRBWXOOIPUQOML-VXLYETTFSA-N	354.378	3.217	30	40	FGEB	
CC(C)OC/C(N)=N\OCC(=O)Nc1ccc(Oc2ccccc2)cc1	63460405	LOIFAJNKTTYDPI-UHFFFAOYSA-N	357.410	3.131	30	40	FGEB	
CCN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2C#N)CC1	9154601	HYPUKDZLIOQSAM-VAWYXSNFSA-N	360.461	3.352	30	40	FGEB	
N#Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1	6225319	FCXBMKPEUBGOHO-VGOFMYFVSA-N	370.411	3.104	30	40	FGEB	
C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1	5274797	MGESDBGHXGQNMV-KRWDZBQOSA-N	367.380	3.178	30	40	FGEB	
N#C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1cnn(-c2ccccc2)c1	68400434	UIKVVRLANQSUBB-RBUKOAKNSA-N	358.401	3.119	30	40	FGEB	
COCCCN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O	409246621	JQOORXYCSRFXIF-LFIBNONCSA-N	355.419	3.238	30	40	FGEB	
CN(CC#CCNC(=O)CSc1ccc(F)cc1)Cc1ccccc1	75165146	CBYVKQSWYRIYTK-UHFFFAOYSA-N	356.466	3.169	30	40	FGEB	
C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(F)cc1	224918846	BNSFCEVITZJVNQ-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
CCCCCCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	95902488	BDXSFMZZUUOOKE-UHFFFAOYSA-N	361.490	3.138	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c([nH]n(-c3ccccc3)c1=O)N2	12348787	SJWWOULNGSEDGQ-SFHVURJKSA-N	373.412	3.436	30	40	FGEB	
CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1	13116310	SLYSTUIBVVGQRW-UHFFFAOYSA-N	363.461	3.232	30	40	FGEB	
N#Cc1ccc(COC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1	14365305	VESQQVLRBYLKLP-UHFFFAOYSA-N	369.442	3.388	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1C#N	31084397	LZUHGVRHFVENFR-UHFFFAOYSA-N	369.490	3.151	30	40	FGEB	
CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1OCC	7360945	HDURXKHLSBODCG-UHFFFAOYSA-N	360.435	3.351	30	40	FGEB	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc2ccccc2c1	8300029	MAIDFKDJBNNWMC-ZYSHUDEJSA-N	356.491	3.015	30	40	FGEB	biogenic,in-vitro
C=CCOC[C@@H]1C[C@@H]2OCCN(C(=O)c3ccc4ncccc4c3)[C@@H]2C1	107257791	KBKQAEYDAQDQLY-BEVDRBHNSA-N	352.434	3.057	30	40	FGEB	
Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccco1	5345451	ULDYWXCHSBNVBM-OAHLLOKOSA-N	350.378	3.193	30	40	FGEB	
COc1cc(/C=N/Nc2cc(C(=O)O)ccc2Cl)cc(OC)c1O	4948201	VLLMALPDOZJAPM-QGMBQPNBSA-N	350.758	3.207	30	40	FGEB	
CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O	409238351	NCROJBFNAKQMIZ-XDHOZWIPSA-N	361.401	3.440	30	40	FGEB	
Cn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccccc1	8851569	QHSMQASPZSEVRI-UHFFFAOYSA-N	363.446	3.279	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(C[C@@H](C)CC1=O)N2	22608565	CCJVHVYHKBTEME-HWPZZCPQSA-N	356.451	3.364	30	40	FGEB	
COc1cc(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C(C)C	409409700	WMIZBLLHIFWIGS-KODHJQJWSA-N	352.434	3.268	30	40	FGEB	
COc1cccc(COc2nn(Cc3ccc(F)cc3)c(N)c2C#N)c1	225843066	KVOGLQIKRLLBGN-UHFFFAOYSA-N	352.369	3.112	30	40	FGEB	
Cc1cc(=NC(=O)N2CCc3c(CC#N)cccc3C2)[nH]n1[C@@H](C)C1CC1	585123655	VGSSUBNYVQMBCZ-HNNXBMFYSA-N	363.465	3.241	30	40	FGEB	
C#C[C@]1(O)CC[C@@]2(C)[C@@H](CC3(OCCO3)[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1	253617437	MQTQESZYELRKMR-OARMXLMKSA-N	372.505	3.316	30	40	FGEB	
COc1cccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1	14608166	JTOZMTOMMYRAJF-YJYMSZOUSA-N	362.389	3.295	30	40	FGEB	
CO/N=C/[C@H](C(=O)Nc1cccc(C)c1)C(=O)N(C)c1cccc(C)c1	5418762	FIKAZGRAZFRHIK-KOMLCTQHSA-N	353.422	3.153	30	40	FGEB	
N#CC1(C#N)[C@H](c2cccc(F)c2)[C@H](C(=O)O)N2c3ccccc3C=C[C@@H]21	247751535	SVPDJKRQYKLPDS-GUDVDZBRSA-N	359.360	3.312	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1	2379005	RWQBCKNJAKXHOQ-QGZVFWFLSA-N	353.340	3.278	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)cc1	4583447	VPSBQQKBEIFAPY-UHFFFAOYSA-N	366.421	3.269	30	40	FGEB	
COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(-c2ccccc2Cl)o1	103502830	HBSHDPASNLAVHX-ZDUSSCGKSA-N	360.797	3.075	30	40	FGEB	
C[C@@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)C1	1355140	SPUWZADSORHLPU-GFCCVEGCSA-N	369.446	3.186	30	40	FGEB	
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	2331937	ZYGORYRCFLYRPZ-LSDHHAIUSA-N	352.438	3.425	30	40	FGEB	
C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C	28914583	ZGUBFOKOLGVFLI-JRABBWDTSA-N	353.378	3.312	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1	14168912	UHUDCZCGZACOPV-UHFFFAOYSA-N	364.430	3.257	30	40	FGEB	
Cc1cc(=O)oc2c(C)c(OCC(=O)N(C)C3(C#N)CCCCC3)ccc12	14197950	OWXLZMGCESJHLA-UHFFFAOYSA-N	368.433	3.474	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)OCC)cc2)o1	4511000	AIMIGXDZYFOOFM-UDWIEESQSA-N	357.435	3.107	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3cccc4ncccc34)CC2)cc1	14220082	AGLGSYAYAFORFY-UHFFFAOYSA-N	356.429	3.064	30	40	FGEB	
COc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O	409273993	BFKJUYZDOOKJDN-UHFFFAOYSA-N	372.222	3.358	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1	19932875	LFZGRKNGZGTWBP-OAHLLOKOSA-N	360.417	3.285	30	40	FGEB	
O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(N2CCOCC2)cc1	96663407	YPAQHQRFTJBXER-NBVRZTHBSA-N	365.458	3.415	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)c1	1776001735	ITZGWJNJWXJKIT-AWEZNQCLSA-N	353.813	3.169	30	40	FGEB	
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1	77392893	VEBLBKNOARRMGY-KRWDZBQOSA-N	358.438	3.259	30	40	FGEB	
COc1ccc(/C=N\OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	13633733	FJGRUQUCQGWAHF-NHDPSOOVSA-N	369.446	3.496	30	40	FGEB	
CCOc1ccc(-n2c(C)cc(/C=N/Nc3nc(C)cc(=O)[nH]3)c2C)cc1	17917719	ZTWWJBCSLBCIPG-CIAFOILYSA-N	365.437	3.331	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc(N(C)C)cc2)c(C#N)c1C	5145235	RLPZLIXUMSXHDU-UHFFFAOYSA-N	357.435	3.423	30	40	FGEB	
NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	101007863	SLTNMHJTMFMDRE-YBFXNURJSA-N	371.374	3.253	30	40	FGEB	
N#Cc1cccc(NC(=O)CSc2cc(N3CCCCC3)ncn2)c1	57505527	LAQFIVYNSSOFKK-UHFFFAOYSA-N	353.451	3.069	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100299997	FFRJRVSCSJRNDF-KVPPFWHCSA-N	370.836	3.126	30	40	FGEB	
CC(C)c1n[nH]c(=S)n1CCNC(=O)C(C)(C)c1cccc(C#N)c1	80448136	LVILLFXHHHPHLG-UHFFFAOYSA-N	357.483	3.030	30	40	FGEB	
CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218333117	FZWCZLYJFXVTEJ-CMKODMSKSA-N	369.442	3.008	30	40	FGEB	
Cc1ccc(C)c(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1	256048562	UKALUJZNOOFKRA-UHFFFAOYSA-N	372.476	3.078	30	40	FGEB	
N#CC1(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1	611484070	GWJKKXYJGVNFRY-UHFFFAOYSA-N	354.372	3.258	30	40	FGEB	
O=[N+]([O-])c1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)cc1	3526647	FLMGCIFVNVYKIW-LDADJPATSA-N	371.374	3.167	30	40	FGEB	
OC/C(=N\Nc1ccccc1)c1cccc(/C(CO)=N\Nc2ccccc2)c1	4266037	RHNWEHNPPNHOKZ-KOUJMYIZSA-N	374.444	3.304	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	708379	UVMRHNMVSJBSHM-MRXNPFEDSA-N	356.309	3.223	30	40	FGEB	
COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cc(C)on3)c2)c1	30989955	IBGGCKNYJKFGPX-UHFFFAOYSA-N	360.369	3.422	30	40	FGEB	
CCO/C(O)=C1\C(=O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	102432504	UGBCFZNREJEMEA-JQSQVVPISA-N	368.345	3.058	30	40	FGEB	
Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1	34891242	WTFUPPBIJQTCJO-UHFFFAOYSA-N	371.462	3.026	30	40	FGEB	
COc1cccc(-c2ccc(C#N)c(SCCN3CCOCC3)n2)c1	20528351	OMKSQEIZQOVEPS-UHFFFAOYSA-N	355.463	3.053	30	40	FGEB	
Cc1cc(=O)[nH]c(N/N=C/c2ccccc2OCc2ccccc2F)n1	5009481	IWXNQZMUEOQHOA-SRZZPIQSSA-N	352.369	3.242	30	40	FGEB	
CO/N=C(\C)c1ccc(OCCSc2nnnn2-c2ccccc2)cc1	5447077	STKBJZXKOPDRTN-XSFVSMFZSA-N	369.450	3.204	30	40	FGEB	
N#Cc1cccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)c1	9388718	NGNGWXZEPDXLMU-UHFFFAOYSA-N	364.810	3.174	30	40	FGEB	
CCOc1ccccc1-n1nnnc1S[C@@H](C#N)Cc1ccccc1	6849775	XDUVAPPLPXQDBH-OAHLLOKOSA-N	351.435	3.288	30	40	FGEB	
C=CCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973244	KSXWQQVTBRGFJC-OAQYLSRUSA-N	366.486	3.419	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21	409367986	KZCBMWMIZVROQY-POPCPUAGSA-N	371.440	3.214	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(CC)cc2)C1=O	409078625	HQAWBIXHNINNLL-KAMYIIQDSA-N	359.447	3.207	30	40	FGEB	
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc(OC)c1O	13730880	AOMPUFYUZFXEJJ-INIZCTEOSA-N	356.378	3.270	30	40	FGEB	
CCN/C(=N\c1cccc(F)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O	101081916	HQDJERXNWMJINZ-INIZCTEOSA-N	371.437	3.488	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C)cc1	102930786	OKJZWBQGVJUJQT-UYTDBDHRSA-N	357.431	3.125	30	40	FGEB	
CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccco1	8620497	XYSCQNUERDZMAL-UHFFFAOYSA-N	353.407	3.160	30	40	FGEB	
N#CC1(NC(=O)CSc2nnc(Cc3ccccc3)o2)CCCCC1	6544100	JFQOQLKJNDMXOS-UHFFFAOYSA-N	356.451	3.095	30	40	FGEB	
C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1	5848230	WNCMHOGTAOBEHM-CQSZACIVSA-N	351.406	3.123	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/N1C(=O)NC2(CCCCC2)C1=O	7989528	UZUWAXXEJDRJHY-FYJGNVAPSA-N	365.437	3.078	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3ccsc3)C[C@@H]2c2nccs2)C1=O	306132209	LBQBSXUCINBZNW-QAPCUYQASA-N	359.520	3.209	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218361925	RFLKWMVSTSCAJK-AABGKKOBSA-N	355.459	3.400	30	40	FGEB	
N#Cc1cccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1	47338083	SKVOZKWIHXQTFJ-UHFFFAOYSA-N	352.413	3.483	30	40	FGEB	
C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(F)c1	58215843	PMKYFJKESORTRT-CQSZACIVSA-N	363.396	3.172	30	40	FGEB	
NC(=S)N/N=C1\c2cc(Cl)ccc2-c2c1cc(Cl)cc2[N+](=O)[O-]	17380289	NPHZXJBRYUAQDC-QGOAFFKASA-N	367.217	3.468	30	40	FGEB	
COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21	85409133	GBYHKHUNRNLAFY-MRXNPFEDSA-N	360.373	3.118	30	40	FGEB	
Cc1csc(C(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)c1	1565550458	BDIYDIUJPWKPKC-FQEVSTJZSA-N	365.458	3.197	30	40	FGEB	
COc1cc(/C=C/C(=O)c2c(O)cc(C)oc2=O)ccc1OC(F)F	7719034	ZAWMCHPMPWUPIN-HWKANZROSA-N	352.289	3.160	30	40	FGEB	
C=CCNc1nnc(S[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)s1	2253631	JCWCSVJRFFCSEN-ZDUSSCGKSA-N	374.491	3.177	30	40	FGEB	
CCOc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1OC	28912716	AXWQUCDNPANUPK-GXDHUFHOSA-N	358.415	3.148	30	40	FGEB	
C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1	12930522	MBJXJWRMPLNKDT-UHFFFAOYSA-N	368.458	3.095	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	13013259	YDEPYCNNXFHMQB-IZZDOVSWSA-N	366.442	3.239	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(Cl)cc2)nc1	6407950	YEIFNDNWGOFZED-YBFXNURJSA-N	366.874	3.212	30	40	FGEB	
N#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21	6815807	QGSFOSBRJIKAKL-UHFFFAOYSA-N	367.408	3.131	30	40	FGEB	
N#Cc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1	67060336	IBNYYJPXHFJNAA-GOSISDBHSA-N	357.360	3.120	30	40	FGEB	
C=C(C)CSc1nc2ccc(Br)cc2c(=O)n1C[C@H](C)O	8071249	SWCCHVIRNBIQKF-JTQLQIEISA-N	369.284	3.208	30	40	FGEB	
CCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O	18276894	HGIPHNLSZFNLCP-MRXNPFEDSA-N	369.446	3.333	30	40	FGEB	
CC1(C)S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O	9667506	BGUXKSBXSBEYDN-FBMGVBCBSA-N	360.460	3.290	30	40	FGEB	
COc1ccccc1CN/N=C/c1ccc([N+](=O)[O-])cc1Br	20762573	YSBJIHBZNQNPGB-RQZCQDPDSA-N	364.199	3.490	30	40	FGEB	
Cc1c(Br)cc(C#N)c(=O)n1Cc1csc(C2CC2)n1	185925774	LXECKJXDGJVQEQ-UHFFFAOYSA-N	350.241	3.173	30	40	FGEB	
O=C1OC[C@@H](COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1	169797603	WGMZYOJRAOKCHW-RXMQYKEDSA-N	364.160	3.397	30	40	FGEB	
COc1cccc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1OC	12408594	BCRCIAMUOFOOHM-OAHLLOKOSA-N	370.409	3.309	30	40	FGEB	
OC/C(I)=C/[C@@](F)(OC(F)(F)F)C(F)(F)F	16159361	FXPCHKRRLLUOSG-ROHFWCKQSA-N	367.986	3.062	30	40	FGEB	
N#CCCN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1	4165352	BUCPLBMMROPARX-UHFFFAOYSA-N	354.431	3.497	30	40	FGEB	
C=CCN1c2ccccc2N[C@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	4628920	VWGVBEZKZHABEQ-PWRODBHTSA-N	361.445	3.360	30	40	FGEB	
COc1ccc(-c2ccc(C#N)c(SCC(=O)NC3CC3)n2)cc1OC	658946	BMFNILFFQZPOMK-UHFFFAOYSA-N	369.446	3.008	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1sc(=S)n(C)c1C	4349218	NZVJEIVAGDVDKY-XNTDXEJSSA-N	355.510	3.135	30	40	FGEB	
Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1	8636084	APCQHUZDCMJDFU-RTBURBONSA-N	363.465	3.325	30	40	FGEB	biogenic,in-vitro
CCOP(=O)(OCC)[C@H](N/C=C/C(=O)C(F)(F)F)C(F)(F)F	9137969	KOACMJYRHRQUGR-GJIOHYHPSA-N	357.187	3.376	30	40	FGEB	
N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1	20637774	KJGIRTLXAVRGJP-DOMZBBRYSA-N	367.206	3.480	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1	2637721	LXBSWOPRYDYBIQ-UHFFFAOYSA-N	350.161	3.056	30	40	FGEB	
C=CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1	3364894	IGCIRFNMWWKPET-QGZVFWFLSA-N	372.490	3.049	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1	10314512	OQYVQZHURRFSAS-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1ccc(OC(F)F)cc1	3495393	BSVKCGAYMRPKCF-UHFFFAOYSA-N	352.318	3.017	30	40	FGEB	
CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1	5025893	FJSNSMNAAAEJGI-LSDHHAIUSA-N	352.438	3.426	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1	6238829	CAYCZMKHAALMQG-GOSISDBHSA-N	367.401	3.007	30	40	FGEB	biogenic
COc1ccc(-c2nn(-c3ccccc3)cc2Cn2cnc(C#N)n2)cc1	14143989	JUEOXQZVRPYKGJ-UHFFFAOYSA-N	356.389	3.059	30	40	FGEB	
Cc1noc(CCCC(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)n1	68454719	ZUWKLHDZHIJTAB-ZDUSSCGKSA-N	353.209	3.389	30	40	FGEB	
CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)c1C	7873598	DEDYYTPWYGHDPD-INIZCTEOSA-N	359.470	3.355	30	40	FGEB	
N#C[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	218534783	SNQFDMZDBLOTRL-HRCADAONSA-N	367.257	3.154	30	40	FGEB	
C=CCNC(=O)C1CCN(c2cc(Oc3ccc(CC)cc3)ncn2)CC1	71328243	DHNOSDNMWZMWNZ-UHFFFAOYSA-N	366.465	3.350	30	40	FGEB	
N#Cc1ccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)cc1	47333836	GLPUMRWXBQNKSU-UHFFFAOYSA-N	373.210	3.081	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	239203219	RYZNRFOSCDAQJF-OPLYSGQSSA-N	372.424	3.235	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)c1	1775996299	RJBQNEFAECRJFG-QGZVFWFLSA-N	369.852	3.467	30	40	FGEB	
Cc1ccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)cc1C	2619529	MNQVGVLEJALMQN-UHFFFAOYSA-N	361.496	3.363	30	40	FGEB	
N#CCSc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12	2969075	TXDGKNGTWFIAQB-UHFFFAOYSA-N	362.374	3.468	30	40	FGEB	
C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCCC1	44085737	GCPVVVMBXUGJQE-UHFFFAOYSA-N	372.450	3.359	30	40	FGEB	
CC(C)N1CCc2c(C#N)c(NCCc3ccccc3)n3cnnc3c2C1	20713673	UWKNEKGJJHAURK-UHFFFAOYSA-N	360.465	3.022	30	40	FGEB	
Cc1cc(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)ccc1N1CCCC1=O	10746025	CPBXNMXZAGETDG-HNNXBMFYSA-N	362.433	3.433	30	40	FGEB	
COc1ccc(S[C@@H](C)/C(O)=N/S(=O)(=O)c2c(C)noc2C)cc1	48491681	JMEYESDHWKVVLX-NSHDSACASA-N	370.452	3.126	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	13237795	BLINJZTUPHZDAR-UHFFFAOYSA-N	353.363	3.074	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1	67197866	IADVJYUBGHPAPC-UHFFFAOYSA-N	362.307	3.050	30	40	FGEB	
COC(=O)c1cccc(/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)c1	409231260	JDWMLTIQHGPGAW-OEKFUPINSA-N	357.362	3.084	30	40	FGEB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	5787188	WQGCFNGITAJFSI-VDZJLULYSA-N	373.449	3.484	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(OC)cc1	15609555	VVSCVGGZPLOHIO-UHFFFAOYSA-N	368.433	3.409	30	40	FGEB	
CCN1C(=O)/C(=N\NC(=S)Nc2ccc(C)cc2C)c2ccccc21	6179923	PWZOTURKVOYIJE-FXBPSFAMSA-N	352.463	3.361	30	40	FGEB	
CCOc1cc(/C=N/n2c(CC)n[nH]c2=S)cc(Br)c1O	6451325	ZKAITRNSDOUTFQ-VIZOYTHASA-N	371.260	3.252	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc(OC(F)F)c2)n1	6606063	UVODKWMJCLHCLG-LBPRGKRZSA-N	366.345	3.086	30	40	FGEB	
N#Cc1cc2c(nc1N1CCC(O)(c3ccc(Cl)cc3)CC1)CCOC2	2086923636	WNMBCEPMSCMWGM-UHFFFAOYSA-N	369.852	3.167	30	40	FGEB	
C=CCO[C@@H]1CC2(CCN(C(=O)[C@H]3[C@H]4COC[C@H]43)CC2)c2cc(C)ccc21	1565543047	KIQYPLFUQYXSGZ-KOUHRCEDSA-N	367.489	3.395	30	40	FGEB	
C/N=C1/S[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C	102401965	NYIFUFFIKGZIDL-QBNCKDSPSA-N	369.446	3.367	30	40	FGEB	
CCCCCCCCCCCCN(CCOCCO)CCOCCO	100923412	NUSMTFFYLONGGV-UHFFFAOYSA-N	361.567	3.227	30	40	FGEB	
N#CCc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1	12817190	GZEKKYBGDBUEGL-UHFFFAOYSA-N	360.417	3.108	30	40	FGEB	
COc1cccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)c1O	5443433	RMCMSUNNRIEBDG-YSURURNPSA-N	374.404	3.035	30	40	FGEB	
CCCCOc1ccc(/C=N/N(C)C2=NS(=O)(=O)c3ccccc32)cc1	4681238	BXUOHORJSRNKGJ-XSFVSMFZSA-N	371.462	3.280	30	40	FGEB	
COc1cc(Br)cc(-c2c3c([nH]c(=N)c2C#N)CCCC3)c1O	408813757	DPDAGLBYRKSKKJ-UHFFFAOYSA-N	374.238	3.388	30	40	FGEB	
CN(CC#CCNC(=O)C12CC3CC(CC(C3)C1)C2)Cc1ccccc1	75165113	IKENINOMEFYASC-UHFFFAOYSA-N	350.506	3.454	30	40	FGEB	
C=CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl	224328104	XENGBEVSGLQNJQ-UHFFFAOYSA-N	364.854	3.081	30	40	FGEB	
C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1	224712664	NJJYHZJRULTFQS-UHFFFAOYSA-N	365.838	3.493	30	40	FGEB	
CC(=O)Nc1ccc(CN2CCC[C@H](COc3cc(C#N)ccn3)C2)cc1	1776008346	BMBSZBSUZHTYMR-IBGZPJMESA-N	364.449	3.203	30	40	FGEB	
COc1ccc(/C=N/N=C2\NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1	821594	WMZISVPXHMWRGW-LPYMAVHISA-N	367.449	3.417	30	40	FGEB	
C=CCNC(=S)NN=Cc1ccccc1OCCOc1ccccc1	13151756	UBSPEQLOOXTUHN-UHFFFAOYSA-N	355.463	3.128	30	40	FGEB	
C#C[C@@](C)(CC)NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1	1446100	FKFCWFJQXZJUTE-INIZCTEOSA-N	350.344	3.157	30	40	FGEB	
C[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O	100895838	YIIRFWXDYNUXOM-YFUPBZDXSA-N	370.471	3.167	30	40	FGEB	
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@]1(O)CC(=O)C(CO)=CC1=O	218103442	WNDYBUMSCQZGJO-MZTRBVECSA-N	360.494	3.367	30	40	FGEB	biogenic,in-vitro
COc1cc(OC)c(C2=CCN(c3ccc(C#N)cn3)CC2)c(OC)c1	32869704	YVTNYJSTIMOCGB-UHFFFAOYSA-N	351.406	3.273	30	40	FGEB	
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(OC)c(OC)c1	10042011	YHHHMASHGGMNHJ-IGUAEOCPSA-N	371.389	3.445	30	40	FGEB	
O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)/C1=C(\O)c1ccccc1	102857579	SMTGSSFQAGDNEB-GHNGSUTGSA-N	360.369	3.297	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc(OC)c1O	60203632	NMSHSSCVENBIGV-VOTSOKGWSA-N	369.373	3.262	30	40	FGEB	
CCCCOc1ccc2ccccc2c1/C=N/Nc1nc(=O)[nH]nc1C	4422773	OUTJDUCTGYNEMX-UDWIEESQSA-N	351.410	3.251	30	40	FGEB	
COc1ccccc1-c1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1C	14095673	JIDBXSYEHROPMW-UHFFFAOYSA-N	367.390	3.422	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2	4814184	KVSQZEVMOLCKTA-OAHLLOKOSA-N	371.422	3.320	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2	9484264	NRJCUPNUCZIDTF-XIKOKIGWSA-N	350.353	3.426	30	40	FGEB	
Cc1cc(NCCO)nc(N2CCC(Cc3ccccc3)CC2)c1C#N	71279755	FMSNMENCWIFQRA-UHFFFAOYSA-N	350.466	3.125	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c(Br)c2)CC1	95081642	ZXAKCJIKKRFAKR-UHFFFAOYSA-N	366.259	3.378	30	40	FGEB	
Cc1ccc(S(=O)(=O)OCC[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1	953096189	XFSQLGLXVNCZGK-GASCZTMLSA-N	354.468	3.458	30	40	FGEB	
N#CC1(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2)CCCCC1	595367053	YGTUFUFNINYLDM-UHFFFAOYSA-N	360.401	3.311	30	40	FGEB	
C=CCNC(=O)/C(=C\c1ccc(OCC)cc1)NC(=O)c1ccccc1	13550031	LJCWUPJXXIYXSP-XDJHFCHBSA-N	350.418	3.158	30	40	FGEB	
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C)o1	6907953	AKGIVNZIECPGBG-AWEZNQCLSA-N	357.435	3.348	30	40	FGEB	
Cn1cc([C@@H]2CN(C(=O)CCc3ccc(C#N)cc3)Cc3ccccc32)cn1	585406078	AQWLZNQUKGARCO-QFIPXVFZSA-N	370.456	3.399	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc3c(c2)N(CC=C)C(=O)CO3)cc1	32593382	GIJMEKNWZLWVMC-UHFFFAOYSA-N	364.401	3.415	30	40	FGEB	
C#CCOc1nc(OCC#C)nc(N(c2ccccc2)c2ccccc2)n1	3092902	KUFZFRDGUOZDPJ-UHFFFAOYSA-N	356.385	3.365	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccccc1OCc1cccc(Cl)c1	4422701	GBDKLGUZGKVTLW-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccccc1C#N	7823926	SFJLDOLYDGPYEK-UHFFFAOYSA-N	374.444	3.115	30	40	FGEB	
C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1O	409235957	QUSSXNGHIZGQQJ-GZTJUZNOSA-N	364.401	3.222	30	40	FGEB	
C#CC[C@@H](CC)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	97010058	CHIVKJZMDJIFLW-CQSZACIVSA-N	369.387	3.465	30	40	FGEB	
Oc1cccc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)c1	408733009	VAEGKAGOJZNGAI-HYARGMPZSA-N	356.385	3.372	30	40	FGEB	
C=CCN1C[C@H]2CN(C(=O)CC(F)(F)F)CC[C@@]2(c2ccccc2)C1	248144549	DFLHKAJYIUUBFE-WMZOPIPTSA-N	352.400	3.227	30	40	FGEB	
CC1(C)OB([C@@H]2CCN(C(=O)NCC3(C#N)CCCCC3)C2)OC1(C)C	1776007461	DUVACGSFAADKLC-OAHLLOKOSA-N	361.295	3.338	30	40	FGEB	
C=C[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O	1131680	BBZAWPZMNHEPLP-RFRKOGIWSA-N	358.463	3.442	30	40	FGEB	
CC(C)(C)c1ccc(OCC2CCN(c3ccc(C#N)cn3)CC2)nn1	1775965716	BQSVFCZXAWOTHD-UHFFFAOYSA-N	351.454	3.336	30	40	FGEB	
C/C(O)=C1/C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(C(C)C)cc1	101152724	ZQYWRDRYFHRWOR-VZWFDDOASA-N	367.449	3.381	30	40	FGEB	
CC1(C)CC(=O)C(=NNc2ccc(I)cc2)C(=O)C1	672229	AQLACNSSOUDPDX-UHFFFAOYSA-N	370.190	3.017	30	40	FGEB	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1	53527220	PSBLFVYATXGRKG-RISCZKNCSA-N	362.393	3.098	30	40	FGEB	
C=CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1=S	4739083	OOUPCRGHCSDEFJ-UHFFFAOYSA-N	357.266	3.406	30	40	FGEB	
COc1c2c(cc3c1[C@H](C(=O)Nc1cccc(C)c1)[N+](C)(C)CC3)OCO2	1825798	NBTKCXGKZIRSIK-GOSISDBHSA-O	369.441	3.045	30	40	FGEB	biogenic
O=C(NCCc1nnc2ccccn12)c1ccc(C#Cc2ccccc2)cc1	10042988	JTEMNANRKYAIKE-UHFFFAOYSA-N	366.424	3.102	30	40	FGEB	
COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3)cc2)ncn1	100689117	YYVHBRAYKZYYNO-XDHOZWIPSA-N	368.418	3.037	30	40	FGEB	
Cc1cc(=O)oc2cc(OCC(=O)N(CCC#N)c3ccccc3)ccc12	3368008	YSAUASSZOSNZFE-UHFFFAOYSA-N	362.385	3.427	30	40	FGEB	
O=C(O)C(C(=O)/C=C/c1ccc2c(c1)OCO2)=C1SCCCS1	62716090	KWSZTMGOQVFIOR-DUXPYHPUSA-N	350.417	3.164	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl	4680669	FDTYGKVZPIDRNJ-KPKJPENVSA-N	369.229	3.112	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/C=C/c1ccc([N+](=O)[O-])o1	4785801	XAGSVFRZXCLTER-CUJJRKTESA-N	367.452	3.407	30	40	FGEB	
CN(c1cccc(C#N)c1)[C@H]1CCN(c2nc(C(F)(F)F)ns2)C1	1651192349	CFDXZAOWJFQANK-LBPRGKRZSA-N	353.373	3.144	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1	6374819	OUMJUOPWDZWILS-DHZHZOJOSA-N	368.477	3.420	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	40089715	OTPIXRYRQCXFCK-VVFCZOMOSA-N	357.498	3.373	30	40	FGEB	
C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(N(C)C)c([N+](=O)[O-])c1	23715236	AOBURNUBOATVDY-SFHVURJKSA-N	352.394	3.413	30	40	FGEB	
Oc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1	100222529	UTIOCIIPXALBEQ-LICLKQGHSA-N	351.200	3.335	30	40	FGEB	
CCc1ccc2nc(N=C3NCN(Cc4ccccc4)CN3)nc(C)c2c1	19320771	VQTIWTCILNQHFT-UHFFFAOYSA-N	360.465	3.098	30	40	FGEB	
COCCN(Cc1nnc(-c2cccs2)o1)Cc1ccc(C#N)cc1F	25432012	MBLBIRHFEVBTBK-UHFFFAOYSA-N	372.425	3.457	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COc1ncnc2sccc12	3405596	ABDLPOWZQGPVKU-UHFFFAOYSA-N	356.432	3.324	30	40	FGEB	
CC(C)N1/C(=C/c2ccc3c(c2)OCO3)C(=O)c2ccccc2S1(=O)=O	9048128	DQBQBFYIKKVZOM-OQLLNIDSSA-N	371.414	3.052	30	40	FGEB	
N#CCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1	408748489	AXDSHMRAVPBKAE-NBLIUIFLSA-N	367.455	3.223	30	40	FGEB	
C=CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(s1)CCCC2	5511213	NGRYKDMGGAJIJH-MRXNPFEDSA-N	356.447	3.381	30	40	FGEB	
COc1ccc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)c(OC)c1	5555332	XJSGCXPWIMCSTM-CXUHLZMHSA-N	356.403	3.301	30	40	FGEB	
COc1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1OCC(N)=O	6649161	ZWJZZHPHILBNHD-LSFURLLWSA-N	367.327	3.024	30	40	FGEB	
C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1	5784513	UMOBPIIFAUUBFM-MRVPVSSYSA-N	355.876	3.304	30	40	FGEB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(O)c(OC)c1	408736391	BLLALONRHSAEEI-LASGFXPTSA-N	352.390	3.085	30	40	FGEB	
CC(=O)c1cn(C/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)c2ccccc12	95475766	CEMYFHWBQUTQDO-HNNXBMFYSA-N	353.382	3.102	30	40	FGEB	
CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c2ccccc21	250456694	RNYNZSGHBQAGSD-UNJHPDOXSA-N	373.456	3.357	30	40	FGEB	
CC1(C)OB(c2cccc(NC(=O)NCc3cccs3)c2)OC1(C)C	1775954689	JKBPSQFWCRAJBH-UHFFFAOYSA-N	358.272	3.369	30	40	FGEB	
CC[C@@H](C(=O)NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1	90730803	PCQNCIYKQBCSSL-GOSISDBHSA-N	351.402	3.108	30	40	FGEB	
N#CCC(=O)c1ccc(Br)c(F)c1I	98210952	DZOQAFLHPPFUFF-UHFFFAOYSA-N	367.943	3.289	30	40	FGEB	
Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1ncn([C@@H]2CCCCO2)n1	203572500	RZWFLHBQJYPCPX-KRWDZBQOSA-N	369.274	3.252	30	40	FGEB	
NC(=S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	4739611	GZIKGPJAVOHGMS-GIJQJNRQSA-N	364.268	3.195	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC[C@H](COc3ccnc(C)c3)C2)n1	1889108759	CRCXHYRVIFSDEP-AWEZNQCLSA-N	355.467	3.069	30	40	FGEB	
CCN(CC)c1ccc([C@H]2C3=C(Nc4nnnn42)c2ccccc2C3=O)cc1	20102600	QNSUIRMAHSWLIF-IBGZPJMESA-N	372.432	3.142	30	40	FGEB	
CCOc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccc(C)cc3)N2)cc1	987723	ZJNVPAWCZJTGJV-KRWDZBQOSA-N	366.421	3.338	30	40	FGEB	
COc1ccc(/C=N/O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC	107445672	NIMPWLUOSZASHB-LYQLQELCSA-N	374.481	3.384	30	40	FGEB	
C=CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl	20492156	GEUIWZDFSDPIMC-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
CN(C)/C=C(\C(=O)c1cccc(F)c1)c1nnnn1-c1ccc(Cl)cc1	4452646	AUSLGGSYNLLPGB-LFIBNONCSA-N	371.803	3.240	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)c1	4745026	MCHXZUFPNYHKTA-LDADJPATSA-N	355.375	3.060	30	40	FGEB	
Cc1ccc(OCC(=O)O/N=C(\N)c2ccc(OC(F)(F)F)cc2)cc1	6758985	INWIRYDYDOGJOX-UHFFFAOYSA-N	368.311	3.136	30	40	FGEB	
CCOc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)OC)c(N)c23)cc1	19830911	QPOFBONQGFKGSR-UHFFFAOYSA-N	368.418	3.185	30	40	FGEB	
COCc1cc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1OC	7352232	CAZIWTILUZQFQY-FNORWQNLSA-N	358.390	3.461	30	40	FGEB	
COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2sccc2C#N)cc1	7625078	FEBCRBDEIHHMNP-GFCCVEGCSA-N	358.419	3.131	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccs2)no1	16955648	VDFSNJTVQHRIDQ-AWEZNQCLSA-N	356.359	3.420	30	40	FGEB	
CN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1cccc(C(=O)O)c1	33350858	ZRJFMNSBZWMJDT-MIQHFYGNSA-N	354.387	3.324	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1	225007452	BRAVRULHPHERTD-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
CC1(C)Cc2c(C#N)c(NCCCO)nc(Cc3ccccc3)c2CO1	13511237	GSICIJARKDTSBY-UHFFFAOYSA-N	351.450	3.190	30	40	FGEB	
CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnnn1-c1ccccc1	13659607	GTDRZAATPMMBHF-XDJHFCHBSA-N	372.841	3.422	30	40	FGEB	
C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CC(C)C)ccc21	9167050	ZNFWNPWNTCNBKB-UHFFFAOYSA-N	366.483	3.022	30	40	FGEB	
N#Cc1cccc(NC(=O)C[S@@](=O)Cc2cccc(C(F)(F)F)c2)c1	32801047	ACRWLAOGNHMQMG-RUZDIDTESA-N	366.364	3.464	30	40	FGEB	
CCc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	804780	JLNMQHLZOYUOTD-INIZCTEOSA-N	355.434	3.349	30	40	FGEB	
C[C@@H](Oc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1)C(=O)O	59679788	MMNFBMQXNOQXHM-COOUDCDJSA-N	368.414	3.430	30	40	FGEB	
C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(F)c(F)c1	12855855	JJRWQNSFMWRHSN-LLVKDONJSA-N	372.327	3.245	30	40	FGEB	
CN(CCC#N)C(=O)CSc1nc(-c2ccco2)nc2ccccc12	14108411	SRVIMBIWXMLGDO-UHFFFAOYSA-N	352.419	3.354	30	40	FGEB	
Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1	6925474	PTPGRNLZUNWAPB-CMDGGOBGSA-N	353.334	3.396	30	40	FGEB	
Cc1csc2nc(CSCCOc3ccc(C#N)cc3)cc(=O)n12	8752880	VJENMNFEDABZKW-UHFFFAOYSA-N	357.460	3.248	30	40	FGEB	
CCCc1c(N=c2ccc3ncc[nH]c-3n2)cnn1-c1cccc(C#N)c1	527118867	IWDFSHUJMKWHRY-UHFFFAOYSA-N	355.405	3.152	30	40	FGEB	
O=C(ON1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)c1cccnc1	138833692	RGHKTMFIECVAGR-UHFFFAOYSA-N	352.733	3.256	30	40	FGEB	
N#Cc1ccc(Cn2cc(O[C@@H]3CCC[C@@H]3N)cn2)c(C(F)(F)F)c1	1775958392	WLJPSQAIFPWQTM-JKSUJKDBSA-N	350.344	3.080	30	40	FGEB	
N#Cc1c(NCCN2CCOCC2)nc(-c2ccccc2)c2c1CCCC2	20589627	KONDQAMWVFLFCG-UHFFFAOYSA-N	362.477	3.243	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)s1	32891690	DMCMJHUQYGBLQA-UHFFFAOYSA-N	366.468	3.468	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1	6238831	BLSPSBGQDIYUPG-GOSISDBHSA-N	369.392	3.441	30	40	FGEB	
C[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN1Cc1cc(C#N)ccc1F	26669743	CCFCMDOFEOONKQ-OAHLLOKOSA-N	366.415	3.414	30	40	FGEB	
C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc21	104542682	BLBBMVXMIKQJBR-FKYDJDFASA-N	359.429	3.277	30	40	FGEB	
CCc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1	6123916	NAQRUTFFANDYAF-GZTJUZNOSA-N	367.268	3.324	30	40	FGEB	
C#CCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21	4784645	NMYUZJRTFPJWHD-RBZFPXEDSA-N	353.805	3.026	30	40	FGEB	
C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)NC1(C#N)CCCCC1	5848214	WNCMHOGTAOBEHM-AWEZNQCLSA-N	351.406	3.123	30	40	FGEB	
N#CCCCOc1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1	47734890	DHNYTCPYKLFAOB-UHFFFAOYSA-N	353.378	3.420	30	40	FGEB	
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224890786	WYGBYEPZGVZHGW-UHFFFAOYSA-N	374.462	3.425	30	40	FGEB	
Cc1ccc(S(=O)(=O)OCCc2cccc3c2OC(F)(F)O3)cc1	96171556	JRKBKVRSBLETFX-UHFFFAOYSA-N	356.346	3.265	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)o1	97601503	HIDAGMRMSQPNGL-UHFFFAOYSA-N	371.809	3.387	30	40	FGEB	
N/C(=N/OCCOc1ccc2c(c1)CCC(=O)N2)c1cc2ccccc2o1	88522302	ANRAGYKXCDGQGC-UHFFFAOYSA-N	365.389	3.033	30	40	FGEB	
COc1ccc2c(c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCCO2	4158627	JFOXYDALZWKCBP-VCHYOVAHSA-N	372.337	3.283	30	40	FGEB	
CCn1nccc1[C@H]1C/C(=C2/C(=O)C=C(C)OC2=O)Nc2ccccc2N1	102449953	WSSLLOZLWCSDDA-ZBQKJFDRSA-N	364.405	3.156	30	40	FGEB	
CCOC(=Nc1sc2c(c1-c1nnn[nH]1)C[C@@](C)(CC)OC2)OCC	12389281	DHOSOELSSFFBEA-MRXNPFEDSA-N	365.459	3.230	30	40	FGEB	
CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1(C)C	47460769	AQAPCVIWQCEVEE-NVXWUHKLSA-N	368.481	3.311	30	40	FGEB	
N#CCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	6362285	INQNLLIAXGXAOI-UHFFFAOYSA-N	357.254	3.377	30	40	FGEB	
CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1	12913340	DUBGBQFOLFQSII-UHFFFAOYSA-N	361.445	3.280	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)nc1	12901461	VZTZUOMPGBEOIM-UHFFFAOYSA-N	368.868	3.182	30	40	FGEB	
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc[nH]1	409086337	ZCGNANLCEDZFAV-VYFZGASISA-N	367.408	3.241	30	40	FGEB	
COc1cccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)c1O	4342173	RSUOITNZDNIOLU-KEBDBYFISA-N	370.796	3.046	30	40	FGEB	
COc1cc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)ccc1OC(F)F	5347203	ZYBHTDKTDMNGCS-KCJUWKMLSA-N	373.402	3.099	30	40	FGEB	
N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)o1	409162672	YJYJMDHZCMXLPK-ZPZYOLQUSA-N	371.396	3.349	30	40	FGEB	
C/N=C1/S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C	408929034	GNUOQBGRXCURLZ-VLBNXZJUSA-N	350.241	3.462	30	40	FGEB	
C#CCN1CCC[C@@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)C1	19529999	NEVKGZYSYWEXPD-GCJKJVERSA-N	368.477	3.157	30	40	FGEB	
O=C(/C=C/N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(F)cc1	19594496	HSOMWWVCKCXUDM-BBVFFXRHSA-N	352.365	3.289	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O	169703838	OCXRSLZMMPCDEY-MGRLSVNRSA-N	358.825	3.270	30	40	FGEB	
Cc1nc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)sc1SCC#N	53650587	FOQDJQSRANPTDU-LLVKDONJSA-N	374.491	3.214	30	40	FGEB	
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CC1	7235291	YAZAFHMHYRJMMZ-UHFFFAOYSA-N	373.507	3.235	30	40	FGEB	
C=CCn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21	5024651	FPXUHZHTZRDFDU-UHFFFAOYSA-N	371.444	3.325	30	40	FGEB	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1	14373952	KWZVLCBISPIWNV-CQSZACIVSA-N	352.413	3.186	30	40	FGEB	
C(=N\c1ccc(N2CCOCC2)cc1)\c1ccccc1N1CCOCC1	408931859	RDSQAVGIBZDCSP-XLNRJJMWSA-N	351.450	3.110	30	40	FGEB	
N#Cc1ccc2nc(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)[nH]c2c1	96112280	UPBJQGTVIHBEDU-APWZRJJASA-N	350.397	3.174	30	40	FGEB	biogenic,in-vitro
Cc1nsc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1C#N	585706031	BEOBRCAFKLMVIG-UHFFFAOYSA-N	357.435	3.212	30	40	FGEB	
COc1ccc(C2(NC(C)=O)CCN(Cc3ccc(C#N)cc3)CC2)cc1	13562946	AIOMYMAAOJOQPE-UHFFFAOYSA-N	363.461	3.194	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cn([C@@H](C)CC)c3ccccc23)C(=O)NC1=S	15013119	JMTZEFVIHVQALI-RERGGYADSA-N	367.474	3.425	30	40	FGEB	
CN1C(=O)C(=O)/C(=C(\O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	102861211	HUVNWCPTGWGIEV-VZHUHSAUSA-N	372.764	3.300	30	40	FGEB	
C#CCN(C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)C1CCCCC1	103469544	CKWYTZDNYQPUGP-UHFFFAOYSA-N	369.490	3.113	30	40	FGEB	
Cc1c(C#N)c2ccccn2c1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3198398	SMACBJKXXARBKD-UHFFFAOYSA-N	350.290	3.167	30	40	FGEB	
N#CCn1c(CN2CCC[C@H]2c2cccs2)nc2ccccc2c1=O	53096096	WJUPZNPFOPKYFI-INIZCTEOSA-N	350.447	3.319	30	40	FGEB	
CC(=O)c1ccc(N2CCN(Cc3cn4ccccc4c3C#N)CC2)cc1	12516398	GPUVOJNZQAHVGM-UHFFFAOYSA-N	358.445	3.336	30	40	FGEB	
C=CC/N=C1\S[C@H](CC(=O)Nc2ccc(OCC)cc2)C(=O)N1CC=C	4682470	OHEHFMJWMPXVQJ-DVSFIDLUSA-N	373.478	3.086	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1	4782831	MZBPLADCEVQJKL-ORAYPTAESA-N	362.389	3.295	30	40	FGEB	
COc1cc(OC)cc(C(=O)O/N=C2/C[C@H](C)Oc3cc(OC)ccc32)c1	8267824	PEVYQVQXOQLOCS-LCDJAWGCSA-N	371.389	3.445	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1	4518027	OURZDACSGRNDTH-LLVKDONJSA-N	374.487	3.400	30	40	FGEB	
C[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O	100895843	LSTIRXMYIOVILX-DUUUWJQVSA-N	364.423	3.039	30	40	FGEB	
N#Cc1ccc(-c2nc([C@H]3CC(=O)N(Cc4cccs4)C3)no2)cc1	44214006	ZWDRHEWAIMRZSC-AWEZNQCLSA-N	350.403	3.186	30	40	FGEB	
C=CCn1c(=S)sc2c(=O)n(CCOc3ccccc3F)cnc21	12513106	UIOVKYQFZIMJQN-UHFFFAOYSA-N	363.439	3.393	30	40	FGEB	
CCOc1ccccc1OCCCC(=O)N[C@@](C)(C#N)CCOC(C)C	84811033	HVZITLFKVRPQQY-HXUWFJFHSA-N	362.470	3.458	30	40	FGEB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)c1	4712262	YONDZRQJIZPKNI-DEDYPNTBSA-N	364.430	3.496	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(N2CCCC2)c(C)c1	8356801	VLFFSVVHZCSZTL-UHFFFAOYSA-N	371.510	3.412	30	40	FGEB	
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(CC(C)C)n2)cc1	225893568	QXEOMYGISOOUOH-UHFFFAOYSA-N	356.451	3.208	30	40	FGEB	
C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224751762	AGSALECZOWUGRO-UHFFFAOYSA-N	357.391	3.042	30	40	FGEB	
Cc1cc(F)c(C#N)c(NCC2(S(=O)(=O)NC(C)(C)C)CCC2)c1	1652218101	ZJLLBTBHUADMQS-UHFFFAOYSA-N	353.463	3.058	30	40	FGEB	
COc1cccc(NC(=S)N/N=C(\C)c2cccc(NC(C)=O)c2)c1	6406887	URXJXSABJAMATK-CIAFOILYSA-N	356.451	3.364	30	40	FGEB	
Cc1cc(C)n2ncc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2n1	40069359	HAQNXGFLTFZAEZ-UHFFFAOYSA-N	367.412	3.393	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	102800483	WVUFGXSTGAPOJU-GROYHEBESA-N	371.820	3.408	30	40	FGEB	
C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cn2cncn2)cc1	55891681	ARNGCANYLYDPKO-UHFFFAOYSA-N	362.433	3.163	30	40	FGEB	
COc1ccccc1[C@@H](C(C#N)C#N)[C@@H]1C(=O)N(Cc2ccccc2)N=C1C	100564436	LUORPJDVYTXPIN-NHCUHLMSSA-N	372.428	3.477	30	40	FGEB	
COC(C/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O)OC	100643595	KAPIZUKEILRQDM-HYARGMPZSA-N	366.417	3.124	30	40	FGEB	
C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)Nc1cccc(C#N)c1	4267551	VMMRCFUGVAGPDD-LLVKDONJSA-N	362.418	3.202	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1	217568109	NODSONGIEKSTRD-UHFFFAOYSA-N	364.467	3.152	30	40	FGEB	
Cc1cc(=O)oc2cc(OCC(=O)N[C@@](C)(C#N)C(C)C)c(Cl)cc12	6365552	JYYWFFOSKUSFBH-SFHVURJKSA-N	362.813	3.188	30	40	FGEB	
N#Cc1ccnc(OC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)c1	1776008832	PNUSYZNWDKDNKI-SFHVURJKSA-N	365.433	3.015	30	40	FGEB	
O=C1C(O)=C(CC2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21	104064579	IZSITCOQYPAKPE-UHFFFAOYSA-N	360.321	3.159	30	40	FGEB	biogenic
CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)c2cnc(F)cc21	953064964	SITDJFGLHIRTJR-UHFFFAOYSA-N	362.210	3.258	30	40	FGEB	
Cc1ccc(CN2CCN(/N=C\c3cccc([N+](=O)[O-])c3)CC2)c(C)c1	19791044	UEOWIYVGOTXFDR-STZFKDTASA-N	352.438	3.363	30	40	FGEB	
C#Cc1cccc(NS(=O)(=O)c2cc(Br)cnc2Cl)c1	40135047	OJJZOWVLDJLKHJ-UHFFFAOYSA-N	371.643	3.280	30	40	FGEB	
O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1	102864167	NRYHKZBHYZKEHR-NLWPQFNZSA-N	369.442	3.349	30	40	FGEB	
N#CCCN(C(=O)COC(=O)c1cc(Cl)ccc1O)c1ccccc1	4808737	YKKZIQOMGKXIIO-UHFFFAOYSA-N	358.781	3.149	30	40	FGEB	
COc1cccc(/C=N/c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1	5416280	UOFUDNGLAXDKQV-WOJGMQOQSA-N	352.843	3.350	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nncn2-c2ccccc2C)n1	9322074	VZEWQUABGRJYPR-ZDUSSCGKSA-N	369.475	3.309	30	40	FGEB	
CC(C)c1ccc(NC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1	12630464	UEQLKPHKMVPXCK-UHFFFAOYSA-N	351.406	3.275	30	40	FGEB	
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c(OC)c1	12947037	FLLQXWPPSGXMIY-GOSISDBHSA-N	372.446	3.101	30	40	FGEB	
CC(C)Cc1nc(C#N)c(NC[C@H](c2ccccc2)N2CCOCC2)o1	27748692	CZPIOWFOFMYZGW-GOSISDBHSA-N	354.454	3.230	30	40	FGEB	
CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C)cc1	40130518	GFAGYKMUWLVQBC-LJQANCHMSA-N	370.474	3.049	30	40	FGEB	
CCOc1ccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)cc1	57523437	VMLYAUKTWRZGKU-HNNXBMFYSA-N	354.406	3.423	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)CCn1ncc(=O)c2ccccc21	58213525	YYNNIUPEXHLYPG-UHFFFAOYSA-N	365.408	3.141	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N/c1ccc([N+](=O)[O-])cc1C	409248700	IBIIPSQIOZZTFO-DEDYPNTBSA-N	355.394	3.499	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1	2298187284	SIHGDLUXHWLERJ-HNNXBMFYSA-N	362.424	3.044	30	40	FGEB	
C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12	1326056	XKZKLBJRDSPLEL-LBPRGKRZSA-N	353.451	3.187	30	40	FGEB	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C#N)cc2)n2ncnc2N1	1467324	SSISCKCTUSDZMB-LJQANCHMSA-N	371.400	3.182	30	40	FGEB	
N#Cc1cn(CC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O	57739662	GOSSXXMMZFDOHQ-IBGZPJMESA-N	357.413	3.067	30	40	FGEB	
COc1cc(C(=O)N(CC#N)CC#N)ccc1OCc1ccc(Cl)cc1	58162112	OSZLLEIRVULPSQ-UHFFFAOYSA-N	369.808	3.417	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1ccc(OC)c(OC)c1	2254834	HLEQAPQRMROJSR-MXDDHBLUSA-N	368.524	3.481	30	40	FGEB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	19315053	YBSHMAVZGUXDPG-LJQANCHMSA-N	369.417	3.335	30	40	FGEB	
COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCc2sccc2C1	12921094	NIGWXPHQNSZQIG-UHFFFAOYSA-N	362.838	3.245	30	40	FGEB	
COc1cccc(/C=N/c2ccc(C(=O)O)cc2C)c1O[C@H](C)C(=O)O	409233604	GTJQNCNDUITHKU-HMASQMOLSA-N	357.362	3.304	30	40	FGEB	
CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409361154	QJDPARHVABEHRX-UHFFFAOYSA-N	373.796	3.045	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)c2cc(C)c(OC)cc2C)s1	225178937	KUIMQDAITVWNFZ-UHFFFAOYSA-N	371.509	3.242	30	40	FGEB	
Cc1cc([C@H]2CCCN2/C(O)=N/CCc2nn(C)c3ccccc23)on1	330095619	VUVXPDDKKBMPLY-QGZVFWFLSA-N	353.426	3.163	30	40	FGEB	
CN(C(=O)OC(C)(C)C)[C@H](CNc1nccnc1C#N)Cc1ccccc1	685939898	JWZGMHKYEBIXQR-INIZCTEOSA-N	367.453	3.238	30	40	FGEB	
CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C#N)cc1	15360384	XTBXGJGQVCWEKG-UHFFFAOYSA-N	369.490	3.369	30	40	FGEB	
C#CCN1CCC[C@@](C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)C1	19529995	NEVKGZYSYWEXPD-AVRDEDQJSA-N	368.477	3.157	30	40	FGEB	
CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1	77379774	ZEYAPARXDBAHOM-UHFFFAOYSA-N	364.449	3.423	30	40	FGEB	
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc([N+](=O)[O-])cc1	10002165	IHAAMTUJWINPPX-HBTZSIKTSA-N	356.334	3.336	30	40	FGEB	
COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc([N+](=O)[O-])c1)=C2	62001807	SXSVKXJZEHKCOI-UHFFFAOYSA-N	368.389	3.324	30	40	FGEB	biogenic
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(CC2CCCC2)CC1	58197800	YOUCZZHVAAAKIC-MRXNPFEDSA-N	355.482	3.096	30	40	FGEB	
CN(Cc1c(F)cccc1Cl)Cc1nc2ccccc2c(=O)n1CC#N	14808248	AVDSSQDPICLRQL-UHFFFAOYSA-N	370.815	3.345	30	40	FGEB	
COC(=O)c1sc(NC(=O)COc2ccccc2Cl)c(C#N)c1C	4815459	WAPWACUEONWVBY-UHFFFAOYSA-N	364.810	3.386	30	40	FGEB	
C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccncc1	5847658	XQWNKGPHUHCVGM-CQSZACIVSA-N	366.446	3.008	30	40	FGEB	
CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1	7247558	DOQKAGJCDGSDFO-UHFFFAOYSA-N	354.353	3.398	30	40	FGEB	
CCN1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1	70715121	GITNKAWLTOEBDH-UHFFFAOYSA-N	351.475	3.487	30	40	FGEB	
COCCNC(=S)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	89414703	ODGOLVKWQWAVAK-RWZYYMRUSA-N	355.463	3.025	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	34878562	GFMCRYXBRQJZED-GQCTYLIASA-N	359.334	3.222	30	40	FGEB	
Cc1ccccc1-n1cnnc1SCC(=O)N(C)C1(C#N)CCCCC1	6831435	QZZQZKPRMFRIRC-UHFFFAOYSA-N	369.494	3.353	30	40	FGEB	
N#Cc1ncccc1N1CC[C@H](COc2ccc(-c3ccccc3)nn2)C1	1888897644	LYCGTCLNTIZMEO-INIZCTEOSA-N	357.417	3.316	30	40	FGEB	
C=C(C)Cn1c(=O)n2nc(-c3ccncc3)nc2c2c(C)c(C)sc21	31818948	GYHHDYNOFWGFOB-UHFFFAOYSA-N	351.435	3.361	30	40	FGEB	
CCCC(=O)C1=C(Nc2ccccc2N)CC(C)(C)[C@@H](C(=O)OC)C1=O	102174973	CPZHRYGZZKASPS-QGZVFWFLSA-N	358.438	3.092	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1	10368077	MDZBGEHJIDHDIK-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
C=C1C(=O)O[C@@H]2/C=C(/C(=O)O)CC/C=C(/C)C[C@@H](OC(=O)/C=C(\C)CC)[C@@H]12	104207636	ILNNCSSDKBHGFO-RJBVUSTBSA-N	374.433	3.494	30	40	FGEB	
COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc2c(c1)CCN2C(C)=O	12901941	PICHFGBUUBLUPV-ZDUSSCGKSA-N	364.401	3.126	30	40	FGEB	
COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)cc1OC	64690953	UOMPTHFNICXTBV-UHFFFAOYSA-N	373.789	3.190	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1C(N)=O	14242498	IDSJBIJBBHLJFW-UHFFFAOYSA-N	364.854	3.094	30	40	FGEB	
COc1ccccc1[C@@H](C(C#N)C#N)[C@@H]1C(=O)N(c2ccccc2)N=C1C	4828360	ZSFIALJLOUQNOZ-WOJBJXKFSA-N	358.401	3.481	30	40	FGEB	
Cc1nn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)c(=O)c(C#N)c1C	7359755	JJGWBJDFZZQXRB-UHFFFAOYSA-N	360.417	3.022	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)Cn1cnc2ccc(Cl)cc2c1=O	7509598	LMWBTWJDQDFTKD-UHFFFAOYSA-N	373.865	3.326	30	40	FGEB	
CCOC(=O)C1=C(C)N=C(SCC#N)N[C@H]1c1ccccc1OCC	408994347	YRAPZSGEFTZBBX-INIZCTEOSA-N	359.451	3.179	30	40	FGEB	
C=CCN1C(=O)S/C(=C/c2cn(CC(=O)OC)c3ccccc23)C1=O	409096962	FLDVTMLNEYTUAG-OQLLNIDSSA-N	356.403	3.037	30	40	FGEB	
COc1cc(/C=N/N=c2\[nH]c3c(s2)CCc2ccccc2-3)ccc1O	8048454	UHORYSISBHQQMD-RGVLZGJSSA-N	351.431	3.491	30	40	FGEB	
N#Cc1ccc(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1	11160235	GLKXRTJHKZXCFU-UHFFFAOYSA-N	351.358	3.036	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2	19959898	FBSXJLNPHRQVAO-VOJFVSQTSA-N	350.353	3.426	30	40	FGEB	
C#CCOC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	226307050	JYEBCBTYUOZHAI-UHFFFAOYSA-N	359.175	3.458	30	40	FGEB	
O=C1Nc2ccccc2/C1=N/N1CCN(Cc2cccc3ccccc23)CC1	13598828	CPJCXUGSTHIXIL-UHFFFAOYSA-N	370.456	3.314	30	40	FGEB	
Cc1nc(NC(=O)Cc2cc3ccccc3[nH]c2=O)sc1SCC#N	53650741	AMXPZIPYLCXUJS-UHFFFAOYSA-N	370.459	3.090	30	40	FGEB	
N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1Cl	12374539	VMSHKFFOADKXBF-LBPRGKRZSA-N	357.772	3.342	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/NCc2ccccc2Cl)ccc1N1CCOCC1	8811716	SSIQYBOXPDAIEG-UDWIEESQSA-N	374.828	3.209	30	40	FGEB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc(N2CCOCC2)cc1	3207742	JBBKYPBTHRAJQK-PXLXIMEGSA-N	362.433	3.474	30	40	FGEB	
COc1c2c(cc3c1[C@H](C(=O)Nc1ccc(C)cc1)[N+](C)(C)CC3)OCO2	1902268	LYDYGCGQOAATQR-GOSISDBHSA-O	369.441	3.045	30	40	FGEB	biogenic
CCN(Cc1ccc(C#N)cc1F)C(=O)Cn1c(C)nc2ccccc21	44573713	AWHVZUFMLKFCMT-UHFFFAOYSA-N	350.397	3.404	30	40	FGEB	
N=C(N/N=C\c1ccc(Cl)cc1)C(=N)N/N=C\c1ccc(Cl)cc1	104368970	XHFZIWQWSZRZCA-KGIZCEIGSA-N	361.236	3.495	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)C(=O)NCCc3ccccc3)c2C#N)C1	26961042	RGTSJWZVNRNYRA-CYBMUJFWSA-N	367.474	3.042	30	40	FGEB	
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2	2757757	LABMVYDKVYFZRN-IBGZPJMESA-N	369.417	3.336	30	40	FGEB	
COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1	408660491	QDQRYHWQTTXOSQ-UHFFFAOYSA-N	366.402	3.348	30	40	FGEB	
O=S(=O)(/N=C(\O)C1(c2ccccc2)CCC1)c1cccc2nsnc12	48639665	UKANRFSPUVEJQM-UHFFFAOYSA-N	373.459	3.458	30	40	FGEB	
CCc1ccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)cc1	6559120	IQHRGKBYJPTJNJ-UHFFFAOYSA-N	361.496	3.308	30	40	FGEB	
COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)ccc1OCC(=O)O	96988705	KPTXMUQLWVYVJX-JYRVWZFOSA-N	372.348	3.347	30	40	FGEB	
CCn1c(C)cc(C(=O)CN2CCN(c3ccccc3C#N)CC2)c1C	75582083	NTAMVKNSEWANBQ-UHFFFAOYSA-N	350.466	3.001	30	40	FGEB	
Cc1cc(N/N=C/c2cc([N+](=O)[O-])ccc2O)nc(-c2ccccc2O)n1	36136918	ZTMXLMHZYWLWOM-VXLYETTFSA-N	365.349	3.217	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)CO)cc1	225652545	QPBVBOSGUGRZNH-FGTMMUONSA-N	361.850	3.090	30	40	FGEB	
C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H](C(=O)O)C1(C)C	594529192	PKWPRGFDUWKXGF-LEWSCRJBSA-N	363.845	3.146	30	40	FGEB	
COC(=O)c1ccc(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1	1772718393	FCBOZPNRJJQOLK-UHFFFAOYSA-N	368.238	3.351	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccsc2c1=O	8935514	QZQRGKNGZHKFRP-UHFFFAOYSA-N	374.443	3.030	30	40	FGEB	
N#Cc1ccccc1OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1	24506868	TYIAZNUMWFPEOK-UHFFFAOYSA-N	358.319	3.124	30	40	FGEB	
CCOc1cc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)ccc1O	2333858	YNNOPKJFORHSCD-MHWRWJLKSA-N	356.403	3.388	30	40	FGEB	
CCOc1cc(Br)c(Br)c(C#N)c1OC(C)=O	20157678	NDRLTEAEWLWLSQ-UHFFFAOYSA-N	363.005	3.407	30	40	FGEB	
CCOc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2654270	YNNYCCOALSALJE-DEDYPNTBSA-N	370.430	3.257	30	40	FGEB	
CN(C)/C=C(\C(=O)c1ccccc1Cl)c1nnnn1-c1ccccc1	4301045	GWLUSLYHMQBHLE-NTCAYCPXSA-N	353.813	3.101	30	40	FGEB	
C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc(C#N)c1	6509914	ZYFDFQZHTOLFNU-NSHDSACASA-N	351.387	3.352	30	40	FGEB	
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c(OC)c1	15334122	MEMPPRWXFRQTAR-SFHVURJKSA-N	372.446	3.101	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1O	7586470	IQFWIOOMMBDNMK-QHHAFSJGSA-N	357.381	3.273	30	40	FGEB	
COC(=O)COc1ccccc1/C=N/Nc1ccc(C(F)(F)F)cn1	409095412	CJAQDHWLLQGOLA-ODCIPOBUSA-N	353.300	3.098	30	40	FGEB	
C[C@@H]1CS(=O)(=O)CCN1/C(O)=N/Cc1ccc(C2CCCCC2)cc1	330361751	YSYGWHDTBCXDKV-OAHLLOKOSA-N	364.511	3.267	30	40	FGEB	
N#Cc1ccc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)nc1	1776009741	PCKXYXNOMQPBQJ-KBPBESRZSA-N	358.243	3.285	30	40	FGEB	
COc1ccc(C(=O)NCCNc2nc3ccc(C)cc3cc2C#N)cc1	12480931	MYSIBLUCWQTYKC-UHFFFAOYSA-N	360.417	3.265	30	40	FGEB	
Cc1c(-c2ccccc2)ccnc1/C=N\NS(=O)(=O)c1ccccc1	17061932	FYKIGNVDAGMYTO-STZFKDTASA-N	351.431	3.369	30	40	FGEB	
CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cn1	206060095	INIAYBYKSNDUJI-UHFFFAOYSA-N	354.643	3.381	30	40	FGEB	
C=CCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cnn(CC)c3)nc21	20615596	KJTPZWVTOZNYBQ-UHFFFAOYSA-N	363.393	3.461	30	40	FGEB	
CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1F	662508	ZZGBBAUPXGBVNW-OAHLLOKOSA-N	363.360	3.208	30	40	FGEB	
COC(=O)COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2	892414	ACUIDTBWUWDOFL-UHFFFAOYSA-N	352.390	3.023	30	40	FGEB	
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O	4908760	HNRVMRIRNAGTFB-DJPFJPOOSA-N	370.449	3.023	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1OC	6407181	OSDFWBPEUJAFPC-GOSISDBHSA-N	367.401	3.220	30	40	FGEB	
N#Cc1cc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)ccc1F	108526304	PPDQMGDAOPKBBC-UHFFFAOYSA-N	351.429	3.344	30	40	FGEB	
Cn1c([C@@H](C#N)C(=O)c2cncc(Br)c2)nc2ccccc21	12603758	CFJVPXXIJPLZSE-LBPRGKRZSA-N	355.195	3.221	30	40	FGEB	
C[C@]12OC(=N)[C@@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1	102675378	RHQCNXVWUHSVNE-YNVMFWSZSA-N	358.357	3.402	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)NCc1cccnc1-n1ccnc1C	58209391	BDLDRVFCLVMCNJ-UHFFFAOYSA-N	373.460	3.229	30	40	FGEB	
CCCNC(=O)c1c(/N=C/c2c(F)c(F)c(F)c(F)c2F)cnn1C	2797830	OPZCNSPHMHMDIU-RREIPUBJSA-N	360.286	3.006	30	40	FGEB	
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2)S1)c1cccs1	4676294	SWLAUPCFNKYBQA-XLTHYULKSA-N	372.475	3.089	30	40	FGEB	
C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12	6625461	GBWKOHFFHFEALN-BTYIYWSLSA-N	373.456	3.414	30	40	FGEB	
Cc1c(CCO)sc[n+]1CC(=O)OCCC12CC3CC(CC(C3)C1)C2	5603480	XQSZWVWBICKMOJ-UHFFFAOYSA-N	364.531	3.029	30	40	FGEB	
N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(F)cc3)CC2)cc1	8746127	BZKDIMLHLSMKQL-UHFFFAOYSA-N	352.413	3.437	30	40	FGEB	
CSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](C)CC1=O)N2	22608348	VMHGWOCXOVNUIS-BJOHPYRUSA-N	371.422	3.176	30	40	FGEB	
C=CCNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4	409001938	YCSYHEIUJOFYFB-UHFFFAOYSA-N	352.419	3.027	30	40	FGEB	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc(OCCOC)cc2)cs1	44027662	BMBYEISZYOEQQK-JXMROGBWSA-N	374.462	3.437	30	40	FGEB	
C[C@@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)C1	225858747	KIBQAUXPOSDKMH-CQSZACIVSA-N	370.884	3.445	30	40	FGEB	
COCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1C#N	44835493	MOQGNBONBGZUEY-UFWORHAWSA-N	359.773	3.416	30	40	FGEB	
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN1C1CCCCC1	579310856	STOFBJFCBZJWPN-FQEVSTJZSA-N	354.498	3.497	30	40	FGEB	
Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1	4904928	YFALRGJNLWMFKK-UHFFFAOYSA-N	367.408	3.381	30	40	FGEB	
CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CCOCC1	31120777	IEZSCZZDGGSWJN-JXFKEZNVSA-N	372.513	3.055	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@@H](CC(C)C)C1=O	23642186	KWYQWWWWORBKCS-ZDUSSCGKSA-N	355.891	3.314	30	40	FGEB	
COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nccs2)cc1	4516901	VIHXUWMDZIPVJU-UHFFFAOYSA-N	353.407	3.181	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)n(C2CCCC2)c1C	23995788	PGLJUWRTWMHNSU-KBPBESRZSA-N	358.486	3.139	30	40	FGEB	
C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21	1320651	MAKPAENYOJZTBH-NRFANRHFSA-N	351.402	3.079	30	40	FGEB	
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c(OC)c1	12947032	FLLQXWPPSGXMIY-SFHVURJKSA-N	372.446	3.101	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@@H]2N[C@@H](C(=O)O)CS2)c2ccccc21	408811914	MBIBZALOMNNSFP-IEBWSBKVSA-N	363.442	3.349	30	40	FGEB	
COc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cn1	409106835	OSLAVSIBKHDIJC-UUASQNMZSA-N	352.144	3.217	30	40	FGEB	
CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCC(=O)N(C)C	5128158	RZEDGXFUUJPHNQ-VZUCSPMQSA-N	369.417	3.154	30	40	FGEB	
O=C1/C(=C/c2cccc(F)c2)Oc2cc(OC(=O)N3CCOCC3)ccc21	5215747	NXIZCGDURIVTAD-WQRHYEAKSA-N	369.348	3.273	30	40	FGEB	
CCOc1cccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1OC	5335879	QOVAGMGSRPBLJQ-VQHVLOKHSA-N	353.374	3.321	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1	4667459	HPILVPHVPKUJFW-XBXARRHUSA-N	361.191	3.420	30	40	FGEB	aggregator
Cn1cccc1[C@@H]1CCCCCN1S(=O)(=O)Cc1ccccc1C#N	8771178	PQWYBMMZHMYJIA-IBGZPJMESA-N	357.479	3.344	30	40	FGEB	
CCN1C(=O)/C(=C\c2ccco2)S/C1=N\S(=O)(=O)c1cccs1	9667244	ZTWVFDVLFZHIJM-VDRCGHCRSA-N	368.461	3.022	30	40	FGEB	
N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	218636511	BBVPMVVRZBBECS-YESZJQIVSA-N	363.797	3.128	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252515476	KHUFKDXTQUJARO-NLWGTHIKSA-N	369.442	3.008	30	40	FGEB	
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1Br	5024092	WBSFXZTVKOZXJL-NFOPDKNASA-N	373.250	3.289	30	40	FGEB	
CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/N=C/c2ccc(O)cc2)s1	5726500	JEBUQXQBFIVOLR-HCDAPJTOSA-N	372.837	3.430	30	40	FGEB	
C=CCn1c(N2CCC(C(=O)Nc3cccnc3)CC2)nc2ccccc21	12219403	PFKNOJIPCOJTME-UHFFFAOYSA-N	361.449	3.472	30	40	FGEB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(N)=S)o1	6328061	AGSPXWZVTPFPLU-UFWORHAWSA-N	365.842	3.332	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1	102543846	SKMCPJDDJHRULB-SELCWUDQSA-N	351.402	3.063	30	40	FGEB	
Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1	102873298	WZDUHFKPCZLKFH-SELCWUDQSA-N	371.396	3.411	30	40	FGEB	
C=CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1	23178211	MTPFZELKYYSWFN-UHFFFAOYSA-N	358.482	3.016	30	40	FGEB	
Cc1nc2c(cc(OC/C(O)=N/S(C)(=O)=O)c3ccsc32)s1	48480943	DQCYBFVPUONUIX-UHFFFAOYSA-N	356.450	3.114	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1	81646368	NROJPDOIGUAOSA-SFHVURJKSA-N	359.429	3.315	30	40	FGEB	
N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1	409162668	YJYJMDHZCMXLPK-FSRGZAIWSA-N	371.396	3.349	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1	89364836	WRYNPDCYJSBHKN-QGZVFWFLSA-N	358.344	3.373	30	40	FGEB	
CN(CCC#N)C(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1	75572115	XXXREQAQASMPQP-UHFFFAOYSA-N	354.376	3.090	30	40	FGEB	
C#CCOc1c(CC=C)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OCC	409250176	MNBYYFPKDBWTPL-GHRIWEEISA-N	368.433	3.129	30	40	FGEB	
C=CCN(c1cccc(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225084128	QFCFGWMLQZHSDC-UHFFFAOYSA-N	350.371	3.424	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	239203218	RYZNRFOSCDAQJF-KPARWEMLSA-N	372.424	3.235	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCC[C@H]2C)cc(C(F)(F)F)n1	260710295	GNWVVYUHVLFGAU-SNVBAGLBSA-N	359.421	3.347	30	40	FGEB	
Cc1c(Br)cc(C#N)c(=O)n1CC(=O)C(C)(C)c1ccccc1	629174581	UQKJYHLUIAJAKD-UHFFFAOYSA-N	373.250	3.338	30	40	FGEB	
CC1(C(=O)NCC2CSC2)CCN(c2ccc(Cl)cc2C#N)CC1	597745602	ICJKTQVNEDIJHU-UHFFFAOYSA-N	363.914	3.297	30	40	FGEB	
CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(Cl)cc2)nc1N	1041235	PMPUFPPYYLXEII-BQYQJAHWSA-N	363.826	3.378	30	40	FGEB	
O=C(C[n+]1ccccc1Br)c1cccc(Br)c1	5771155	QPHWBGORIRYKLJ-UHFFFAOYSA-N	356.037	3.382	30	40	FGEB	
COc1cccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1	14608167	JTOZMTOMMYRAJF-ORAYPTAESA-N	362.389	3.295	30	40	FGEB	
N#Cc1ccc(CN2CCC(C(=O)N3CCC(F)(F)CC3)CC2)c(F)c1	1889122724	QKFYTRHDXPKIOU-UHFFFAOYSA-N	365.399	3.167	30	40	FGEB	
N#CC1(C(=O)N2CCC3(CC2)CN(Cc2cccs2)CCO3)CCCC1	1565554898	JPEDKMDLDBSSBA-UHFFFAOYSA-N	373.522	3.025	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(C)cc3C)c2C#N)C1	5268075	VOXRZYOTJBTQCC-UHFFFAOYSA-N	367.474	3.322	30	40	FGEB	
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccccc1Cl	7266045	KGBSVJCJFHJDTH-CYBMUJFWSA-N	370.840	3.109	30	40	FGEB	
N#C[C@@H](C(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	107335054	KHXXHIAKMMJUER-IMIFBBOLSA-N	367.474	3.476	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1	6009079	AZEJTMSHZYNLRR-CQSZACIVSA-N	369.446	3.065	30	40	FGEB	
COc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc(Cl)c1OC	5429949	MQEGOPPILLMVFC-UHFFFAOYSA-N	374.780	3.024	30	40	FGEB	
COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc([N+](=O)[O-])c1O	96988704	UFJVENZPQDESMK-WDZFZDKYSA-N	359.309	3.497	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2cc(F)ccc2F)CC1	84344024	XBKZFOGHGRCGCN-UHFFFAOYSA-N	372.331	3.239	30	40	FGEB	
Cc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccc(C#N)cc1	97376406	RVAAPCMYESKJIS-UHFFFAOYSA-N	351.771	3.229	30	40	FGEB	
CC[C@H](C)n1ncc(N/C(O)=N/[C@H]2CCCN(c3ccc(C)nn3)C2)c1C	330144455	ZOKJAXROXKHHDB-HOCLYGCPSA-N	371.489	3.256	30	40	FGEB	
COc1cc(/C=N/c2sc(C)c(C)c2C(N)=O)c([N+](=O)[O-])cc1OC	671934	LPDRYWYWQKZDCA-CNHKJKLMSA-N	363.395	3.140	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1OC	12347813	VXVSKGNRLRGRPG-HNNXBMFYSA-N	369.421	3.333	30	40	FGEB	
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C#N)CCCCCC2	79124014	ULSQQOOJSDZBEA-OCCSQVGLSA-N	359.495	3.380	30	40	FGEB	
COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)ccc1O	8690376	STMOTPQPVIMOQV-KRWDZBQOSA-N	354.431	3.077	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ccc(C#N)cn2)cc1	48333286	MTWLFYKFVIUJBS-CQSZACIVSA-N	358.467	3.157	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	38167684	BMTMKVPZHZNATM-VCHYOVAHSA-N	357.326	3.298	30	40	FGEB	
C=C(Cl)COC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O	22988660	BQBANSXIHRSBJS-UHFFFAOYSA-N	359.596	3.449	30	40	FGEB	
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(F)ccc1C#N	95413122	RDBLGFZJIGLTQA-UHFFFAOYSA-N	368.412	3.116	30	40	FGEB	
C=CCc1ccc(OCC(=O)N[C@@H]2CCOc3ccccc32)c(OC)c1	39975955	RKDYXFKZVBWLQP-QGZVFWFLSA-N	353.418	3.443	30	40	FGEB	
C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1	21838325	MNRDIRYXTLGSLW-IYBDPMFKSA-N	358.438	3.315	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C	33735171	IFVHQZZMGUPUAW-WSDLNYQXSA-N	351.479	3.460	30	40	FGEB	
COc1cc(N2CCOCC2)ccc1/C=N/c1cccc(C(=O)O)c1C	409241626	KQPHZFMRFKOFEQ-FYJGNVAPSA-N	354.406	3.289	30	40	FGEB	
CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cc(OC)ccc1OC	408582415	NZOKJIIEEDVQBA-UHFFFAOYSA-N	356.378	3.235	30	40	FGEB	
O=C1CCCC2=C1C(c1ccc(O)c([N+](=O)[O-])c1)C1=C(CCCC1=O)O2	409034514	OBIYPRQJXMFQBM-UHFFFAOYSA-N	355.346	3.428	30	40	FGEB	
N#CC1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	218437031	WJMHEDCEAQYCFT-HZPDHXFCSA-N	360.797	3.452	30	40	FGEB	
N#Cc1ccc(N(Cc2cccnc2C#N)Cc2cccnc2C#N)cc1	84847057	FPDANHUWWTXQDQ-UHFFFAOYSA-N	350.385	3.298	30	40	FGEB	
Cn1cnc(CN2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)c1	585294655	TUTSIROYIQIXJO-UHFFFAOYSA-N	373.464	3.205	30	40	FGEB	
Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2N)c(C)c1	5320992	BHSAQXLEOAPFDY-UHFFFAOYSA-N	365.462	3.352	30	40	FGEB	
C#CCOc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)ccc1OC	40284269	HYYULSAJQPPSNW-INIZCTEOSA-N	374.400	3.412	30	40	FGEB	
O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1	102802337	ILOCMCDTNSLWQE-ISYIFQNYSA-N	363.413	3.287	30	40	FGEB	
CCN(CCOc1ccccc1C#N)Cc1ccc(C(=O)N(C)C)cc1	102932242	RGPXERKHVRVAMM-UHFFFAOYSA-N	351.450	3.161	30	40	FGEB	
Cc1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1C1CC1	23717930	XFBNGKRMABFBJR-UHFFFAOYSA-N	362.477	3.270	30	40	FGEB	
COc1cc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)ccc1O	2314444	KKAYDRYHGAUXQT-ODCIPOBUSA-N	368.780	3.128	30	40	FGEB	
C/C(=N\OCC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2	7007481	VFPMAYXKGUGDRX-OEAKJJBVSA-N	366.417	3.326	30	40	FGEB	
Cc1cc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)ccc1F	409253008	UPRMPTRLZZXNBC-LPYMAVHISA-N	356.397	3.122	30	40	FGEB	
COc1cccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c1OC	20610608	BOMKNWDYRHQZMF-YVLHZVERSA-N	355.390	3.087	30	40	FGEB	biogenic
COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)c(C)c1	409013668	CIUYCLYGLVFBRV-SRRANQMSSA-N	371.389	3.393	30	40	FGEB	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1C	7236593	KBOAAMDBMAPUIQ-ZDUSSCGKSA-N	373.482	3.207	30	40	FGEB	
COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1	5787859	AYZMQOAYTJQBSC-KRWDZBQOSA-N	366.442	3.149	30	40	FGEB	
Cc1c(/N=C\[C@H]2CCCN3CCCC[C@@H]23)c(=O)n(-c2ccccc2)n1C	17610816	SEXYFKGWMWZYHK-JFRVVRINSA-N	352.482	3.451	30	40	FGEB	
CCOc1ccc2oc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(C)c2c1	3535519	XIIKYJSNLGWNIK-FQEVSTJZSA-N	372.421	3.351	30	40	FGEB	
CSc1nnc(CCCNc2nnc(C)c(C)c2C#N)n1C1CCCC1	53557173	RKFDVKMWBKYWNM-UHFFFAOYSA-N	371.514	3.438	30	40	FGEB	
COc1ccc(N/N=C2\C(=N)NN=C2c2ccc(Br)cc2)cc1	5988135	JUZZXICKUQPDSV-UHFFFAOYSA-N	372.226	3.210	30	40	FGEB	
Cc1cc(C)c(C(=O)/C=C(\NCc2ccccc2)C(F)(F)F)c(=O)[nH]1	8695038	QKVHBGKSEDMIGI-DHDCSXOGSA-N	350.340	3.410	30	40	FGEB	
CCCCc1nc(NCCNC(=O)C(C)C)c(C#N)c2c1COC(C)(C)C2	95474121	JJRCGPWKSLYMCF-UHFFFAOYSA-N	372.513	3.331	30	40	FGEB	
Cc1ccc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c(C)c1	256048033	QGCDLRKTIFYVSC-UHFFFAOYSA-N	372.476	3.078	30	40	FGEB	
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2cc(F)cc(F)c2)cc1	5795038	MYYGPUJOYIUSSQ-GZTJUZNOSA-N	369.375	3.034	30	40	FGEB	
Cc1cc(/C=N\NC(N)=S)c(C)n1-c1sc2c(c1C#N)CCCC2	15224868	MBBVWOIQMWSAHG-UKWGHVSLSA-N	357.508	3.073	30	40	FGEB	
C=CCn1ncc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)c1C	19554421	WBHOPMBYZZEXHQ-FXAWDEMLSA-N	364.497	3.030	30	40	FGEB	
Cc1nnc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]c1=O	3947280	VYDYNUHQXXRZGE-KEBDBYFISA-N	357.458	3.220	30	40	FGEB	
C=CC[C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)C1	597999641	VKECVWKOFLJRCG-LLVKDONJSA-N	371.218	3.425	30	40	FGEB	
COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)c(OC)c1	850690	YNENIBSQQRUPFN-UHFFFAOYSA-N	369.384	3.497	30	40	FGEB	
CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O	29128406	PRAUQXGSSFLOAP-ROUUACIJSA-N	357.475	3.420	30	40	FGEB	
C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	19087713	UQUQHSXKMGDOOT-KRWDZBQOSA-N	364.357	3.359	30	40	FGEB	
Cc1ccc(SCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1	22138976	GYALLCREGFOYTP-HNNXBMFYSA-N	360.479	3.362	30	40	FGEB	
C=CCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)C[C@@H](c1ccco1)C2	9936440	ADLUGYKIBMUSME-AWEZNQCLSA-N	363.421	3.383	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)/C=C/c1cccc2cccnc12	58356351	WBIRYVVGGSYIDK-MDZDMXLPSA-N	360.392	3.487	30	40	FGEB	
COc1nccnc1NS(=O)(=O)c1ccc(/N=C/c2ccccc2)cc1	101670689	FSODFWCZBFBTES-FYJGNVAPSA-N	368.418	3.037	30	40	FGEB	
O=C1/C(=C/c2ccncc2)Oc2c1ccc1c2CN(C[C@@H]2CCCO2)CO1	13726970	ZJISVNMLJORHFX-HNIBHBHRSA-N	364.401	3.029	30	40	FGEB	
CC1CCC(=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	7780622	AJOHSFVWEGRYKC-UHFFFAOYSA-N	350.488	3.234	30	40	FGEB	
CC(=O)c1cccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2ccc(C)s2)c1	68901049	USHHEHWOICCCAJ-LBPRGKRZSA-N	367.448	3.372	30	40	FGEB	
O=C(O)c1ccccc1-c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)o1	408750867	SRAMIPPTKFHHJK-GRSHGNNSSA-N	352.306	3.394	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	218056357	WOPVTRZZWMQKRO-OKZBNKHCSA-N	361.850	3.436	30	40	FGEB	
COc1ccc(-c2csc(C3=C(N)N(CCC(C)C)CC3=O)n2)cc1	96318475	IUHGUZRWMCBWAZ-UHFFFAOYSA-N	357.479	3.377	30	40	FGEB	
CC1=CC(=O)/C(=C/NC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1	17223577	HVBDOSGURLLIDF-TWGQIWQCSA-N	357.218	3.193	30	40	FGEB	
CSc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1	4517646	MPJPVOFOBUGJGM-UHFFFAOYSA-N	371.487	3.499	30	40	FGEB	
Cc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1	12418511	SIIBQNUDRJGIFG-UHFFFAOYSA-N	362.389	3.077	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1Cl	4944599	GAPXYBVTFCDIIU-LLVKDONJSA-N	361.854	3.186	30	40	FGEB	
C=C(C)CN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C	24719264	PPKYFQZMCJEGMM-UHFFFAOYSA-N	365.524	3.129	30	40	FGEB	
C[C@](C#N)(NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	3349893	VIDJMLUPXRWXAY-MRXNPFEDSA-N	362.842	3.291	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)cc1	10886658	FXYQLBLNNJSODV-JLHYYAGUSA-N	365.429	3.167	30	40	FGEB	
C=CCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccs3)nc21	36617261	FWGGSHUMAUWKBT-UHFFFAOYSA-N	359.432	3.155	30	40	FGEB	
COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(F)cc3)c(C)nc12	2424195	OCDCGSRWMZEBLW-UFFVCSGVSA-N	350.353	3.216	30	40	FGEB	
COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nn(CCC#N)c1C	36723785	GNOGMUYVGWSUBA-UHFFFAOYSA-N	366.465	3.334	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1	3450373	FPGICJAHZHLELK-ZHACJKMWSA-N	352.415	3.497	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl	49545280	CMBNSIKGVCOGTM-MRXNPFEDSA-N	357.797	3.345	30	40	FGEB	
O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N=C\c1ccc2c(c1)OCO2	6077675	YSZWVWZYWCJYMW-KPSZGOFPSA-N	362.172	3.497	30	40	FGEB	
COc1ccc(/C=C/c2nc(C#N)c(NC[C@H]3CCCO3)o2)cc1OC	8493412	IGPAIJWQLPRAEL-IZPAUZPXSA-N	355.394	3.325	30	40	FGEB	
COc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1	8816149	MXNQNAGWVNDJDJ-CYBMUJFWSA-N	369.808	3.212	30	40	FGEB	
Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1C1CCCC1	409410165	ZTIAPWCUGVUQHC-STEAMIEHSA-N	351.450	3.361	30	40	FGEB	
CC1=C(C(=O)OCCC#N)[C@@H](c2cccnc2)C2=C(N1)c1ccccc1C2=O	33691818	PKGMTTMCEJLAGV-GOSISDBHSA-N	371.396	3.107	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)C=CC(=O)[C@]3(C)[C@@H]1C2	36375455	AXKTZQUAUIMSFK-NMELDMTDSA-N	360.450	3.067	30	40	FGEB	biogenic,in-vitro
O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccc2[nH]cnc2c1	90610452	ONUICAAZMGIEHE-UHFFFAOYSA-N	373.334	3.394	30	40	FGEB	
CC#CC[C@H](C)[C@H](O)/C=C/[C]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)O)C[C@H]12	1560411632	WMNZZUBKDHBDBR-KCJNKABWSA-N	359.486	3.500	30	40	FGEB	
CC1=CC(=O)[C@@]2(C)[C@H](CC=C3[C@H]2CC[C@@H]2CC(=O)CC[C@]32C)S1(=O)=O	4690291	HIZIVFAFGQVLQJ-XKBGQOJESA-N	362.491	3.378	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccn2)cs1	12523559	IAVVNZLEDHGOHR-GFCCVEGCSA-N	350.403	3.483	30	40	FGEB	
CCOC(=O)CCCNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1	95468067	BCRIIWXZLLYXDD-UHFFFAOYSA-N	374.384	3.129	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1	72277872	YTJCXMBVNJBFHK-SFHVURJKSA-N	371.481	3.149	30	40	FGEB	
Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)/C=C/c2ccccc2C)n1	6670179	RRKPUBPRGQWTKJ-CMDGGOBGSA-N	358.405	3.111	30	40	FGEB	
CC[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1	9544514	YLPLVOHIOKMTKZ-INIZCTEOSA-N	351.450	3.106	30	40	FGEB	
Cc1cc(NCCN/C=C2\C(=O)Oc3ccccc3C2=O)nc2ccccc12	1547200937	OZLQENIVJLSBAJ-LGMDPLHJSA-N	373.412	3.231	30	40	FGEB	
C=CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1	222914955	MXZCNBSTRIACAC-INIZCTEOSA-N	354.425	3.088	30	40	FGEB	
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1cccc(OC)c1)C2	96229956	RPQYIDQBEWMYRG-HXUWFJFHSA-N	357.454	3.260	30	40	FGEB	
Cc1c(N/C=C(\Cl)C(=O)C(F)(F)F)c(=O)n(-c2ccccc2)n1C	103346445	BRIYCKBIAZXROU-FLIBITNWSA-N	359.735	3.108	30	40	FGEB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(C#N)cc1	103420226	SDHDZZCRAJTBFT-TZIWHRDSSA-N	361.445	3.080	30	40	FGEB	
C=CCN(CC=C)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)C(C)C	23078381	GUNMFLIYACCRDW-CYBMUJFWSA-N	368.407	3.254	30	40	FGEB	
C=CCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1cccc2ccccc12	986625	ZADIRQHJOZNTLD-WXVFVKJXSA-N	367.474	3.484	30	40	FGEB	
CC(=O)C1=C(c2ccc3c(c2)CCCC3)N(C(C)=O)n2c(C)nnc2S1	4518245	GXDSWQMIISCKNU-UHFFFAOYSA-N	368.462	3.013	30	40	FGEB	
Cc1ccc(C)c(Sc2ncccc2C(=O)OCC(=O)NCCC#N)c1	24775756	WXDVAUPNZWFFEA-UHFFFAOYSA-N	369.446	3.036	30	40	FGEB	
COc1ccc(N2CCN(c3oc(Cc4ccccc4)nc3C#N)CC2)cc1	2210423	PXIVYMIYNRGXDA-UHFFFAOYSA-N	374.444	3.472	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)nnc1C1CC1	103064378	XBUFTGNYLLIPRO-XOUADPBQSA-N	360.527	3.375	30	40	FGEB	
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cccc([N+](=O)[O-])c1	10002750	AWGOPFIVXYGOMD-WTAXECHQSA-N	356.334	3.336	30	40	FGEB	
O=S(=O)(N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1	2736461	LRRQMOCHESBCFX-CXUHLZMHSA-N	373.659	3.415	30	40	FGEB	
Cc1ccccc1[C@H](C)NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C	13063196	LJUONUQGTLJJJQ-VAODSVERSA-N	374.506	3.204	30	40	FGEB	
CCCc1cc(O)n2nc(/N=C(\O)COc3ccc(Cl)cc3)nc2n1	9046013	WGCGMRMJDGXWND-UHFFFAOYSA-N	361.789	3.103	30	40	FGEB	
CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	5025398	BUBNWQTYHRMCGT-CQSZACIVSA-N	352.818	3.160	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3C)C(=O)NC2=S)cc1	408761541	FSQNUTXETPVSQN-PZUDMAOCSA-N	351.431	3.070	30	40	FGEB	
CC[C@H](C)c1ccc(S(=O)(=O)N/N=C(\C)c2c(O)cccc2O)cc1	17074593	AXGIKPGMHPYQNP-NHLWYUBBSA-N	362.451	3.314	30	40	FGEB	
CCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C	8426355	PAJXBSFZHGOEDK-UHFFFAOYSA-N	352.504	3.286	30	40	FGEB	
CC(C)Oc1ccc(Cl)cc1C=Nn1c(O)nc2ccccc2c1=O	409356577	IBXJAUVMJMQSTR-UHFFFAOYSA-N	357.797	3.425	30	40	FGEB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1/N=C/c1ccc[nH]1	409086325	ZCGNANLCEDZFAV-LOTMACBYSA-N	367.408	3.241	30	40	FGEB	
COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	32131508	SXICYXMRGFUXOA-OKTMORDVSA-N	370.361	3.264	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1	38855796	UYXLWKKDYPUBDY-UHFFFAOYSA-N	360.417	3.100	30	40	FGEB	
COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@H]2C=O)cc1	252514242	BKBNHTNUGHKWSB-GVDBMIGSSA-N	350.823	3.103	30	40	FGEB	
C=CCCCC(=O)N[C@]12CCC[C@H]1N(c1ncnc3scnc13)CC2	1775991366	LBDWJOCCOURKAC-ACJLOTCBSA-N	357.483	3.060	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)OC1(C)C	1776007456	DNADKSPZFNJONU-FQEVSTJZSA-N	356.275	3.251	30	40	FGEB	
C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1	205709590	JNHVGUBXSWPEBE-XNTDXEJSSA-N	361.419	3.239	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	3165669	FJGRUQUCQGWAHF-SRZZPIQSSA-N	369.446	3.496	30	40	FGEB	
CCCCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OC	103085723	XODDYOBWNVUXAI-ZLQZBKBYSA-N	358.390	3.102	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1)c1ccco1	794986	YZOZYNJBZKFQDH-RHSMWYFYSA-N	353.374	3.037	30	40	FGEB	
CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1	3269124	XQTSQCRIMVEYFT-UHFFFAOYSA-N	350.374	3.141	30	40	FGEB	
C=CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1	1826951	VZFCTIGOORMOIB-KAMYIIQDSA-N	363.460	3.317	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(N3CCCC3)cc2C)cc1	4106776	LZEFQZSBKRORTF-XSFVSMFZSA-N	357.479	3.216	30	40	FGEB	
C=C(C)Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3	13690779	RGUAVZVSPDSBLG-UHFFFAOYSA-N	363.446	3.233	30	40	FGEB	
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(Cl)s1	4242693	VVBIDGDUAKMOCZ-UHFFFAOYSA-N	370.839	3.451	30	40	FGEB	
COC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccc(OC)cc2)C1=O	5243235	NTVKQDGQCFUEKB-JVMRMLDLSA-N	370.430	3.394	30	40	FGEB	
COc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O	4453145	DSIAVEPNXLRBPZ-SFHVURJKSA-N	353.374	3.198	30	40	FGEB	
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1	14084543	BCXSVFDWHPSWLR-JKSUJKDBSA-N	374.448	3.159	30	40	FGEB	
C=CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1	5847676	XQWNKGPHUHCVGM-AWEZNQCLSA-N	366.446	3.008	30	40	FGEB	
CCOC(=O)/C(=N\Nc1ncnc2ccccc12)c1ccc(OC)cc1	9960958	XQDSYNMIJYDVKM-XLNRJJMWSA-N	350.378	3.018	30	40	FGEB	
CC(=O)c1cccc(NC(=O)[C@H](C)O/N=C2/CCOc3ccccc32)c1	95949203	AXOHKSYILVOXMK-RJHYDAJSSA-N	352.390	3.420	30	40	FGEB	
N#Cc1nc(/C=C/c2ccco2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	138144219	ZCHLJLBIPFVJIH-MFHOCJEASA-N	374.400	3.095	30	40	FGEB	
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)O)[C@@H]1c1cccc(F)c1	5336947	SVPDJKRQYKLPDS-FHWLQOOXSA-N	359.360	3.312	30	40	FGEB	
N#Cc1cccc(N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)n1	1889109980	IJCKFQKWVURKEG-SWLSCSKDSA-N	359.355	3.082	30	40	FGEB	
CCCCCCCCN/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	1874238	WTNARDLSNRJUIT-SSZFMOIBSA-N	361.417	3.243	30	40	FGEB	
CC1=CC(=O)/C(=C/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1	102954875	NBWZNCYAORGNBO-GHXNOFRVSA-N	357.347	3.044	30	40	FGEB	
N#Cc1nc(COc2ccc(Cl)cc2)oc1NCCCn1ccnc1	2207463	FUMVPYYATYNNRR-UHFFFAOYSA-N	357.801	3.477	30	40	FGEB	
CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	84622116	XNDCGIIIJNZVFO-GFCCVEGCSA-N	368.524	3.429	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccccc2Cl)nc1	6786464	TUJSFXTVGRBZDW-YBFXNURJSA-N	366.874	3.212	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)o1	408796311	OSYVSBRDNLAKHD-MRXNPFEDSA-N	351.358	3.030	30	40	FGEB	
COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1	409280394	JDDJIHKDVPEMBX-UHFFFAOYSA-N	372.222	3.358	30	40	FGEB	
Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1Cc1ccccc1	409352055	YHEHTWYQCIOMHR-UHFFFAOYSA-N	372.428	3.451	30	40	FGEB	
COc1ccc2occ([C@@H]3CC(=O)OC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1	524729335	OSEKQKHYQJBQGU-LBPRGKRZSA-N	368.385	3.475	30	40	FGEB	biogenic
C(/C=C/c1ccccc1)=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1	408733628	NADPAQRYPXXCDJ-AWPKRLTISA-N	363.469	3.183	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1	408709247	QQUFXBOXHQJNPT-UHFFFAOYSA-N	363.417	3.030	30	40	FGEB	
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@H]21	33348506	MXGIYHZVIKLRKE-SYYKKAFVSA-N	355.478	3.420	30	40	FGEB	
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(NC(C)=O)cc1	224890655	JPHJLKGUDKXSOE-UHFFFAOYSA-N	374.462	3.425	30	40	FGEB	
Cc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2nccs2)N(C)C1=O	13151742	BDIRJRPBUDVNTP-NWLJZCLZSA-N	360.464	3.042	30	40	FGEB	
O/C(Cc1cc(Cl)c2c(c1)OCCO2)=N\c1nc(-c2ccccn2)n[nH]1	53525738	JIJWXFDMRJEVDV-UHFFFAOYSA-N	371.784	3.122	30	40	FGEB	
C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)CC(=O)N2	4944296	JXSPUXPRCNLMAF-OAHLLOKOSA-N	361.426	3.123	30	40	FGEB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc2ccccc2n1CC	408692887	XPUFAHSVWPRUMY-DEDYPNTBSA-N	363.377	3.422	30	40	FGEB	
N#CC1(C(=O)N2CCO[C@H](c3noc(-c4ccccc4)n3)C2)CCCCC1	96000869	APIFTZLFHOSCAD-INIZCTEOSA-N	366.421	3.111	30	40	FGEB	
CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1	5393316	DYXOGUNSKOZXSA-CPNJWEJPSA-N	365.886	3.499	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N2c3ccccc3CC[C@@H]2C)cs1	9953094	BCPLDLPMPFJWKQ-ZDUSSCGKSA-N	371.462	3.266	30	40	FGEB	
Cc1ccc(/C=N/Nc2nnnn2-c2cccc3ccccc23)cc1[N+](=O)[O-]	4188411	DPDJVHHMDXDPAE-UDWIEESQSA-N	373.376	3.478	30	40	FGEB	
COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1	6054431	HGABJFAWZVFUKL-ZHZWZMEUSA-N	350.374	3.150	30	40	FGEB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O	13564671	UJDXNMHLQACVKA-GASCZTMLSA-N	367.424	3.316	30	40	FGEB	
S=C(NCCc1ccccc1)N/N=C/c1c(Cl)nc2ccccn12	40161316	NPOYDYWPADWWGH-UDWIEESQSA-N	357.870	3.028	30	40	FGEB	
Cc1cc(C)c2nc(SCC(=O)Nc3nonc3C)c(C#N)cc2c1	1354217	BPMYNUNMAFLYBZ-UHFFFAOYSA-N	353.407	3.146	30	40	FGEB	
CC[C@]1(C(=O)N=C(Nc2ccccc2)Nc2ccccc2)CCOC1=O	1752250	JWGFSVXRBPUQLO-HXUWFJFHSA-N	351.406	3.437	30	40	FGEB	
COc1cc(/C=N/n2cn[nH]c2=S)ccc1OCCc1ccccc1	5483407	GASNOXNENRWNEO-UDWIEESQSA-N	354.435	3.453	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3ccccc3cc2O)n1	7778392	UCIIBLHRQSDPLE-HNNXBMFYSA-N	366.398	3.344	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)s1	16956781	SCIXDHHPEGUELR-UHFFFAOYSA-N	359.432	3.483	30	40	FGEB	
Cc1ccccc1NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1	39935294	GRMXKQZDMHTMQB-UHFFFAOYSA-N	362.477	3.013	30	40	FGEB	
COc1ccc(Cl)cc1C(=O)NCC#CCN1CCc2ccccc2C1	75165004	SZRROISTHHELJY-UHFFFAOYSA-N	368.864	3.140	30	40	FGEB	
O=C(C[C@H]1S/C(=N/c2ccc(Cl)cc2)NC1=O)NCc1ccccc1	21133542	AEVRMUHYQDBOKJ-OAHLLOKOSA-N	373.865	3.266	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)NCc1cncc(-c2cccs2)c1	225669081	IOEGNOZMBKFHGH-UHFFFAOYSA-N	355.444	3.160	30	40	FGEB	
C[C@]12CCC(=O)C=C1C=C[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1	253629646	RJTDWMKVQUPGSY-VIHOIMEUSA-N	356.462	3.341	30	40	FGEB	
COc1ccc(-c2ccc(C#N)c(SCC(=O)NCC(C)C)n2)cc1	1554503137	HPTADYQBFDHQLN-UHFFFAOYSA-N	355.463	3.493	30	40	FGEB	
CCN(CC)c1ccc(/C=N\c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-]	18036617	UFAUCORSNRNQDJ-ODLFYWEKSA-N	353.382	3.361	30	40	FGEB	
O=C1SC(N2CCN(Cc3ccccc3)CC2)=N/C1=C/c1ccccc1	22134201	DCHSWVRTAGEZBK-XDJHFCHBSA-N	363.486	3.475	30	40	FGEB	
C/C(NCCN/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C	100748212	RDFNRVHPWNOKND-ZXNPFEPCSA-N	356.510	3.204	30	40	FGEB	biogenic
CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2	6951676	CYQIAVSGUBJDBU-UHFFFAOYSA-O	362.453	3.426	30	40	FGEB	
CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC	7883610	FXKHUBQDEBXPJX-WMQDPJMESA-N	353.875	3.317	30	40	FGEB	
N#Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1	12731977	CREZSCFJXUARQM-UHFFFAOYSA-N	363.417	3.248	30	40	FGEB	
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1	47086370	YBFMUHIWWWXUQU-UHFFFAOYSA-N	350.403	3.142	30	40	FGEB	
CC(=O)c1cc(C#N)c(SCC(=O)NCc2ccc(F)cc2)nc1C	14184150	BTHOQJCOJIYTBS-UHFFFAOYSA-N	357.410	3.012	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NC[C@H]1CCCO1	408799618	HDTCCEIQMYDRPW-MTEVNVADSA-N	356.397	3.250	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1	219644088	QKZSNICGASOVLH-UHFFFAOYSA-N	365.389	3.240	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC[C@@H](COc3ccnc(C)c3)C2)n1	1889108760	CRCXHYRVIFSDEP-CQSZACIVSA-N	355.467	3.069	30	40	FGEB	
N#Cc1ccc(N2C[C@H]3CCN(c4ccc(C(F)(F)F)nc4)[C@H]3C2)nc1	1889108910	AANJQCPJZZDOSM-HIFRSBDPSA-N	359.355	3.082	30	40	FGEB	
COC(=O)/C(O)=C/C(=O)c1cc(Br)ccc1Br	100965754	OOKJSSDOYKJOFX-YHYXMXQVSA-N	363.989	3.009	30	40	FGEB	
COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2ccc(C)cc2[nH]c1=O	883089	URURYRILHZHNED-INIZCTEOSA-N	361.401	3.166	30	40	FGEB	
C=CCOc1ccc(CN(C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1	23384607	DPSKPOKVTNSSQU-KKSFZXQISA-N	371.481	3.141	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(Br)c(OC(C)C)c(OC)c1	6594445	DHSMEEKXHLKSPF-CAOOACKPSA-N	374.304	3.063	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C#N)[C@@H]3C2=O)cc1	108521240	YNAOQICKJHRKCJ-LWYYNNOASA-N	355.397	3.034	30	40	FGEB	
Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C#N)[C@@H]3C2=O)c1	108522269	ZVGKWEKTPTUDPT-XSDIEEQYSA-N	369.424	3.342	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(=O)OCC)cc2)c1C	3282716	CRJWCDGALDWHLM-CIAFOILYSA-N	372.494	3.089	30	40	FGEB	
CC(C)=NNc1nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2s1	57354594	HNYUJAKTDHXKDA-UHFFFAOYSA-N	359.499	3.409	30	40	FGEB	
CC(=O)c1ccc(O[C@H](C)/C(O)=N/c2cccc(-c3nnn[nH]3)c2)cc1	38748048	ILTXRJRSHYTVDC-GFCCVEGCSA-N	351.366	3.125	30	40	FGEB	
COc1cc(OC)c(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl	6315270	XTUJXVMMZCBMSS-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
N#Cc1ccccc1NC(=O)CSc1nncn1CCc1cccs1	14093056	TUYSSXMFUOEBKU-UHFFFAOYSA-N	369.475	3.185	30	40	FGEB	
C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2	224820029	GTXICYSADWGSTE-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
COc1ccc(/C=N/Nc2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1	25665785	ANIIXTDUBODCLP-DJKKODMXSA-N	365.418	3.434	30	40	FGEB	
C[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(C#N)cc1	40132955	XTUSETZTPGOSGX-XJKSGUPXSA-N	369.856	3.095	30	40	FGEB	
CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1	5927230	YGDCNVFPXMKYCC-MRXNPFEDSA-N	369.446	3.415	30	40	FGEB	
COCCC/N=C(\S)NCCNc1nc2cc(C)cc(C)c2cc1C#N	13598933	PMMDMFAGRFABCV-UHFFFAOYSA-N	371.510	3.047	30	40	FGEB	
O=C1N/C(=N\c2ccccc2)S/C1=C/c1c([N+](=O)[O-])ccc2c1OCO2	5600676	SYXOHPGXSGZPQZ-RIYZIHGNSA-N	369.358	3.215	30	40	FGEB	
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(F)cc3)[C@]12C#N	100196523	JHXWOSNCSXBZOP-BMFZPTHFSA-N	360.483	3.474	30	40	FGEB	
COC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2c1N	20083690	DWESSJSOJLFYGF-UHFFFAOYSA-N	358.810	3.439	30	40	FGEB	
CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1	24744513	YRTFAISWEMYROS-UHFFFAOYSA-N	362.433	3.111	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@@H]1[C@@]1(O)CCCC[C@@H]1[C@H]2c1ccccc1	100644078	CRAJHTZPJNQQPO-KOASHTJWSA-N	357.523	3.311	30	40	FGEB	
Cc1ccc(N2CCN(CC(=O)Nc3sccc3C#N)C[C@H]2C)cc1	13737021	QLVBHDKJCQENIP-OAHLLOKOSA-N	354.479	3.077	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCOCC1	6790241	UYWRVJPEFBXESW-UHFFFAOYSA-N	371.824	3.066	30	40	FGEB	
O=C(O)CSC/C(=N/Nc1nncc2ccccc12)c1ccccc1	18194316	LUKNCUWWNZLNDP-SILNSSARSA-N	352.419	3.264	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1cccc([N+](=O)[O-])c1	18195596	MKAXAEUNVKJYFT-ZDUSSCGKSA-N	354.366	3.224	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(OCC(C)C)c(Br)c1	408601136	IQDYRUXOZLABDN-GIJQJNRQSA-N	370.316	3.468	30	40	FGEB	
C=CCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1	224265863	PRTXQHBBNVLMQH-UHFFFAOYSA-N	364.854	3.081	30	40	FGEB	
CN1CCN(c2ccc(N=C(O)[C@H]3CCCN3c3ccccc3)nc2)CC1	330251899	IBTUFZGDZRIMFA-LJQANCHMSA-N	365.481	3.090	30	40	FGEB	
CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c2ccccc21	250354125	XPEIGOKUIMTXJQ-SFIVAULESA-N	359.429	3.048	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	64085670	OTPIXRYRQCXFCK-IYJAJMOOSA-N	357.498	3.373	30	40	FGEB	
Cc1nc(=NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccc(C#N)cc2)[nH]1	610109988	MFLBTGYFGPMDOY-UHFFFAOYSA-N	372.215	3.428	30	40	FGEB	
COc1ccc(-n2c(SCC#N)nnc2-c2ccc([N+](=O)[O-])cc2)cc1	5007485	NRRSHORQWQQPEE-UHFFFAOYSA-N	367.390	3.467	30	40	FGEB	
COc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1OC(F)F	2789906	DXUBSOQXLODBQW-NGYBGAFCSA-N	364.324	3.430	30	40	FGEB	
CC[C@]1(C)NC(=O)N(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O	6354050	VXAUFYLLSAUZRZ-JLDPKJTDSA-N	352.438	3.457	30	40	FGEB	
N#Cc1cccc(CN2CCC(Cn3cnc4ccccc4c3=O)CC2)c1	1775973423	BHGALOQODNXTIG-UHFFFAOYSA-N	358.445	3.180	30	40	FGEB	
Cc1ccc(/N=C2\S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2C)cc1	100261625	FMENKEFAAAOSDG-WXVFVKJXSA-N	367.474	3.263	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Br)cc1	3336988	UGSKFWBJZBQIAE-UHFFFAOYSA-N	359.179	3.116	30	40	FGEB	
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccc(F)cc3)C(=O)O[C@@H]1C2	4085340	JHLRTSHNUXYPOF-OYSQMQRMSA-N	373.468	3.442	30	40	FGEB	
C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cccc(Cl)c2)CC1	57024443	TVLAAAIOTOSNCT-INIZCTEOSA-N	374.916	3.193	30	40	FGEB	
CSc1nc(C2CC2)cc(C(=O)OCC(=O)NC2CCCCC2)c1C#N	10711196	BPTLETHKKMYTGF-UHFFFAOYSA-N	373.478	3.158	30	40	FGEB	
Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(Cl)c3)C2=O)c1	408529164	CGTGTWSKXCOZTP-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)Oc2cccc(C#N)c2)s1	67893363	GDWFMOSMHOMQIC-NSHDSACASA-N	350.421	3.041	30	40	FGEB	
Cc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1	8008468	MZGDPGJOHLIXET-OAHLLOKOSA-N	352.390	3.206	30	40	FGEB	
COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	408591827	KPYVXLVBBGHNDG-RQZCQDPDSA-N	361.310	3.071	30	40	FGEB	
CC1(C)OB(C2=CCN(C(=O)[C@H]3Cc4ccc(F)cc43)CC2)OC1(C)C	1776000187	LIPFUARFOPGUAG-KRWDZBQOSA-N	357.234	3.256	30	40	FGEB	
C/N=C1\S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1C	6303647	WPRISGCGDUSQGE-ASLBFJQJSA-N	361.648	3.340	30	40	FGEB	
CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)c1cccs1	32899169	KNSDBLGWMWYVHQ-INIZCTEOSA-N	367.430	3.183	30	40	FGEB	
C=C(C)COc1cccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1	100765921	VUXRWALIFWWKHQ-RTBURBONSA-N	367.493	3.390	30	40	FGEB	
C=CCN1C(=O)/C(=C2/SC(N3CCC(C)CC3)=NC2=O)c2ccccc21	35262850	ZHENUPKDWSJXSH-WUKNDPDISA-N	367.474	3.292	30	40	FGEB	
CCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1	14157679	YCDSZYPACOZOQV-FQEVSTJZSA-N	367.424	3.247	30	40	FGEB	
Cc1c(Cl)cccc1N/C(N)=N/c1nc(-c2ccccc2)cc(=O)[nH]1	20503606	BCYOPNOFMQARSK-UHFFFAOYSA-N	353.813	3.457	30	40	FGEB	
C=CCn1ncc(CN(Cc2ccccn2)C[C@H]2CCCN2CC)c1C	23247775	DKQMDODJIGUEHX-OAQYLSRUSA-N	353.514	3.259	30	40	FGEB	
N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	218436964	WJMHEDCEAQYCFT-HOTGVXAUSA-N	360.797	3.452	30	40	FGEB	
C#Cc1cccc(NC(=O)CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1	47194726	DTNKPIMHHFTAIY-UHFFFAOYSA-N	350.462	3.281	30	40	FGEB	
N#CC1(C(=O)N2Cc3cc(-c4ccncc4)ccc3[C@H]2c2cnco2)CC1	96087081	BLDLMDQVVDSTNH-IBGZPJMESA-N	356.385	3.472	30	40	FGEB	
COc1ccccc1CN1CCN(c2ccc3cc(C#N)ccc3n2)CC1	92894791	NYMLMGKYXNMILT-UHFFFAOYSA-N	358.445	3.437	30	40	FGEB	
N=C(/N=c1/nc2ccccc2c(O)[nH]1)/N=C/c1c(O)ccc2ccccc12	18059316	GRHISYSGDFLDSO-SSDVNMTOSA-N	357.373	3.082	30	40	FGEB	
CN(C)S(=O)(=O)c1cccc(COc2ccc(C#N)cc2Cl)c1	18963573	ZMJDGGJUPNDYJK-UHFFFAOYSA-N	350.827	3.041	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C#N)C1	4275236	UTULQVZMMODSRI-UHFFFAOYSA-N	359.838	3.430	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(SC)nn32)cc1	22608298	KFWWBZXMTSHQML-QFYYESIMSA-N	356.451	3.277	30	40	FGEB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=S)NCCOC)cc1	3266132	FOSOSBPESUTBML-PXLXIMEGSA-N	370.522	3.158	30	40	FGEB	
CCOC(=O)[C@H]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1	12600306	PESPVVDTHYZOHB-UOEVCUDDSA-N	370.493	3.142	30	40	FGEB	
CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(OC)ccc1O	55146003	IINAMAIKQGIHIP-HTXNQAPBSA-N	362.451	3.274	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1	4953187	IUDVLMOQFXOYCR-HRCADAONSA-N	364.449	3.448	30	40	FGEB	
CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	8057677	PHBBGDQRZKEDQS-LJQANCHMSA-N	372.446	3.005	30	40	FGEB	
Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1	409094093	CTKYQBBQANHPJR-HAVVHWLPSA-N	365.477	3.419	30	40	FGEB	
C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	224807707	JUNFJCNHOVDCCY-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
COC(=O)c1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc([N+](=O)[O-])c1	5719952	YPVDDMZCNHWUBC-UHFFFAOYSA-N	359.725	3.159	30	40	FGEB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccccc1Cl	13574711	DEWWJIJDXKCECR-CYVLTUHYSA-N	357.757	3.439	30	40	FGEB	
CCN/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	6386085	TZIOBCLWJSZNIK-MRXNPFEDSA-N	371.437	3.488	30	40	FGEB	
N#CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3	101133984	GVDZSYOTNXFQFR-UHFFFAOYSA-N	363.446	3.068	30	40	FGEB	biogenic
CSc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)ccc1N	40018223	VIPKPMLGDSZCCS-LLVKDONJSA-N	355.419	3.046	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1	100237140	OCXRSLZMMPCDEY-RPFHUSMNSA-N	358.825	3.270	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C#N)C1	100925180	AMFVLUWXGBRYTC-AQQMGXQTSA-N	356.447	3.206	30	40	FGEB	
CSCCc1[nH]c(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)nc1C	12372023	QNTZFQBVUQNKDV-UHFFFAOYSA-N	363.512	3.171	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1	23700260	CTDKBPRXOXERKK-OAHLLOKOSA-N	362.495	3.178	30	40	FGEB	
C#C[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(OC(F)(F)F)cc1	8300180	XRARFEGJBPPUIT-KCQAQPDRSA-N	368.355	3.477	30	40	FGEB	biogenic,in-vitro
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1	12549673	KOPOQLFHWCUUQL-HZPDHXFCSA-N	360.417	3.389	30	40	FGEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	118934731	PSRYHQQVKMOFNA-RNUIGHNZSA-N	356.462	3.039	30	40	FGEB	
C=CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(OCC)cc2)c1C	3375174	QHRGMVIRXJJCQV-FYJGNVAPSA-N	356.495	3.477	30	40	FGEB	
Cc1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccccc1	6109225	VNTIYLOTIGCXFC-UHFFFAOYSA-N	355.448	3.240	30	40	FGEB	
C=CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1CC=C	4699142	PZOKQBHBYMGCOX-STGLLQLASA-N	363.870	3.341	30	40	FGEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1CC	409308649	YBMPDEYLIVQRKS-UHFFFAOYSA-N	373.254	3.425	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1	30775426	HEZYMSYFEJWMHZ-UHFFFAOYSA-N	370.796	3.082	30	40	FGEB	
Cc1cn(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)nc1C(F)(F)F	600086796	SYUDTUQEBNAXSX-UHFFFAOYSA-N	362.355	3.278	30	40	FGEB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(/N=C\N3CCCC3)cc2)cc1	17106505	IMTUAGQCVTYFKC-AQTBWJFISA-N	359.407	3.183	30	40	FGEB	
C[C@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1cccnc1)O2	4037180	HTIUHCFSDHKOSC-VKRLORBYSA-N	369.384	3.204	30	40	FGEB	
COc1ccc(-n2c(SCC(=O)NCCC#N)nc3ccccc32)cc1	8012466	SOLAAEIAHGAOJL-UHFFFAOYSA-N	366.446	3.156	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)/N=C(\O)COCc2ccccc2Cl)cc1	48503858	FIFIINIIXVFPAE-UHFFFAOYSA-N	364.810	3.074	30	40	FGEB	
COc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1cccc(F)c1	408879278	DRAMZWAGIGPZDY-KEBDBYFISA-N	372.425	3.484	30	40	FGEB	
OC/C(=N/Nc1ccccc1)c1cccc(/C(CO)=N\Nc2ccccc2)c1	13403611	RHNWEHNPPNHOKZ-ORFRIDJFSA-N	374.444	3.304	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccco2)sc2cc(Br)ccc21	100875271	FJKCEDHINFYMDK-ICFOKQHNSA-N	361.220	3.433	30	40	FGEB	
C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cs1	10133239	QSLKSEDUXUMNOU-LLVKDONJSA-N	373.434	3.128	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C	11297364	KBCKESIVOGNDNH-VZUCSPMQSA-N	359.447	3.150	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccc1F	102541074	JDPCUCWOWCJGAW-HVESIFNPSA-N	373.380	3.185	30	40	FGEB	
C=CCOc1c(I)cc(Br)cc1C=O	2764816	KRHHSCQSBDKAGP-UHFFFAOYSA-N	366.980	3.431	30	40	FGEB	
C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1Cl	14018939	SHAVIEVVVBKXJT-NSHDSACASA-N	358.785	3.409	30	40	FGEB	
CCOc1ccc(OCCSc2[nH]c3ccccc3[n+]2CC(=O)O)cc1	6508636	NAYAPDBHLCTXQU-UHFFFAOYSA-O	373.454	3.110	30	40	FGEB	
Brc1ccc(/C=N/Nc2nn3cnnc3c3ccccc23)cc1	4880818	TUYHGVWEWMHWTM-GIJQJNRQSA-N	367.210	3.486	30	40	FGEB	
C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2	7778971	KAXGSMXCDUBXFB-UHFFFAOYSA-N	355.390	3.212	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)Nc1cc(Br)n(C)n1	95460756	MHTPPNFUSPPLAP-UHFFFAOYSA-N	363.259	3.445	30	40	FGEB	
C=CCN1[C@@H](Cc2c[nH]c3ccccc23)[C@H](O)c2ccccc2S1(=O)=O	13690134	MRHIHQSQKKLKOP-AZUAARDMSA-N	368.458	3.003	30	40	FGEB	
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nnnn1-c1ccc(Cl)cc1	16400672	ZOVHJCXEXDIBDF-AWEZNQCLSA-N	358.188	3.459	30	40	FGEB	
COc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)c1	18325201	DDFKTEQUJFJZQJ-OAHLLOKOSA-N	373.409	3.082	30	40	FGEB	
CC1=C/C(=N\NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC(C)(C)C1	4962495	GXJMYDHWWXBGDK-GHRIWEEISA-N	351.428	3.304	30	40	FGEB	
N/C(=N/OCC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1	50512642	MJHCBAQJDRVOJS-UHFFFAOYSA-N	357.407	3.338	30	40	FGEB	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1	14072431	VIOVQSDAMQTTCH-ZDUSSCGKSA-N	370.403	3.325	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1	4953193	IUDVLMOQFXOYCR-BZUAXINKSA-N	364.449	3.448	30	40	FGEB	
C[C@@]1(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)CC1(Cl)Cl	15275508	BPXGAIMHPGPTFT-HNNXBMFYSA-N	373.211	3.199	30	40	FGEB	
CC(C)NC(=S)N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1	5977096	XHZQIPSDSUNQOW-QJOMJCCJSA-N	351.479	3.382	30	40	FGEB	
Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408537793	XHYJKAUFJAOEJV-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
CCn1ncc([C@@H](C#N)c2ccc3ccccc3n2)c(Br)c1=O	26511256	RDBXOTHWHBLGLO-GFCCVEGCSA-N	369.222	3.229	30	40	FGEB	
C=CCSc1nnc(NS(=O)(=O)Cc2ccccc2Cl)s1	225767512	PUYDTRMKDYBGLQ-UHFFFAOYSA-N	361.901	3.412	30	40	FGEB	
N#Cc1cnn(-c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)c1N	46073042	YAQACVVZRKZWLO-UHFFFAOYSA-N	357.417	3.387	30	40	FGEB	
CCN1CCN(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)CC1	3038174	NFUYTRODPGUHPF-XSFVSMFZSA-N	354.410	3.193	30	40	FGEB	
COc1ccc(C(=O)/C=C/N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1	19594231	IOFIFQXETLIYPU-VYENPZKTSA-N	364.401	3.158	30	40	FGEB	
N#Cc1ccc(CN2CCC(Cn3cnc4ccccc4c3=O)CC2)cc1	1849456427	SDIRTHAPFCNWRZ-UHFFFAOYSA-N	358.445	3.180	30	40	FGEB	
CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C#N)cc1	58354713	AJNRCMCQBGAKIU-HXUWFJFHSA-N	361.445	3.496	30	40	FGEB	
Cn1c(C2=C(N)N(c3ccc(Cl)cc3F)CC2=O)nc2ccccc21	5182974	LKNZMYCJKCAMQL-UHFFFAOYSA-N	356.788	3.082	30	40	FGEB	
N#CCSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	4993996	JEJGMEPFXWFCKF-UHFFFAOYSA-N	367.390	3.370	30	40	FGEB	
COc1ccc2c(c1)/C(=N/OC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2	32131525	SWZUOOMOLPRASI-CZIZESTLSA-N	354.362	3.430	30	40	FGEB	
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC(F)F)c1	46035873	OJDYQAJRAQUDJW-LLVKDONJSA-N	352.362	3.199	30	40	FGEB	
N#Cc1cc(N)c(Cc2cccc(Cl)c2)n1CC(=O)N1CCCCC1	225858123	XBYHOZDXRBNQPN-UHFFFAOYSA-N	356.857	3.199	30	40	FGEB	
C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cn1	225919830	KBJVIAZINCUWOS-UHFFFAOYSA-N	372.396	3.476	30	40	FGEB	
CNC(=O)[C@@H]1CCC[C@H]1N/C(O)=N/[C@H](C)c1ccc(Cl)cc1Cl	331295471	NJPOCPXJVZLSPE-GAJTVXKRSA-N	358.269	3.473	30	40	FGEB	
N#Cc1cc(NCc2nnnn2-c2ccccc2)ccc1OCC(F)(F)F	55849677	BDAKKMNHPRVPII-UHFFFAOYSA-N	374.326	3.087	30	40	FGEB	
Cc1cccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1	19961387	YLFSYCOSNWCRHC-CVEARBPZSA-N	371.400	3.046	30	40	FGEB	
O=C1/C(=C/C=C/c2ccccc2)Oc2c1ccc(O)c2CN1CCOCC1	13814623	VPBUVVMAEIYXJQ-FJASIERCSA-N	363.413	3.397	30	40	FGEB	
O=C(N1CCCCC1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	2809937	UQAMUYDIDGMGMH-SNVBAGLBSA-N	359.188	3.194	30	40	FGEB	
N#Cc1c(N2CCCC2)nn(C(=O)Nc2ccc(Cl)c(Cl)c2)c1N	7654870	BMAZHRYWXPKRGU-UHFFFAOYSA-N	365.224	3.324	30	40	FGEB	
C=CCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F	12728479	OJEPGSFOTMXSDH-UHFFFAOYSA-N	364.249	3.221	30	40	FGEB	
O=C1/C(=C/c2ccco2)Oc2c1ccc1c2CN(C[C@H]2CCCO2)CO1	13725121	FWVOUVJNNXKHSF-BBSXFRJVSA-N	353.374	3.227	30	40	FGEB	
CCOc1cc(/C=N/Nc2nc(C)cc(C)n2)cc(Br)c1O	4342388	SXMFXJVDUYTJMA-CAOOACKPSA-N	365.231	3.406	30	40	FGEB	
C=CCN(CCN1C(=O)[C@@H](C)Oc2ccccc21)Cc1cccc(C#N)c1	89919840	CIOWFDXRZUZDGL-QGZVFWFLSA-N	361.445	3.360	30	40	FGEB	
CN(C)c1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1	408951380	IXQLELSFLYBRMN-HYARGMPZSA-N	358.401	3.173	30	40	FGEB	
CCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(C)=O	36624094	AGUQPWNDMZRLAF-AWEZNQCLSA-N	353.216	3.065	30	40	FGEB	
CCN1C(=O)/C(=C\c2cccnc2)S/C1=N\c1ccc(C(=O)O)cc1	210531408	CDFMHIVLHINEGY-GOIJELEESA-N	353.403	3.404	30	40	FGEB	
Cc1cccc(N2CCN(c3ncc(Br)cc3C#N)CC2)c1	319192141	LUYPMZXZGPOBQC-UHFFFAOYSA-N	357.255	3.351	30	40	FGEB	
CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	253562560	DKMSCVCZHILAAK-YBSAJQQWSA-N	360.413	3.380	30	40	FGEB	
CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5197206	OBEVQVBZPARNMA-NBVRZTHBSA-N	373.321	3.127	30	40	FGEB	
C=CC[C@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@@H](C(=O)OCC)[C@H]3C=C[C@]21O3	2134092	ZXQWXPZHCBDOMJ-GFAJBQDWSA-N	373.836	3.134	30	40	FGEB	biogenic
C#CCOC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1	4217243	SWKACZZMDOWWGU-YOEHRIQHSA-N	367.232	3.108	30	40	FGEB	in-man
CCOc1ccccc1N/N=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C	100532651	CTJQNNZYDYRPDS-JZJYNLBNSA-N	367.365	3.184	30	40	FGEB	
COc1cc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1OC	12776538	WFAURMBZRDECBC-UHFFFAOYSA-N	372.446	3.315	30	40	FGEB	
Cc1cc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)n2c2ccccc12	3495922	XJFPCOOXIGGRHN-IBGZPJMESA-N	367.478	3.338	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1	6238836	UCGCPJFKMKABOK-GOSISDBHSA-N	351.402	3.301	30	40	FGEB	
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1	4331399	ZSNUNWVHVNWUAO-CYBMUJFWSA-N	367.478	3.376	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)cc1	306141602	WBUWTWPEAVGOSF-RTBURBONSA-N	369.428	3.076	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1O	17073922	LMTSKTQGPHEOKP-NDENLUEZSA-N	358.394	3.387	30	40	FGEB	
CCOc1cc(/C=N\N2C(=O)CSC2=S)cc(Cl)c1OCC	409332969	SUMQQMMLGIPUOF-APSNUPSMSA-N	358.872	3.332	30	40	FGEB	
C=CCc1ccccc1OCc1nnc(S[C@H](C)C(=O)O)n1CC=C	27532700	CCFJXFMHZUTQTA-CYBMUJFWSA-N	359.451	3.337	30	40	FGEB	
Cc1nn(C)cc1/C=C/C(=O)c1cc2cc(Br)ccc2oc1=O	225393764	QQHOOXSQBYFQAQ-HWKANZROSA-N	373.206	3.494	30	40	FGEB	
C=CCSc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O	26092696	QNHYUQCZTLRPTQ-UHFFFAOYSA-N	354.431	3.424	30	40	FGEB	
CCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1	6047945	SYGOETXDABPYSP-LDADJPATSA-N	352.843	3.441	30	40	FGEB	
CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCOCC3)c2CS1	13116080	XKFVOUNUBDEVFY-UHFFFAOYSA-N	374.535	3.364	30	40	FGEB	
COc1ccccc1[C@@H](C(C#N)C#N)[C@H]1C(=O)N(Cc2ccccc2)N=C1C	848871	LUORPJDVYTXPIN-LEWJYISDSA-N	372.428	3.477	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1	23436981	MKDVTEMFYIUJNT-UHFFFAOYSA-N	365.502	3.457	30	40	FGEB	
C=C1[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H]1C(=O)Nc1ccc(OC)cc1	3170062	KOCYPWMJMMKXKE-QZTJIDSGSA-N	352.390	3.083	30	40	FGEB	
COc1cccc(OC/C(O)=N/S(=O)(=O)C2=Cc3ccccc3CC2)c1	58033401	CDOYERCQMKNGSC-UHFFFAOYSA-N	373.430	3.348	30	40	FGEB	
N#Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1	12792935	GRLXEAXEOJXCMJ-DHZHZOJOSA-N	359.429	3.449	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)CC)nc2cc(Cl)ccc2c1=O	3427596	ZPGFXNSDPDWIRO-NSHDSACASA-N	365.886	3.243	30	40	FGEB	
CC(=O)Nc1cccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1	24506960	HUPIEWOAHZBKPR-UHFFFAOYSA-N	360.335	3.445	30	40	FGEB	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)c(F)c1	14072430	VIOVQSDAMQTTCH-CYBMUJFWSA-N	370.403	3.325	30	40	FGEB	
CCc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O	6419354	KWRQMGNGBVOLKW-MRXNPFEDSA-N	353.447	3.497	30	40	FGEB	
C=CCSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1	6595443	ODAMYRVOMKRWNX-UHFFFAOYSA-N	365.480	3.189	30	40	FGEB	
C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2ccc(F)cc2)CC1	97164577	SZYUBGIFMBESLH-UHFFFAOYSA-N	371.460	3.233	30	40	FGEB	
Cc1nn(C)c(F)c1/C=N/Nc1nc(-c2ccco2)cc(C(F)F)n1	252508395	XMSBSRXVGBSILX-FBCYGCLPSA-N	350.304	3.301	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)C=CC(=O)[C@@]3(C)[C@H]1C2	1772591392	AXKTZQUAUIMSFK-HWGMFFOMSA-N	360.450	3.067	30	40	FGEB	
CCOC(=O)c1ccc(-c2ccc(/C=N/N3C(=O)CSC3=S)o2)cc1	2621544	LSDYEROUCHGHKA-GIJQJNRQSA-N	374.443	3.318	30	40	FGEB	
COC(=O)CCC(Nc1cccc(OC)c1)=C1C(=O)CC(C)(C)CC1=O	1440368	PJHGHLBXQIVGAE-UHFFFAOYSA-N	359.422	3.273	30	40	FGEB	
COC(=O)C12C3=C(/C(=N\O)C=C/C3=N/O)C(c3ccccc31)c1ccccc12	104138811	COGVHCBSLOMBFL-KHFFFTKUSA-N	372.380	3.131	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	2280313	FWSCZPBUIMTBMK-CYBMUJFWSA-N	368.216	3.458	30	40	FGEB	
CCOc1ccc(CCNC(=O)COc2cccc(C#N)c2)cc1OCC	12798995	WKXWCYQMRMXGKW-UHFFFAOYSA-N	368.433	3.093	30	40	FGEB	
Nc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@H](c3ccco3)CC1=O)N2	18200610	WDGVBJJTONSETJ-APPDUMDISA-N	365.368	3.008	30	40	FGEB	
COC(=O)c1cccc(/N=C\c2ccc(N3CCOCC3)cc2OC)c1	409245892	AMNFEAJXOAPVMM-STZFKDTASA-N	354.406	3.069	30	40	FGEB	
COC(=O)c1ccc(/C=C/C(=O)c2cc3ccc(OC)cc3oc2=O)cc1	71328608	CJPZLAUMENXCOX-BJMVGYQFSA-N	364.353	3.484	30	40	FGEB	
C=CCOc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1	223822959	DLJMGIASEWIVFJ-UHFFFAOYSA-N	361.419	3.147	30	40	FGEB	
N#Cc1cccc(N2C[C@@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)c1	96238879	LTLCZRTUWFECKU-NRFANRHFSA-N	366.465	3.029	30	40	FGEB	
N#CC[C@]1(O)CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1	592843772	UKXNQNTXFXIWQT-FQEVSTJZSA-N	370.836	3.410	30	40	FGEB	
COc1ccc(NC(=O)COc2ccccc2C(=O)OCC#N)cc1Cl	5362577	KERNKPLGKPOXAN-UHFFFAOYSA-N	374.780	3.046	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN(C4CCCCCC4)CN3)nc2c1	19320710	ZJLDUBCMXBONSG-UHFFFAOYSA-N	352.486	3.367	30	40	FGEB	
N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2n1	40150585	ZCAOODDUKPAJBS-MOPGFXCFSA-N	369.424	3.460	30	40	FGEB	
Cc1occc1C(=O)[C@@H](C#N)C(=O)c1ccc(NC(=O)NC2CC2)cc1	103503119	FWTLSJOZJMZLPD-INIZCTEOSA-N	351.362	3.077	30	40	FGEB	
CC(C)C[C@H](NC(=O)CSc1nc(N)cc(N)c1C#N)c1ccccc1	12600788	QDUBMILSPIMRLD-INIZCTEOSA-N	369.494	3.113	30	40	FGEB	
Cc1nnc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1-c1ccccc1	3386046	XCEAENIAFVZJTM-UGSOOPFHSA-N	357.483	3.111	30	40	FGEB	
O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccncc1)c1ccco1	6424003	VQQOJFLMPFXVFN-IBGZPJMESA-N	374.396	3.496	30	40	FGEB	
CCn1c(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1C	7794216	KTORUYLRLNBSBB-UHFFFAOYSA-N	371.462	3.342	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(CC(C)(C)CC1=O)N2	18219466	WWZLJDUAIGIOKI-HNNXBMFYSA-N	356.451	3.364	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cncc(Br)c2)s1	20835968	QRGKIEQMEOXDPZ-UHFFFAOYSA-N	357.258	3.226	30	40	FGEB	
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1	225099052	RLUYPSWLKZJJKQ-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
CC(C)(C)c1cc(C2[C@@H](C#N)C(=O)NC(=O)[C@H]2C#N)cc(C(C)(C)C)c1O	17124908	CRFBLOBUNPXQCZ-OCZCAGDBSA-N	367.449	3.007	30	40	FGEB	
NC(=S)Nc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1	6276588	LOSAZRRNXNEFNY-REZTVBANSA-N	350.787	3.360	30	40	FGEB	
CCc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2c2ccccc2)cc1	6359206	MDXLYKCNRPGZDS-HVCBDAARSA-N	374.487	3.462	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(=O)OCC)c2)c1C	6387069	LPNJSNBYDZGHRI-CIAFOILYSA-N	372.494	3.089	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(S(C)(=O)=O)c3)c2C#N)C1	4517890	NKOMZSRWMXMUIL-LLVKDONJSA-N	374.487	3.400	30	40	FGEB	
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cccc(C#N)c1	21233899	UDMMKEYJMPEOAZ-UHFFFAOYSA-N	360.772	3.166	30	40	FGEB	
CCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CC)n2c(CC)nnc2S1	4518316	JAERFQJUULFHAT-UHFFFAOYSA-N	370.478	3.477	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	57557613	PVEMEKWZYBVTFE-UHFFFAOYSA-N	359.769	3.416	30	40	FGEB	
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(N3CCOCC3)cc2)c1O	8659642	BOZIGKFZUQXGBT-MOSHPQCFSA-N	371.393	3.286	30	40	FGEB	
C=CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1OC	10961078	XQIAOCOZTVVVKS-CYBMUJFWSA-N	355.390	3.480	30	40	FGEB	
CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OCCOC	4296187	QAOLPEURHSRIRZ-HNNXBMFYSA-N	370.453	3.053	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl	9645597	JLEALYSABORDKD-UHFFFAOYSA-N	356.190	3.117	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CN1C(=O)COc2ccccc21	23299862	ISWRPXJTPKYICZ-UHFFFAOYSA-N	354.431	3.329	30	40	FGEB	
C[C@@H]1CN(c2ccccc2NC(=O)Nc2ccn(CCC#N)n2)C[C@@H](C)O1	97164657	FJVMJJXEBCECHF-HUUCEWRRSA-N	368.441	3.054	30	40	FGEB	
CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	118936713	IUQJWMVFSCOAHF-KFNUBTNKSA-N	362.510	3.087	30	40	FGEB	
N#CC1(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)CCCC1	8201838	REKFDXCJQLVKSH-UHFFFAOYSA-N	368.506	3.428	30	40	FGEB	
C#CCCCC(=O)N1CCOC2(CCN(Cc3cccc(Cl)c3)CC2)C1	1615611426	LRGDPFPJIYRCCP-UHFFFAOYSA-N	374.912	3.337	30	40	FGEB	
C[C@H](F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	1083813020	SJWHZRSOWLQOOD-VKHMYHEASA-N	360.169	3.117	30	40	FGEB	
COc1cc(OC)c(/C=N/c2ccc(C(N)=O)cc2)cc1Br	1234412	UHSNMELBYBGBNB-DJKKODMXSA-N	363.211	3.316	30	40	FGEB	
O=C1CCCC/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	18099620	PYIDPYDGPJDMEH-QXMHVHEDSA-N	363.464	3.383	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc1	5813239	UIJRCGXPIHYIIT-UHFFFAOYSA-N	368.364	3.498	30	40	FGEB	
Cc1cccc2cc(C#N)c(NCCNC(=O)NC3CCCCC3)nc12	4411522	JNSAQTVOUHMDDY-UHFFFAOYSA-N	351.454	3.459	30	40	FGEB	
Cc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(OCC(F)(F)F)c1	57265265	MRERIRHFTCCUTE-INIZCTEOSA-N	355.360	3.157	30	40	FGEB	
COc1cccc(/C=N/N2C(=O)CN(C(C)C)[C@@H]2c2cccc(OC)c2)c1	408975185	KCTNYQOVNKVXKH-UKKLRFBMSA-N	367.449	3.289	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@H](C)C2)cc1	225858684	CYOKJTCTDJLMFF-INIZCTEOSA-N	350.466	3.100	30	40	FGEB	
CCCCN(C)C(=O)COc1c(Br)cc(C#N)cc1OCC	69975423	RYTFUEQNIIVUNQ-UHFFFAOYSA-N	369.259	3.357	30	40	FGEB	
N#Cc1ccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1	13283473	NMRQISCKNUDADU-UHFFFAOYSA-N	351.797	3.412	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1	18122641	PNGOKFSDBQHQCL-UHFFFAOYSA-N	357.816	3.309	30	40	FGEB	
CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCO)C2=O)cc1	4063963	SDPLYQOYVNYKSD-PTPABZONSA-N	367.474	3.349	30	40	FGEB	
O=c1[nH]c2ccccc2c(=O)n1CC/C(O)=N/[C@@H]1CCCc2ccccc21	6954038	CTXWHHFUNYNFAI-QGZVFWFLSA-N	363.417	3.114	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(OC)c(CN3CCOCC3)c2)cc1	20035990	IITWCJAPPMRXEM-YCRREMRBSA-N	367.445	3.432	30	40	FGEB	
CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(/C=N/CCO)ccc12	3141118	IMWKQYXBICKFFA-QGMBQPNBSA-N	368.842	3.101	30	40	FGEB	
Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12	4964457	YYHGQVHIKAIDIT-UHFFFAOYSA-N	360.417	3.022	30	40	FGEB	
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(=O)Nc1ccccc1Cl	7266044	KGBSVJCJFHJDTH-ZDUSSCGKSA-N	370.840	3.109	30	40	FGEB	
O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1	2362228	HIBPTYXYLARXGG-MQUOELAISA-N	372.381	3.199	30	40	FGEB	
N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCOCC1	2414649	AGDPRJJWZBXXSQ-UHFFFAOYSA-N	354.193	3.269	30	40	FGEB	
C=C(C)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H]1CCCO1	14122969	RZLJTPLNVPHYHL-CQSZACIVSA-N	374.462	3.030	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccc(C)cc1	4816368	CMZMJYKBANBZKE-UHFFFAOYSA-N	372.479	3.022	30	40	FGEB	
CCNC(=O)NCCCOC(=O)c1ccccc1-c1ccccc1C#N	68038998	XSPFSZHYLVWBNL-UHFFFAOYSA-N	351.406	3.091	30	40	FGEB	
N#CCc1ccc(NC(=O)CNc2ccccc2[C@@H](O)C(F)(F)F)cc1	95992779	ZISPIKSXGYXLMS-QGZVFWFLSA-N	363.339	3.399	30	40	FGEB	
CCCCCCCc1nnc(SCC(=O)NCc2ccco2)n1C	408560670	NCDLIXHILWRMGY-UHFFFAOYSA-N	350.488	3.330	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)CO)cc1	218364071	QPBVBOSGUGRZNH-KSZLIROESA-N	361.850	3.090	30	40	FGEB	
CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	218471690	HITWJLUVHAKRPZ-GBESFXJTSA-N	359.422	3.312	30	40	FGEB	
Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCCCCC2)n1	44170067	LOPLAOIGLITBGP-UHFFFAOYSA-N	365.437	3.055	30	40	FGEB	
Cc1nc(C)c([C@@H](C)NC(=O)NCCNc2cccc(F)c2C#N)s1	57282918	RWMKJOWMWSEZOF-LLVKDONJSA-N	361.446	3.243	30	40	FGEB	
CC/N=C1\S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C(=O)N1CC	6317771	ZFWLNFKKPFZNGQ-DSJJYHEDSA-N	369.446	3.488	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(O)cc1)c1ccco1	85409856	LRAUQJSPNPZOHG-CQSZACIVSA-N	368.370	3.225	30	40	FGEB	
COc1cccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N3)c1	4189668	OGSWBKBIEQDEHR-IBGZPJMESA-N	373.416	3.371	30	40	FGEB	
C=CCSc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1	21351845	PEPKWKSTRDIVHK-UHFFFAOYSA-N	359.432	3.483	30	40	FGEB	
C=CCN(CC=C)[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)C(C)C	23078382	GUNMFLIYACCRDW-ZDUSSCGKSA-N	368.407	3.254	30	40	FGEB	
N#CCCCOC(=O)c1oc2ccccc2c1CSc1nccc(=O)[nH]1	58017506	MGNPLJIWHWCSDO-UHFFFAOYSA-N	369.402	3.269	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1	12751331	NFSKCCWCMNZEPY-UHFFFAOYSA-N	370.474	3.282	30	40	FGEB	
C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccccc1	10537145	CPBLUZXHKHVPFL-UHFFFAOYSA-N	369.446	3.422	30	40	FGEB	
CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1cccs1)=C2	48450219	HBVLMFYUMQYRLF-UHFFFAOYSA-N	365.432	3.268	30	40	FGEB	
CC(=O)Nc1s/c(=N\N=C\c2ccc(O)cc2)[nH]c1-c1cccs1	13638976	SWFVPBGTOPXYQV-RQZCQDPDSA-N	358.448	3.404	30	40	FGEB	
CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\C3CCCCC3)NC2=O)cc1	21132961	RAOKRDRILRARHP-MRXNPFEDSA-N	373.478	3.138	30	40	FGEB	
CCOC(=O)c1sc(NC(=S)NC(=O)c2ccccc2)c(C#N)c1C	35682008	VSMDCBDYWZFDPF-UHFFFAOYSA-N	373.459	3.232	30	40	FGEB	
C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCOC)C2	49171859	PIBMECLPDZJQAJ-OALUTQOASA-N	369.509	3.191	30	40	FGEB	biogenic,in-vitro
COc1ccccc1[C@H]1O[C@]23CCCC[C@@H]2C(C#N)(C#N)[C@@]1(C#N)C(=N)O3	5023825	SQOKEPRIYFHPFR-SMOSDQRPSA-N	362.389	3.204	30	40	FGEB	
C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C4CC4)sc3C)cc21	19820255	MSHGMSJNRKDYKW-UHFFFAOYSA-N	369.446	3.378	30	40	FGEB	
N#Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1	579562230	VMFQUSCGJTTWQR-HNNXBMFYSA-N	352.356	3.379	30	40	FGEB	
CN1/C(=C\C(=O)COc2ccccc2C(N)=O)C(C)(C)c2ccccc21	5689191	SFKYXEUPGMZRPH-UNOMPAQXSA-N	350.418	3.045	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1	85409684	IEGVKZUFGVNYDF-GOSISDBHSA-N	366.417	3.005	30	40	FGEB	
COC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1	793496	QDAIBRYGCRMYFF-UHFFFAOYSA-N	367.368	3.267	30	40	FGEB	
C[C@H](NC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccccc1)N1CCOCC1	40067640	NRRZKJSQDNKPTL-JXFKEZNVSA-N	364.449	3.142	30	40	FGEB	
CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN3CCOCC3)CC[C@H]21	20111587	MXGIYHZVIKLRKE-CBQOVEMMSA-N	355.478	3.420	30	40	FGEB	biogenic
CCN(CCC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1	31173913	FBFWDDOVBSHPEY-HNNXBMFYSA-N	371.462	3.110	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@H](CC(C)C)C1=O	23642188	KWYQWWWWORBKCS-CYBMUJFWSA-N	355.891	3.314	30	40	FGEB	
C=CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)CC	58201930	IVCYMZYBNJZVPM-ZDUSSCGKSA-N	373.482	3.020	30	40	FGEB	
N#Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1	3317496	FJYHFDWDJNFEMM-UHFFFAOYSA-N	365.414	3.282	30	40	FGEB	
Cc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408739903	BQMFMUUNXSOTIJ-VYXQJKENSA-N	371.849	3.415	30	40	FGEB	
O=C1C(N2CCCCC2)=C(n2nnc3ccccc32)C(=O)c2ccccc21	1241200	OCJDGNHRDKLJRX-UHFFFAOYSA-N	358.401	3.165	30	40	FGEB	
C#CCN(Cn1nc(-c2ccc(F)cc2)oc1=O)[C@@H]1CCc2ccccc21	32934454	XXHYFFWEUCWXBK-LJQANCHMSA-N	363.392	3.223	30	40	FGEB	
C=CCc1cc2c(cc1COCOCCOCCOCCCC)OCO2	4896116	COBJDHYYLPOLLM-UHFFFAOYSA-N	366.454	3.468	30	40	FGEB	
COc1ccccc1COC(=O)/C=C/c1ccc(OCC#N)c(OC)c1	7980074	UESVQCUTUZUYLH-CSKARUKUSA-N	353.374	3.363	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	2280314	FWSCZPBUIMTBMK-ZDUSSCGKSA-N	368.216	3.458	30	40	FGEB	
COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)OCC#N)cc1OC	12272164	HTCBHCLDDWKIEB-UHFFFAOYSA-N	363.373	3.237	30	40	FGEB	
CC(C)Cn1c(SCC(=O)NC2(C#N)CCCC2)nnc1-c1ccco1	9567174	DJSLLUZNNFIFQS-UHFFFAOYSA-N	373.482	3.239	30	40	FGEB	
O/C(=N/Cc1ccnc(N2CCCC2)c1)Nc1cnc2c(c1)CCCC2	329435292	ISRIHMPGGTZYTJ-UHFFFAOYSA-N	351.454	3.482	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1	12378001	MTENWJVVCLXOBV-INIZCTEOSA-N	369.446	3.252	30	40	FGEB	
CC/C(Nc1ccc(OC)cc1)=C1\C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	100157954	HGKUOAMKEACCON-YHKKIHSWSA-N	359.422	3.129	30	40	FGEB	
CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cccc(C#N)c1	44841630	QVBCKOCTLGCMRV-UHFFFAOYSA-N	363.417	3.220	30	40	FGEB	
CCOC(=O)/C(=N/Nc1ccccc1OC)N1CCCc2ccccc21	2205343	WGGLXZOPUKZSKT-QOCHGBHMSA-N	353.422	3.437	30	40	FGEB	
C=CCN(CC=C)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC(C)C	2354174	RBNWEEZYMCANNK-HNNXBMFYSA-N	350.422	3.367	30	40	FGEB	
O=C1/C(=C/c2ccccc2F)Oc2cc(OC(=O)N3CCOCC3)ccc21	13759146	HNNYHMCSHDVRCP-WQRHYEAKSA-N	369.348	3.273	30	40	FGEB	
CN1CCc2c(C#N)c(NC3CCCCC3)nc(NC[C@@H]3CCCO3)c2C1	13817463	UQGSIDMQNAEDIH-INIZCTEOSA-N	369.513	3.277	30	40	FGEB	
COc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl	409351447	WKJFAKRHUUFMPO-UHFFFAOYSA-N	364.188	3.300	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1	408708670	KJOSXGYRAXNPDZ-UHFFFAOYSA-N	358.825	3.202	30	40	FGEB	
COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F	4494069	FPJLMUVKSDXNNS-SECBINFHSA-N	350.296	3.390	30	40	FGEB	
N#Cc1ccccc1S(=O)(=O)NCc1cncc(-c2ccsc2)c1	206951245	PAHGZFBAYNYTOP-UHFFFAOYSA-N	355.444	3.160	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccc(F)cc1)N(C)CC3)OCO2	20111933	UVBUMIIKYMCXBC-GRVPHDJPSA-N	372.396	3.361	30	40	FGEB	biogenic
COc1cccc(/N=C(O)/C(C#N)=N/Nc2cc(C(=O)O)ccc2C)c1	33497428	NXUUBGCVEKTPFV-CJLVFECKSA-N	352.350	3.282	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)Nc1cc(C)nn1-c1ccccc1	22560975	FUYABSNSZIWKGM-UHFFFAOYSA-N	362.389	3.079	30	40	FGEB	
COc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC	44842435	GSCMCPLODDDWAU-VOTSOKGWSA-N	357.362	3.250	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3nc(C4CC4)cs3)CC2)nc1	48286043	JGPLYOUZDGQWGH-UHFFFAOYSA-N	353.451	3.142	30	40	FGEB	
COCCOC(=O)/C(OC1=CC(=O)C[C@@H](c2ccccc2C)C1)=C(/C)O	112116243	ZUVZQBDICXYFGL-WBFOAEISSA-N	360.406	3.321	30	40	FGEB	
CCCCOc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1	7424989	ZDGDGFWKLJFGDC-UHFFFAOYSA-N	362.433	3.458	30	40	FGEB	
N#CCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3	8772754	ZANFIYGTJFWZAE-UHFFFAOYSA-N	363.446	3.480	30	40	FGEB	
COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2)cc1	8937585	SQWMKDMGXUZUMZ-KZULUSFZSA-N	373.482	3.015	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1ccccc1Cl	408741530	QJIWDBRVLSVHPN-AINDZBIGSA-N	357.822	3.106	30	40	FGEB	
O=C(COc1ccc(/C=N/c2cccc(Cl)c2)cc1)N1CCOCC1	409243496	WZFPVAOBNTWUEH-FYJGNVAPSA-N	358.825	3.328	30	40	FGEB	
C#CC[C@@H](CC(F)(F)F)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	521394807	VUXZRZIDMDJVNE-LBPRGKRZSA-N	364.371	3.228	30	40	FGEB	
CC1(C)Oc2ccccc2[C@H]2O[C@](C)(C#CCN3CCOCC3)CC[C@@H]21	33737234	MXGIYHZVIKLRKE-CZTZKLFOSA-N	355.478	3.420	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1	225923905	TWBLPMRNQIWRPJ-GASCZTMLSA-N	374.558	3.032	30	40	FGEB	
N#Cc1cccc(N[C@H]2CO[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)n1	96073870	JTOFNCOKBBJCSH-TZIWHRDSSA-N	366.440	3.328	30	40	FGEB	
C#CCOc1cccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccc(C)cn3)C2)c1	19216015	GFTZSGNZOVBNSD-WPYKKVEZSA-N	362.473	3.132	30	40	FGEB	
COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)cc1	13776539	JMUGMCNIRUDVMJ-ZDLGFXPLSA-N	364.353	3.405	30	40	FGEB	
COc1cc2c(cc1OC)CN(CCC(=O)Nc1sccc1C#N)CC2	30672975	UPUTZADZXIQPNR-UHFFFAOYSA-N	371.462	3.024	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCCOc1ccc(Cl)cc1	52450963	PADYJNPCTBSYNK-GOSISDBHSA-N	351.878	3.095	30	40	FGEB	
O=C1c2cn[nH]c2N=C(Nc2ccccc2)[C@@H]1/N=C\c1ccc([N+](=O)[O-])cc1	104302460	GHXSOKVBPRVLBQ-HSGPEQJXSA-N	374.360	3.144	30	40	FGEB	
NC(=O)[C@@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1	2450602	PPICTQXTRIRMSD-WXVFVKJXSA-N	367.474	3.126	30	40	FGEB	
CC1=C(C(=O)OCCC#N)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1	4189588	LSRJZAQLELTSAK-CYBMUJFWSA-N	354.193	3.078	30	40	FGEB	
Fc1cnc(N/N=C/c2ccc(-c3ccccc3)o2)nc1N1CCOCC1	4320673	MDTPZHBMQDZUEO-WSDLNYQXSA-N	367.384	3.158	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccccc1OCc1ccc(Cl)cc1	4749523	CYMFJUKGXUEJLD-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
FC(F)(F)c1ccc(N/N=C\c2ccc(N3CCOCC3)cc2)nc1	34878163	YGHGYORICADZHN-JJFYIABZSA-N	350.344	3.383	30	40	FGEB	
N#Cc1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[C@@H](c2ccccc2)C1	256049456	ZZXWLUHVYFYNLM-OAHLLOKOSA-N	360.377	3.041	30	40	FGEB	
O=C(CCSc1ccccc1)NCC#CCOc1ccc2c(c1)OCO2	90730884	CVSFZOFUWGUMPR-UHFFFAOYSA-N	369.442	3.096	30	40	FGEB	
Cc1ccc(CN=c2[nH]c(C#N)c(Cl)s2)c(OC[C@@H]2CCOC2)c1	596165989	WJUDJFVIIIUSJN-GFCCVEGCSA-N	363.870	3.426	30	40	FGEB	
COc1c(C)cc(CNC2CCN(c3ccc(C#N)cn3)CC2)cc1C	67010942	PBDVUONZCXHARG-UHFFFAOYSA-N	350.466	3.337	30	40	FGEB	
CC(=O)c1nn(-c2cccc(Cl)c2)/c(=N/N=C/c2cccc(O)c2)s1	5726506	OQZOONJZHZIRNZ-HCDAPJTOSA-N	372.837	3.430	30	40	FGEB	
COc1c(F)c(F)c(C(=O)/C=C2\Nc3ccccc3OC2=O)c(F)c1F	100072637	GJHMSPRWHVEUBX-VURMDHGXSA-N	367.254	3.349	30	40	FGEB	
C=CCO[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)[C@H]1Cc1ccccc1	1565542743	ZBYIDTUFVAACRB-VQTJNVASSA-N	354.425	3.178	30	40	FGEB	
N#Cc1cccc(C(=O)Nc2cc(Br)ccc2-n2cncn2)c1	51987555	RHLOWUWMFMQICL-UHFFFAOYSA-N	368.194	3.154	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccco1	102503794	UKSLFNDRHPGTHZ-SELCWUDQSA-N	360.369	3.297	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(C)ccc21	100485439	FEKRMAYQDMFJAJ-FQEVSTJZSA-N	350.418	3.284	30	40	FGEB	
COc1ccc(C(=O)CCC(=O)N(C)Cc2cccc(C#N)c2)cc1OC	25102418	DAFDJIABYQOTLW-UHFFFAOYSA-N	366.417	3.197	30	40	FGEB	
C=CCn1c(C)nnc1SCCC(=O)Nc1cccc([N+](=O)[O-])c1C	26369005	NRGIROHBPRYXRE-UHFFFAOYSA-N	361.427	3.110	30	40	FGEB	
Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1	102873302	WZDUHFKPCZLKFH-GHNGSUTGSA-N	371.396	3.411	30	40	FGEB	
C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1	28290201	LBFIZKSTSAHDRB-KRWDZBQOSA-N	360.479	3.243	30	40	FGEB	
N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1	3566004	GZXNMYATYDMTIQ-UHFFFAOYSA-N	357.295	3.410	30	40	FGEB	
CN(Cc1ccccc1Br)C(=O)COc1cccc(C#N)c1	6401760	OEMGCOKYUAXTDC-UHFFFAOYSA-N	359.223	3.358	30	40	FGEB	
CC(=O)Oc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O	409353707	PZMKGOHTFDOBRG-UHFFFAOYSA-N	373.368	3.063	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	8388385	JDSNTQDHWJXTBE-QGZVFWFLSA-N	374.444	3.445	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN[C@H](C)c2ccco2)n(C[C@H]2CCCO2)c1C	8734797	LOWKMSRQKFHSGZ-GDBMZVCRSA-N	370.453	3.038	30	40	FGEB	
N#Cc1c[nH]c(C(=O)NCCc2ccc(Br)cc2Cl)c1	576663908	MVLZKNWNHYRLRQ-UHFFFAOYSA-N	352.619	3.275	30	40	FGEB	
COc1cc(C=Nn2c(S)nnc2C2CCCCC2)ccc1OC(C)=O	245241832	QNLDZPSAJWBOTF-UHFFFAOYSA-N	374.466	3.431	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3nocc3C3CC3)CC2)c(F)c1	1625341309	PBUJOBRZWLQWMN-UHFFFAOYSA-N	354.385	3.418	30	40	FGEB	
Cc1ccc(/C=C/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCCO3)o1	42338642	OYRBEUCCPNMOCL-VMPITWQZSA-N	363.391	3.108	30	40	FGEB	
CN1/C(=C\C(=O)CN2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21	5701625	GHGTZENFQPCMKC-UNOMPAQXSA-N	360.413	3.163	30	40	FGEB	
Cc1ccccc1N1CCN(c2ncc(Br)cc2C#N)CC1	450220361	IFPWEHSDUKIFDC-UHFFFAOYSA-N	357.255	3.351	30	40	FGEB	
C=CCn1c(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nnc1C1CC1	58279434	WJOKYJNQYKRJPE-MRXNPFEDSA-N	371.510	3.170	30	40	FGEB	
N#Cc1ccsc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1	36395769	IHGVACVQYYUROW-UHFFFAOYSA-N	367.474	3.430	30	40	FGEB	
C[C@@]12OC(=N)[C@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccco1)O2	102715427	IDFLOTIBAMZFNZ-QXOCSCLMSA-N	358.357	3.402	30	40	FGEB	
Cc1nc(C2CC2)nc(SCC(=O)NCCc2ccc(F)cc2)c1C#N	12869123	DIBROSHDKBUUOK-UHFFFAOYSA-N	370.453	3.124	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(O)c1	6238895	MWYKLFIPOJMLFS-SFHVURJKSA-N	367.401	3.007	30	40	FGEB	biogenic
Cc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1	4835645	BGNYTGJZOLXFKO-KRWDZBQOSA-N	373.507	3.491	30	40	FGEB	
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C#N)cc1	9377661	UWLYYTJPWJBWLH-UHFFFAOYSA-N	366.808	3.110	30	40	FGEB	
COc1n[nH]c(/N=C(O)/C=C/c2ccc(OCc3cccnc3)cc2)n1	95456649	UXXYULWMNNDBJB-RMKNXTFCSA-N	351.366	3.089	30	40	FGEB	
O=C(/C=C/c1cccnc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	7621182	DUZXZLURYSYHHS-IZZDOVSWSA-N	356.447	3.152	30	40	FGEB	
CC(=O)c1cc(F)c(NS(=O)(=O)c2ccc(C#N)cc2C)c(F)c1	95976427	DKGGUOMNHWPCLD-UHFFFAOYSA-N	350.346	3.148	30	40	FGEB	
CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OC	409066309	BOUZEMYTNPAYLB-GIJQJNRQSA-N	350.762	3.497	30	40	FGEB	
N#Cc1ccc(COCC2CCN(C(=O)c3cc(C4CC4)on3)CC2)cc1	75156592	AEDLRUXUGVQJTN-UHFFFAOYSA-N	365.433	3.493	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2C1=O	9957648	GLMVGDGWPLPZTP-IBGZPJMESA-N	360.413	3.446	30	40	FGEB	
COc1ccc(N2C(=O)C(=O)/C(=C(/C)O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	101152674	KSVIWGMYKBHJGD-ZFOVBUMHSA-N	368.345	3.092	30	40	FGEB	
N#Cc1ccccc1CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1	55880389	BDFIOWVQUSVSGI-UHFFFAOYSA-N	355.825	3.296	30	40	FGEB	
N#CCc1ccc(OCc2cccc(NC(=O)c3csnn3)c2)cc1	58282408	PCKAQBRQXFSBRG-UHFFFAOYSA-N	350.403	3.435	30	40	FGEB	
Cc1ccc(/C=N\Nc2nnnn2-c2cccc3ccccc23)cc1[N+](=O)[O-]	36127438	DPDJVHHMDXDPAE-NDENLUEZSA-N	373.376	3.478	30	40	FGEB	
CCCCOc1ccc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc1OCC	3524760	VHMVBPPREUFUER-FHVRUZERSA-N	372.417	3.492	30	40	FGEB	
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3	6151119	WFSZJEHDSQNBGV-LLVKDONJSA-N	361.492	3.131	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCc2nc(N)nc(Nc3ccccc3)n2)n1	7372668	QYMKOIQMKYSFDW-UHFFFAOYSA-N	363.450	3.373	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cs1	7778376	QOMGZUBLXMMUPG-HNNXBMFYSA-N	371.462	3.092	30	40	FGEB	
CCCCNc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1	7827945	PWEOJYAGWLTUMT-JTQLQIEISA-N	367.525	3.484	30	40	FGEB	
CC(=O)c1cccc(NC(=O)[C@@H](C)O/N=C2/CCOc3ccccc32)c1	95949204	AXOHKSYILVOXMK-FSXJBPCSSA-N	352.390	3.420	30	40	FGEB	
O=C(O)c1ccccc1-c1ccc(/C=N/n2cnc3ccccc3c2=O)o1	409214803	YXXVTBGDWFJCMZ-SSDVNMTOSA-N	359.341	3.237	30	40	FGEB	
Cc1cc(CN2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)no1	67347626	YTCLMBWRNCNPIX-UHFFFAOYSA-N	350.344	3.196	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OCC)c1	409142719	CWNYYJUMCIXZIV-ZQFKZEMUSA-N	368.433	3.015	30	40	FGEB	
C/N=C1\S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1C	408776524	ZZBQUDDYNPKFTD-OHBFYCIKSA-N	370.390	3.314	30	40	FGEB	
C[C@@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1	63234136	XQGDDCMWEQRYNW-SECBINFHSA-N	370.839	3.386	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@H]2C)c1	225859144	SUHWAXCTAFHHTR-MRXNPFEDSA-N	350.466	3.242	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252516489	STTNTPUHXVNITG-IPMKNSEASA-N	359.422	3.230	30	40	FGEB	
CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(C(C)=O)cc1	17916879	WVXPRGOCOIQOCJ-UHFFFAOYSA-N	354.478	3.471	30	40	FGEB	
COc1ccc(CCCOS(=O)(=O)c2ccc(C)cc2)cc1OC	2509765	AWMQQVYGORJJSI-UHFFFAOYSA-N	350.436	3.350	30	40	FGEB	in-vitro
C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	2053773	CQDHWSSQPMGHKR-GIJQJNRQSA-N	364.814	3.492	30	40	FGEB	
Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)s1	2737191	GOLFSXPEUYPLIB-RIYZIHGNSA-N	359.270	3.131	30	40	FGEB	
CC1CCN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)CC1	9498075	BSTRUXBBVLYNMV-UHFFFAOYSA-N	356.495	3.092	30	40	FGEB	
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1	224796893	BUCMLCOWBAJYIP-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
CCN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(=O)(=O)CC	222393478	JRWBGWCHDLECLC-UHFFFAOYSA-N	371.462	3.181	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1OC	5408718	WGMMVCXQMXKIEI-QGZVFWFLSA-N	371.364	3.051	30	40	FGEB	
CCc1ccc2nc(N=C3NCN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	19327119	VCUKEXCNGCUBKI-LIRRHRJNSA-N	366.513	3.477	30	40	FGEB	
C=CCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1	1811043	CJMKVOORYRSKTA-OMJMQIJPSA-N	351.453	3.148	30	40	FGEB	
CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	100975309	RZYJCRFKVFEFSY-ZDBRSUKYSA-N	360.460	3.068	30	40	FGEB	
CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCC#N)c3ccccc32)cc1	2062689	ZAHCKZYCYKHVSN-JOCHJYFZSA-N	362.429	3.360	30	40	FGEB	
Cc1nc(-c2ccccc2)nc(SCC(=O)NCc2ccco2)c1C#N	27789317	FEYKRPWSDMFBID-UHFFFAOYSA-N	364.430	3.325	30	40	FGEB	
COc1ccccc1/C=C/C(O)=N/S(=O)(=O)c1cccc(C(C)=O)c1	48559603	XUQDFEHZGPJTPC-ZHACJKMWSA-N	359.403	3.256	30	40	FGEB	
C[C@H](N)Cc1cc(C#N)c2c(c1)CCN2CCCOC(=O)c1ccccc1	96125884	SPIYQPPDQNLNDT-INIZCTEOSA-N	363.461	3.058	30	40	FGEB	
CC(C)(C)C1CCC(=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	5495979	NZNVRQOLMLSXBJ-UHFFFAOYSA-N	368.459	3.246	30	40	FGEB	
COc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1[N+](=O)[O-]	409044163	OAWFLAATUXQGTJ-UHFFFAOYSA-N	368.389	3.304	30	40	FGEB	
S=C(N/N=C\c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2	35352092	PJYGFKSNBLSRAC-JMIUGGIZSA-N	357.479	3.182	30	40	FGEB	
COCCCCN1C(=O)[C@H](Oc2ccccc2F)[C@H]1c1ccc(C#N)cc1	62581861	OQZPUAXQVPRMQJ-WOJBJXKFSA-N	368.408	3.455	30	40	FGEB	
CN(C)c1ccc(-c2nnc([C@H]3CCN(c4ccc(C#N)cn4)C3)o2)cc1	49171328	JYIWHOZOBZNWPN-INIZCTEOSA-N	360.421	3.063	30	40	FGEB	biogenic,in-vitro
C=CCN(C(=O)CN1C(=O)COc2cc(Cl)ccc21)c1ccccc1	44841703	WDDFXAJAAYQCGH-UHFFFAOYSA-N	356.809	3.285	30	40	FGEB	
CO/N=C/Nc1nc2nccc([C@H](C)Oc3ccc(Cl)cc3C)n2n1	3134419	OZWWQEQUDKBSCF-NSHDSACASA-N	360.805	3.228	30	40	FGEB	in-vitro
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	14831572	GUZWCBLHWDCQEL-ZHACJKMWSA-N	351.362	3.163	30	40	FGEB	
CCCOc1c(Br)cc(/C=N/NC(=S)NCC)cc1OC	3577229	ZDHZOHMFKPBQMU-RQZCQDPDSA-N	374.304	3.064	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(F)c1	804965	BTLKMOIHPXGRAL-UHFFFAOYSA-N	357.410	3.379	30	40	FGEB	
N#Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCCCC2	2742932	LTYBBYHAWZOOHE-UHFFFAOYSA-N	359.411	3.022	30	40	FGEB	
Cn1ccnc1CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1	57991258	OMYBYJPLZSWNHS-UHFFFAOYSA-N	373.441	3.283	30	40	FGEB	
N#Cc1c(NC(=O)Cn2ccc(=O)c3ccccc32)sc2c1CCCC2	84585490	IBBSDVLFHWOOJZ-UHFFFAOYSA-N	363.442	3.452	30	40	FGEB	
COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	13572247	VVYPTDREVNMQJT-LICLKQGHSA-N	354.381	3.193	30	40	FGEB	
N#Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1	409343266	DGZQCYJBWJEEPF-MDWZMJQESA-N	371.468	3.166	30	40	FGEB	
O/C(=N/C[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1	329975738	DTNQWJMHGMDZAU-RBUKOAKNSA-N	367.497	3.025	30	40	FGEB	
Cc1noc(C)c1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1	85474094	JBLMMDSTQVIQDW-UHFFFAOYSA-N	352.312	3.122	30	40	FGEB	
O=C1c2ccc(-c3ccc(C=Nn4cnnc4)o3)cc2C(=O)[C@H]2C=CC=C[C@H]12	254415201	SFJMNAXVASQKLI-HOTGVXAUSA-N	370.368	3.158	30	40	FGEB	
N#C[C@H]1CN(C(=O)CC2CCC(F)(F)CC2)CCN1Cc1ccccc1	599501040	HPJLAPIILUQWFR-SFHVURJKSA-N	361.436	3.439	30	40	FGEB	
C=CCN(C[C@@H](O)c1ccc(O)c(C(N)=O)c1)[C@H](C)CCc1ccccc1	22589411	RGMDPZQWHAFCIO-IIBYNOLFSA-N	368.477	3.034	30	40	FGEB	
C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1	6415506	OXCSQZALECFCQW-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([C@H](O)c2ccccc2)CC1	24763631	WFGIUVVFRSIWBR-IIBYNOLFSA-N	363.461	3.331	30	40	FGEB	
COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1O	1914477	YVKKMBZBDHBSRX-KEBDBYFISA-N	354.435	3.475	30	40	FGEB	
C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O	58215505	BRONBASKSCBESN-NRFANRHFSA-N	372.384	3.180	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccccc4F)c(C)nc3c2c1	2231188	UOBUVVRBKNAQIR-UFFVCSGVSA-N	350.353	3.216	30	40	FGEB	
N#Cc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1	3351210	WDLKEOYFIFMYNT-UHFFFAOYSA-N	355.482	3.242	30	40	FGEB	
CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)N(C)C1=S	6638212	BXGGLZZTBIMXDG-BOPFTXTBSA-N	363.442	3.167	30	40	FGEB	
CNC(=S)N[C@@H](/N=C(/OC)c1ccc(C)cc1)C(Cl)(Cl)Cl	18144962	ABWLGLRTOITLDW-VDCVXVNISA-N	368.717	3.178	30	40	FGEB	
C=C(C)COc1ccc2c(C)c(CC(=O)N3COCC3(C)C)c(=O)oc2c1	8765324	CHLMZFCREVDLKR-UHFFFAOYSA-N	371.433	3.194	30	40	FGEB	biogenic
O=C(O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl	408846962	OJKTZBSJGDSGMC-CIAFOILYSA-N	374.824	3.391	30	40	FGEB	
COc1cc(N2CCCCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cn1	409240639	USHUXBBATPBINI-UDWIEESQSA-N	355.398	3.435	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C	331503594	HRMBRRNGHNBCIO-LJQANCHMSA-N	368.458	3.144	30	40	FGEB	
C/C(=N\OCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc2c(c1)OCO2	585146026	QMXSRKJTBKZQKS-LPEHFSRQSA-N	372.465	3.487	30	40	FGEB	
N#Cc1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[C@@H](c2ccccc2)C1	256045619	ADAMSZLYYKGONF-OAHLLOKOSA-N	360.377	3.041	30	40	FGEB	
N#Cc1cccnc1N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2	1776009818	SCGJSEXSBGUNMZ-KBPBESRZSA-N	358.243	3.285	30	40	FGEB	
N#Cc1cccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1	12926030	CXOWPJPJHFMQME-UHFFFAOYSA-N	352.365	3.155	30	40	FGEB	
O=C1N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)c2ccc(Cl)cc2)=C1O	9244180	PSBHZAFMQPLDMI-AWEZNQCLSA-N	358.737	3.114	30	40	FGEB	
COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	865336	GQEBOFUZBFTKKM-UDWIEESQSA-N	366.377	3.152	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)nc1	23074881	BGKWNOHSLBBBEP-UHFFFAOYSA-N	372.375	3.410	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC)c2C)c1C	6711496	ZENJXRBVWGTLHD-SRZZPIQSSA-N	372.494	3.007	30	40	FGEB	
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OCCCO2	24860234	CIKNTOOQBNJLCV-UHFFFAOYSA-N	368.437	3.146	30	40	FGEB	
CCOC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	27242733	PLJAFLNMFANCSY-UHFFFAOYSA-N	358.781	3.406	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(CN2CCCCC2)cs1	13016399	HYYCMBCANOJZAF-CQSZACIVSA-N	370.478	3.407	30	40	FGEB	
COc1ccc(Cl)cc1CN(C)C[C@@H](O)COc1ccc(C#N)cc1	14200928	WYPDJCCMTZNWKH-QGZVFWFLSA-N	360.841	3.092	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC	409096592	KMJGJWCSTBMSMP-VXLYETTFSA-N	360.757	3.110	30	40	FGEB	
COc1ccccc1-c1nnc(SCC(=O)c2ccc(C#N)cc2)n1C	8882255	FQHIMZYVJSBIFG-UHFFFAOYSA-N	364.430	3.337	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	218391474	BKQLFPNIVKCSPT-BZSNNMDCSA-N	361.850	3.436	30	40	FGEB	
N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	218441661	GTCSQDMZECGCNI-JKSUJKDBSA-N	360.797	3.452	30	40	FGEB	
CC1(C)SC(=Nc2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	257173653	UIOLWSPKFBPVRI-UHFFFAOYSA-N	360.460	3.417	30	40	FGEB	
C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cc2)C[C@@H](C)O1	12907789	RHBDGOUVUOMYNA-GASCZTMLSA-N	363.417	3.060	30	40	FGEB	
N#CCCSc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1	4325534	IKOKIJMYTXKGGD-UHFFFAOYSA-N	374.487	3.495	30	40	FGEB	
Cc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12	2086867276	CXGHWBWEFRTLKA-IYBDPMFKSA-N	361.474	3.444	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccnc2)no1	102879306	QLRSUHJYICBVRD-DPEHCCBOSA-N	367.386	3.066	30	40	FGEB	
O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1	102802340	ILOCMCDTNSLWQE-DPGTYXLWSA-N	363.413	3.287	30	40	FGEB	
N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-]	3449330	RFYHZARVLSFIMU-UHFFFAOYSA-N	371.374	3.006	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	7008389	IVODAPHARHHBAI-CAOOACKPSA-N	352.803	3.326	30	40	FGEB	
C/C(=N\NC(=S)Nc1ccccc1C)[C@H]1Cc2ccccc2C(=O)O1	13477949	VLWNAJYYDLWJMT-VYVDHXHBSA-N	353.447	3.439	30	40	FGEB	
CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1O	408930844	CTKDOFSPJBODDZ-DEDYPNTBSA-N	371.393	3.286	30	40	FGEB	
COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC	7266209	VZWJCPAPEWTZAK-CQSZACIVSA-N	353.422	3.034	30	40	FGEB	
N#CCC[C@H](C#N)CSc1nnc(-c2ccncc2)n1CC(F)(F)F	68352853	NEAJDCWUIHBQGT-LLVKDONJSA-N	366.372	3.438	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	218485451	VPNHDICAGDPECL-KURKYZTESA-N	359.834	3.297	30	40	FGEB	
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC(C)(C)[C@@H]1c1cccnc1	601420023	PVQWHQDZZGVXTE-KRWDZBQOSA-N	359.426	3.173	30	40	FGEB	
N#CCC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1	596682317	YOPUSHNBRHGSTH-UHFFFAOYSA-N	353.451	3.083	30	40	FGEB	
O=c1[nH]nc(O)c2cccc(/N=C/c3cc(Cl)cc(Cl)c3O)c12	705233	NVVGACJMLPPTKE-NGYBGAFCSA-N	350.161	3.392	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C#N)N2C=Cc4ccccc4[C@@H]32)cc1C	20502089	SBYZGZPMKFVJRF-ANULTFPQSA-N	369.424	3.342	30	40	FGEB	
CN1/C(=C\C(=O)COc2ccc(C(N)=O)cc2)C(C)(C)c2ccccc21	32736595	GROSDSSSKJUBIA-UNOMPAQXSA-N	350.418	3.045	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCc2cc(C#N)ccc2F)nc1O	32865423	SGYDZFVZKIWJFZ-UHFFFAOYSA-N	357.366	3.139	30	40	FGEB	
O=[N+]([O-])c1cc(/C=N/NCc2ccc(Cl)cc2)ccc1N1CCOCC1	10118968	MGLDRCSSXVOWDW-FYJGNVAPSA-N	374.828	3.209	30	40	FGEB	
CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1	10514831	QZGCJOSDLBIEBI-UHFFFAOYSA-N	364.810	3.189	30	40	FGEB	
N#Cc1cc(COC(=O)c2cnn(Cc3ccccc3Cl)c2)ccn1	72314153	YODZUEXAEFXZFA-UHFFFAOYSA-N	352.781	3.208	30	40	FGEB	
CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O	5825967	NBUBGCUAHBOJRU-YVLHZVERSA-N	352.342	3.405	30	40	FGEB	biogenic
O=C1CCCC2=C1[C@H](c1ccc(O)c(O)c1)c1cc3c(cc1N2)OCO3	18196762	XPBYNFTZZKTOHP-LJQANCHMSA-N	351.358	3.391	30	40	FGEB	
C/C(=N\Nc1nc(SCC#N)n[nH]1)c1ccc(Br)cc1	20608321	ZBDYXLMTNDLGNB-LZYBPNLTSA-N	351.233	3.019	30	40	FGEB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	216774621	IUZDIXZEONDXCM-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1	225872051	WQGWZJVWFOQHJE-UHFFFAOYSA-N	371.488	3.312	30	40	FGEB	
Oc1nc(N/N=C/c2ccc(Br)cc2)nnc1-c1ccccc1	4158755	OLCPNOMOUQRVCU-VCHYOVAHSA-N	370.210	3.453	30	40	FGEB	
COc1c(/C=C2/S/C(=N\c3ccccc3)NC2=O)cccc1[N+](=O)[O-]	13476977	VJOMEFJYOKJZJF-GXDHUFHOSA-N	355.375	3.495	30	40	FGEB	
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	6386264	ODONHYPCFMQXGQ-VCHYOVAHSA-N	372.406	3.274	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)NCc2ccnc(N(C)C)c2)cc1OC	40087651	BQFRKUUXYLTNIV-VQHVLOKHSA-N	367.449	3.051	30	40	FGEB	
N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1	41493514	JQYGOVFHRLNIMX-IUODEOHRSA-N	373.334	3.330	30	40	FGEB	
N#CCOc1ccccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	59135661	MMAWYVDZBMGMIT-RVDMUPIBSA-N	365.320	3.235	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnc(Cl)c(Cl)c2)n1	6606019	DVISDRYPLGNDMU-SECBINFHSA-N	370.217	3.187	30	40	FGEB	
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/C=C/c2ccco2)S1	409080595	LUUZNKXFRASBAH-NSCBVSHOSA-N	361.419	3.184	30	40	FGEB	
N#Cc1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(Cl)c1	7857387	GANFFHMQMVRWPM-GOSISDBHSA-N	356.809	3.191	30	40	FGEB	
C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(N2CCOCC2)c(F)c1	7890498	NOQNXKZFMZCBAU-FYJGNVAPSA-N	357.385	3.197	30	40	FGEB	
CCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O	18276892	HGIPHNLSZFNLCP-INIZCTEOSA-N	369.446	3.333	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1Cl	8884501	WXKJXFQMVHQHQD-UHFFFAOYSA-N	357.841	3.108	30	40	FGEB	
COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cccc(C#N)c2)cc1	583616147	QNKWOLAFQPVFAY-CTNGQTDRSA-N	350.418	3.079	30	40	FGEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(Br)c1	5020330	IMGKHOVSHOGOMN-UHFFFAOYSA-N	369.222	3.042	30	40	FGEB	
CC(=O)c1cc(C#N)c(S[C@@H](C)c2nnnn2-c2ccccc2)nc1C	40089666	SWJXKVFJESCMTJ-ZDUSSCGKSA-N	364.434	3.293	30	40	FGEB	
N#C[C@H](C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1	41493517	JQYGOVFHRLNIMX-WFASDCNBSA-N	373.334	3.330	30	40	FGEB	
Cc1ccnc2nc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)nn12	3252491	VHKPYHQWIKECQX-UHFFFAOYSA-N	355.357	3.191	30	40	FGEB	
N#Cc1cccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1	12542379	CJBGONRDMNMUHN-UHFFFAOYSA-N	359.476	3.030	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C/C3=CC[C@H]4C[C@H]3C4(C)C)C2=O)cc1	101377264	WLTAYVJOTRVOHA-FVXOKNFJSA-N	367.449	3.440	30	40	FGEB	
CCOc1ccc2ccccc2c1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409404503	DKMSCVCZHILAAK-HZVDNRATSA-N	360.413	3.380	30	40	FGEB	
CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1OC(=O)c1ccco1	4573206	ZIGVWNVPNJRUPW-UHFFFAOYSA-N	362.348	3.052	30	40	FGEB	
C=CCn1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c2ccccc21	4608025	GEYFJCCZUVRBIS-OQLLNIDSSA-N	356.403	3.037	30	40	FGEB	
C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccccc1C#N	7903662	GZTCUKCBOBVZJR-LLVKDONJSA-N	353.451	3.481	30	40	FGEB	
O=C1CSC(=S)N1/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O	409384155	BOFHCWXKBYFFST-HQYXKAPLSA-N	373.242	3.294	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CN1CCC=C(c2cccnc2)C1	567147378	JWLVFLDKYOHHRX-UHFFFAOYSA-N	352.825	3.334	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC(C)CC2)c1	225858333	XCKXNWJPVQEFSZ-UHFFFAOYSA-N	350.466	3.100	30	40	FGEB	
N#Cc1cnn(-c2ccccc2NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1N	597636470	IEPMQIGGUWUDRV-CRAIPNDOSA-N	371.391	3.480	30	40	FGEB	
COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O	205820480	YWNXOABAXDBTJT-OVCLIPMQSA-N	368.370	3.028	30	40	FGEB	
C/C(=N/NC(=S)Nc1cccc(C)c1)C1C(=O)c2ccccc2C1=O	100004849	NOWFCFBZKQVWKM-MTJSOVHGSA-N	351.431	3.353	30	40	FGEB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C1\C=C(C)CC1	33042614	NTAILEQNSQNFOO-LGMDPLHJSA-N	366.443	3.133	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1	8293153	QNMJWTJVVDHJKZ-UHFFFAOYSA-N	373.474	3.068	30	40	FGEB	
C=CCNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1	25391826	GRSRKRATIDTCHE-HXUWFJFHSA-N	372.490	3.015	30	40	FGEB	
N#CC1(NC(=O)CSc2ncn(-c3ccccc3)n2)CCCCCC1	12821187	LDXXVHJSQTTWNM-UHFFFAOYSA-N	355.467	3.092	30	40	FGEB	
Fc1cccc(Cl)c1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2	5626202	YDNNYOPQYRWQJZ-CNHKJKLMSA-N	362.821	3.120	30	40	FGEB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)NC)o2)cc1	5707718	ZBLDWKSNIIJTQG-UDWIEESQSA-N	359.451	3.331	30	40	FGEB	
C=CCOc1ccc(/C=N/n2c(C)nnc2S)cc1Br	408855868	GDHBTANINQIBLE-OVCLIPMQSA-N	353.245	3.085	30	40	FGEB	
N#CCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3	5878353	HPTKLHQJQQCMLJ-NSHDSACASA-N	361.492	3.131	30	40	FGEB	
CC(=O)/C(=N/Nc1cccc(C)c1)Sc1nnnn1-c1ccc(C)cc1	100752430	OTWOVDYYMBSUSZ-JZJYNLBNSA-N	366.450	3.386	30	40	FGEB	
CCCC(=O)C1=C(Nc2ccc(N)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O	101874064	VEJMNTJXVQQHBH-QGZVFWFLSA-N	358.438	3.092	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCCC2	10530341	HZQFNJNNUQGLNM-UHFFFAOYSA-N	370.430	3.390	30	40	FGEB	
C=CCn1cnnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21	6589297	AMHASZOBCKPYTA-ZDUSSCGKSA-N	360.508	3.474	30	40	FGEB	
C[C@H]1CCc2sc(-c3nnc(SCC(=O)NCCC#N)o3)cc2C1	4937597	YNZWKNCBRZPGSG-JTQLQIEISA-N	362.480	3.045	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1cc2ccccc2oc1=O	8084734	UYEMMRKEYQPQGC-XSFVSMFZSA-N	370.430	3.112	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C\c2c[nH]nc2-c2ccc(Cl)cc2)cc1	32575546	RAIASUOWJIEHJH-JAIQZWGSSA-N	374.853	3.351	30	40	FGEB	
C#Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1	47399926	NXRBJRNEWJBEAB-UHFFFAOYSA-N	365.408	3.105	30	40	FGEB	
CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(OCC)c1	1055356	YVBQUWQYCXHWIS-CPNJWEJPSA-N	362.451	3.105	30	40	FGEB	
O=C(COc1ccc(/C=N\O)cc1Br)Nc1ccc(F)cc1	108325896	HFTKOVNKZGECQB-LSCVHKIXSA-N	367.174	3.414	30	40	FGEB	
C=CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccccc1	101219104	HINYVMWKBRTGCT-VRTBNJGNSA-N	372.471	3.234	30	40	FGEB	
O=C(O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1	4871811	YBPTXUXIDZGPEX-JVMRMLDLSA-N	354.431	3.336	30	40	FGEB	
O=C(O)COc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1	4954224	DQJDEWBLXZKSGG-XNTDXEJSSA-N	354.387	3.042	30	40	FGEB	
N#Cc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)cc1	5938967	DZZWBLINQGOLEM-OAQYLSRUSA-N	350.462	3.253	30	40	FGEB	
CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(O)c(O)c2)S1	35644351	QRDVGAUABPLWJU-MHWRWJLKSA-N	356.403	3.388	30	40	FGEB	
C/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N1C	32192949	KHCOQSJRYBUSAD-PPVAIKJXSA-N	356.403	3.265	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	218364912	DVSCMVJEOFTSTM-KURKYZTESA-N	361.850	3.090	30	40	FGEB	
CCOc1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1C	570466171	KDLXMGPZJQGXEN-UHFFFAOYSA-N	365.437	3.015	30	40	FGEB	
CN(C)Cc1ccc(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)cc1	1776007680	TVYSTYSMSHCEKJ-KRWDZBQOSA-N	358.291	3.057	30	40	FGEB	
C=CCn1c(SCCC(=O)O)nc2sc3c(c2c1=O)CCCC3	5377536	NLOOUSGZQAHGTH-UHFFFAOYSA-N	350.465	3.090	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1	5214551	NKPNQUGCYMLOHH-YBEGLDIGSA-N	356.403	3.301	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	794989	SZWWBNLWNZJLQP-QAPCUYQASA-N	367.401	3.345	30	40	FGEB	
COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1	2766977	IOIUVYPKYYZLFL-UHFFFAOYSA-N	361.195	3.347	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2cc(OC)cc(OC)c2)c(C#N)c1C	1965160	DBTBWHAWUUWAFB-UHFFFAOYSA-N	374.418	3.374	30	40	FGEB	biogenic,in-vitro
C=CCN1C(=O)N[C@@H](c2cccs2)C(C(=O)Nc2cc(C)on2)=C1C	10354334	ALHYIGNBVGZYGC-HNNXBMFYSA-N	358.423	3.210	30	40	FGEB	
Cc1cc(N[C@H](C)C(=O)Nc2cccc(C#N)c2)ccc1N1CCCC1=O	10746037	CPBXNMXZAGETDG-OAHLLOKOSA-N	362.433	3.433	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C)cc1	2487281	UGGHADDEDAMHSL-BBRMVZONSA-N	356.447	3.373	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c(F)c1	20528891	ZWQBCYPPNUWMKL-UHFFFAOYSA-N	364.365	3.116	30	40	FGEB	
COc1ccc(/C=N\Nc2cnnc(O)c2Cl)cc1Br	31783717	CMOXDAFNRZOFKV-WCSRMQSCSA-N	357.595	3.053	30	40	FGEB	
Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	77479784	ATLHCVNZWPOXOE-SNVBAGLBSA-N	363.215	3.159	30	40	FGEB	
N/C(=N\CCc1c[nH]c2ccc(Cl)cc12)Nc1ncccc1[N+](=O)[O-]	225242043	GRBKWNADKGUUMR-UHFFFAOYSA-N	358.789	3.094	30	40	FGEB	
C#CCCCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)C(F)=C2CCCC2)C1	1775992837	WASMGRKMYVNZBI-QZTJIDSGSA-N	360.473	3.427	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C/c2cc(Br)ccc2O)cc1	13122036	UQIFDGMMZHNEBU-CXUHLZMHSA-N	354.225	3.271	30	40	FGEB	
C=CCOc1ccc(C(=O)N2CCC[C@]3(CCN3C(=O)C(C)C)C2)cc1	1614936512	ZVKFOTDZXTZUSW-NRFANRHFSA-N	356.466	3.115	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1	40488328	SJYJXEJOCIIYIL-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
CCOC(=O)c1c(/N=C/c2cccc(OC)c2O)sc2c1CCN(C)C2	830474	YTQYZOFRWGXHTQ-KEBDBYFISA-N	374.462	3.378	30	40	FGEB	
Cc1cc(=O)nc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)[nH]1	12511582	ZOOONLBCMHMUGR-YBEGLDIGSA-N	355.463	3.051	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C#N)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1C	9357335	SBYZGZPMKFVJRF-PLACYPQZSA-N	369.424	3.342	30	40	FGEB	
CCCCN/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1	2482512	HISZPWWZUGFOKW-LDADJPATSA-N	365.480	3.491	30	40	FGEB	
CCOc1cc(/C=N/O)cc(Cl)c1OS(=O)(=O)c1ccccc1	409068554	TVUFIULEWMUNSM-LICLKQGHSA-N	355.799	3.315	30	40	FGEB	
C=CCN(C(=O)CSc1nnnn1-c1cccc(F)c1)c1ccccc1	14116136	IUZDZURLDTXDRI-UHFFFAOYSA-N	369.425	3.113	30	40	FGEB	
N#CCCn1cc(C(=O)Cn2nnc(-c3cccs3)n2)c2ccccc21	6986510	MVHUWMNIFKJHFO-UHFFFAOYSA-N	362.418	3.153	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1	5981187	SKFFJGWGTXIGEQ-UHFFFAOYSA-N	354.309	3.434	30	40	FGEB	
N#Cc1c(-c2cc3c(cc2Br)OCO3)c2c([nH]c1=N)CCCC2	408980531	RTJKYVXIZAPIQR-UHFFFAOYSA-N	372.222	3.403	30	40	FGEB	
C#CCOc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1OC	40288412	YHDNSQHGPHOHJP-INIZCTEOSA-N	374.400	3.412	30	40	FGEB	
C=CCN1CCN(CC2CC2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O	257207444	BHTWYTATXGTZBZ-QFIPXVFZSA-N	361.489	3.400	30	40	FGEB	
CC1=NOC(=O)/C1=C\c1cc(Br)c(O)c(Br)c1	17167083	CKSUGNREHXKPLJ-UQCOIBPSSA-N	360.989	3.233	30	40	FGEB	
N#Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1	12760667	UYAFSGGULQFZDI-UHFFFAOYSA-N	358.401	3.247	30	40	FGEB	
CCN(c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1)C(C)C	60563573	GQCQOPDWTXKRTJ-UHFFFAOYSA-N	351.454	3.263	30	40	FGEB	
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2cccs2)C1=O	3579779	OWHQQLZFVPYDSF-LEKRSAHOSA-N	365.361	3.151	30	40	FGEB	
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1)c1ccccc1	4040964	IWWRYGCARTYIKP-IBGZPJMESA-N	371.396	3.255	30	40	FGEB	
O=C1Nc2ccc(Br)cc2/C1=N\Nc1ncnc2ccccc12	4387681	PJDUINSTZWUMRM-UHFFFAOYSA-N	368.194	3.161	30	40	FGEB	
CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccco1	4516348	PSZIZXMEGZCWDS-UHFFFAOYSA-N	353.407	3.160	30	40	FGEB	
COc1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1	4719560	YZKFCMPMISHZDV-SYERDGIWSA-N	353.447	3.168	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	5721392	MEBUZILXXZMCFY-MOPGFXCFSA-N	373.372	3.381	30	40	FGEB	
CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(OC)cc1)O2	5902128	GTRWMWKCKQQGHI-JJYIYXIDSA-N	350.378	3.060	30	40	FGEB	
C=CCN1c2ccc(C(=O)NCCC)cc2-c2ccccc2S1(=O)=O	33271937	RKQVDSKKESCHEO-UHFFFAOYSA-N	356.447	3.188	30	40	FGEB	
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	225073805	KHUQMDWJZCQHLX-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccs1	225133952	RSQQCONYSXJJAN-UHFFFAOYSA-N	351.449	3.224	30	40	FGEB	
N#C[C@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCSC1	586762952	YWCOBZWFSRIYOU-OAHLLOKOSA-N	366.368	3.020	30	40	FGEB	
C=CCN(CC=C)C(=O)COC(=O)c1cc(C)n(CC(F)(F)F)c1C	70038347	PCGSOGTWXSKSBC-UHFFFAOYSA-N	358.360	3.025	30	40	FGEB	
CC(C)N1CC[C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1	58210790	RTQJFPWRXMEOQV-INIZCTEOSA-N	367.449	3.190	30	40	FGEB	
CCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1	5961702	HFGJUYMFGGWJMS-KOMLCTQHSA-N	367.474	3.422	30	40	FGEB	
C#CCCOC(=O)N1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1	19117014	SUTCBEJKZIKVBI-LBPRGKRZSA-N	366.343	3.006	30	40	FGEB	
N#Cc1cc(Br)cnc1N1CCC[C@@H](COc2ccncc2)C1	1889108492	VNCNAOBRTXEWHA-CYBMUJFWSA-N	373.254	3.406	30	40	FGEB	
CC(=O)Nc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1	804927	NTUSZHSPEMQYHY-UHFFFAOYSA-N	362.389	3.017	30	40	FGEB	
COc1cc(OC)cc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1	12321430	KCRFQIGRROWODG-INIZCTEOSA-N	370.409	3.309	30	40	FGEB	
Cc1cc(C)c(C#N)c(Sc2ncnc3c2nnn3Cc2ccccc2)n1	1035495	SPAGBNWGOKCXAI-UHFFFAOYSA-N	373.445	3.304	30	40	FGEB	
N#CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	58172061	PZGNAWOLURTMJX-QFIPXVFZSA-N	357.413	3.432	30	40	FGEB	
C=CCN(C(=O)c1oc2ccc(Cl)cc2c1C)[C@@H]1CCS(=O)(=O)C1	58264856	GERWOFQMRSITEE-CYBMUJFWSA-N	367.854	3.210	30	40	FGEB	
C[C@](C#N)(NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1	58307149	WLBKWTZQBDCGAC-OAQYLSRUSA-N	369.415	3.452	30	40	FGEB	
CCCCOc1ccc(C(=O)NCC(=O)OCc2ccc(C#N)cc2)cc1	23524011	BUPKSRRKBOPIFC-UHFFFAOYSA-N	366.417	3.210	30	40	FGEB	
O=c1nc(N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cn[nH]1	4749643	NWUIBLFPTDSONZ-WSDLNYQXSA-N	371.400	3.343	30	40	FGEB	
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(O)cc1	9704030	LQJDFAOTXGUFSU-CQSZACIVSA-N	369.446	3.152	30	40	FGEB	
N#CC1(NC(=O)CN2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CCCC1	75107796	YCPJHXYMDISINB-WOJBJXKFSA-N	369.509	3.307	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(C(N)=O)cnn1[C@@H]2c1cccc(Cl)c1	40286230	MPODJJLWBAQXPE-MRXNPFEDSA-N	370.840	3.294	30	40	FGEB	
C=CCN(c1ccccc1OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224999504	UUNVJEILQMCOCM-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C	6026496	IEIFYSWGOPHPOT-SRZZPIQSSA-N	372.494	3.007	30	40	FGEB	
CCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1	6398318	DYQXUNAETUVFJG-NSHDSACASA-N	360.266	3.320	30	40	FGEB	
CC/N=C1\S/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C(=O)N1CC	59104738	UFWOSGIYUKGSNB-YGROJOGNSA-N	365.411	3.011	30	40	FGEB	
C=CCNC(=S)N/N=C/c1cc(Cl)c(OCC=C)c(OCC)c1	2123599	ODVLTIZEGOQHNM-YBFXNURJSA-N	353.875	3.288	30	40	FGEB	
CC(C)[C@@H](C#N)OC(=O)c1nn(-c2ccccc2F)cc1Br	72280421	GBGAEDXMDBBZKA-CYBMUJFWSA-N	366.190	3.479	30	40	FGEB	
C=CCn1c(SCC(=O)O)nnc1-c1ccc(Br)cc1	28051340	KGNZHGAWBFDGQZ-UHFFFAOYSA-N	354.229	3.070	30	40	FGEB	
COc1cc(/C=N/n2c(S)nnc2C(F)(F)F)ccc1OC(C)C	5444178	WVJKVLQNPKXYAY-CNHKJKLMSA-N	360.361	3.264	30	40	FGEB	
CC(C)=CCC/C(C)=C/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	4925552	SGJPBUFYEMXKPQ-BUHHDHKDSA-N	366.443	3.333	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)c2scnc2C2CC2)c(C)c1C	89971414	XDQBGEYAHDXNGF-UHFFFAOYSA-N	366.464	3.339	30	40	FGEB	
Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1	39935267	VCTFZGJDFRMFLW-UHFFFAOYSA-N	362.477	3.013	30	40	FGEB	
C#CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	73640241	BQDSVRVSPWSDLN-UHFFFAOYSA-N	350.124	3.407	30	40	FGEB	
N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21	16034256	DHEJAQLOPUNKRK-CEXWTWQISA-N	374.831	3.352	30	40	FGEB	
O=C1N/C(=N\N=C/c2ccco2)S[C@H]1Cc1cccc(C(F)(F)F)c1	19855610	IDKIWPXVDZEQTI-CCSWUNFSSA-N	367.352	3.463	30	40	FGEB	
COCC/N=C1/NCCCCCOc2ccccc2Oc2ncccc21	643571698	PRLOTOCDTWTEBX-UHFFFAOYSA-N	355.438	3.419	30	40	FGEB	
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@H]3O)cc1	4775919	SMSNOVVIVRBCOU-XRXFAXGQSA-N	370.401	3.278	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3ccccc3)o2)n1	7829839	CLNLRXFMPDAQAB-ZDUSSCGKSA-N	370.459	3.394	30	40	FGEB	
C=C(C)COc1ccc2c(C)c(CCC(=O)NCCCOC)c(=O)oc2c1	62001371	CIMMCSQYHLGNGB-UHFFFAOYSA-N	373.449	3.142	30	40	FGEB	biogenic
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)SCc2ccccc2)c1	57986643	SMGRNOUIKYSFJJ-OAHLLOKOSA-N	352.459	3.045	30	40	FGEB	
C=CCN(CC=C)C(=S)NC(=O)c1ccc(C)c(Br)c1	2136594	NDWDLUKARRMASE-UHFFFAOYSA-N	353.285	3.446	30	40	FGEB	
C[C@@H](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(C#N)cc1	4681945	FJFLWHMPDSGWOT-AWEZNQCLSA-N	353.397	3.369	30	40	FGEB	
CCc1cc(C)cc(OCCOc2ccccc2/C=N/NC(N)=S)c1	4602827	TYBFBCUGNVPHIF-FYJGNVAPSA-N	357.479	3.182	30	40	FGEB	
CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	4899123	ZYGORYRCFLYRPZ-HUUCEWRRSA-N	352.438	3.425	30	40	FGEB	
CCc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C#N)nn2)cc1	216768913	WNWDYIGGQJUREG-OAQYLSRUSA-N	359.433	3.296	30	40	FGEB	
C[C@H]1CCCN(C(=O)Cn2c(C#N)cc(N)c2Cc2ccc(Cl)cc2)C1	225858797	CMVZWFHUCHOFIS-AWEZNQCLSA-N	370.884	3.445	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1O)c1ccco1	96336112	QAKTVXQWIRYDJP-CQSZACIVSA-N	368.370	3.225	30	40	FGEB	
CCCCCc1nnc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)s1	20005953	OTBJVZDSXIJLTQ-UHFFFAOYSA-N	373.482	3.019	30	40	FGEB	
C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O	4908770	HNRVMRIRNAGTFB-MDKPJZGXSA-N	370.449	3.023	30	40	FGEB	
COC(=O)[C@H]1C(=O)/C(=C\Nc2ccc3ccccc3c2)C(=O)CC1(C)C	102400810	JNXSNLXECRWCBP-XSVZSIDJSA-N	351.402	3.493	30	40	FGEB	
CC(C)CCN(CCC(C)C)C(=O)COC(=O)COc1ccc(C#N)cc1	6049120	BJCNKJMDOPJARK-UHFFFAOYSA-N	374.481	3.401	30	40	FGEB	
Cc1sc2ncnc(N/N=C/c3ccc(N(C)CCO)cc3)c2c1C	5166306	QWBUOTUNEFWTQD-UFFVCSGVSA-N	355.467	3.183	30	40	FGEB	
CC(C)COc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1	4332866	AWNDRNHHARDWEC-UHFFFAOYSA-N	352.390	3.389	30	40	FGEB	
C#CCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc21	4784646	NMYUZJRTFPJWHD-XCLFUZPHSA-N	353.805	3.026	30	40	FGEB	
C=CCN(c1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O	223923823	CNYXHRVCKATWDY-MRXNPFEDSA-N	372.490	3.172	30	40	FGEB	
CCCCOC1(NS(=O)(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C	16807607	WLQMAFFYFARXBG-UHFFFAOYSA-N	363.479	3.262	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CC[C@H](Oc3ccncc3Br)C2)n1	1889103094	GWSPCPMUBYXDJI-ZDUSSCGKSA-N	373.254	3.385	30	40	FGEB	
CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1	32899295	GJKJQGYNOJHJDE-ZDUSSCGKSA-N	369.446	3.274	30	40	FGEB	
COc1cc(C(=S)N2CCOCC2)ccc1OCc1ccccc1C#N	6381113	WTVAFYFGKMTBBI-UHFFFAOYSA-N	368.458	3.154	30	40	FGEB	
NC(=S)N/N=C/c1c(-c2ccccc2)nc2sc3c(n12)CCCC3	12523862	CLWPKPXAUTVJBA-VXLYETTFSA-N	355.492	3.109	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1cccs1	22131799	SXNJDDCGNPAJEU-INIZCTEOSA-N	355.463	3.221	30	40	FGEB	
CCOc1cc(C=O)c(Br)c(Br)c1OCC#N	2775823	RTQSDQRIYOAZDK-UHFFFAOYSA-N	363.005	3.325	30	40	FGEB	
COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N	9157464	PNPVTTWTUICFCD-LBPRGKRZSA-N	354.366	3.223	30	40	FGEB	
CCCN(CC(=O)Nc1sccc1C#N)Cc1nnc(-c2ccco2)o1	8243507	DVPJTECZONSDQE-UHFFFAOYSA-N	371.422	3.113	30	40	FGEB	
Nc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	18200614	WDGVBJJTONSETJ-DIFFPNOSSA-N	365.368	3.008	30	40	FGEB	
C=CCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC	408705939	QRERGGMVNROTQQ-UHFFFAOYSA-N	350.462	3.382	30	40	FGEB	
Cc1cccc2c1OC[C@H](/N=C(/O)N1C[C@@H](C#N)[C@H](c3ccccc3)C1)C2	330223346	SGVBMZUUABLGAN-AQNXPRMDSA-N	361.445	3.452	30	40	FGEB	
COc1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1F	57754119	YRPPBSSVFKNDIW-UHFFFAOYSA-N	368.412	3.056	30	40	FGEB	
C[C@H](Sc1nc2cc(Cl)c[nH]c-2n1)C(=O)NC1(C#N)CCCCC1	5310151	RSEAPPNRTFLBBD-JTQLQIEISA-N	363.874	3.386	30	40	FGEB	
COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1	6248153	KOARREXLUDCFAF-GDNBJRDFSA-N	355.375	3.495	30	40	FGEB	
COCCNc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-]	226362766	GRFRJNZFGPUINR-UHFFFAOYSA-N	364.361	3.168	30	40	FGEB	
COc1cccc(C(=O)OCC(=O)N(CCC#N)c2ccc(C)cc2)c1	6486650	WXYVQCBKSKAECM-UHFFFAOYSA-N	352.390	3.107	30	40	FGEB	
Cc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1	5188671	KTDLUVXVLNNQRO-UHFFFAOYSA-N	374.487	3.219	30	40	FGEB	
C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)NCc1ccco1	12535423	YQPQPRBWDBDVGB-ZDUSSCGKSA-N	354.435	3.340	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccco1	5348726	YGKZULUSANWFGY-INIZCTEOSA-N	373.372	3.167	30	40	FGEB	
COc1ccc(-c2nc(/C(O)=N/S(=O)(=O)C3CCCC3)c(C)o2)cc1	86055191	ZPUPVDDQGPKSAQ-UHFFFAOYSA-N	364.423	3.236	30	40	FGEB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=S)Nc1ccccc1	72337901	QXBSTUHXJAIUAD-UNOMPAQXSA-N	351.435	3.207	30	40	FGEB	
C/C(=N/N=C(\S)N1CCN(C2CCCCCC2)CC1)c1ccccn1	40764088	ZGAVNXQAROBPJG-PGMHBOJBSA-N	359.543	3.432	30	40	FGEB	
COc1cccc(OC/C(O)=N/S(=O)(=O)c2ccc(Cl)s2)c1	48461504	BGYPZARWJPVWSP-UHFFFAOYSA-N	361.828	3.134	30	40	FGEB	
Cc1noc(C)c1CO/N=C/C(=O)Nc1ccccc1Br	84025286	ADCPQHDQRQCXTO-FRKPEAEDSA-N	352.188	3.195	30	40	FGEB	
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OCc1ccccc1	13747362	NACGKBFHWNTZOO-KEBDBYFISA-N	363.870	3.485	30	40	FGEB	
C=CCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1	19016067	ABHJDKZCUYFIAA-WOJBJXKFSA-N	366.436	3.059	30	40	FGEB	
COCCn1c(C)cc(/C=N/n2c(S)nnc2-c2ccccc2C)c1C	7007128	DLHMBMXCTRIUAC-UDWIEESQSA-N	369.494	3.489	30	40	FGEB	
Cc1ccc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1	16150363	UXLSUFTWVYXILO-HXUWFJFHSA-N	365.502	3.496	30	40	FGEB	
C#CCN(CC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc21	52845920	GIBMGROQQNRMLE-LJQANCHMSA-N	350.487	3.256	30	40	FGEB	
O=c1c2ccccc2nc(O)n1N=Cc1ccc(N2CCCCC2)cc1F	409361501	SWRDYTKSIZNGKW-UHFFFAOYSA-N	366.396	3.114	30	40	FGEB	
CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3O)NC2=O)cc1	6555766	JWNAYBIFMYPBFM-RONKMWSCSA-N	353.447	3.119	30	40	FGEB	
C=CCN1C(=O)S[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O	4785169	LWRRLEZJBNZKRC-NSHDSACASA-N	369.240	3.028	30	40	FGEB	
C=CCn1nnc(NCc2ccc(-c3ccc(Br)cc3)o2)n1	15356957	UNUKDFUXAFPPMZ-UHFFFAOYSA-N	360.215	3.494	30	40	FGEB	
Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(C)CC2)C1=O	20533437	CDWYPZLXWRDJDS-MOSHPQCFSA-N	364.445	3.064	30	40	FGEB	
CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCC#N	409085043	YFSWAYSSYAAZPZ-SSZFMOIBSA-N	355.463	3.321	30	40	FGEB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)C#N)cc1	218566309	TZOXLYWSBQZBJQ-OKZBNKHCSA-N	360.866	3.063	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCC[C@@H]2C)n1	225924158	MAVLIWDBKGLKGH-HNNXBMFYSA-N	374.558	3.318	30	40	FGEB	
CC(=O)Nc1ccc(/C=N/N/C(S)=N/c2ccc3cn[nH]c3c2)cc1	5423726	XSWHQLZAZLANGS-GIJQJNRQSA-N	352.423	3.062	30	40	FGEB	
CC(=O)Oc1ccc2c(c1)c(OC(C)=O)c(-c1ccccc1)n2OC(C)=O	4265646	XATRBUPDFIHMJO-UHFFFAOYSA-N	367.357	3.134	30	40	FGEB	biogenic
CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/C(=O)c1ccccc1O	32913472	GWCQJBBRTUWDAM-PKNBQFBNSA-N	368.385	3.476	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(C)(C)N1CCCCC1	52839902	VLUUVEWXOOYAFG-UHFFFAOYSA-N	354.454	3.245	30	40	FGEB	
C=CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1	4967590	VZPNAHLCXMLOCU-LJQANCHMSA-N	362.433	3.203	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C2/CCCCc3ccccc32)cc1[N+](=O)[O-]	6674315	JEWLXGQQPYKPEU-ZPHPHTNESA-N	373.434	3.312	30	40	FGEB	
N#CCCN(CCC#N)C(=O)CN1CCC(c2cc3ccccc3[nH]2)CC1	58191261	OUISJLWLRQDUBC-UHFFFAOYSA-N	363.465	3.003	30	40	FGEB	
C[C@@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)Nc1ccc(C#N)c(Cl)c1	25790662	AJFXMVATUUAJET-SNVBAGLBSA-N	368.780	3.272	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)cc2Cl)[nH]n1	5625927	AWQKDMBYHDWFPU-OMCISZLKSA-N	353.238	3.454	30	40	FGEB	
COc1ccc(/C=N/n2c(C)nc3c(sc4ncccc43)c2=O)cc1	9482544	BUTAJEVZZYHZIF-KEBDBYFISA-N	350.403	3.205	30	40	FGEB	
CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218332891	FZWCZLYJFXVTEJ-HBFSDRIKSA-N	369.442	3.008	30	40	FGEB	
C=CCN(c1ccc(C(=O)N(C)Cc2ccc(C)cc2)cc1)S(C)(=O)=O	216419680	FNQMCNOAEMKQEG-UHFFFAOYSA-N	372.490	3.219	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225652689	DVSCMVJEOFTSTM-RCCFBDPRSA-N	361.850	3.090	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1	225652666	DVSCMVJEOFTSTM-FGTMMUONSA-N	361.850	3.090	30	40	FGEB	
C[C@H]1CCCCN1S(=O)(=O)c1oc(-c2ccc(Cl)cc2)nc1C#N	1775975197	FWBVUUOEDJDJOZ-NSHDSACASA-N	365.842	3.430	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@H]2c1ccc(Cl)cc1	16956949	DWINKQZQKSKHSC-ZDUSSCGKSA-N	370.840	3.206	30	40	FGEB	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2Cl)C(=O)O1	102500236	PJQROIFBRQGQNU-KBOKABMXSA-N	370.792	3.062	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc([N+](=O)[O-])s2)cc1	672200	GSKREFWSXBNRSV-LFIBNONCSA-N	367.452	3.437	30	40	FGEB	
C=CCc1cc(C)ccc1OC[C@H](O)Cn1c(CO)nc2ccccc21	789800	MCCQKRAZICXKOP-QGZVFWFLSA-N	352.434	3.005	30	40	FGEB	
N#Cc1cnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(Cl)c1	78695261	ZGJWHIGLIBLCHB-CQSZACIVSA-N	359.792	3.146	30	40	FGEB	
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(C(=O)c2ccccc2)CC1	10832669	VVHOOOHFYSEEET-MRXNPFEDSA-N	361.445	3.480	30	40	FGEB	
C[C@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCC2	5016447	YHOPUKMDQMBUNK-ZETCQYMHSA-N	365.509	3.052	30	40	FGEB	
Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1F	14200138	XJVBVCFLKBTVRN-LJQANCHMSA-N	355.388	3.296	30	40	FGEB	
COc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccc(C(=O)O)cc1	409089008	LJHINLBRXUINDJ-SXGWCWSVSA-N	367.357	3.289	30	40	FGEB	
CCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]	20196748	JXLFCVINZKBYIW-YBFXNURJSA-N	359.382	3.134	30	40	FGEB	
CC(=O)C1=CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C	1569999106	XFTWQKLXXOBFBZ-BJEQZSDPSA-N	362.416	3.431	30	40	FGEB	
C=CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	3009681	KWCRGWBFKLKKPR-CYVLTUHYSA-N	350.418	3.253	30	40	FGEB	
COC(=O)c1oc(CO/N=C(\N)c2cc(Br)cs2)cc1C	55047121	XROVQCGHTLKHLH-UHFFFAOYSA-N	373.228	3.036	30	40	FGEB	
CN1/C(=C\C(=O)Cn2cnc3ccccc3c2=O)C(C)(C)c2ccccc21	35482496	INIJUTATTHRHRE-NDENLUEZSA-N	359.429	3.277	30	40	FGEB	
COc1cccc(S(=O)(=O)/N=C(\O)c2sc(C(C)C)nc2C)c1	58187833	ODQZJHBPQGUEMI-UHFFFAOYSA-N	354.453	3.277	30	40	FGEB	
COc1cc(/C=N/OCC(=O)N(C)c2ccccc2)ccc1OC(F)F	28775193	YYVZJHQEFHCAKS-SRZZPIQSSA-N	364.348	3.310	30	40	FGEB	
C=CCOc1c(OC)ccc2c(=O)oc3c(OC)ccc(C(=O)OC)c3c12	65734142	DWNMJAPYGWPHLT-UHFFFAOYSA-N	370.357	3.315	30	40	FGEB	in-vitro
COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1ccccc1C	13582174	AQRVYFMMABAUIW-YOPNLDQXSA-N	353.447	3.469	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1	5163364	BFJHJRFIJMGCTG-UHFFFAOYSA-N	368.459	3.357	30	40	FGEB	
CCN(CC)P(=O)(/C(N)=N/Nc1ccc([N+](=O)[O-])cc1)N(CC)CC	4772178	AHJSGJYFLAQJSX-UHFFFAOYSA-N	370.394	3.113	30	40	FGEB	
COCc1cc(C)nc(N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C#N	4820254	JGKUFCMHYZIOQO-UFWORHAWSA-N	359.773	3.416	30	40	FGEB	
CN(CCO)c1ccc(/C=N/n2cc(-c3ccccc3)nc2S)cc1	8045207	RKCJIUDRGYRBIR-DEDYPNTBSA-N	352.463	3.150	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc(F)c2)cc1	19138327	PRORNODJXXZFHF-FZKQIMNGSA-N	369.392	3.093	30	40	FGEB	
CC1=NN(CN2CCCCC2)C(=O)/C1=N\Nc1ccc(Cl)cc1Cl	13408165	UEYUVHTXQOUNES-HKWRFOASSA-N	368.268	3.423	30	40	FGEB	
CCOC(=O)Nc1ccc2c(c1)/C(=N/NC(=S)NC)c1ccccc1-2	16926701	SKBPEKGVHJOCDR-LTGZKZEYSA-N	354.435	3.082	30	40	FGEB	
COCCn1c(SCCCC#N)nc2sc3c(c2c1=O)CCCC3	4285701	CTJJLVYEMJAXIL-UHFFFAOYSA-N	363.508	3.379	30	40	FGEB	
COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cccc([N+](=O)[O-])c1	10002749	AWGOPFIVXYGOMD-HBTZSIKTSA-N	356.334	3.336	30	40	FGEB	
COc1ccc(Cl)cc1CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O	14242122	DTTSNMYKVZQZFA-LJQANCHMSA-N	369.808	3.187	30	40	FGEB	
COc1ccccc1/C=N/n1c(O)nc2c([nH]c3ccc(Cl)cc32)c1=O	8914705	BIFFBSXNLPSNGY-AWQFTUOYSA-N	368.780	3.128	30	40	FGEB	
C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)OCC	408814513	HDZGFOQDJGNREV-GDNBJRDFSA-N	361.419	3.023	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1	224898108	BGXTUWNFZYVFLF-UHFFFAOYSA-N	366.389	3.305	30	40	FGEB	
O=C1C[C@H](c2ccccc2O)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	17027735	TWUKYMCRUYZZAY-XCLFUZPHSA-N	374.400	3.105	30	40	FGEB	
N#Cc1cccc(OCCn2nnc(-c3ccc(Br)cc3)n2)c1	47370018	FZHVNFBPTHZRHT-UHFFFAOYSA-N	370.210	3.053	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccs2)cc1	2503984	ZDTUISCFMNAMTL-BLLLJJGKSA-N	357.431	3.016	30	40	FGEB	
COC(=O)c1c(C)cccc1NCC(=O)Nc1ccc(C#N)c(Cl)c1	22018089	DXWZJKOUGROYJJ-UHFFFAOYSA-N	357.797	3.357	30	40	FGEB	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@](C)(C#N)C(C)C)n1	21514844	BCNVIJDZJKLFJP-HNNXBMFYSA-N	370.400	3.427	30	40	FGEB	
N#C[C@]1(N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252516439	SNQFDMZDBLOTRL-XHSDSOJGSA-N	367.257	3.154	30	40	FGEB	
CN(C)c1cc([N+](=O)[O-])ccc1N/C=C\C(=O)c1ccc2c(c1)OCO2	6135748	JRIMNSARQMQVSF-FPLPWBNLSA-N	355.350	3.198	30	40	FGEB	
N#Cc1cc(NCC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl	24762545	DODXMVWOFDSTGK-UHFFFAOYSA-N	368.824	3.389	30	40	FGEB	
COc1ccc(CC(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1	4086491	OLMVKINIEUPBIG-UNOMPAQXSA-N	353.418	3.011	30	40	FGEB	biogenic
O=C(Cn1cc(/C=N\C2CCCCC2)c2ccccc21)N1CCOCC1	408962072	PNKYKYKPNDZORQ-HMAPJEAMSA-N	353.466	3.252	30	40	FGEB	
COc1ccc([C@]2(C)NC(=O)N(/N=C/C3=CC[C@H]4C[C@@H]3C4(C)C)C2=O)cc1	20935252	WLTAYVJOTRVOHA-VLRGEPDASA-N	367.449	3.440	30	40	FGEB	
C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccsc2)nc1C	24926848	OJNPNRPWLGECEM-UHFFFAOYSA-N	363.493	3.499	30	40	FGEB	
Cc1ccc(C#N)c(N2CCN(c3cccc(Br)c3)CC2)n1	557689690	ZQGLVAIVSADZQC-UHFFFAOYSA-N	357.255	3.351	30	40	FGEB	
COC(=O)c1cc(C#N)c(=O)n(Cc2csc(C3CCCCC3)n2)c1	47368823	STIZLYODQMDCOI-UHFFFAOYSA-N	357.435	3.059	30	40	FGEB	
CCOC1(OCC)[C@@H](c2cccs2)C(C#N)(C#N)C1(OCC)OCC	721488	XXZUIFQQIPYLDY-HNNXBMFYSA-N	364.467	3.417	30	40	FGEB	
C/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1C	6947112	QOKTXRHGFMGDON-NHOANQCQSA-N	361.648	3.340	30	40	FGEB	
C=CCn1nnc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1	10010799	YHYKTUOQQURZEY-CSKARUKUSA-N	355.785	3.424	30	40	FGEB	
Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC#N)nnc23)cc1	3280251	IYDCOBOWUJAFQH-UHFFFAOYSA-N	361.430	3.017	30	40	FGEB	
CCC/C(NC)=C1\C(=O)C[C@@H](C[C@@H](C)SCC)[C@H](C(=O)OCC)C1=O	104423952	GDYKIPWWXDATPK-HUZASSJOSA-N	369.527	3.129	30	40	FGEB	
Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1F	14200137	XJVBVCFLKBTVRN-IBGZPJMESA-N	355.388	3.296	30	40	FGEB	
CN(CC(=O)N[C@H](c1cccs1)C1CCCC1)c1ccc(C#N)cn1	83857514	UUTROTVPPWBGCW-IBGZPJMESA-N	354.479	3.499	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c1C#N	21354054	HKXCRGTVTWKRES-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)N(C)C1(C#N)CCCCC1	7622378	ZBOHWCKWARUJSI-GFCCVEGCSA-N	350.365	3.195	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C2\CCCc3c2[nH]c2ccccc32)cc1	653315	SPPHBPJPMPCCJE-DYTRJAOYSA-N	353.447	3.495	30	40	FGEB	
NC(N)=N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccc2ccccc2c1	6576589	ICLIXDCBELVJFF-CBTVAOKPSA-N	358.401	3.119	30	40	FGEB	
C/C(=N\NC(=S)Nc1cccc(C)c1)C1C(=O)c2ccccc2C1=O	101375013	NOWFCFBZKQVWKM-CIAFOILYSA-N	351.431	3.353	30	40	FGEB	
Cc1ccc(C(=O)C2CCN(CC(=O)NC3(C#N)CCCC3)CC2)c(C)c1	26640930	GQWGXMWPBMZSDB-UHFFFAOYSA-N	367.493	3.151	30	40	FGEB	
CC(C)(C)c1ccc(-c2nc(C#N)c(N[C@@H]3CCS(=O)(=O)C3)o2)cc1	27562478	KDEGIPZVVDCMEG-CQSZACIVSA-N	359.451	3.110	30	40	FGEB	
COc1cccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)F	14181302	HBULOPLVSWGBQO-SOFGYWHQSA-N	360.316	3.362	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2	6560814	GNAURPZJADTFHD-UHFFFAOYSA-N	360.527	3.197	30	40	FGEB	
CCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1	408708271	HYPQGYPZUKSIAR-UHFFFAOYSA-N	373.497	3.384	30	40	FGEB	
CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Br)cc1	30523087	RWCMKDSXJXXWFP-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
COC(=O)C1=C(NC(=O)c2ccccc2)OC2=C(C(=O)CC(C)(C)C2)[C@H]1C	98175597	HJWMFHMVKDGYFC-GFCCVEGCSA-N	369.417	3.111	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]31	1529453759	DUMRVWQAWKQNCV-HTCZQDTBSA-N	361.228	3.380	30	40	FGEB	
C[C@@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)c1ccc(F)cc1	14129671	JVMFUQNNCDOARM-SNVBAGLBSA-N	369.377	3.404	30	40	FGEB	
Cc1ccsc1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	40080484	FYKFZHJPGXTTFZ-UHFFFAOYSA-N	368.418	3.139	30	40	FGEB	
COc1ccc(C(=O)/C=C2/Nc3cc(Cl)ccc3OC2=O)c(OC)c1	101355760	NAPTXBIAWKBNFY-NTEUORMPSA-N	359.765	3.455	30	40	FGEB	
Cc1ccc2c(C)nc(N=C3NCN([C@@H]4CCC[C@H](C)[C@@H]4C)CN3)nc2c1	19327104	UVJAURJSRPJZJF-YZVOILCLSA-N	366.513	3.469	30	40	FGEB	
C=C1[C@@H](C(=O)Nc2cccc(OC)c2)[C@@H]1C(=O)Nc1cccc(OC)c1	3177614	PWLSUBJULIMGGO-QZTJIDSGSA-N	352.390	3.083	30	40	FGEB	
CCCOc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1	20390858	ZUZTXZFTHDSBAJ-UHFFFAOYSA-N	370.453	3.136	30	40	FGEB	
C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1	3659054	PUTQUIWJXPIMAI-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
O=C1C=CC(=C(c2ccc(O)cc2)c2ccccc2S(=O)(=O)O)C=C1	6528568	NUKDWKHUQCAPFT-UHFFFAOYSA-N	354.383	3.136	30	40	FGEB	
Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCC#N)nnc23)c1	9558798	VKHAHVRHWLYOGZ-UHFFFAOYSA-N	361.430	3.266	30	40	FGEB	
Cc1ccc(-c2c[n+](CC(=O)c3cccc([N+](=O)[O-])c3)c3n2CCC3)cc1	17247375	RIPUYBYQMMUMGB-UHFFFAOYSA-N	362.409	3.488	30	40	FGEB	
Cc1ccc(-n2c(C)nnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1	6820968	UTVCUBOBZSTJHZ-SFHVURJKSA-N	357.483	3.031	30	40	FGEB	
C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1	216899788	SHGQREPOSFPWMM-YRNVUSSQSA-N	367.357	3.372	30	40	FGEB	
C=CCN(c1ccc(C(=O)NCCC)cc1)S(=O)(=O)c1ccccc1	224374122	IVTISUGFVUHOLA-UHFFFAOYSA-N	358.463	3.208	30	40	FGEB	
N#Cc1cccnc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F	52426862	VNYODDMBDAATLZ-UHFFFAOYSA-N	362.355	3.421	30	40	FGEB	
Cn1c(CNC(=O)c2ccc(C#Cc3ccccc3)nc2)nc2ccccc21	12146866	MQSQRLOTAJZZQL-UHFFFAOYSA-N	366.424	3.298	30	40	FGEB	
COc1cc(O)c(/C=N/Nc2nc3ccccc3[nH]2)cc1Br	5396566	VJZQCTSDCJBDSQ-CAOOACKPSA-N	361.199	3.486	30	40	FGEB	
Cc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccccc2C#N)c1=O	4905977	NFRVSQJZQKUCNJ-UHFFFAOYSA-N	367.408	3.381	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3nnnn32)cc1	9660412	LAIASUJDSCEHFO-YWZLYKJASA-N	373.416	3.097	30	40	FGEB	
Cc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccco3)NC2=O)c(C)c1	21224368	SPCJPGQTWOABFM-HNNXBMFYSA-N	357.435	3.013	30	40	FGEB	
COc1cc(OC)c(NS(=O)(=O)c2ccccc2C#N)cc1Cl	3357055	MUUUZWACTXGLNR-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3ccccc3)S2)cc1	5124048	ZNIWWKJMXCGAGB-VYVDHXHBSA-N	353.447	3.250	30	40	FGEB	
N#Cc1cccc(N2CCC[C@]3(CN(CC4CC4)CC(F)(F)C3)C2=O)c1	306134261	NHFHQECRXGONSA-IBGZPJMESA-N	359.420	3.422	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(C(F)(F)F)c1	4899226	IDKIWPXVDZEQTI-QOJWJBQSSA-N	367.352	3.463	30	40	FGEB	
COc1cc2c(cc1/C=C1/SC(=Nc3ccc(F)cc3)NC1=O)OCO2	408964936	IQVBKGGYPZYSOJ-FRKPEAEDSA-N	372.377	3.455	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccccn1)C2	585106678	FEGQGTJIEWZKIO-QFIPXVFZSA-N	371.444	3.015	30	40	FGEB	
C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc(C#N)cc1	12920826	NZOSSVAKDMBIIX-KRWDZBQOSA-N	362.477	3.271	30	40	FGEB	
N#CC1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCN(Cc2ccccc2)CC1	611498664	NRDXXRBBVRTTFF-UFYCRDLUSA-N	351.494	3.487	30	40	FGEB	
CC1(C)CC(=O)c2c(nc(SCC(N)=O)c(C#N)c2-c2ccccc2)C1	630290	RTFYKCXWAQPCPP-UHFFFAOYSA-N	365.458	3.353	30	40	FGEB	
O=C(N/C=N/O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl	3125348	OQONZUMJEVBWCD-LBPRGKRZSA-N	357.719	3.419	30	40	FGEB	
C=CCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21	2265855	TVAHHRFMXFRJBI-UHFFFAOYSA-N	363.446	3.344	30	40	FGEB	
CCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(OC)cc1OC	57524907	VJRZSZOWGBWVLN-HNNXBMFYSA-N	354.406	3.423	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1	83146696	PGLNNOBBESCBQX-DLBZAZTESA-N	356.403	3.016	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3ccc(F)cc3)C(=O)O[C@@H]1C2	4085342	JHLRTSHNUXYPOF-UAOWYBJRSA-N	373.468	3.442	30	40	FGEB	biogenic
CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C#N)cc1	9885228	UBUWJADDSSNJNV-UHFFFAOYSA-N	359.223	3.472	30	40	FGEB	
CN(Cc1ccc(F)cc1Cl)S(=O)(=O)Cc1ccc(C#N)cc1	32855741	FPKDRTZTUZXHKB-UHFFFAOYSA-N	352.818	3.313	30	40	FGEB	
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccc(Cl)cc2)cc1	5218347	DXODLIYWJRUASX-SFQUDFHCSA-N	367.840	3.410	30	40	FGEB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/c1n[nH]c(=O)c(C#N)c1C	7324820	ADBAVIAEBVTJND-BQYQJAHWSA-N	369.787	3.407	30	40	FGEB	
Cc1cccc2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12	5181455	QRYMRIXTSDEQSV-UHFFFAOYSA-N	362.458	3.439	30	40	FGEB	
O=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)Nc1cccc(F)c1	1567283	OFZMBOCTBSWHSZ-UHFFFAOYSA-N	350.165	3.307	30	40	FGEB	
N#Cc1ccc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)cc1	56848955	LTTVDBQAXFXIJW-UHFFFAOYSA-N	354.498	3.356	30	40	FGEB	
C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1	27794428	LRSBOUAHUPWHSD-LJQANCHMSA-N	354.450	3.293	30	40	FGEB	biogenic
CCCCCCCCCCCCCCCC(=O)N=C(C(N)=O)C(N)=O	104119599	QBHBULITKGBRLL-UHFFFAOYSA-N	353.507	3.406	30	40	FGEB	
C=CCN1C(=O)c2ccc(C(=O)OCc3cccc(Cl)c3)cc2C1=O	5569732	JMJLFKIDXVAJML-UHFFFAOYSA-N	355.777	3.479	30	40	FGEB	
C#CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c2ccccc21	112264353	IVSYEXOBRLTBIP-VIOQCSKWSA-N	371.440	3.114	30	40	FGEB	
CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3cccc(C#N)c3)n2)cn1	35426227	OJZOJGKVUZSXJZ-SFHVURJKSA-N	374.448	3.406	30	40	FGEB	biogenic,in-vitro
C=CCN1CCOC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21	96243962	OPUVFGKGCJABPY-UHFFFAOYSA-N	351.450	3.169	30	40	FGEB	
C#CCCC1(CCC(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)N=N1	1616030929	HWTNTAARJMVRHM-AWEZNQCLSA-N	351.765	3.077	30	40	FGEB	
C=CCn1cc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c(C)n1	12187404	XEZQHGCBWRZQOM-IBGZPJMESA-N	369.465	3.287	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	19959661	SNZIKKHZUGVLBA-VXJOIVPMSA-N	359.773	3.108	30	40	FGEB	
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C#N)C1	4275239	SOWNXSGTLMUFQG-UHFFFAOYSA-N	365.867	3.492	30	40	FGEB	
N#Cc1ccc(CN2CCN(C[C@H](O)c3ccccc3Cl)CC2)cc1	40105801	CAUIZSCDQPGCHE-FQEVSTJZSA-N	355.869	3.063	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccc1	102881549	MLBUTSMEMMTBEY-GROYHEBESA-N	355.390	3.046	30	40	FGEB	
N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1cccc2c1OCO2	33517156	CNEQVMSVFOVWKZ-UHFFFAOYSA-N	364.317	3.462	30	40	FGEB	
COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1O	1436469	IZJXXNRTIRAMHV-REZTVBANSA-N	362.183	3.084	30	40	FGEB	
N#Cc1cccc(CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1	56848825	FWXFRWNLGPPGMI-SFHVURJKSA-N	355.825	3.495	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1Br	3317925	KNSIPQWZGHQECX-UHFFFAOYSA-N	365.208	3.178	30	40	FGEB	
COc1cccc(/C=N/n2cnc3c(sc4nc5ccccc5n43)c2=N)c1	2585272	SLPLEVDDJBYASL-KFWYMYOLSA-N	374.429	3.269	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cc2ccccc2o1	5163586	RNCNLWHXUYAHFP-LDADJPATSA-N	373.390	3.352	30	40	FGEB	
C(=C/c1nc2ccccc2n1C[C@H]1CO1)\c1nc2ccccc2n1C[C@H]1CO1	5338668	HCYNDNKYCCHALF-IGXNXKSNSA-N	372.428	3.354	30	40	FGEB	
COc1cc(C)c(C=Nn2c(O)nc3ccccc3c2=O)cc1C(C)C	409341737	FTMCUTYNEYWZQE-UHFFFAOYSA-N	351.406	3.425	30	40	FGEB	
Cc1ccc(-c2nc(=C(C#N)C#N)s/c2=C/c2ccc(N(C)C)cc2)cc1	35196413	DSCVDSWULZGXMT-UDWIEESQSA-N	370.481	3.211	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@H](C)C2)c1	225858722	PWEGSQITRTXTTG-INIZCTEOSA-N	350.466	3.100	30	40	FGEB	
COc1ccc(C(=O)[C@@H](C#N)c2nc(O)c3c4c(sc3n2)CCCC4)o1	654968540	BNEJGMNDPXIZLO-SNVBAGLBSA-N	369.402	3.367	30	40	FGEB	
N#Cc1ccc(N=c2[nH]c([C@@H]3CCCCN3Cc3cn[nH]c3)cs2)cn1	585294085	NNTLQDAAFMLQFG-KRWDZBQOSA-N	365.466	3.026	30	40	FGEB	
N#Cc1ccccc1N1CCCN(C(=O)NCc2cc3ccccc3[nH]2)CC1	57644909	CHBFYIWCEITTDU-UHFFFAOYSA-N	373.460	3.461	30	40	FGEB	
C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2F)c(OC)c1	2123595	JZFUGYYEGQWUMI-WSDLNYQXSA-N	373.453	3.397	30	40	FGEB	
CN(C)/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1	13154555	KFKKEUDYASHZLZ-BMRADRMJSA-N	367.268	3.146	30	40	FGEB	
Oc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1	408846956	OHMYWKOMWBFTPX-YVLHZVERSA-N	351.200	3.335	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(F)c1	4561563	PQLLQWDQVDAWAQ-UHFFFAOYSA-N	359.788	3.440	30	40	FGEB	
Oc1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	408860054	XOHXNTFQKVBIRY-YVLHZVERSA-N	351.200	3.335	30	40	FGEB	
Cc1ccc(SCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1C	4768641	XEHPTABWBCNCJC-UHFFFAOYSA-N	360.479	3.281	30	40	FGEB	
Cn1cc([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)Cc3ccccc32)cn1	585406072	AQWLZNQUKGARCO-JOCHJYFZSA-N	370.456	3.399	30	40	FGEB	
O=C(ON1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccccc1	102615584	RWDWQWRRZHCVND-UHFFFAOYSA-N	362.297	3.116	30	40	FGEB	
O=S1(=O)CC/C(=N/Nc2ccc(C(F)(F)F)cn2)c2cc(F)ccc21	33045591	IJVDLAULOMIYNM-MTJSOVHGSA-N	373.331	3.233	30	40	FGEB	
C=CCc1cc(C)ccc1OC[C@@H](O)Cn1c(CO)nc2ccccc21	789804	MCCQKRAZICXKOP-KRWDZBQOSA-N	352.434	3.005	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n[nH]c1=O	79106709	PPPADUDAVPREBD-LBPRGKRZSA-N	354.435	3.030	30	40	FGEB	
Cc1cccc(NC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)c1C	104897506	BVUVCKLBPYFQOE-GIJQJNRQSA-N	360.479	3.274	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C\c2nc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1	4880494	RHAJDKVBOLQISQ-APSNUPSMSA-N	360.717	3.479	30	40	FGEB	
C[C@H]1CN(c2ccc(CNC(=O)C3(C#N)CCCC3)cc2F)C[C@H](C)O1	55531201	OUHJQRWBLIPWRW-GJZGRUSLSA-N	359.445	3.139	30	40	FGEB	
C=CCN(Cc1ccccc1F)C(=O)c1cc(S(C)(=O)=O)ccc1C	58265146	QDXOBKAZYXMDOJ-UHFFFAOYSA-N	361.438	3.366	30	40	FGEB	
COc1ccc(-c2noc(CCC(=O)Nc3sccc3C#N)n2)cc1	12805393	HSDXQCOSNHSWKI-UHFFFAOYSA-N	354.391	3.250	30	40	FGEB	
COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1cccc(C#N)c1	15365386	VYWOGGBRHSTLPZ-UHFFFAOYSA-N	350.827	3.041	30	40	FGEB	
COC(=O)c1cccc(/N=C\c2cccc(OC)c2O[C@H](C)C(=O)O)c1	409231262	JDWMLTIQHGPGAW-WXYNYTDUSA-N	357.362	3.084	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1C#N	7784668	VUPDBXKQCAKSOQ-UHFFFAOYSA-N	373.460	3.431	30	40	FGEB	
Cc1ccc2nc(NCc3ccco3)c(/C=N/Cc3ccco3)c(=O)n2c1	17835565	KTEXKYBTXXEILD-CIAFOILYSA-N	362.389	3.420	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCCCC(=O)c2ccccc2)cc1	9835371	BAHNMMIRJDUHPZ-UHFFFAOYSA-N	350.374	3.359	30	40	FGEB	
N#Cc1cccc(C(=O)/N=c2\[nH]c3ccccc3n2CCN2CCCCC2)c1	28305479	JTXWKCXXBWWZFA-UHFFFAOYSA-N	373.460	3.068	30	40	FGEB	
CN1CCC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1=O	529074804	WRRFVDPVOQOFRC-QGZVFWFLSA-N	364.405	3.093	30	40	FGEB	
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	5575163	SZAHIEIJJDKFRX-IRIMQRBYSA-N	374.477	3.156	30	40	FGEB	biogenic
CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218043673	KHUFKDXTQUJARO-WSTZPKSXSA-N	369.442	3.008	30	40	FGEB	
Cn1nccc1COCC(O)=Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1	329488100	GXLWTGYUDSGELQ-UHFFFAOYSA-N	369.469	3.416	30	40	FGEB	
N#Cc1cc(Br)cnc1N1CCC[C@H](COc2ccncc2)C1	1889108493	VNCNAOBRTXEWHA-ZDUSSCGKSA-N	373.254	3.406	30	40	FGEB	
CCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N	20057966	MNURCLFDPCSYIV-UHFFFAOYSA-N	366.446	3.428	30	40	FGEB	
Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1c(O)ccc2ccccc12	969966	XYHVQMMOVKMGEY-LPYMAVHISA-N	356.385	3.355	30	40	FGEB	
N#Cc1cccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1	3231645	DRRMODASYPGPIJ-UHFFFAOYSA-N	350.708	3.285	30	40	FGEB	
C=C1C(=O)O[C@@H]2/C=C(/C(=O)O)CC/C=C(\C)C[C@@H](OC(=O)/C=C(/C)CC)[C@@H]12	104207642	ILNNCSSDKBHGFO-UECKKEGUSA-N	374.433	3.494	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)c1cc(C)nc2nc(C(F)(F)F)nn12	57996985	FFKGGLFXYUZHQJ-UHFFFAOYSA-N	359.355	3.400	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC	2055376	CGMLXTIIEVRCIM-IBGZPJMESA-N	353.418	3.392	30	40	FGEB	
CCCC(=O)C1=C(Nc2ccc(N)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	101874060	VEJMNTJXVQQHBH-KRWDZBQOSA-N	358.438	3.092	30	40	FGEB	
N#Cc1cccc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1	12853378	QYKOKVFYLCOMPT-UHFFFAOYSA-N	362.429	3.424	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	12931646	MWALMTJKXYVLMQ-GVDBMIGSSA-N	355.482	3.271	30	40	FGEB	
Cc1ccccc1C(=O)N1CCC(C(=O)OCc2cccc(C#N)c2)CC1	13227390	YOBHRSXRZVZPGO-UHFFFAOYSA-N	362.429	3.462	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O	4689255	CUPDUPRTSOWVEC-XDHOZWIPSA-N	359.385	3.216	30	40	FGEB	
COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1	4880800	VXSRANAJLGWQRP-XOMICKMZSA-N	369.446	3.285	30	40	FGEB	
C/C(=N\Nc1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1	8446357	VDHALQHYKFAGTJ-LIMNOBDPSA-N	350.279	3.055	30	40	FGEB	
C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1	408614600	FCOAJTSCGPBGPT-OAHLLOKOSA-N	374.462	3.045	30	40	FGEB	
COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1	95455163	QSQILFNJLYASRP-GFCCVEGCSA-N	363.295	3.133	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1/C=N/c1cccc2cnccc12	408739828	FYXQGBMPKJLULJ-LTNVFZTJSA-N	374.425	3.001	30	40	FGEB	
N#Cc1ccc(CNC2(Cc3cc(-c4ccc(F)cc4)on3)COC2)cc1	67897863	XQENQFJJYSIVMI-UHFFFAOYSA-N	363.392	3.454	30	40	FGEB	biogenic,in-vitro
COc1cc(/C=N/OC(C)=O)ccc1OCc1nc2ccccc2nc1C	16265398	CVMVKSFQQKPOMB-SRZZPIQSSA-N	365.389	3.423	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O	4305457	OCXRSLZMMPCDEY-PLYCEOIHSA-N	358.825	3.270	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2coc(/C=C/c3ccccc3)n2)cc1	4293470	KSXJCPIUPOHMRV-UKRUMFJESA-N	367.430	3.466	30	40	FGEB	
N#Cc1cccc(CN2CCC(Nc3ncnc4c3ncn4C3CC3)CC2)c1	593516610	CACPUFXHVNNEOO-UHFFFAOYSA-N	373.464	3.109	30	40	FGEB	
O=C1C2=C(Nc3[nH]nc(O)c3[C@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21	18196148	ZZGKUURDVCREIA-ZDUSSCGKSA-N	360.329	3.189	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)o1	695713	YVMUNLUGUHHHLV-XNTDXEJSSA-N	357.229	3.053	30	40	FGEB	
C[C@H](Sc1ccccc1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1	24166538	RNPGWMPNWFBIPK-CABCVRRESA-N	360.479	3.442	30	40	FGEB	
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21	24842657	GPRBTKUACLUJQH-FQEVSTJZSA-N	373.460	3.344	30	40	FGEB	
Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(C(F)(F)F)cc1	12532857	QRUWUYNRCVFHEQ-UHFFFAOYSA-N	373.338	3.459	30	40	FGEB	
COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(OCC(=O)O)c(Cl)c1	106127361	JNVBXTKFUJJHDE-LSCVHKIXSA-N	364.741	3.471	30	40	FGEB	
C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(F)c1	58215841	PMKYFJKESORTRT-AWEZNQCLSA-N	363.396	3.172	30	40	FGEB	
CCOC(=O)c1c(NC(=O)C[n+]2cccc(C)c2)sc2c1CC[C@@H](C)C2	3377212	FOIPPMAXIIGEBC-CYBMUJFWSA-O	373.498	3.284	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)SC1=S	2377540	FCIHSZKXLMSNBF-RIYZIHGNSA-N	351.449	3.100	30	40	FGEB	
Cc1ccc2nc(-c3ccc(NC(=O)Cn4cnc(C#N)n4)cc3)sc2c1	14142992	SVAPMULVAFTBSH-UHFFFAOYSA-N	374.429	3.374	30	40	FGEB	
C=CCN(C(=O)CSc1nnnn1-c1ccccc1C)c1ccccc1	7587532	PKOFJFPNYQQHOK-UHFFFAOYSA-N	365.462	3.282	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@](C)(C#N)CCOC(C)C	84016981	NBFWMDZLMVGYPR-OAQYLSRUSA-N	368.481	3.245	30	40	FGEB	
C#CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	409092212	TXCDWOQMEFENIE-DFSFMLJYSA-N	359.472	3.079	30	40	FGEB	
CCOc1cc(Br)cc(/C=C2/S/C(=N/C)N(C)C2=O)c1O	408928417	AYTAEPPEULIPNG-BTSHEXGNSA-N	371.256	3.085	30	40	FGEB	
N#Cc1ccnc(OCC2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1	1775996220	BWOVBHOTKGMVAS-UHFFFAOYSA-N	369.852	3.467	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)CC(C)C)C2	585107457	WLKOQYVKWGKZFF-NRFANRHFSA-N	350.466	3.352	30	40	FGEB	
COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1	5787861	AYZMQOAYTJQBSC-QGZVFWFLSA-N	366.442	3.149	30	40	FGEB	
C=C(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2	18143450	LUFLWDHFDIMRRW-UHFFFAOYSA-N	359.495	3.309	30	40	FGEB	
Cc1ccc(-c2nc(SCC(=O)OC3CCCC3)[nH]c(=O)c2C#N)cc1	5238332	IRJDOMYHSXSBKO-UHFFFAOYSA-N	369.446	3.195	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccs2)sc2cc(OC)c(OC)cc21	101035557	GKGJZEGRIDMHSN-ZCXUNETKSA-N	358.444	3.156	30	40	FGEB	
Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3cccnc3)ncn2)n1	4952799	DGPYTWZYBHQNIX-ZMOGYAJESA-N	355.405	3.479	30	40	FGEB	
COc1cccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)c1OC	6342154	SLFZMEYIRODRDO-DHZHZOJOSA-N	353.418	3.437	30	40	FGEB	
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(=O)Nc1ccccc1Cl	16589509	CIAKWWRADPSVKE-ZDUSSCGKSA-N	370.840	3.109	30	40	FGEB	
Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1	408739350	BESBHUVKLWDZJE-PZUDMAOCSA-N	351.431	3.070	30	40	FGEB	
COCCOC(=O)/C(OC1=CC(=O)C[C@H](c2ccccc2C)C1)=C(/C)O	112116241	ZUVZQBDICXYFGL-FHHIAAGZSA-N	360.406	3.321	30	40	FGEB	
CCOc1ccc(Br)cc1/C=N\N1C(=O)CSC1=S	33535528	AYPIVNGCMSGIDO-NSIKDUERSA-N	359.270	3.042	30	40	FGEB	
COc1ccc(/C=C/C(=O)C(C(=O)O)=C2SCCS2)cc1OC	3342771	OYAWOKYKOKPMHC-HWKANZROSA-N	352.433	3.062	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2I)nc1	6079999	GLVGVKIQKPQHPR-VIZOYTHASA-N	368.134	3.040	30	40	FGEB	
Cc1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C#N)c1C	5144840	XXIOUOLTBDXAKK-UHFFFAOYSA-N	353.403	3.142	30	40	FGEB	
CN(C(=O)/C=C/c1ccc(C#N)cc1)C1CCN(CCc2ccccn2)CC1	58185563	UAGLBNRZBITLOA-MDZDMXLPSA-N	374.488	3.132	30	40	FGEB	
C/C=C/[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@H](CO)N(C)C1=O	100152229	QNQBPPQLRODXET-YDLOFUBOSA-N	373.493	3.021	30	40	FGEB	
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12	5048333	OITUCHBJLHBKMP-YJPXFSGGSA-N	352.434	3.354	30	40	FGEB	
O[C@]1(Cn2cncn2)c2ccccc2CC[C@]12O[C@@H]2c1ccc(Cl)cc1	13786893	AMIQPHHTWZOBRV-VAMGGRTRSA-N	367.836	3.276	30	40	FGEB	
O=c1[nH]ncc(N/N=C/c2c(Cl)cccc2Cl)c1Br	4342142	ODEIREXHZAVROS-SYZQJQIISA-N	362.014	3.285	30	40	FGEB	
C#CC(CC)(CC)NC(=O)COC(=O)/C=C/c1cccc2cccnc12	14812622	CMXWJQGRYTWDON-OUKQBFOZSA-N	350.418	3.099	30	40	FGEB	
N#Cc1nccnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	20231000	CHOOTEGPSYFPEQ-UHFFFAOYSA-N	355.445	3.260	30	40	FGEB	
COc1ccc(CC[C@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1	7469118	JFPYZLGWMAFGCQ-NRFANRHFSA-N	363.417	3.010	30	40	FGEB	
N#CCCn1ccc(NC(=O)Nc2cccc(OCC(F)(F)F)c2)n1	97164682	RKRGRCBJEDQWKF-UHFFFAOYSA-N	353.304	3.382	30	40	FGEB	
Cc1nc([C@@H](C)NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)n[nH]1	588235773	NRMOQJKMTOJJCI-LLVKDONJSA-N	363.381	3.055	30	40	FGEB	
CCOC(=O)/C(=C/n1c(=O)sc2ccccc21)C(=O)c1ccccc1	5828116	HOKODFITTJUAMH-WYMLVPIESA-N	353.399	3.350	30	40	FGEB	
N#CCCN(C(=O)COC(=O)/C=C/c1cccc(F)c1)c1ccccc1	2656539	WFQMCJRZUIJKGJ-ZHACJKMWSA-N	352.365	3.329	30	40	FGEB	
CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1cccnc1	5520359	OVVMKAVREUGXLN-GOIJELEESA-N	353.403	3.404	30	40	FGEB	
Cc1ccc([C@@](O)(CCNC(=O)Nc2ccc(C#N)cc2)C(F)(F)F)o1	40067667	NLJQRWVWJPVALP-INIZCTEOSA-N	367.327	3.421	30	40	FGEB	
CCc1cccc(C)c1Nc1nnc(SCC(=O)NCCC#N)s1	12609736	AFPXRYWVBBZPAF-UHFFFAOYSA-N	361.496	3.275	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1	36739357	LDWCXXIDJZCZJW-QRWLVFNGSA-N	353.418	3.438	30	40	FGEB	
COc1ccccc1C1(/C(O)=N/S(=O)(=O)c2sc(C)nc2C)CC1	83150817	ARJFHELAYKYEJQ-UHFFFAOYSA-N	366.464	3.146	30	40	FGEB	
CCc1ccc(-c2n[nH]c(SCC(=O)NC3(C#N)CCCCC3)n2)cc1	5180189	DGGLYQMLUFHKBA-UHFFFAOYSA-N	369.494	3.469	30	40	FGEB	
CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(C)cc2)S1	409087793	ZQPQOMIIJUEPSE-KAMYIIQDSA-N	359.447	3.343	30	40	FGEB	
CCn1c(N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)nc2ccccc21	408692454	MUVWLBRORVJKSM-VCHYOVAHSA-N	355.354	3.125	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OC	408917999	DXAIRBJMCRGYGC-GXDHUFHOSA-N	361.806	3.030	30	40	FGEB	
COc1cccc(/C=N\Nc2cc(C)nc(-c3ccccc3O)n2)c1O	36653061	NVWKNYCCCLJTGO-JAIQZWGSSA-N	350.378	3.318	30	40	FGEB	
O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(O)c1)c1ccco1	85409854	BEMXFLZVLOJWJC-AWEZNQCLSA-N	368.370	3.225	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224757253	VAHVBEMZJLIFNI-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1	583910208	IRZZYLMMULHENA-LESCRADOSA-N	363.889	3.199	30	40	FGEB	
Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Br)=C2)cc1C	5610791	NGLGTSLWONYDOC-SFQUDFHCSA-N	368.252	3.159	30	40	FGEB	
N#Cc1ccccc1OC(=O)COc1ccc(F)cc1Br	21053562	MRYDYQWJSNMMLX-UHFFFAOYSA-N	350.143	3.444	30	40	FGEB	
COc1ccc2c(c1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1ccccc1OC	85409428	XMAVVRUGTYNXAO-QGZVFWFLSA-N	374.400	3.421	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2C#N)C1	4518028	OURZDACSGRNDTH-NSHDSACASA-N	374.487	3.400	30	40	FGEB	
C=CCn1cnnc1SCC(=O)c1ccc(NC(C)=O)c(SC)c1	53574588	FZUGZVDULTUMMY-UHFFFAOYSA-N	362.480	3.119	30	40	FGEB	
CC[C@]12OC(=N)[C@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(OC)cc1)O2	102718372	GTRWMWKCKQQGHI-GEAQGZNASA-N	350.378	3.060	30	40	FGEB	
CN(CC(=O)N[C@@H](c1cccs1)C1CCCC1)c1ccc(C#N)cn1	60554135	UUTROTVPPWBGCW-LJQANCHMSA-N	354.479	3.499	30	40	FGEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccccc1Br	5012148	ZTABSNNKARXEOA-UHFFFAOYSA-N	369.222	3.042	30	40	FGEB	
Cc1nn(Cc2ccc(C(=O)Nc3ccccc3)cc2)c(=O)c(C#N)c1C	7384963	WEQKBPWCTDIWGD-UHFFFAOYSA-N	358.401	3.032	30	40	FGEB	
CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C=N/C[C@@H]1CCCO1	18202751	GTFVTOIVKNLZIX-DZUMZMOTSA-N	370.478	3.326	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1	30863080	HIGRHCDJURLUAS-IBGZPJMESA-N	368.433	3.407	30	40	FGEB	
C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224901030	GDUOSDSWNVSANH-UHFFFAOYSA-N	366.389	3.305	30	40	FGEB	
Cc1ccc(S(=O)(=O)N2CCCC=C2B2OC(C)(C)C(C)(C)O2)cc1	196194730	KTGNGFLJHBKPAK-UHFFFAOYSA-N	363.288	3.295	30	40	FGEB	
CN(C)c1ccc(/C=N/Nc2ccc([N+](=O)[O-])nc2)cc1Br	98086322	WINVHHNEUQQKPA-CAOOACKPSA-N	364.203	3.264	30	40	FGEB	
Cc1oc(NC(=O)CN(C)Cc2nc3ccccc3s2)c(C#N)c1C	40033462	AZURGNJNNPZYHU-UHFFFAOYSA-N	354.435	3.448	30	40	FGEB	
CO[C@@H](C)C/C=N\Nc1nnc(N/N=C/C[C@@H](C)OC)c2ccccc12	17418194	BRCPZVOBLPHGKE-LNXOVZJCSA-N	358.446	3.275	30	40	FGEB	
N#C/C(=N\Nc1ccc(Br)cc1)c1nnc2n1CCCCC2	5574464	HYBZFXVYFOZAGM-CPNJWEJPSA-N	359.231	3.107	30	40	FGEB	
COc1cccc(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC	5179681	WXYSMXYJGTUADD-YVLHZVERSA-N	360.326	3.356	30	40	FGEB	
COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)c1OC	7266570	HHIUNIDPTOPCCF-CQSZACIVSA-N	353.422	3.034	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccs2)s1	13722371	LVGMJVRIGADXER-GFCCVEGCSA-N	373.415	3.284	30	40	FGEB	
Cc1nc(-c2c[nH]c(C(=O)NCCNc3cccc(F)c3C#N)c2)cs1	53468919	QMPMMGHYQZQPNR-UHFFFAOYSA-N	369.425	3.299	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1	104301251	NBWZNCYAORGNBO-KPKJPENVSA-N	357.347	3.044	30	40	FGEB	
CC(C)c1nc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1	47011567	HTPBTEAEMRSBEB-UHFFFAOYSA-N	370.522	3.271	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccc(Br)s1)n1ncnc1N2	18195725	MKYNGANRNBDEIJ-GFCCVEGCSA-N	351.229	3.124	30	40	FGEB	
COc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1	18286058	KCCAXKJEVBYBRN-HNNXBMFYSA-N	373.409	3.082	30	40	FGEB	
CCOc1cc(C#N)ccc1OCC(=O)Nc1nc2c(s1)CCCC2	9836408	JKIICSUPVAMILG-UHFFFAOYSA-N	357.435	3.310	30	40	FGEB	
C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1	225118055	WLAQZKKXIHYKDB-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
C#CCOc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1OC	40288413	YHDNSQHGPHOHJP-MRXNPFEDSA-N	374.400	3.412	30	40	FGEB	
C[C@@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1	7482564	JVRDTLGEWBCPSM-GFCCVEGCSA-N	358.781	3.161	30	40	FGEB	
Cc1cc(N2CCC[C@H](Cn3cncn3)C2)n2c(nc3ccccc32)c1C#N	108846872	HRFCLUYNDCXEQL-INIZCTEOSA-N	371.448	3.176	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(OC)c1	3652453	LVKLUHVRGKWUSP-KRWDZBQOSA-N	372.446	3.075	30	40	FGEB	
C=CCNC(=S)N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1	26842210	PQTKPNCSCXPFIY-NDENLUEZSA-N	351.435	3.116	30	40	FGEB	
COc1cc(/C=N/c2cccc(C(=O)O)c2C)ccc1O[C@H](C)C(=O)O	409018446	HKWGDUFZYOANBW-HMASQMOLSA-N	357.362	3.304	30	40	FGEB	
CCOc1ccc(C(=O)/C=C/c2ccc(OCC(=O)NC)c(OC)c2)cc1	40139696	XYOYSTNAXSDTAP-VZUCSPMQSA-N	369.417	3.115	30	40	FGEB	
CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Cl)c1OC	44060334	DUEPYAMGSCKUNS-WOJGMQOQSA-N	368.842	3.060	30	40	FGEB	
N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc1	90607630	BLPAPTHETOLMCY-UHFFFAOYSA-N	355.825	3.219	30	40	FGEB	
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	82230493	VSGTWMOZGFNRPM-QJYNGXKYSA-N	360.494	3.055	30	40	FGEB	biogenic,in-vitro
N#CC1(c2ccccc2)CCN(C(=O)c2c[nH]c(=O)c3ccccc23)CC1	97745238	IGJLWMVHEWLRAI-UHFFFAOYSA-N	357.413	3.226	30	40	FGEB	
CCN/C(S)=C(/C(=O)c1ccc(OC(F)F)cc1)[n+]1ccccc1	12655471	ZPSOVXQOJNZKLB-UHFFFAOYSA-O	351.398	3.124	30	40	FGEB	
C=C[C@]1(C)C[C@](O)([C@@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(CC)c21	15204723	CLSJUQWISAXGNX-HMXCVIKNSA-N	356.418	3.448	30	40	FGEB	biogenic,in-vitro
CCOC(=O)C(=O)/C(=N/Nc1ccccc1Cl)C(=O)c1cccs1	2557526	NPDROADYFLOSPB-CPNJWEJPSA-N	364.810	3.185	30	40	FGEB	
COc1ccc(C)cc1NC(=O)[C@@H](C)O/N=C/c1cccc([N+](=O)[O-])c1	30497016	XJXIELKJLABGON-OTGIAGGSSA-N	357.366	3.290	30	40	FGEB	
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1(C#N)CCCC1	20962218	QXIPPYPZQOQWJA-UHFFFAOYSA-N	354.237	3.474	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccccc2OC)c1C#N	872499	BEGZWKUXKYTODY-UHFFFAOYSA-N	357.435	3.148	30	40	FGEB	
Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1C#N	94870543	XFYPFCXGJRCEQS-UHFFFAOYSA-N	357.254	3.492	30	40	FGEB	
C=CCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC	409026412	OIXQJRVZAMSQMH-JYRVWZFOSA-N	366.826	3.020	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)O)c1	217568750	DWQDTFUYQDRBKY-ZDUSSCGKSA-N	360.435	3.022	30	40	FGEB	
Cc1nn2c(ncc3c(=O)n(CCS)ccc32)c1-c1ccc(F)cc1	40396890	XHRXAFMJQHNJBQ-UHFFFAOYSA-N	354.410	3.089	30	40	FGEB	
CC(=O)C1=C(C)N(C)[B-](c2ccccc2)(c2ccccc2)N=C1C(F)(F)F	1776111167	CMMNFADPCYCCOB-UHFFFAOYSA-N	371.191	3.055	30	40	FGEB	
N#Cc1c(NCc2nc(CO)cs2)nc2c(c1C#N)CCCCCC2	619491354	DXWDCZRWFSPPNV-UHFFFAOYSA-N	353.451	3.045	30	40	FGEB	
CN(C)Cc1cc(C(=O)/C=C\c2ccc(O)cc2)cc(CN(C)C)c1O	5822393	GENGBDBCCZWCCY-YFHOEESVSA-N	354.450	3.117	30	40	FGEB	
N#CC1(C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3CC2)CCCC1	1565547242	MTSCTJJXGLDASQ-UHFFFAOYSA-N	352.413	3.227	30	40	FGEB	
N#Cc1c(F)cccc1N1CCN(C(=O)CCCc2cccs2)CC1	31404155	LLTUKLAJUMQJTI-UHFFFAOYSA-N	357.454	3.430	30	40	FGEB	
N#Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1	32983698	CFSXNKUNSIMVCH-UHFFFAOYSA-N	362.458	3.126	30	40	FGEB	
CC1(C)CC2=Nc3c(C(N)=O)cnn3[C@@H](c3ccc(C#N)cc3)C2=C(O)C1	102452601	KPBRVAYOFLOKJC-KRWDZBQOSA-N	361.405	3.161	30	40	FGEB	
COc1cccc(NC2=NNC(=C3C=CC(=NC(C)=O)C=C3)CS2)c1	9322131	MRZDDVAGPBWMAH-UHFFFAOYSA-N	354.435	3.082	30	40	FGEB	
CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1	7109154	FRVYWIYUGUCWBO-INIZCTEOSA-N	371.481	3.421	30	40	FGEB	
C[C@H]1CCc2cc(F)cc3c(=O)c(/C(O)=N/Cc4ccncc4)c(O)n1c23	5695684	CYUHTQDWLGHZCB-NSHDSACASA-N	367.380	3.253	30	40	FGEB	
COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1	12637034	HXHVMXNSLCFBPD-YVLHZVERSA-N	367.357	3.150	30	40	FGEB	biogenic
Cc1cc(Nc2ccc(F)cc2)nc2nn(Cc3cccc(C#N)c3)c(=O)n12	49410821	ZRSRDWMEYKXIOO-UHFFFAOYSA-N	374.379	3.002	30	40	FGEB	
N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2n1	40150588	ZCAOODDUKPAJBS-RBUKOAKNSA-N	369.424	3.460	30	40	FGEB	
COc1ccc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC	21036421	SZYXGNTULISECT-RJSXDPMQSA-N	368.433	3.421	30	40	FGEB	
Cc1c(C(=O)NCCCc2n[nH]c(N)c2C#N)oc2c1ccc1ccccc12	23995828	SHPNCKAAELJHAL-UHFFFAOYSA-N	373.416	3.434	30	40	FGEB	
C=CCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N/c1ccccc1	105756366	KCXJPFVSGNIAAQ-XUTLUUPISA-N	351.431	3.440	30	40	FGEB	
C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)NCc1ccco1	12535422	YQPQPRBWDBDVGB-CYBMUJFWSA-N	354.435	3.340	30	40	FGEB	
CC#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@@]21C)OCCO6	4073590	NRUIWWWJNIPUBD-GYWAETMMSA-N	370.489	3.332	30	40	FGEB	biogenic
C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1-n1cnnn1	65453367	AQXKJCVZQGVUST-ZDUSSCGKSA-N	364.434	3.166	30	40	FGEB	
C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3c(s2)CC[C@H](C)C3)c1	69124137	MVGBGSIXCQLSDE-AWEZNQCLSA-N	366.486	3.247	30	40	FGEB	
CC(C)=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1	18194030	HKMXABKGNIDAPJ-LLVKDONJSA-N	373.265	3.305	30	40	FGEB	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(CCC#N)C3CC3)C2)c1	84083526	RCRMIGIFYMJOMT-QGZVFWFLSA-N	353.466	3.060	30	40	FGEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1O	409292537	GZSSLYODBXGLSA-UHFFFAOYSA-N	372.222	3.309	30	40	FGEB	
N#Cc1c(N)oc2c1[C@H](c1ccccc1)S(=O)(=O)[C@@H]2c1ccccc1	5684980	UDCWPLCEVLZYIO-ZWKOTPCHSA-N	350.399	3.341	30	40	FGEB	
COc1nc(N/N=C/c2ccc(C(C)C)cc2)nc(N2CCCCC2)n1	6358943	IMXYSWMEIZINBD-DEDYPNTBSA-N	354.458	3.440	30	40	FGEB	
CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCCC2	12323478	XWYDFSCDSNIDSH-UHFFFAOYSA-N	355.482	3.422	30	40	FGEB	
C/C(Cc1ccccc1)=N\NS(=O)(=O)c1ccc(Br)cc1	4498878	QVECRLUJWGERGV-SFQUDFHCSA-N	367.268	3.346	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccn2)cs1	12523560	IAVVNZLEDHGOHR-LBPRGKRZSA-N	350.403	3.483	30	40	FGEB	
O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)C1CCCCC1	58074932	SNGMXENAIYRLJW-UHFFFAOYSA-N	371.480	3.169	30	40	FGEB	
CCc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1	27757471	JBOPNRRYRMWVCO-INIZCTEOSA-N	360.845	3.247	30	40	FGEB	
COc1ccc([C@]23O[C@@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	104076777	XFOPTVJYFVBADW-HLAWJBBLSA-N	368.385	3.428	30	40	FGEB	
Cc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1-c1ccccc1	6110223	QSVDISVGQRRAHY-AWEZNQCLSA-N	369.494	3.399	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(OC)c1	5128039	MCTPSRCZUHNAQC-BJMVGYQFSA-N	353.418	3.437	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C#N)C1	5222953	FXQYACLYZBRIJD-LLVKDONJSA-N	374.487	3.400	30	40	FGEB	
O=C(O/N=C1/C[C@H](NC(=O)C(F)(F)F)c2ccsc21)c1ccco1	33927136	DJDADXMOWFEWMK-NFAMBCEPSA-N	358.297	3.026	30	40	FGEB	
CN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)NC1=S	39556494	VCTZXCXQNMYUQA-ZDLGFXPLSA-N	372.453	3.249	30	40	FGEB	
CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)CC1	95081627	GIRIMNILIOAEHL-UHFFFAOYSA-N	366.259	3.378	30	40	FGEB	
CCOc1cc(/C=N/Nc2nc3ccccc3n2C)cc([N+](=O)[O-])c1O	7343341	CSEMWBHMLDVGTB-VCHYOVAHSA-N	355.354	3.032	30	40	FGEB	
CNC(=S)N/N=C/c1cn(Cc2ccccc2)nc1-c1cccs1	40161288	PYPKHHRHYWEULA-VXLYETTFSA-N	355.492	3.088	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1	23731428	RCDFCWHGTGGTKU-UHFFFAOYSA-N	351.475	3.066	30	40	FGEB	
C=CCn1c(C)cc(C(=O)COC(=O)c2c(OC)cccc2OC)c1C	3394952	UWBGJLXXDANQHL-UHFFFAOYSA-N	357.406	3.348	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1	3536106	ZEWQGESMDRXDOW-UHFFFAOYSA-N	368.462	3.289	30	40	FGEB	
COc1ccc([C@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@@H]3O)cc1	4775920	SMSNOVVIVRBCOU-PLACYPQZSA-N	370.401	3.278	30	40	FGEB	
COc1cccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1	4860022	WNNKDNBPUPCCPU-SMOSDQRPSA-N	362.389	3.204	30	40	FGEB	
C=CCOc1c(Cl)cc(CNn2c(CC)n[nH]c2=S)cc1OC	8339043	GGDXLODIEFZELH-UHFFFAOYSA-N	354.863	3.474	30	40	FGEB	
CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2)c1	12928426	SALVCSGFMZJGDJ-UHFFFAOYSA-N	351.406	3.058	30	40	FGEB	
CN(C)/C=N/C(=O)[C@@H](c1ccccn1)c1ncc(C(F)(F)F)cc1Cl	4051841	ZGVSQFYIRSIIAT-ZJCNFCNTSA-N	370.762	3.397	30	40	FGEB	
COc1ccc(CN2C(=O)C[C@H](C(=O)O)S/C2=N\c2ccccc2)cc1	4524920	IEZLYCNEFIVGDT-DVSFIDLUSA-N	370.430	3.302	30	40	FGEB	
CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C=Nc3ccccc32)c1	5525072	NDDOHVKNONHYQC-UZYVYHOESA-N	356.451	3.249	30	40	FGEB	
COc1ccc(-n2nnnc2S[C@@H](C#N)Cc2ccc(C)cc2)cc1	9723291	DWYYNLIKUFILEY-QGZVFWFLSA-N	351.435	3.206	30	40	FGEB	
COCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1	12224590	OFTCBIOKBUBKDE-UHFFFAOYSA-N	359.429	3.038	30	40	FGEB	
O=C1C[C@@H](c2ccccc2O)CC2=C1[C@@H](c1ccc(O)cc1)n1ncnc1N2	17027737	TWUKYMCRUYZZAY-RNODOKPDSA-N	374.400	3.105	30	40	FGEB	
COc1ccccc1COC[C@H](O)CSc1nc(C)cc(C)c1C#N	32751076	GGXFLUXSAHVNFS-INIZCTEOSA-N	358.463	3.249	30	40	FGEB	
COc1ccc(C(=O)CCC(=O)OCc2ccc(C#N)cc2F)cc1OC	32860257	BFDHFAWTRFFTGS-UHFFFAOYSA-N	371.364	3.421	30	40	FGEB	
C=CCn1c(C)nnc1SCCC(=O)Nc1ccnn1C1CCCC1	32871045	MBNVHSDDGGWPLJ-UHFFFAOYSA-N	360.487	3.205	30	40	FGEB	
N#Cc1c(F)cccc1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	54124364	MNEZVXNJTJWKNV-OAHLLOKOSA-N	352.413	3.011	30	40	FGEB	
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1(O)C(=O)CO	118917950	QREPSQOWKKIPJJ-WIYVELFVSA-N	360.494	3.057	30	40	FGEB	
C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c2nc(C)nn12	14093180	IOIOOUVRVQJOME-UHFFFAOYSA-N	355.467	3.103	30	40	FGEB	
CN(Cc1ccc(Br)cc1)C(=O)COc1ccc(C#N)cc1	14197636	BMZVCKSWZKWIQB-UHFFFAOYSA-N	359.223	3.358	30	40	FGEB	
C[C@@H]1CCCN(Cc2csc(NC(=O)COc3ccccc3C#N)n2)C1	14141721	SBDIPLROZQXLNB-CQSZACIVSA-N	370.478	3.264	30	40	FGEB	
CCOc1cc(/C=N/N=C(\S)Nc2ccccc2)cc([N+](=O)[O-])c1O	6710508	WHWHXFCEULHJGQ-LICLKQGHSA-N	360.395	3.431	30	40	FGEB	
COc1ccccc1/C=C/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2	9359334	MPZOEFUTPCPWLC-SPJXWURQSA-N	366.450	3.002	30	40	FGEB	
C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)C1CC1	7017588	FBFGSQSFTYXCBD-DNVCBOLYSA-N	354.479	3.242	30	40	FGEB	
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1O	408929706	MTQUGKHTQRWEFR-KTWKVWFASA-N	371.256	3.085	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O	409126473	OJEHIITUFRYZMP-XNTDXEJSSA-N	352.346	3.032	30	40	FGEB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	218519350	CLMHGDADCKOMCX-SLFFLAALSA-N	353.443	3.206	30	40	FGEB	
COc1ccc(C2(C(=O)Nc3ccc(OC)cc3C#N)CCOCC2)cc1	225781416	DVINLPUWYMOTDR-UHFFFAOYSA-N	366.417	3.262	30	40	FGEB	
CC(C)Oc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1	5451691	PLNSGKCEZOWXHB-OAHLLOKOSA-N	352.438	3.473	30	40	FGEB	
CCN(CC)c1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)c(O)c1	19419366	PVHZCSHYFDXMFE-QJOMJCCJSA-N	366.509	3.390	30	40	FGEB	
COCc1cc(C)nc(N/N=C\c2cc([N+](=O)[O-])ccc2Cl)c1C#N	5587400	MOQGNBONBGZUEY-UWVJOHFNSA-N	359.773	3.416	30	40	FGEB	
C[C@@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2)CC1(Cl)Cl	3270227	QHKUQGBFJJRZOQ-AWEZNQCLSA-N	356.278	3.392	30	40	FGEB	
CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(Cc2ccccc2C#N)C1	2055754572	BMBOWUJHDOPORE-QFIPXVFZSA-N	362.477	3.093	30	40	FGEB	
N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(Cc4cccs4)C3)no2)cc1	44214002	ZWDRHEWAIMRZSC-CQSZACIVSA-N	350.403	3.186	30	40	FGEB	
N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4cccs4)C3)no2)c1	44214013	MVECFDOZTCCSTF-AWEZNQCLSA-N	350.403	3.186	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccncc2)/C1=C(\O)c1ccccc1	102533415	ZVBFRJVAMQRHMX-WOOAAIBNSA-N	371.396	3.099	30	40	FGEB	
COc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)c3C#N)C2=O)cc1	778157	XZFGAHCCRVGBDU-INIZCTEOSA-N	367.430	3.003	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@H]1c1cccn1C	78971449	HYJGKCTZEGZVMD-KRWDZBQOSA-N	353.422	3.038	30	40	FGEB	
N#Cc1cc2c(nc1[S@@](=O)Cc1nc3ccccc3[nH]1)CCCCC2	6414354	ZZPIXNGZMICURJ-RUZDIDTESA-N	350.447	3.406	30	40	FGEB	
COC(=O)C1=C(C)N(c2ccc(C#N)cc2)C(=O)N[C@H]1c1cccc(C#N)c1	11561937	OKRITZSNXVQAQX-IBGZPJMESA-N	372.384	3.148	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C(\O)c2ccn(-c3ccc(F)cc3)n2)cc1	48422889	VGMRJVGAJLFWHK-UHFFFAOYSA-N	359.382	3.013	30	40	FGEB	
O=S(=O)(N/N=C\c1ccc(N2CCCC2)o1)c1ccc2ccccc2c1	408853266	MSWHPQMSRJGMKJ-ZHZULCJRSA-N	369.446	3.345	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(O)c1	49551129	XZXIDNPMSVSXSH-KRWDZBQOSA-N	367.405	3.033	30	40	FGEB	
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(CCC#N)c1ccccc1	6097836	PMXBKCNSXWKRRR-HNNXBMFYSA-N	369.494	3.432	30	40	FGEB	
O=C(O)COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)cc1	8078462	SDFJKTWNKWJCGB-LZCJLJQNSA-N	374.776	3.471	30	40	FGEB	
CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	216769072	ZNRMRZVVCVNUFC-NRFANRHFSA-N	359.433	3.296	30	40	FGEB	
N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1	610182838	ARXMJPVDLUOGOA-INIZCTEOSA-N	353.809	3.137	30	40	FGEB	
N#Cc1ccnc(N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)c1	1776000609	ARAQWYGSRWCJSY-UHFFFAOYSA-N	357.417	3.018	30	40	FGEB	
CCC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O	100162986	ROSACZVAPBIXQQ-ZQHZRZASSA-N	358.438	3.092	30	40	FGEB	
Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C#N)cc1	5530512	BUAXFNYLTUQLFS-UHFFFAOYSA-N	363.446	3.008	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Br)s2)cc1	6275414	FJSFJFIQBLDXJO-RIYZIHGNSA-N	359.270	3.131	30	40	FGEB	
C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N(C)C1(C#N)CCCCC1	57756087	WLSOBPWMSSNCCB-HNNXBMFYSA-N	357.454	3.333	30	40	FGEB	
C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@@H]1C2	59200519	XXKNHBAFFJINCK-XIGQBBENSA-N	358.434	3.443	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H](C)CC)nc2cc(Cl)ccc2c1=O	3427595	ZPGFXNSDPDWIRO-LLVKDONJSA-N	365.886	3.243	30	40	FGEB	
C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](OC=O)c1ccnc2ccc(OC)cc12	5048337	OITUCHBJLHBKMP-YQMDMEMYSA-N	352.434	3.354	30	40	FGEB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC#N)c1	5040073	YFEXMUXPRXUHRS-UHFFFAOYSA-N	351.337	3.367	30	40	FGEB	
CCCCCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C	98048365	QHHMRTREJQFKLO-UHFFFAOYSA-N	355.500	3.365	30	40	FGEB	
COC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC	408879953	HYVTVYCEBMIPNF-WOJGMQOQSA-N	359.407	3.161	30	40	FGEB	
N#Cc1c(N)nc2c(C(=O)c3ccc(Cl)cc3)n3ccccc3c2c1N	257173833	YRCCDSROAHCPDE-UHFFFAOYSA-N	361.792	3.408	30	40	FGEB	
CC(=O)C1=CC[C@@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C	1569999105	XFTWQKLXXOBFBZ-BGFRVYROSA-N	362.416	3.431	30	40	FGEB	
Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)n1	32086684	URJSAMMCGVQLTQ-UHFFFAOYSA-N	352.419	3.162	30	40	FGEB	
COc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(C)C2=O)c1	101419136	ZCGBZLJGKHITHM-YGCDDZCOSA-N	369.446	3.285	30	40	FGEB	
Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1	47469675	RUPWBMAKJMDRFD-UHFFFAOYSA-N	351.410	3.086	30	40	FGEB	
C#CCN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21	915188	KFANZVMLEOEDDT-QHCPKHFHSA-N	355.393	3.280	30	40	FGEB	
N#CCc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1	97090172	IOZFSSLRQJSNLD-INIZCTEOSA-N	353.447	3.448	30	40	FGEB	
COc1ccc(-c2n[nH]c(=S)n2/N=C\c2ccc(O)c(OC)c2)cc1	51376674	LLVALXGAPFYBOI-ZDLGFXPLSA-N	356.407	3.213	30	40	FGEB	
N#Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1	3423135	ZDHNCZIMIIWILA-UHFFFAOYSA-N	373.178	3.400	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@@H]1c1ccco1	5349011	UAGKEPVJMSTWGP-OAHLLOKOSA-N	362.345	3.365	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(OCC3CC3)cc2)cc1	65764381	XWNLPWVPOYYVKY-UHFFFAOYSA-N	356.403	3.041	30	40	FGEB	
CO/N=C(/C(=O)Sc1nc2ccccc2s1)c1cnc(N)s1	21989026	YBXWNXPFJGEXCK-LICLKQGHSA-N	350.450	3.004	30	40	FGEB	
COc1cccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1	408801104	SVQIXVUKJUTSJP-ZWAQGKOVSA-N	368.433	3.120	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C#N)[C@@H]3C2=O)cc1C	16033726	SBYZGZPMKFVJRF-IVAOSVALSA-N	369.424	3.342	30	40	FGEB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccccc1	408743646	WMRUMJUTLWSJEB-LEBHLANCSA-N	357.822	3.106	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2OC)cc1	66091546	MTOYTMBGKOEARK-GOSISDBHSA-N	353.374	3.193	30	40	FGEB	
Cc1ccccc1CN1C[C@@H](c2noc(-c3cccc(C#N)c3)n2)CC1=O	44214042	QKDSBZXDAYYWLK-SFHVURJKSA-N	358.401	3.433	30	40	FGEB	
C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225021763	DAWFXUZZXGMCPH-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
Cc1cccc(S(=O)(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)c1C#N	246257341	KMBYVGSUTALDRP-CZUORRHYSA-N	362.476	3.079	30	40	FGEB	
N#C[C@@]1(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCSC1	586762951	YWCOBZWFSRIYOU-HNNXBMFYSA-N	366.368	3.020	30	40	FGEB	
CCO[C@@H]1C[C@@H](Nc2ccc(Br)cc2C#N)[C@]12CCCO2	612664577	ZHBZNDJWZLICPP-BZUAXINKSA-N	351.244	3.459	30	40	FGEB	
CC(C)(C)c1ccc(=O)n(C2CCN(Cc3ccc(C#N)cc3)CC2)n1	1775995307	MZGARWBRUHXJKE-UHFFFAOYSA-N	350.466	3.250	30	40	FGEB	
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CC2)c1	6085421	QXIOVAGBKRBCAY-UHFFFAOYSA-N	351.431	3.181	30	40	FGEB	
C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1	40039017	HNMZGCLBGOEHSD-IBGZPJMESA-N	370.474	3.128	30	40	FGEB	
COc1ccc([C@@H](CNCc2ccc(N(C)CCC#N)cc2)N(C)C)cc1	22799111	KRISOHOVDKFLKX-JOCHJYFZSA-N	366.509	3.438	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1	55540904	YPWLRFYSYQPVEZ-LJQANCHMSA-N	367.424	3.299	30	40	FGEB	
Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccs2)s1	102738433	SZIDPTDDMRHOKT-RVROTUBLSA-N	373.415	3.127	30	40	FGEB	
COc1ccccc1NC(=O)CS/C(=N/C#N)Nc1cccc(F)c1	6166133	WIFOAFRKIZYVIS-UHFFFAOYSA-N	358.398	3.455	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2	4777000	MJLMDQNKLHCSKQ-HNNXBMFYSA-N	371.422	3.320	30	40	FGEB	
C=CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	8316787	WSDQQSDXOGHMPQ-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(CC)s2)C1=O	409088727	XRPRDXFYEBVRSR-XFXZXTDPSA-N	365.476	3.268	30	40	FGEB	
CC/N=C1/S/C(=C/c2cc(OC)c(OC)cc2OC)C(=O)N1CC	408931129	HNYWYGCKWWOINU-HENYTUMCSA-N	350.440	3.025	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OCC#N)cc3)C2=O)s1	136551556	LQQDGPYTTZNIJU-CJTIDNFOSA-N	370.459	3.421	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2cccc(Cl)c21	46084692	HTHGBPJURWNASD-SILNSSARSA-N	360.797	3.343	30	40	FGEB	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)c2ccccc21	97993476	LWDBVZOWSASZOZ-XFFZJAGNSA-N	363.778	3.302	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c(F)c1	35324593	AUFCCSSKYGCUAF-QPJJXVBHSA-N	360.337	3.476	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2cccc(O)c2)no1	9244157	BRVPBGFMRDYNPT-MRXNPFEDSA-N	366.329	3.065	30	40	FGEB	
C=CCNC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	6547881	QIGMAUSUXHKBGX-UHFFFAOYSA-N	355.234	3.183	30	40	FGEB	
C=CCn1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c2ccccc21	409098067	JZPLHOYKXWKCLS-HMHNVIDESA-N	370.430	3.425	30	40	FGEB	
CC(=O)c1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1	409405587	HYXURPRKSGXKBD-CPLUKWAASA-N	374.396	3.290	30	40	FGEB	
Cc1ccc(Cl)cc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	408742798	YFWWRBKOVFKYIL-ANKPHQHTSA-N	371.849	3.415	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(N(CC)CC)c(Br)c1	33737211	QTEGTRPSDJSKAY-LICLKQGHSA-N	357.321	3.113	30	40	FGEB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1	409186629	FTGWKULCCNKZDQ-NDENLUEZSA-N	371.462	3.338	30	40	FGEB	
C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1sccc1C#N	9835896	YDBRESUDODCDBE-SSDOTTSWSA-N	361.477	3.326	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1	85409685	IEGVKZUFGVNYDF-SFHVURJKSA-N	366.417	3.005	30	40	FGEB	
N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@@H]1c1ccc(Cl)cc1	20792779	DHEJAQLOPUNKRK-OTWHNJEPSA-N	374.831	3.352	30	40	FGEB	
C=CCn1c(=O)c(C(=O)Nc2nnc(C(C)C)s2)c(O)c2ccccc21	100986913	NPTWFCQIXPNKMN-UHFFFAOYSA-N	370.434	3.120	30	40	FGEB	
CCOc1ccc(C2=C(C(=O)CC)Sc3nncn3N2C(=O)CC)cc1	4518296	GXZJJQLCVUNKKW-UHFFFAOYSA-N	372.450	3.005	30	40	FGEB	
CC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(C)=O)n2cnnc2S1	4518317	CXLZEQYRFLDEAM-UHFFFAOYSA-N	369.233	3.133	30	40	FGEB	
CC1(C)[C@@H]2CC[C@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	100931937	WFBKWPMTSJTYDR-SPLOXXLWSA-N	363.465	3.214	30	40	FGEB	
C=CCn1c(C)c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21	409404023	BLBBMVXMIKQJBR-HZVDNRATSA-N	359.429	3.277	30	40	FGEB	
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1	4782826	MZBPLADCEVQJKL-YJYMSZOUSA-N	362.389	3.295	30	40	FGEB	
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccccc2OC)s1	5783958	JGPASMDNGJDXLY-JTQLQIEISA-N	350.469	3.264	30	40	FGEB	
C=CCn1c(C)nnc1SCc1cc(=O)oc2cc(O)c(CC)cc12	6909815	URRGNJORRFJZNS-UHFFFAOYSA-N	357.435	3.439	30	40	FGEB	
C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	8316814	QOJRMQKZZZAPNH-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCC2	9753588	JLCLTPMXHDHFSU-INIZCTEOSA-N	354.479	3.223	30	40	FGEB	
Cc1cc(C(=O)Cn2cnc(C#N)c2C#N)c(C)n1Cc1ccc(F)cc1	95997503	QFSSMCOXLUGIJZ-UHFFFAOYSA-N	361.380	3.115	30	40	FGEB	
COc1ccc(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1OC	35334740	NYGCZTCOILAIBG-MTJSOVHGSA-N	373.522	3.471	30	40	FGEB	
N#CC1(C(=O)N2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)CCCC1	1614927918	GBKMQOAKFFWARY-NRFANRHFSA-N	351.450	3.116	30	40	FGEB	
N#Cc1cccc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)c1	24963835	OGBABBSPPVJZCE-IBGZPJMESA-N	374.396	3.236	30	40	FGEB	
C[C@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	100975038	SDVPVSFRDKOVCI-QIVXWBPLSA-N	352.481	3.028	30	40	FGEB	
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1	14199055	MPQWVXHIWIHTNE-SFHVURJKSA-N	359.351	3.127	30	40	FGEB	
Cn1c2ccccc2n2c(=O)c(NC(=O)c3ccc(F)cc3)cc(C#N)c12	6651906	VNALPCHRMWMBON-UHFFFAOYSA-N	360.348	3.054	30	40	FGEB	
N#Cc1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1	14815490	KCRLLYGSZYNXTO-HNNXBMFYSA-N	366.425	3.168	30	40	FGEB	
COc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC(C)(C)C	409406402	QMTURAHSZODJKP-MGBSGCIJSA-N	368.433	3.014	30	40	FGEB	
N#Cc1cc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)ccc1Cl	97379300	CZFMMCJXTXWIPC-UHFFFAOYSA-N	360.782	3.062	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31	222346074	RYZNRFOSCDAQJF-FMVSWTCFSA-N	372.424	3.235	30	40	FGEB	
Cc1ccc(C/N=C(/O)C2CCN(c3ccc4nc(C)nn4n3)CC2)cc1	329396162	UHUKLXVCPXGGEQ-UHFFFAOYSA-N	364.453	3.114	30	40	FGEB	
C=CCOc1ccccc1[C@@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC=C(C)[C@@H](O)[C@@H]2O1	257288738	PVKWSLABPVVXKJ-SGCGGLILSA-N	371.477	3.303	30	40	FGEB	
N#C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1	16523788	UUXPJKLUAYRPQV-GFCCVEGCSA-N	358.188	3.459	30	40	FGEB	
CCc1nn(C)c(OC)c1CNCc1ccc(C#N)cc1C(F)(F)F	579412232	MFJUSVROCCKWEJ-UHFFFAOYSA-N	352.360	3.171	30	40	FGEB	
CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2ccccc2C#N)C1	2055754571	BMBOWUJHDOPORE-JOCHJYFZSA-N	362.477	3.093	30	40	FGEB	
CCCCNC(=S)N(C)/N=C/c1c(C)nn(Cc2ccccc2)c1C	40161298	FYYODUBZOROCKO-FYJGNVAPSA-N	357.527	3.489	30	40	FGEB	
CCOc1ccc(C(=O)OCc2cn3ccccc3c2C#N)cc1[N+](=O)[O-]	32898840	ODNDEPPENBLOMM-UHFFFAOYSA-N	365.345	3.475	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(C(C)C)cc1	847093	JJBYJJPSWIXASW-IBGZPJMESA-N	367.449	3.381	30	40	FGEB	
C=CCNC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1	3279979	VSLGZDYYBYENEA-UHFFFAOYSA-N	365.385	3.471	30	40	FGEB	
C=CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1	2523462	JPZJSBIOGCUQDL-UHFFFAOYSA-N	352.415	3.450	30	40	FGEB	
C=CCn1c(C)cc(C(=O)CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)c1C	14170497	DGGYAMHPBYQEOK-MRXNPFEDSA-N	365.433	3.331	30	40	FGEB	
O=[N+]([O-])c1ccc(Cl)c(/C=N/n2c(S)nnc2-c2ccncc2)c1	15987609	BXBCXXVNSZKXCV-CAOOACKPSA-N	360.786	3.073	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N(C)[C@H]1CCCc2ccccc21	8335372	FQUIFELGVISDNP-SFHVURJKSA-N	350.418	3.482	30	40	FGEB	
CCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1Br	409346754	LFXMKDVIOLMDFK-VIZOYTHASA-N	373.297	3.432	30	40	FGEB	
N#Cc1ccc(C2(NC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)CCC2)cc1	600087208	IMRUANVMRWNEOR-LJQANCHMSA-N	373.456	3.216	30	40	FGEB	
CC(=O)C1=C(C)Nc2nc(N3CCCCC3)nc(N)c2[C@H]1c1ccccc1	13637613	DZZPYMKRJIAKTB-KRWDZBQOSA-N	363.465	3.470	30	40	FGEB	
O=C(Nc1cccc2cccnc12)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F	4175669	IGDWNIUDPRUUSB-ZHZWZMEUSA-N	363.339	3.283	30	40	FGEB	
COc1c(/C=C/C(=O)c2ccc(O)cc2)ccc2c1C[C@H](C(C)(C)O)O2	33832261	FMKHMNBODOXQLQ-ZAOIQFLMSA-N	354.402	3.371	30	40	FGEB	endogenous,in-man
Cc1cc(C)c(C(=O)OCC(=O)N(CCC#N)Cc2ccco2)c(C)c1	32745234	VSMWPWYALOTTTK-UHFFFAOYSA-N	354.406	3.304	30	40	FGEB	
N#Cc1nc(C2CC2)oc1N1CCN(c2nc3ccccc3s2)CC1	32827770	JVVBYFASSNQFOY-UHFFFAOYSA-N	351.435	3.360	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N1CCCC[C@@H]1c1cccn1C	78971455	HYJGKCTZEGZVMD-QGZVFWFLSA-N	353.422	3.038	30	40	FGEB	
CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C1CC1	1364683	UIDLYRQOESQTOF-UHFFFAOYSA-N	361.496	3.456	30	40	FGEB	
N#CCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1	26502415	IZBBHHVATMUDNP-UHFFFAOYSA-N	361.195	3.369	30	40	FGEB	
N#CC1(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)CCCCC1	95460255	JFXWRLMMSYJLRC-UHFFFAOYSA-N	369.509	3.294	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CO)[C@@H]2c1ccco1	9344545	UIFFGIYWJHREKL-HXUWFJFHSA-N	366.417	3.415	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(C)nn(CC)c1C	5728155	NFTAZBARYWGYEJ-LJQANCHMSA-N	357.454	3.051	30	40	FGEB	
CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1	5825157	NBFLXMDWICBNDH-CVEARBPZSA-N	365.481	3.390	30	40	FGEB	
C=CCN(CC=C)C(=O)CSc1nnc2c3ccccc3n(CC)c2n1	7781956	QNUZIBPIMARPKQ-UHFFFAOYSA-N	367.478	3.292	30	40	FGEB	
CCOc1cc(/C=N\Nc2nc3ccccc3s2)ccc1OCC(N)=O	409214637	YVTZUIKYBXWOBD-JMIUGGIZSA-N	370.434	3.005	30	40	FGEB	
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225022050	FWUWAPINHPRYMQ-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc2ncccc2c1	96249951	FSDOJDMOPZEXAH-DFQSSKMNSA-N	352.434	3.057	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252515477	KHUFKDXTQUJARO-QWFCFKBJSA-N	369.442	3.008	30	40	FGEB	
C=CCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1cccc2ccccc12	986627	ZADIRQHJOZNTLD-SLNYWTKHSA-N	367.474	3.484	30	40	FGEB	
C=CCNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O	2809806	HXPSTHCELMLOIQ-UHFFFAOYSA-N	364.445	3.217	30	40	FGEB	
C=CCc1cccc2cc(C(=O)Nc3ccc(CC(=O)O)cc3)c(=O)oc12	1075042	NBGQYJMBCSSFDL-UHFFFAOYSA-N	363.369	3.401	30	40	FGEB	
C=CCn1c(C)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21	104542668	BLBBMVXMIKQJBR-NAMSLIHLSA-N	359.429	3.277	30	40	FGEB	
C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1	55855405	UDUUNULCAXVUDE-NHCUHLMSSA-N	351.425	3.313	30	40	FGEB	
O=S(=O)(NCC/N=C/c1ccc(Cl)cc1Cl)c1ccccc1	9226768	XJAGZMRIEZILMM-WOJGMQOQSA-N	357.262	3.391	30	40	FGEB	
CC(C)Oc1ccc(/C=N/N2C(=O)CSC2=S)cc1Br	409346576	NFBJZNROYZVLBH-GIDUJCDVSA-N	373.297	3.431	30	40	FGEB	
C[C@H](Oc1cccc(C#N)c1)/C(O)=N/S(=O)(=O)c1ccc(Cl)s1	67893348	XQGDDCMWEQRYNW-VIFPVBQESA-N	370.839	3.386	30	40	FGEB	
COc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)O	409177584	ANBRZUIXVAPYFX-UFWORHAWSA-N	374.784	3.134	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1	409011821	ISNHMTLIUQAKDM-DQAKUKQTSA-N	357.362	3.084	30	40	FGEB	
N#Cc1ccccc1N1CCCN(CC(=O)Nc2ccccc2Cl)CC1	48375172	KHWLWJSPVPTMHG-UHFFFAOYSA-N	368.868	3.362	30	40	FGEB	
COC(=O)c1ccc(/C=N/O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	32957781	UXXNTGHJCDJYEA-FOCYVMGBSA-N	366.417	3.190	30	40	FGEB	
COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)C3=C(CC(C)(C)CC3=O)N1CC2	4027520	QPTNZZKQMQPSHW-WXUSHSQQSA-N	370.449	3.480	30	40	FGEB	biogenic
COc1cccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1	14608168	JTOZMTOMMYRAJF-DJJJIMSYSA-N	362.389	3.295	30	40	FGEB	
CN(CCC#N)C(=O)CSc1nc2ccccc2n1-c1ccccc1	4829464	PXCRLPPMILAZMZ-UHFFFAOYSA-N	350.447	3.490	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc(O)cc1)Nc1nonc1N2	12390239	LTQNTTATCWNBHZ-GTNSWQLSSA-N	364.361	3.348	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(F)cccc2F)s1	32891705	ZHALBTZVMXDSCM-UHFFFAOYSA-N	374.394	3.129	30	40	FGEB	
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](Cc2ccc(F)cc2)C1	77392888	VEBLBKNOARRMGY-QGZVFWFLSA-N	358.438	3.259	30	40	FGEB	
COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)ccc1O	8690379	STMOTPQPVIMOQV-QGZVFWFLSA-N	354.431	3.077	30	40	FGEB	
C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3cccc(C)n3)C2)CC1	108533362	TWBOIFJAYUQIGF-UHFFFAOYSA-N	355.482	3.087	30	40	FGEB	
C=CCN1C(=O)N[C@H](c2cccs2)C(C(=O)Nc2cc(C)on2)=C1C	10354333	ALHYIGNBVGZYGC-OAHLLOKOSA-N	358.423	3.210	30	40	FGEB	
Cc1ccccc1/C=C/c1nc(SCC(=O)NC2(C#N)CCCC2)n[nH]1	12846186	AXSIPBAKMOWFRL-CMDGGOBGSA-N	367.478	3.328	30	40	FGEB	
COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N3)cc1	6732470	GRMXMLBMESGKQV-IBGZPJMESA-N	373.416	3.371	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2CCCC2)n(Cc2ccc(F)cc2)c1C	8142189	HATXVKZRNVXIIE-UHFFFAOYSA-N	354.429	3.198	30	40	FGEB	
COc1ccc(-c2c[n+](CC(=O)Nc3cccc(F)c3)c3n2CCC3)cc1	16956803	NHPUXBIQOYPVJZ-UHFFFAOYSA-O	366.416	3.175	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OCC	408729146	XYFZUUDDVMITRH-KCMREXPUSA-N	368.433	3.015	30	40	FGEB	
CC(=O)[C@]12O[C@@H]1C[C@H]1[C@@H]3C[C@@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	118936711	IUQJWMVFSCOAHF-VBWMJIFMSA-N	362.510	3.087	30	40	FGEB	
N#C[C@H](C(=O)c1cccc(Cl)c1)c1nnnn1-c1ccc(Cl)cc1	16398782	QGQQQDJVQOPKRD-CQSZACIVSA-N	358.188	3.459	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1	21930065	FIGQQJBQSYIPSX-UHFFFAOYSA-N	371.462	3.493	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cc(C)nn2C)cc(Br)c1O	6922175	VROZBMIKBWFIRI-SNAWJCMRSA-N	351.200	3.101	30	40	FGEB	
C=CCN1CC[C@@]2(CN(Cc3ccsc3)C[C@H]2c2nccs2)C1=O	306132210	LBQBSXUCINBZNW-YJBOKZPZSA-N	359.520	3.209	30	40	FGEB	
Cc1cc(N2CCCC2)c(C)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	409407214	LUTGCEYOPVNVBH-CPLUKWAASA-N	363.461	3.045	30	40	FGEB	
COc1ccc(CC(=O)N2CCS/C2=N\CCc2ccccc2)cc1	6784787	DXYHWKQLWHOJAM-MRCUWXFGSA-N	354.475	3.412	30	40	FGEB	
C/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccc(O)c(O)c1O	15911320	LEJMDEGVSNUTAZ-KTLADEEOSA-N	369.446	3.363	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccnc1	8471614	GARGVAZNFZKRCO-ZBFHGGJFSA-N	371.510	3.313	30	40	FGEB	
C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccccc1	8748466	FFZJRXBQASNNGE-INIZCTEOSA-N	350.447	3.450	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)C=O)cc1	218485522	VPNHDICAGDPECL-SQNIBIBYSA-N	359.834	3.297	30	40	FGEB	
CCCCCn1c(C#N)cc(N)c1N1CCN(Cc2ccccc2)CC1	225871920	DMJCLKNHFHCDBR-UHFFFAOYSA-N	351.498	3.454	30	40	FGEB	
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)c(OC)c1OC	19857675	CKBKPOBGNHSRAC-UHFFFAOYSA-N	353.422	3.497	30	40	FGEB	
CC(C)(C)c1ccc(-c2nc(C#N)c(NCCN3CCOCC3)o2)cc1	20389929	INOURSLCXPGWDW-UHFFFAOYSA-N	354.454	3.255	30	40	FGEB	
CCc1nnc(/N=C(\O)CN(C)CCOc2ccc(Cl)cc2)s1	24529328	OGJKWARMJKRJBC-UHFFFAOYSA-N	354.863	3.353	30	40	FGEB	
COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1	1426956	KXQUQPBMDPVKFW-OAHLLOKOSA-N	372.465	3.140	30	40	FGEB	
CC(C)Cc1nc(C#N)c(NC[C@H](c2cccs2)N2CCOCC2)o1	27794095	OSJAOFFGSOLGHC-OAHLLOKOSA-N	360.483	3.292	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1Cl)N(C)C	12910243	OTFIGKICQTVGKJ-IFXJQAMLSA-N	371.868	3.398	30	40	FGEB	
N#Cc1ccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(Cl)c1	8252199	DNWYEFXEXKTQGO-UHFFFAOYSA-N	357.797	3.037	30	40	FGEB	
COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	44027704	MHFRPJWEYNNZBV-FPYGCLRLSA-N	373.361	3.230	30	40	FGEB	
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCc4ccccc43)C2)n1	81808611	MOYMQNBXVMCTSF-IBGZPJMESA-N	360.461	3.458	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)/C(C)=C/[C@H](C)C(=O)/C=C/[C@]1(C)O	253390399	BIGBTKXKWUHWLH-JRJQZFNCSA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC	13147262	POUYHGGAOYKPBF-BMOWLENRSA-N	373.400	3.374	30	40	FGEB	
O=C1CSC(=S)N1/N=C/c1c[nH]c2ccc(Br)cc12	16925873	IEDJIGQFRWFTAK-PJQLUOCWSA-N	354.254	3.125	30	40	FGEB	
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O	6074098	OGFAYYQBZGNSSO-LSCVHKIXSA-N	352.342	3.308	30	40	FGEB	biogenic
COc1ccnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C#N	1401473	PLYYJPHSBHOHLU-UHFFFAOYSA-N	362.355	3.307	30	40	FGEB	
C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc2c(c1)OCO2	12660964	NRGZKTMCXMSPQP-DPELKRARSA-N	355.394	3.497	30	40	FGEB	
CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C#N)cc1	48280096	IGWNZOLQTXUXAE-HXUWFJFHSA-N	363.465	3.472	30	40	FGEB	
N#Cc1ccc(NC(=O)CSc2nncn2CCc2cccs2)cc1	11105384	XUVGBJPGJNKWJG-UHFFFAOYSA-N	369.475	3.185	30	40	FGEB	
CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2	13764505	YQHMCKXTDNRXBJ-UHFFFAOYSA-N	374.554	3.449	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1	4863625	JADXIQMDAAPRIP-GZTJUZNOSA-N	359.363	3.044	30	40	FGEB	
C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1OC	8231537	SOKGKAUVKSROBW-AWEZNQCLSA-N	361.438	3.254	30	40	FGEB	
COc1ccc(Cl)c(S(=O)(=O)Nc2c(C#N)ccc(F)c2F)c1	95944155	JFXDKEORNSKIPJ-UHFFFAOYSA-N	358.753	3.299	30	40	FGEB	
N#Cc1c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cn2ccccc12	57378967	MIHMLOHRSYZQET-UHFFFAOYSA-N	361.405	3.041	30	40	FGEB	
COc1ccc(/C=N\N=C2\S[C@@H](C)C(=O)N2Cc2ccco2)c(OC)c1	9189573	CZYKRHNTVYQSHZ-SMJZRYTCSA-N	373.434	3.151	30	40	FGEB	
CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1	4812564	OVQIEXVCGCSBBW-OAHLLOKOSA-N	351.454	3.144	30	40	FGEB	
C[C@H](c1ccccc1)n1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O	5863420	VJDQCHRLRDLHPZ-CYBMUJFWSA-N	362.360	3.405	30	40	FGEB	
Cn1cc(/C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)c2ccccc21	9422388	SKTBRCXGJAYOFY-GIJQJNRQSA-N	369.398	3.133	30	40	FGEB	
CCOc1cccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)c1	18142578	NIZDVCBJBGFHDA-INIZCTEOSA-N	369.446	3.333	30	40	FGEB	
CC(=O)N1CCCCC[C@H]1C1CCN(CCOc2cccc(C#N)c2)CC1	72273496	OAQHGBVOQUPMAO-QFIPXVFZSA-N	369.509	3.440	30	40	FGEB	
C(=N/Nc1ccccn1)\c1sc(N2CCOCC2)nc1-c1ccccc1	89851077	CIIAJMJGJCBCMK-KGENOOAVSA-N	365.462	3.488	30	40	FGEB	
COc1ccccc1CN/N=C/c1cc(Br)c(O)c(OC)c1	20761426	ABOSHBNQMHLSSQ-GIJQJNRQSA-N	365.227	3.296	30	40	FGEB	
CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(N)=O)c12	409136467	USLHWLCFWUUKJG-UHFFFAOYSA-N	358.397	3.152	30	40	FGEB	
CCOc1cc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)ccc1O	873341	MTMBBEZFVVFERB-DJKKODMXSA-N	357.435	3.370	30	40	FGEB	
C=CCn1c(SCC(=O)NC2CCCC2)nc2sc(C)cc2c1=O	5017297	XBYZZWDMVPEDEQ-UHFFFAOYSA-N	363.508	3.103	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1CC1CCN(c2ccc(C#N)cc2)CC1	2086868946	GOYGVYLNFMGJFN-UHFFFAOYSA-N	358.445	3.493	30	40	FGEB	
CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccncc1	5312344	ZHPNSXLATOMWLB-UHFFFAOYSA-N	370.463	3.024	30	40	FGEB	
COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	218362068	RFLKWMVSTSCAJK-UFYCRDLUSA-N	355.459	3.400	30	40	FGEB	
N#Cc1ccc(N2CCC[C@@H](N3CCC=C(c4cccnc4)C3)C2=O)cc1	329596256	PEFSHZWPWOCQIL-OAQYLSRUSA-N	358.445	3.238	30	40	FGEB	
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	223730644	LPBUOUPYOJQEKB-UHFFFAOYSA-N	374.462	3.031	30	40	FGEB	
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1	1776007478	FTYMNZBAXCWWPI-GOEBONIOSA-N	370.258	3.020	30	40	FGEB	
Cc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O	13815662	AODYTJVTQOPFMK-UNOMPAQXSA-N	351.402	3.149	30	40	FGEB	
CCOC(=O)/C(Cc1cc(=O)n(C)c2ccccc12)=N\Nc1ccccc1	4983715	YDHXEDKCVVJCLO-NKFKGCMQSA-N	363.417	3.112	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2CCCC[C@H]2C)n(Cc2ccco2)c1C	6881222	AEUONXWNOMGFJF-CQSZACIVSA-N	354.454	3.431	30	40	FGEB	
C=C(CS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	35670685	LOICMLRZBSGTAS-UHFFFAOYSA-N	350.461	3.065	30	40	FGEB	
Cc1cc(C(=O)OCCOc2ccc(C#N)cc2)c2cnn(C(C)C)c2n1	10207425	YHCSJSLOEPCDNL-UHFFFAOYSA-N	364.405	3.428	30	40	FGEB	
CCCCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C	2268018	BSTLEFZTWKAOJY-UHFFFAOYSA-N	363.506	3.020	30	40	FGEB	biogenic
COc1cc(/C=N/NC(=S)Nc2c(C)cccc2C)cc([N+](=O)[O-])c1O	36321445	ILLPUWRJFUHZGP-GIJQJNRQSA-N	374.422	3.246	30	40	FGEB	
C=CCc1c(C)nc(SCC(=O)Nc2cccc(Cl)c2C)[nH]c1=O	5625811	GUEYPWCPEQPIRL-UHFFFAOYSA-N	363.870	3.499	30	40	FGEB	
C[C@@](C#N)(NC(=O)COc1ccc(Cl)cc1Br)C1CC1	7031791	MRJPAMRNEUCEEE-AWEZNQCLSA-N	357.635	3.290	30	40	FGEB	
CC1=NN(C(=O)COc2ccc(C#N)cc2)[C@@](O)(c2ccc(Cl)cc2)C1	408564288	XYGBUVLKDSYJNG-IBGZPJMESA-N	369.808	3.044	30	40	FGEB	
CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1	17242631	OZUFKUTXMDGQAZ-OBAOGOGRSA-N	357.410	3.416	30	40	FGEB	
N#CCCSc1ccccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1	95953472	AJKOXVSHJYUBKD-MRXNPFEDSA-N	352.415	3.413	30	40	FGEB	
COc1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)c(OC)c1	408816097	SMNLJTMQCSVXSI-MTJSOVHGSA-N	356.422	3.358	30	40	FGEB	
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	224999691	GMVPZBQSKGHUMH-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)O)ccc3C2=O)c(OC)c1	12884281	LPTIRTCZGPDKLY-LJZVVVFJSA-N	370.357	3.172	30	40	FGEB	biogenic
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC(=O)[C@@]3(C)[C@H]1C2	253407525	WNQOWPFARWIGAD-FBGZVIRMSA-N	362.466	3.147	30	40	FGEB	biogenic,in-vitro
COc1ccc(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc1F	1775970402	AQFUJDGPTMVWSO-OAHLLOKOSA-N	369.396	3.032	30	40	FGEB	
N#Cc1cccnc1N1CCN(C(=O)CCCSc2ccccc2)CC1	23702794	LRTYYUQDPXANDT-UHFFFAOYSA-N	366.490	3.174	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1	20450687	SDOLRCIUVGSQIV-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1	20496219	PKWSBKTZLYLJFL-UHFFFAOYSA-N	355.266	3.189	30	40	FGEB	
COc1cc(/C=C2\CCS(=O)(=O)c3ccccc3C2=O)cc(OC)c1	58203158	CHNMQHKGNIGDSH-NTEUORMPSA-N	358.415	3.148	30	40	FGEB	
CCCCCCCC(=O)NS(=O)(=O)c1ccc(/N=N/N(C)C)cc1	2196819	ZIXPRDPABXKEJD-HTXNQAPBSA-N	354.476	3.412	30	40	FGEB	
CN1CCN(/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1	3356792	DURRUQAPJIFLTM-XSFVSMFZSA-N	351.479	3.182	30	40	FGEB	
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C#N)cc1	12888107	GNTGUEZLFFKPME-UHFFFAOYSA-N	364.380	3.056	30	40	FGEB	
C=CCS(=O)(=O)c1ccc(C)c(NCc2ccc(C(=O)OC)cc2)c1	8429457	XTIBWHWCKMRSFV-UHFFFAOYSA-N	359.447	3.353	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2)cc1	18322772	ZTOSEWOSJICMBF-GOSISDBHSA-N	350.374	3.134	30	40	FGEB	
O=[N+]([O-])c1ccc(N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)nc1	408750773	RMXPACUAPIRALZ-NVMNQCDNSA-N	369.293	3.310	30	40	FGEB	
C=CCN(Cc1cn2cc(C)ccc2n1)S(=O)(=O)c1ccc(OC)cc1	78239524	AMJXYRZSQODOMO-UHFFFAOYSA-N	371.462	3.028	30	40	FGEB	
CC(C)Oc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	408587013	DNLLVGFPNOJNFM-RQZCQDPDSA-N	360.326	3.442	30	40	FGEB	
C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(F)cc1	224916034	QLXXKKYIPGVDKS-UHFFFAOYSA-N	363.410	3.302	30	40	FGEB	
C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	225040070	OQGTZAGHEYVNRL-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224759362	WFPJNJLVGLHFSO-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1	599177417	TWWPICZWKKHDJA-SMDDNHRTSA-N	351.332	3.275	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@@]1(C)O	958317927	BIGBTKXKWUHWLH-HDCQOPJRSA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
COC(=O)c1ccccc1N/C=C(/C(=O)c1ccco1)C(=O)C(F)(F)F	100862324	UINBZAVJNOJIPD-LUAWRHEFSA-N	367.279	3.376	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1	6238892	CAYCZMKHAALMQG-SFHVURJKSA-N	367.401	3.007	30	40	FGEB	biogenic
N#CCn1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21	409376010	SBTYPQOHPWDFCP-VXLYETTFSA-N	364.321	3.427	30	40	FGEB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)n1cc(C#N)c2ccccc21	226362911	PZIYMJNNUJZGRX-UHFFFAOYSA-N	364.361	3.168	30	40	FGEB	
Cc1ccc(C(=O)O)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N	5009225	XRPNIBATQNFMLD-UHFFFAOYSA-N	365.414	3.020	30	40	FGEB	
N#CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3	6151118	WFSZJEHDSQNBGV-NSHDSACASA-N	361.492	3.131	30	40	FGEB	
Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	1098392	QUVAZGORKGQISZ-UFWORHAWSA-N	363.208	3.023	30	40	FGEB	aggregator
O=C1C(Br)=C(Br)C(=O)c2c(Cl)ccc(O)c21	1572734	QIXOWTMFFRFRIP-UHFFFAOYSA-N	366.392	3.426	30	40	FGEB	
C=CCNC(=O)COC(=O)c1ccccc1SCc1csc(C)n1	11596144	ACCKBRHPDQTVFX-UHFFFAOYSA-N	362.476	3.203	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	2641622	QHJANKBFWLYWGU-HNNXBMFYSA-N	364.452	3.351	30	40	FGEB	
C=CCn1c(SCC(N)=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2	3382653	MSUWACRSCDKGFN-NSHDSACASA-N	362.524	3.285	30	40	FGEB	
Cc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccc(F)cc2F)cc1	4452654	UHVSHBMLOZGPMC-LFIBNONCSA-N	369.375	3.034	30	40	FGEB	
C=CCN1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc23)CC1	67263377	MIAVMHAKGUSMHW-UHFFFAOYSA-N	370.460	3.253	30	40	FGEB	
COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCCO2	524729985	QCSQWNVHEXCSJP-LBPRGKRZSA-N	358.390	3.140	30	40	FGEB	biogenic
N#Cc1ccccc1C(=O)c1ccccc1CN1CCC2(CC1)OCCO2	85651538	VMNBKEIJDZFCEV-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2c(C)ccc(C)c21	46085181	KMUQAYIUQDCISQ-UZYVYHOESA-N	354.406	3.306	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1	19771898	AFDSHHOLWQSBQT-MOSHPQCFSA-N	358.829	3.400	30	40	FGEB	
C=CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12	2064275	MFDZOUFJFAZBMV-UHFFFAOYSA-N	352.341	3.392	30	40	FGEB	
C#CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(CC)C1=O	6952882	WVNWMTRMYYRIRH-CYBMUJFWSA-N	368.252	3.088	30	40	FGEB	
O=[N+]([O-])c1ccc(/C(O)=N/c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	20496147	BUVGFFWQGHOHGU-UHFFFAOYSA-N	355.266	3.189	30	40	FGEB	
C=CCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC	33699272	VNDTVULQITUODT-LDADJPATSA-N	364.426	3.030	30	40	FGEB	
CCCCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1	24682473	OANPAKQUVJOFPN-UHFFFAOYSA-N	365.499	3.456	30	40	FGEB	
CCN1C(=O)/C(=N/NC(=S)Nc2ccc(C)cc2C)c2ccccc21	102977758	PWZOTURKVOYIJE-HEHNFIMWSA-N	352.463	3.361	30	40	FGEB	
COc1cccc(Oc2ccc(CNC(=O)N3CCC(C#N)CC3)cn2)c1	57992047	VDEGKRSWEJALNB-UHFFFAOYSA-N	366.421	3.328	30	40	FGEB	
CCOc1cc2c(cc1NC(=O)COc1ccc(C#N)cc1)O[C@H](C)C2	11229914	AOGJRWXZSQXTSD-CYBMUJFWSA-N	352.390	3.298	30	40	FGEB	
O=S(=O)(N/N=C/c1cccc(Cl)c1)c1ccc(Br)cc1	3575498	DDBAJIPODGWQQN-CXUHLZMHSA-N	373.659	3.415	30	40	FGEB	
C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C#N)CCCCCC2	79124017	ULSQQOOJSDZBEA-JSGCOSHPSA-N	359.495	3.380	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1	408705266	ASUCJIIBTXJONW-LJQANCHMSA-N	368.433	3.407	30	40	FGEB	
C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21	524733106	VANZCOAKDBUPQI-OAHLLOKOSA-N	369.417	3.098	30	40	FGEB	
CC(C)c1nc(OCC(=O)NCCc2ccccc2)c(C#N)c2c1CCC2	32096431	BQYSNVJWQKSAOV-UHFFFAOYSA-N	363.461	3.303	30	40	FGEB	
N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1	225486688	MGHWIJLEXADIDA-CQSZACIVSA-N	364.430	3.247	30	40	FGEB	
O=C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1	225643893	HMTZHBTZFZNPHU-BZUAXINKSA-N	365.248	3.204	30	40	FGEB	
N#C[C@]1(N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252516216	QNYPUCCLMNBFOY-XHSDSOJGSA-N	367.257	3.154	30	40	FGEB	
N#Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2N)cc1	6532985	LRESNEKVQUIMGG-UHFFFAOYSA-N	371.853	3.388	30	40	FGEB	
C#CCN(C)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1	8623551	GQBJFAZZOHWACY-OALUTQOASA-N	371.525	3.047	30	40	FGEB	biogenic,in-vitro
CC1(C)[C@@H]2CC[C@]1(C)C(=O)/C2=C/NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104140337	SOXIJFAYYXSXCD-HFARXPFHSA-N	360.370	3.329	30	40	FGEB	
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(O)c1)n1ncnc1N2	18197593	IECLEMGTXFDCFA-KZULUSFZSA-N	364.430	3.461	30	40	FGEB	
COc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1	12843857	YZKFCMPMISHZDV-RONKMWSCSA-N	353.447	3.168	30	40	FGEB	
COc1ccc([C@]2(C)NC(=O)N(/N=C/C3=CC[C@@H]4C[C@@H]3C4(C)C)C2=O)cc1	110507125	WLTAYVJOTRVOHA-CBJYBNLJSA-N	367.449	3.440	30	40	FGEB	
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(N(C)C)o1	408797499	SDEOCWKCNCSGTR-KRWDZBQOSA-N	364.401	3.087	30	40	FGEB	
COc1cc(CCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc(OC)c1OC	8115681	JNSWMLGGBJOFLU-MRXNPFEDSA-N	372.396	3.165	30	40	FGEB	
C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc2c(c1)OCCO2	224821612	LYLNENPMBKCYHL-UHFFFAOYSA-N	359.447	3.402	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)CSc1ccc(F)cc1	90610392	OYIYXAGHOUBWCE-UHFFFAOYSA-N	359.422	3.125	30	40	FGEB	
O=C1CS/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1	2362224	HIBPTYXYLARXGG-JSLOUNHLSA-N	372.381	3.199	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C#N)c1C	2737484	UMAJPOSPOYASBL-UHFFFAOYSA-N	373.390	3.194	30	40	FGEB	
C#CCN(CC(=O)Nc1cc(OC)ccc1OC)[C@@H]1CCc2ccccc21	47406052	ZSGVGXCMHSPBBX-HXUWFJFHSA-N	364.445	3.265	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(SC)cc1	4944636	LXMCWYQPWVWJAH-ZDUSSCGKSA-N	373.503	3.254	30	40	FGEB	
N#Cc1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCCC2	943178	QQLLRGSZTNQREX-UHFFFAOYSA-N	369.475	3.272	30	40	FGEB	
CSc1ccc(Cl)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1	58202014	BFOLBWPUQGZDLA-UHFFFAOYSA-N	372.881	3.291	30	40	FGEB	
CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1cc(F)ccc1F	67172827	RRNXBHJJQXRMOJ-WJDWOHSUSA-N	351.374	3.024	30	40	FGEB	
C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1ccncc1	6907729	VCGSREFLFQPWMH-CYBMUJFWSA-N	357.483	3.066	30	40	FGEB	
CNC(=S)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21	408728325	JTXLXVQELRRCBN-NMWGTECJSA-N	374.469	3.185	30	40	FGEB	
O=C1CSC(=S)N1/N=C\c1cccc(OCCOc2ccccc2)c1	409344782	HDOGIZXYZIXHQB-UNOMPAQXSA-N	372.471	3.339	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1	218045500	RTRAGWLEUVIDQT-UFYCRDLUSA-N	355.459	3.481	30	40	FGEB	
C[C@H]1CS(=O)(=O)CCN1/C(O)=N/Cc1ccc(C2CCCCC2)cc1	330361750	YSYGWHDTBCXDKV-HNNXBMFYSA-N	364.511	3.267	30	40	FGEB	
CO[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1	602809737	DCHKURZYAYQTQC-LJQANCHMSA-N	367.405	3.496	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1	100175803	YXMDIQCDLJBXNR-DVPPMPBASA-N	351.450	3.064	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	102801355	JLTMLJMVXZVSMZ-LFVOPCPISA-N	365.429	3.372	30	40	FGEB	
CCCCCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C	102933369	UEPKWKUFCAZYDI-UHFFFAOYSA-N	369.531	3.302	30	40	FGEB	
N#Cc1c(SCc2nc3ccccc3[nH]2)sc2c(O)cc(=O)[nH]c12	4945726	DWOJLHVCDPTFTM-UHFFFAOYSA-N	354.416	3.335	30	40	FGEB	
C=CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C	7550956	XBXHPCSJVWEQBC-AWEZNQCLSA-N	354.328	3.405	30	40	FGEB	
Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1Cc1ccccc1	409409986	YDLNAVBJKBFMJV-JYAXBFRTSA-N	373.456	3.294	30	40	FGEB	
COc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br	4912977	SREJTBFKVSWLNO-SNVBAGLBSA-N	350.212	3.068	30	40	FGEB	
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N	19852297	VYIWANOSOOBZRG-UHFFFAOYSA-N	371.491	3.096	30	40	FGEB	
Cc1cc(O[C@@H](C)/C(O)=N/S(=O)(=O)C2CCOCC2)ccc1C(C)C	71844003	OZCKPXVNLXUUJM-AWEZNQCLSA-N	369.483	3.351	30	40	FGEB	
CCC/C(=N\OCC)C1=C(N2CCCC2)CC(C)(C)[C@@H](C(=O)OC)C1=O	5614623	QDOYOCJWZWVXMD-AQRZYSDFSA-N	364.486	3.317	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=N/n2c(CC)n[nH]c2=S)cc1OCC	5903476	KQQFLLJHZJGFTE-VCHYOVAHSA-N	364.858	3.449	30	40	FGEB	
N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c1	15674906	VAELJIHUJRRIHP-MSOLQXFVSA-N	364.380	3.055	30	40	FGEB	biogenic,in-vitro
O=C1N=C(/N=C\C(Cl)(Cl)Cl)N[C@@H](C(Cl)(Cl)Cl)O1	5220220	PKGVQJAMIKYNTK-AHTFOAKPSA-N	361.827	3.220	30	40	FGEB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)c3ccccc3)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	6018865	GCDRMGMIJGWNQK-KSYRLKCISA-N	366.413	3.255	30	40	FGEB	
Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4)CC3)o2)c1	12418338	MSAFRLLSBIVOHL-UHFFFAOYSA-N	372.428	3.484	30	40	FGEB	
C/C(=N\NS(=O)(=O)c1cc(C)ccc1C)c1ccc(-n2ccnc2)cc1	20930042	YUZFHQSGXIATBQ-LTGZKZEYSA-N	368.462	3.192	30	40	FGEB	
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC2(C)C)cc1	72308452	UPWHMKUQLNHKOQ-UHFFFAOYSA-N	366.465	3.397	30	40	FGEB	
Cc1cccc(Nc2nnc(SCC(=O)N(C)CCC#N)s2)c1C	7742260	BVOSGTDDTPRNCC-UHFFFAOYSA-N	361.496	3.363	30	40	FGEB	
CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnnn1-c1ccc(C)cc1	1306456	MAJRQLGRNGANRK-LVZFUZTISA-N	366.450	3.386	30	40	FGEB	
CC(=O)c1cccc(S(=O)(=O)/N=C(\O)c2ccccc2SCC#N)c1	48560198	YQECNRNOSYSZHJ-UHFFFAOYSA-N	374.443	3.198	30	40	FGEB	
N#Cc1ccccc1OCCSC(=N)Nc1ccc2c(c1)OCCO2	60511461	WBOFGRXRDOXMHF-UHFFFAOYSA-N	355.419	3.488	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(O)c1	49551131	XZXIDNPMSVSXSH-QGZVFWFLSA-N	367.405	3.033	30	40	FGEB	
Cn1c(Cc2ccccc2)nnc1Sc1ccc(C#N)cc1[N+](=O)[O-]	14199680	XOGHODDDGYEKAW-UHFFFAOYSA-N	351.391	3.337	30	40	FGEB	
CS[C@H]1C(C(=O)c2cccc(C)c2)=C(CC(=O)O)C(=O)N1CC(C)C	62716452	UGHLQIVCIVKVGI-IBGZPJMESA-N	361.463	3.136	30	40	FGEB	
CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc21	250456699	RNYNZSGHBQAGSD-XIFFMUJLSA-N	373.456	3.357	30	40	FGEB	
Cc1nccc([C@@H]2CCCN(c3ncc(Br)cc3C#N)C2)n1	585086742	PECKJZOCGJVLBP-GFCCVEGCSA-N	358.243	3.198	30	40	FGEB	
N#Cc1ccnc(OCC2CCN(c3nccn4nc(C5CC5)cc34)CC2)c1	1888890482	BZYCYIDVKPTPHL-UHFFFAOYSA-N	374.448	3.169	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nc(CC3CCCC3)n[nH]2)n1	23107567	WTQWGWDQOUIWQX-GFCCVEGCSA-N	361.496	3.271	30	40	FGEB	
N#Cc1cccc(NC(=O)CNc2cccc(Cl)c2N2CCOCC2)c1	32770379	QPIZJZOAMMKJOX-UHFFFAOYSA-N	370.840	3.099	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/O[C@H](C)C(=O)N2CCc3ccccc32)cc1	22195151	KKKFDZLJBJXAOO-QKIXXSFTSA-N	365.433	3.363	30	40	FGEB	
N#Cc1ccccc1OCC(=O)OCc1cc(Cl)c2c(c1)OCCO2	22613366	KBQOOTCMGYVAQK-UHFFFAOYSA-N	359.765	3.105	30	40	FGEB	
C=C(C)COc1ccccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1nccn1C)C2	100765893	CZZSSOBOLRIRDT-RTBURBONSA-N	367.493	3.390	30	40	FGEB	
O=S(=O)(CCc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl	3202936	HUACPONMZGQXGC-WOJGMQOQSA-N	357.262	3.489	30	40	FGEB	
CCCCCCCCc1ccc([C@@H](O)CC(CO)(CO)[N+](=O)[O-])cc1	114810341	SUSUNJZIRVZIIO-SFHVURJKSA-N	353.459	3.013	30	40	FGEB	
COc1ccc(CNC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)cc1	5642541	YOKRYFCRLQBLDR-AWEZNQCLSA-N	355.463	3.376	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(\O)c2c(C)noc2C(C)C)cc1C	66887397	PNDDQQYCFMXQCR-UHFFFAOYSA-N	352.412	3.117	30	40	FGEB	
CCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409373408	RSVHBGXEXVJFFV-IUXPMGMMSA-N	352.803	3.326	30	40	FGEB	
COc1ccc(/N=C2/S[C@H](CC(=O)O)C(=O)N2[C@@H]2C=CCCC2)cc1	35185206	VRGMBMPBWONHKD-PTIJJCGTSA-N	360.435	3.210	30	40	FGEB	
COc1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC	17298814	YILCXZQXEMXOSF-UHFFFAOYSA-N	365.389	3.198	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2cccc(-c3nc(-c4ccco4)n[nH]3)c2)C(=O)O1	1547200887	NOHILJBDFAIJIM-GXDHUFHOSA-N	362.345	3.057	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1	169690730	YXMDIQCDLJBXNR-WSYPAAGSSA-N	351.450	3.064	30	40	FGEB	
COc1cccc(OC[C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1	1889136217	ILWVBBWJRAFQEV-MRXNPFEDSA-N	355.413	3.392	30	40	FGEB	
N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)cc1	23796944	DHQIGSLJKXYJEW-UHFFFAOYSA-N	365.502	3.457	30	40	FGEB	
NC(=S)N/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccc(Cl)cc1	8653587	KQKQPRIUCLJKSG-AUQXIXNCSA-N	359.838	3.179	30	40	FGEB	
CCN/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccccc1	12655746	WNNQPWUXKVNTQK-UHFFFAOYSA-O	364.288	3.285	30	40	FGEB	
Cc1cccc(N2C[C@@H](/C(O)=N/c3nc(C(F)(F)F)n[nH]3)CC2=O)c1C	26255024	QSANABSNRDPAEK-JTQLQIEISA-N	367.331	3.081	30	40	FGEB	
O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(N2CCCC2=O)c1	35262644	XUOMLYJIZZPRHK-SOFGYWHQSA-N	352.346	3.323	30	40	FGEB	
N#Cc1ccc(CO/N=C(/N)c2cccc(OCc3cccnc3)c2)cc1	60197491	WMECCFCDFSWUPW-UHFFFAOYSA-N	358.401	3.369	30	40	FGEB	
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccccc2OCc2ccccc2)C(=O)O1	3560105	DQFBGRBRBTYTHE-VIOKTNGOSA-N	362.381	3.494	30	40	FGEB	
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc(F)cc1)n1ncnc1N2	9483811	HBTMUKJDSLVJGB-KPZWWZAWSA-N	350.353	3.426	30	40	FGEB	
Cn1c(C2=C(N)N(c3ccc4ccccc4c3)CC2=O)nc2ccccc21	19820075	XJQYVMLUSQZEKE-UHFFFAOYSA-N	354.413	3.443	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nnnn1[C@@H]2c1cccc(Br)c1	18196092	BOZNOBWHLDBFSX-CQSZACIVSA-N	374.242	3.094	30	40	FGEB	
O=C1/C(=C/c2cc3c(cc2Br)OCO3)Oc2cc(O)ccc21	96930390	PUZFMZFMILRGAK-TVPGTPATSA-N	361.147	3.500	30	40	FGEB	
C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(OC)c1	224803181	OROGOFCQZPXAIX-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
C#CCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OCC	96476011	XTMKDJNDGMIDTJ-CJGMICOPSA-N	358.463	3.409	30	40	FGEB	
COC[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1	252514337	CKXJBNJNUOWCRQ-RCCFBDPRSA-N	361.850	3.436	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(CC)cc1	4944643	PPQQPDKEINWLFO-CQSZACIVSA-N	355.463	3.095	30	40	FGEB	
CCN(CC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1	2284957	MJZZHUYZVLCEQV-QGZVFWFLSA-N	373.460	3.400	30	40	FGEB	
CCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1-c1cccs1	3322463	YVQABBGVWXVOCL-MRXNPFEDSA-N	363.512	3.173	30	40	FGEB	
CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2F)CC1	2561593	OMWUZVXKFQEQBX-UHFFFAOYSA-N	350.393	3.301	30	40	FGEB	
N#Cc1c(NC(=O)CCn2cc(Br)cn2)sc2c1CCC2	2777526	SBBRWZZKDZLHDV-UHFFFAOYSA-N	365.256	3.096	30	40	FGEB	
COc1c2c(cc3c1[C@H](C#CCOc1ccccc1)[N+](C)(C)CC3)OCO2	8879456	YKUYFIJUZLOUPA-SFHVURJKSA-N	366.437	3.180	30	40	FGEB	biogenic
C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2F)C1=O	409127047	PZQKVGHMDMLQEI-SFQUDFHCSA-N	352.365	3.483	30	40	FGEB	
COc1ccccc1[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1cccnc1C#N	586771473	KUHRCOLKKJJJBM-RHSMWYFYSA-N	371.462	3.124	30	40	FGEB	
CC1(C)OB([C@H]2CCN(C(=O)NCC3(C#N)CCCCC3)C2)OC1(C)C	1776007460	DUVACGSFAADKLC-HNNXBMFYSA-N	361.295	3.338	30	40	FGEB	
N#CCc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccco2)cc1	25228719	CQAIEJSZJQFMPD-GOSISDBHSA-N	366.417	3.381	30	40	FGEB	
CC/N=C1\S/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1CC	12438670	UROXZAWQESKTCA-GVXDGLBUSA-N	350.440	3.025	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c(F)c1	15108109	TYTHACNCZSLKCL-QPJJXVBHSA-N	360.337	3.476	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(F)ccc21	100875378	MYJRUOWBDARRHG-ICFOKQHNSA-N	361.379	3.186	30	40	FGEB	
COC(=O)C12C3=C(/C(=N/O)C=C/C3=N\O)C(c3ccccc31)c1ccccc12	104138805	COGVHCBSLOMBFL-WPHIWBHXSA-N	372.380	3.131	30	40	FGEB	
C=CCOc1c(CC=C)cc(C=C(C(=O)OC)C(=O)OC)cc1OCC	409068062	SPAKGTXOKIYQKJ-UHFFFAOYSA-N	360.406	3.108	30	40	FGEB	
COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1O	18195582	UPMJEPIFXMJMDG-CYBMUJFWSA-N	355.394	3.030	30	40	FGEB	
C#CCN(Cc1ccc(C)cc1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1	84148823	ZRDUIQYWSSSKMA-UHFFFAOYSA-N	362.408	3.299	30	40	FGEB	
N#Cc1ccc(C(F)(F)F)nc1NCCc1nc(-c2ccccc2)n[nH]1	95943706	YHVNMSVUWQJQEL-UHFFFAOYSA-N	358.327	3.412	30	40	FGEB	
Cc1cc(C)cc(-n2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)n2)c1	256048869	WSZRIISUHOIJJE-UHFFFAOYSA-N	372.476	3.078	30	40	FGEB	
Cc1ccc(-c2nc(C#N)c(N(C)S(=O)(=O)c3ccc(F)cc3)o2)cc1	1775975570	ISSJCSBEZLEOKQ-UHFFFAOYSA-N	371.393	3.486	30	40	FGEB	
N#Cc1ccccc1CN1CC(F)(F)C[C@@]2(CCN(CC3CC3)C2=O)C1	585093235	KKYLMZXPVRFHRZ-IBGZPJMESA-N	359.420	3.028	30	40	FGEB	
CN(C)/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1	5941584	AOPUDTOSBKIPBX-JMIUGGIZSA-N	373.253	3.106	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C2/S[C@@H](C)C(=O)N2c2ccccc2)cc1	101219140	OJJJDWUSGZVWPQ-BZSIDJSBSA-N	360.460	3.208	30	40	FGEB	
O/C(CN1CCC(O)CC1)=N\c1nc(-c2cc(F)ccc2F)cs1	29119254	JLDPOBFGGQNBME-UHFFFAOYSA-N	353.394	3.133	30	40	FGEB	
C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(C#N)cc1	3437360	BRIPNUDHGSHZIK-NSHDSACASA-N	351.387	3.352	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(O)c1	6238833	MWYKLFIPOJMLFS-GOSISDBHSA-N	367.401	3.007	30	40	FGEB	biogenic
COc1ccc(Cl)cc1NC(=O)CN(C)c1ccc(C#N)cc1[N+](=O)[O-]	14095065	ZGIBYNKUVRIVSL-UHFFFAOYSA-N	374.784	3.203	30	40	FGEB	
Cc1ccc(OCC(=O)OCC(=O)N(C)C2(C#N)CCC(C)CC2)cc1C	14199793	WVVXYZRMXBUAAQ-UHFFFAOYSA-N	372.465	3.156	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccccc1F)C2	9420323	VDLNTWMXKJUAPI-UHFFFAOYSA-N	358.398	3.252	30	40	FGEB	
CCOc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	868866	LVIRDPXDLXMTFC-YBFXNURJSA-N	372.333	3.110	30	40	FGEB	
COCCCCN1C(=O)[C@@H](Oc2ccccc2F)[C@H]1c1ccc(C#N)cc1	62581856	OQZPUAXQVPRMQJ-UXHICEINSA-N	368.408	3.455	30	40	FGEB	
CSCCc1[nH]c(NC(=O)CSc2nc(C)c(C)[nH]2)c(C#N)c1C	12372019	GMNPKGWIFICMCQ-UHFFFAOYSA-N	363.512	3.171	30	40	FGEB	
C/C(=N\N=C(/C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2	4776143	GKLHYGDNXKHVPP-JFMUQQRKSA-N	352.390	3.462	30	40	FGEB	
COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1O	7350127	JGRXNDAPOPWHAH-CMDGGOBGSA-N	367.401	3.432	30	40	FGEB	
CCCOc1ccc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)cc1	89960299	TVBDMRJALWTKIF-NRFANRHFSA-N	363.417	3.314	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1	32414324	IGUICULUOWITCZ-UHFFFAOYSA-N	357.406	3.207	30	40	FGEB	
CCOC(=O)c1sc2nc(COc3ccccc3C#N)nc(N)c2c1C	10394273	OSLXQMHIYIXDNZ-UHFFFAOYSA-N	368.418	3.209	30	40	FGEB	
O=C(CN1CCS/C1=N/Cc1ccccc1)c1cccc([N+](=O)[O-])c1	1821002	GPGQQSZZSZTUTC-VHEBQXMUSA-N	355.419	3.383	30	40	FGEB	
N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccccn1	41493515	JQYGOVFHRLNIMX-DOMZBBRYSA-N	373.334	3.330	30	40	FGEB	
N#CCCN(Cc1ccco1)C[C@@H](O)CO[C@H]1CCCc2ccccc21	25702850	FZJZRABWKIDSBU-NQIIRXRSSA-N	354.450	3.450	30	40	FGEB	
Cc1cc(Oc2ncccn2)ccc1NC(=O)COc1ccccc1C#N	58424976	UGKIQYPMAHPKML-UHFFFAOYSA-N	360.373	3.467	30	40	FGEB	
O=S1(=O)CC[C@H](/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1	2677921	ILTSGJHXLVMOIZ-BKQORJHRSA-N	371.487	3.207	30	40	FGEB	
CCc1ccc(-c2n[nH]c(SCC(=O)N[C@@](C)(C#N)C(C)C)n2)cc1	8483838	ILHACQMXFLZCKZ-SFHVURJKSA-N	357.483	3.181	30	40	FGEB	
Cc1cc(N=C(O)N(C)Cc2cnccn2)cnc1N1CCCC[C@H]1C	329364031	ZXFRXLUHMRPHRC-OAHLLOKOSA-N	354.458	3.236	30	40	FGEB	
COc1ccc([C@@H](C#N)NCCCN[C@H](C#N)c2ccc(OC)cc2)cc1	90531758	FKRDCLMTLCIITA-NHCUHLMSSA-N	364.449	3.103	30	40	FGEB	
C[C@@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@H]1CCC2=O	299848340	MPYLDWFDPHRTEG-NUTMPCAQSA-N	360.498	3.109	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@H]1CCC2=O	299848344	MPYLDWFDPHRTEG-SVQYUJKLSA-N	360.498	3.109	30	40	FGEB	
COc1ccc(OC)c([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1	12409743	KKGJXDWPGBZNQU-MRXNPFEDSA-N	370.409	3.309	30	40	FGEB	
COc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)cc1	5642545	YOKRYFCRLQBLDR-CQSZACIVSA-N	355.463	3.376	30	40	FGEB	
C[C@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1sccc1C#N	32774267	HWEIEFYWWOSFAR-VIFPVBQESA-N	366.345	3.405	30	40	FGEB	
N#Cc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)c([N+](=O)[O-])c1	12549810	SIGVYSFGTXQSMB-UHFFFAOYSA-N	373.416	3.337	30	40	FGEB	
N#CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	12564676	MCXXFOAIVLFMPH-UHFFFAOYSA-N	368.824	3.299	30	40	FGEB	
Cc1c(C#N)c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2c1CCC2	9114503	YKEYZQSUINFNSZ-DJJJIMSYSA-N	356.495	3.285	30	40	FGEB	
C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@]3(C#N)C[C@H]1CC[C@@]23C	100867203	IBOQWGXLOPOUKM-IEGACIPQSA-N	370.365	3.047	30	40	FGEB	
COc1cc(C#N)ccc1OCCCC(=O)N(Cc1cccnc1)C1CC1	46766003	AFQQPTYRFCMCKQ-UHFFFAOYSA-N	365.433	3.312	30	40	FGEB	
Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)CCCc1ccc(Cl)cc1	48535398	XYYQOEKJIPWSNJ-UHFFFAOYSA-N	369.874	3.358	30	40	FGEB	
Cc1ccc(C[C@@H]2S/C(=N\N=C/c3ccc(N(C)C)cc3)NC2=O)cc1	5009036	RHAKDESVJBGCRV-PKIWBCANSA-N	366.490	3.225	30	40	FGEB	
O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)n1nnnc1N2	6885243	BQWUYTFTUJQPBV-HXUWFJFHSA-N	373.416	3.274	30	40	FGEB	
CC[C@@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1OC	409355011	BEPOLWSYZGNDOS-CYBMUJFWSA-N	367.405	3.170	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1	224467465	MFVIPEGGTINBIR-UHFFFAOYSA-N	372.490	3.202	30	40	FGEB	
N#CCC[C@H](C#N)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	30538311	JOOUHHOYGUBYBR-CYBMUJFWSA-N	365.264	3.195	30	40	FGEB	
C=CCN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Cl)s1	9154896	BELAEEVBHBMUIL-UHFFFAOYSA-N	369.899	3.189	30	40	FGEB	
C=CCSc1ccccc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1	23700263	CTDKBPRXOXERKK-HNNXBMFYSA-N	362.495	3.178	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)CO/N=C(/C)c1cccs1	6754308	YKPDARVKSJRVBO-BKUYFWCQSA-N	357.435	3.043	30	40	FGEB	
C/N=C1/S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1C	101636103	WPRISGCGDUSQGE-KJCDSFJNSA-N	361.648	3.340	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1	54284357	VSSUASMUGAKLQJ-UHFFFAOYSA-N	352.434	3.018	30	40	FGEB	
COc1ccc(/C=N/n2c(S)nnc2-c2ccccc2)c(OC)c1C	409062002	LKRQBGLXSKURQO-YBFXNURJSA-N	354.435	3.442	30	40	FGEB	
O=C(NCc1ccc(/C=N/c2ccc(F)cc2)o1)C(=O)Nc1ccccc1	408865652	DMSWLVDLPAJSEL-WSDLNYQXSA-N	365.364	3.424	30	40	FGEB	
Cc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C	408739544	CNZULUQBYHPUQP-YODDIOPGSA-N	351.431	3.070	30	40	FGEB	
Cc1ccnc(-c2n[nH]c([C@H](C)/N=C(/O)C[C@H]3CCCCC(O)=N3)n2)c1	328862574	ZCIPBUDHDKPWQG-QWHCGFSZSA-N	356.430	3.482	30	40	FGEB	
N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21	16034257	DHEJAQLOPUNKRK-GUDVDZBRSA-N	374.831	3.352	30	40	FGEB	
CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2ccccc2F)n1	4363280	YHMRRBANAHZHGL-LPYMAVHISA-N	365.416	3.135	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccco1	795009	GWCVOIPNOZSQEZ-YVEFUNNKSA-N	371.364	3.176	30	40	FGEB	
N#CCCn1c(S)nnc1CCC(=O)Nc1ccc(Cl)cc1Cl	8655968	BRZYRZIJZTXGOL-UHFFFAOYSA-N	370.265	3.359	30	40	FGEB	
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2Cl)CC1	57024448	YCLPZGVPPYCUIQ-MRXNPFEDSA-N	374.916	3.193	30	40	FGEB	
N#Cc1ccc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)cc1	3311015	BXKKCSMTTGFIFT-UHFFFAOYSA-N	355.482	3.242	30	40	FGEB	
CC(C)(C)[C@H]1CCc2sc(-c3nnc(Cn4cnc(C#N)n4)o3)cc2C1	12890160	UHEHSWUWOJKDEX-LBPRGKRZSA-N	368.466	3.461	30	40	FGEB	
COc1ccc(C2=NNC(=N)C2=NNc2ccccc2C(F)(F)F)cc1	3767628	HXSBLWMDSGQKCR-UHFFFAOYSA-N	361.327	3.467	30	40	FGEB	
COc1ccc2[nH]cc(/C=C3/C(=O)c4ccccc4S(=O)(=O)N3C)c2c1	8990554	RONNSOMTERWPCY-MFOYZWKCSA-N	368.414	3.034	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1	6549561	UZBVAZJQRVUUNM-IBGZPJMESA-N	369.494	3.291	30	40	FGEB	
N#Cc1cccnc1OC1CCN(C(=O)c2ccc(F)cc2Cl)CC1	96119279	IXSVBFQZAFSPMH-UHFFFAOYSA-N	359.788	3.429	30	40	FGEB	
N#Cc1cccnc1NCCNC(=O)Nc1cccc(-c2nccs2)c1	56776929	RBXVCGRFZXLRIF-UHFFFAOYSA-N	364.434	3.310	30	40	FGEB	
CC[C@@H]1S/C(=N\S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	18063261	ZJALZBDGUMIJME-DVEDPGPFSA-N	366.508	3.418	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(F)cc1	4870435	NBMXGTKYSVHZPJ-INIZCTEOSA-N	359.353	3.034	30	40	FGEB	
COc1ccc([C@@]2(C)NC(=O)N(/N=C/C3=CC[C@@H]4C[C@@H]3C4(C)C)C2=O)cc1	101377258	WLTAYVJOTRVOHA-CZSRRSPFSA-N	367.449	3.440	30	40	FGEB	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccccc4)[C@H]3[C@@H]3O[C@@]132	4084402	MTJYMMDGGCHXAK-RUZUTBJTSA-N	369.505	3.344	30	40	FGEB	biogenic
C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1	6562721	IEDBRSGNPWCODU-UHFFFAOYSA-N	371.491	3.242	30	40	FGEB	
C=CCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)C2CC2)c2ccccc21	9576076	XKJRRPGLSRLJGK-QFIPXVFZSA-N	360.413	3.345	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	409133291	RYULQMCYAZPBHG-LDADJPATSA-N	351.406	3.181	30	40	FGEB	
N#Cc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c(Cl)c1	7858118	CNCFQTNFVNLPHV-UHFFFAOYSA-N	353.809	3.431	30	40	FGEB	
C[C@@H](Sc1nc(N)c2ccsc2n1)C(=O)NC1(C#N)CCCCC1	9743771	AHIUQAYRFFDNAO-SNVBAGLBSA-N	361.496	3.097	30	40	FGEB	
N#Cc1ccc(CSCC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1	95983010	OVQIAHABKCAKIS-RTBURBONSA-N	370.449	3.265	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc(Cl)c2)C1=O	408533200	JOKVUVBJYIOBMD-CQSZACIVSA-N	355.781	3.250	30	40	FGEB	
Fc1cc(F)c(F)c(OCc2ccc(/C=N/n3cnnc3S)o2)c1F	36611070	FQYMUHZFSAPMPZ-LRNAUUFOSA-N	372.303	3.177	30	40	FGEB	
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218547447	CWPUUSLREALRNV-OKZBNKHCSA-N	359.834	3.297	30	40	FGEB	
CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(C)=O	36624092	AGUQPWNDMZRLAF-CQSZACIVSA-N	353.216	3.065	30	40	FGEB	
Cc1ccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCCC[C@@H]2C)cc1	225859098	CBVWIADFDYWOFP-INIZCTEOSA-N	350.466	3.242	30	40	FGEB	
N#Cc1c(CN2C(=O)c3ccccc3C(F)(F)C2=O)cn2ccccc12	95469220	MQUXQCCZVXSCEI-UHFFFAOYSA-N	351.312	3.085	30	40	FGEB	
CCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)CCC#N)c1CC	3361834	QYOBITDAYLYVIK-UHFFFAOYSA-N	367.449	3.279	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1	14139132	ZLYPZKCOCBJUSH-UHFFFAOYSA-N	362.389	3.205	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1	5408685	GSBKCAYIHXSLTG-LFVOPCPISA-N	364.445	3.060	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1	6647804	MTKYAHZUEVYQKY-LBPRGKRZSA-N	367.796	3.198	30	40	FGEB	
CCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1N=O	72102427	DCRGCQORNJUMDP-OAHLLOKOSA-N	367.427	3.131	30	40	FGEB	
Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	75297756	YJRMZEPFLKEATI-ZOCIIQOWSA-N	350.466	3.439	30	40	FGEB	
N#Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1	47333838	NHWIFCBLUWFHTI-UHFFFAOYSA-N	352.413	3.483	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc([N+](=O)[O-])cc2)n2c1CCC2)c1ccc(F)cc1	27546501	MAWKUQIHURBZKK-UHFFFAOYSA-N	366.372	3.319	30	40	FGEB	
CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1	5025891	FJSNSMNAAAEJGI-HUUCEWRRSA-N	352.438	3.426	30	40	FGEB	
CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(CC)c(C#N)c(=O)[nH]1	5239018	UQLSSYTUDMUNNP-GFCCVEGCSA-N	370.478	3.194	30	40	FGEB	
CCOc1ccc2c(c1)O/C(=C\c1cccc(OCC(=O)OC)c1)C2=O	4478679	IWPOSWDXJOBWCP-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N(C)CCC#N)c23)C1	5334087	CAVOREMOMYNHLR-LLVKDONJSA-N	360.508	3.280	30	40	FGEB	
N#Cc1cc(F)c(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(F)c1	95410219	BZBMMWZCISFPLH-UHFFFAOYSA-N	370.355	3.277	30	40	FGEB	
Cc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)s1	7700909	YOFVFWNPQSRDGY-CMDGGOBGSA-N	371.458	3.190	30	40	FGEB	
C#CC[C@H](CC(F)(F)F)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	521394806	VUXZRZIDMDJVNE-GFCCVEGCSA-N	364.371	3.228	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	218365068	DVSCMVJEOFTSTM-KSZLIROESA-N	361.850	3.090	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccco1	625856	MECKIBCAFPOBAE-YOEHRIQHSA-N	371.364	3.176	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1)c1ccco1	794985	YZOZYNJBZKFQDH-PBHICJAKSA-N	353.374	3.037	30	40	FGEB	
CCn1c(SCC(=O)OCc2cccc(C#N)c2)nnc1-c1ccco1	4788143	WWNCNHNZXMPIFX-UHFFFAOYSA-N	368.418	3.265	30	40	FGEB	
Cc1ccc(-c2n[nH]c(/N=C(\O)CN(C)C(=O)c3cccs3)n2)s1	58228595	QOTSXNSZWVPASE-UHFFFAOYSA-N	361.452	3.263	30	40	FGEB	
COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1OC	12861887	KSXIVZIHPNZPOI-ZDLGFXPLSA-N	369.373	3.380	30	40	FGEB	biogenic
Cc1cc(O)c(C(=O)/C=C/c2cc3c4c(c2)CCCN4CCC3)c(=O)o1	6571345	FSOPAMBEHZIICJ-VOTSOKGWSA-N	351.402	3.249	30	40	FGEB	biogenic
CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	18276240	RITXGICQKPODOR-RTBURBONSA-N	373.372	3.381	30	40	FGEB	
N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1	25495997	ZVOIGMPKKCCARC-UHFFFAOYSA-N	351.288	3.404	30	40	FGEB	
CC1(C)C2=C(O)C(=O)C3=C(C(=O)C[C@]4(C)C(=O)CC[C@]34C)[C@@]2(C)CC[C@@H]1O	263597490	GVIAMIGKWDQCSW-MYEHCEBOSA-N	372.461	3.213	30	40	FGEB	
N#Cc1cccc(CN2CCC(Oc3ncc(Br)cn3)CC2)c1	1203762607	LTIAQGKGVPGOGB-UHFFFAOYSA-N	373.254	3.154	30	40	FGEB	
O=C(NO)c1sc(C(=O)NO)c(-c2ccccc2)c1-c1ccccc1	5260279	NYNOIJLNUJVSOX-UHFFFAOYSA-N	354.387	3.320	30	40	FGEB	
CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2	5634252	BQZNEKDUAXITEY-INIZCTEOSA-N	371.776	3.277	30	40	FGEB	
COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC#N)cc1OC	12175159	ITQDHNLDBIFXRB-UHFFFAOYSA-N	374.780	3.290	30	40	FGEB	
C[C@H](NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccc(C#N)cc1	31432515	CXZFVPRODOIVQO-OAGGEKHMSA-N	364.449	3.058	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1	102883726	ZCALUWHATVXIOS-HVESIFNPSA-N	370.474	3.122	30	40	FGEB	
CCCCCCCCC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1	102996447	SVYVONMLURZRRO-UHFFFAOYSA-N	373.541	3.441	30	40	FGEB	
O=C(C[n+]1ccccc1Cl)c1ccc(I)cc1	1595140	ZLVMJIGBUCRENS-UHFFFAOYSA-N	358.586	3.115	30	40	FGEB	
COc1ccc(/C=N/OCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1	3268407	BNQYHYWHHOBZLO-KEBDBYFISA-N	361.781	3.125	30	40	FGEB	
COC(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C#N)c1C	1851602	OPCMFMAVNIXHKQ-VOTSOKGWSA-N	371.374	3.275	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1	11083017	HFSPPJPPYMXWFD-KRWDZBQOSA-N	374.444	3.229	30	40	FGEB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103980667	SOXIJFAYYXSXCD-LRRJSBNBSA-N	360.370	3.329	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@H]2C[C@H]2c2cccc(C#N)c2)s1	83150561	XBNDFIGTMSZTGL-KBPBESRZSA-N	361.448	3.081	30	40	FGEB	
CC(=O)OCC#CCSc1nnc(-c2cccc(Br)c2)o1	4776298	BJKZWTGWTYNGFY-UHFFFAOYSA-N	367.224	3.158	30	40	FGEB	
C/C(=N\OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)CCO2	98055585	OKLWYLYPSXBESX-UDWIEESQSA-N	370.361	3.337	30	40	FGEB	
N#Cc1ccc(CSCC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1	95983012	OVQIAHABKCAKIS-MOPGFXCFSA-N	370.449	3.265	30	40	FGEB	
N#Cc1ccc(CN2CC[C@@H](Oc3ccncc3Br)C2)cc1	1849455920	KDQJFRYBIVZPDH-OAHLLOKOSA-N	358.239	3.369	30	40	FGEB	
C=CC/N=c1/sc(C(=O)Nc2ccc(Cl)cc2)cc(=O)n1CC=C	2727842	VTNYBQYFSNTKBX-HTXNQAPBSA-N	361.854	3.088	30	40	FGEB	
Cc1ccc([C@@H](C)NC(=O)CO/N=C(/N)c2ccc(Cl)cc2)cc1C	22321374	CPOPGMNSMRAJQF-CQSZACIVSA-N	359.857	3.471	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCc1ccccc1	12659832	UOTBPNDDJMUPDN-WFTGQSOZSA-N	369.505	3.346	30	40	FGEB	biogenic
CCC(=O)Nc1ccc(/C(C)=N/OCC(=O)NCc2ccc(F)cc2)cc1	36392405	QZULJGNVQWOPFM-ZVHZXABRSA-N	371.412	3.231	30	40	FGEB	
C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl	13005144	NVPPDSPJERGMFC-UHFFFAOYSA-N	368.817	3.196	30	40	FGEB	
CCn1c(N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)nc2ccccc21	408692477	NGUWNSXGVFETLK-VCHYOVAHSA-N	355.354	3.125	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2ccccc2Cl)cc1	4749828	WDTGGWWTUNVWBQ-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
C=CCNc1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)s1	5785521	AHCUPKYMBIEYBF-UHFFFAOYSA-N	352.460	3.026	30	40	FGEB	
N#Cc1c(COC(=O)c2ccc(CN3CCCC3=O)cc2)cn2ccccc12	22202414	PCEYTYYXWLMFDS-UHFFFAOYSA-N	373.412	3.290	30	40	FGEB	
CN(CC#CCNC(=O)CSCc1ccccc1)Cc1ccccc1	75165133	FEVPSXDMPQDTGH-UHFFFAOYSA-N	352.503	3.171	30	40	FGEB	
COCCn1cc(C/C(O)=N/c2nc([C@@H]3CCCO3)n[nH]2)c2ccccc21	95479732	DMFZIOJKKZECKX-INIZCTEOSA-N	369.425	3.088	30	40	FGEB	
CN1CCN(CC#C[C@@]2(C)CC[C@@H]3[C@H](O2)c2ccccc2OC3(C)C)CC1	19370346	SVAGWPUEXZOYPV-LSWJPFSZSA-N	368.521	3.335	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1	5376835	QOEQVFGKHMDCIG-GDNBJRDFSA-N	354.387	3.285	30	40	FGEB	
Cc1cc(C)nc(/N=C2\N=C(O)C[C@H](C(=O)O)N2c2ccc(Cl)cc2)n1	1858679	IILKPIHXGVQMCR-CYBMUJFWSA-N	373.800	3.054	30	40	FGEB	
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O	6166676	SOMAKQLBWGNNHG-HIPMGEKLSA-N	354.358	3.252	30	40	FGEB	biogenic
CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1	42741665	NLIBYAIFAILUMA-OAHLLOKOSA-N	365.433	3.366	30	40	FGEB	
O=C(C[n+]1cccc(/C(O)=N/c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	4949845	CYQGNRLOKJNNSC-UHFFFAOYSA-O	362.365	3.402	30	40	FGEB	
Cn1cc(C#N)cc1C(=O)O[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C	96013354	RJVFAALGHGEHCV-ZBFHGGJFSA-N	361.442	3.280	30	40	FGEB	
C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1cnn(-c2ccccc2)c1	14021972	PEKQOUFXOCKZBE-MRXNPFEDSA-N	359.433	3.203	30	40	FGEB	
Cc1cc(N/N=C/c2ccc(O)c(C(=O)O)c2)nc(-c2ccccc2O)n1	5362451	AFRMSHVGUJLQGY-KEBDBYFISA-N	364.361	3.007	30	40	FGEB	
CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1OC	4820256	XWRGAYAWWAGOQC-SRZZPIQSSA-N	354.410	3.261	30	40	FGEB	
CN(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c(O)c32)cc1	44973810	VJCLBVSOERTZCN-AWEZNQCLSA-N	368.462	3.475	30	40	FGEB	
N#Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cc1	96111804	JATOTCWOLUPCNR-FPOVZHCZSA-N	373.456	3.337	30	40	FGEB	biogenic,in-vitro
CCOC(=O)c1sc2nc(C)n(/N=C/c3ccc(F)cc3)c(=O)c2c1C	1465415	LFLYAWMTHQKEAU-AWQFTUOYSA-N	373.409	3.273	30	40	FGEB	
O=[N+]([O-])c1ccc(O)c(/C=N/CCNc2ccc(Cl)cc2[N+](=O)[O-])c1	19596770	BAFGRSHCWZVXKR-RQZCQDPDSA-N	364.745	3.393	30	40	FGEB	
COCCn1c(SCC(=O)Nc2sccc2C#N)nc2ccccc21	12546587	JVZCHHSVZCCSSJ-UHFFFAOYSA-N	372.475	3.347	30	40	FGEB	
C=CCSc1nnc(NC(=O)CCc2ccc(OC)c(OC)c2)s1	7594227	VTKLEYHFSHNGFE-UHFFFAOYSA-N	365.480	3.405	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1	105182549	NNGBVDMCFAWBHN-QECQHUCCSA-N	363.461	3.064	30	40	FGEB	
CC(=O)c1ccc(OCC(=O)N2CCS/C2=N\Cc2ccccc2)cc1	2656056	ILLZGRRVBCDYEM-MRCUWXFGSA-N	368.458	3.400	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccs1	22131798	SXNJDDCGNPAJEU-MRXNPFEDSA-N	355.463	3.221	30	40	FGEB	
CCOC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)O)cc1	409235568	CHVJTRNEDGLCJT-LNOXHEFASA-N	371.389	3.474	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@H]2c2cccc(C#N)c2)s1	83150560	XBNDFIGTMSZTGL-UONOGXRCSA-N	361.448	3.081	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1	13678324	JYUSAQQJLPLFIT-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
Oc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)c(O)c1	3197389	KRVYCPBUBLKFCU-QGMBQPNBSA-N	360.826	3.409	30	40	FGEB	
CCc1nn(-c2cc(Oc3ccc(F)cc3)nc(SC)n2)c(N)c1C#N	632445	WFJWBKYLQUBBGV-UHFFFAOYSA-N	370.413	3.332	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21	8047545	QIOPUOUESPVFKX-IBGZPJMESA-N	350.418	3.284	30	40	FGEB	
Cc1cccc(NCC(=O)Nc2cccc(C#N)c2)c1C(=O)N1CCCC1	55846614	XDOCNMQWOQZLIY-UHFFFAOYSA-N	362.433	3.153	30	40	FGEB	
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(F)cc(F)c1	3450401	FLSIXCUAVDFHSC-UHFFFAOYSA-N	366.345	3.014	30	40	FGEB	
C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1	6129932	IUDVLMOQFXOYCR-XHSDSOJGSA-N	364.449	3.448	30	40	FGEB	
N#Cc1c(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCC2	5487538	NHFRASIKHFHKGC-UHFFFAOYSA-N	364.430	3.230	30	40	FGEB	
CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(OC)cc1OC	408583515	VHVHZFMCLQCGRR-UHFFFAOYSA-N	356.378	3.235	30	40	FGEB	
COc1cc(CNC(=S)Nc2ccc(CC#N)cc2)cc(OC)c1OC	225573019	SOEQLEALTHIDJV-UHFFFAOYSA-N	371.462	3.265	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	222346126	RYZNRFOSCDAQJF-BKGINNPDSA-N	372.424	3.235	30	40	FGEB	
N#Cc1cccc(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)c1	1775972862	ZCDPUVFBSKABTN-CQSZACIVSA-N	372.222	3.009	30	40	FGEB	
C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2	103373068	RCUGBORJCURMEI-PDWMJMLSSA-N	352.482	3.111	30	40	FGEB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	5787182	WQGCFNGITAJFSI-KVSKMBFKSA-N	373.449	3.484	30	40	FGEB	
CCCCCCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1OC	100914739	LLUIXFFZBCWRTG-ATVHPVEESA-N	373.478	3.057	30	40	FGEB	
COC(=O)c1ccc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1	32957782	UXXNTGHJCDJYEA-RHJMSYDWSA-N	366.417	3.190	30	40	FGEB	
CCOc1ccc(S(=O)(=O)N/N=C2\CCCCc3ccccc32)cc1	33042746	XIUCCTNCSKKIST-FMQUCBEESA-N	358.463	3.494	30	40	FGEB	
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1	102928547	MARNWLXIZADNBK-GROYHEBESA-N	370.474	3.040	30	40	FGEB	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(-n3cnc4ccccc43)cc2)C(=O)O1	24574429	UGTQXYKTMMGXEL-OGECGYFKSA-N	372.380	3.254	30	40	FGEB	
CC(=O)Nc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1	58344391	GYZRMRRLWRMNBE-JXMROGBWSA-N	350.374	3.498	30	40	FGEB	
CN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)Cc1ccccc1C#N	12928202	HERADBVIVQEYCP-UHFFFAOYSA-N	367.430	3.175	30	40	FGEB	
C=CCN(Cc1cn2cc(Cl)ccc2n1)S(=O)(=O)c1ccccc1	8709912	WFJSZLCMZHTZPT-UHFFFAOYSA-N	361.854	3.365	30	40	FGEB	
C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccc(S(N)(=O)=O)c1	95965242	RWWHJBUIPHYXIL-SNVBAGLBSA-N	369.368	3.398	30	40	FGEB	
C=CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc21	409031914	BLBBMVXMIKQJBR-YBSAJQQWSA-N	359.429	3.277	30	40	FGEB	
C=CCn1c(C2CC2)nn(CN(C)Cc2ccc(C(=O)OC)cc2)c1=S	36392761	DECWTTGDMOPINI-UHFFFAOYSA-N	372.494	3.354	30	40	FGEB	
Cc1ccc2c(c1)CC[C@@H](/C(O)=N/CC(=O)N1CCc3ccccc31)O2	330031323	SZSPCJJKKVMFNR-IBGZPJMESA-N	350.418	3.234	30	40	FGEB	
CCS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Br)cc1	96532118	RDZHKUDMXRDWDA-UHFFFAOYSA-N	371.281	3.425	30	40	FGEB	
COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2OC)cc1	4901693	UZZPFXJWPXVSMB-UCLIPEMJSA-N	369.446	3.169	30	40	FGEB	
CCNC(=O)COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1OC	7742238	SLLLILFJZQVWNM-MHWRWJLKSA-N	351.402	3.033	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccc(C(=O)O)cc1	102045467	JEWZEZGJAMLRBE-ZDUSSCGKSA-N	353.378	3.014	30	40	FGEB	
C/C(=N\OCC(=O)Nc1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2	13139986	OSDXZVLUADYRCM-PXLXIMEGSA-N	354.406	3.454	30	40	FGEB	
CN(/C(S)=N/CCN1CCOCC1)C(c1ccccc1)c1ccccc1	13684798	MOCJBDPJFQWJBQ-UHFFFAOYSA-N	369.534	3.326	30	40	FGEB	
O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc(O)c2CN1CCOCC1	4339696	SVUWVRYETXNBBR-WQRHYEAKSA-N	371.820	3.494	30	40	FGEB	
Cc1ccc(OCCN(C)CC(=O)N(CCC#N)c2ccccc2F)cc1	14094773	MTRIYPIVKWDJGO-UHFFFAOYSA-N	369.440	3.392	30	40	FGEB	
C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@@H](C)CC3	5574609	CLUXGBODEFRSAV-VIFPVBQESA-N	356.480	3.293	30	40	FGEB	
CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)C1(C#N)CCCCC1	7472859	BZJLELITROXZFB-UHFFFAOYSA-N	355.467	3.249	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(O)c(OC)c3)C2=O)s1	135886012	NOFIMULAYLLEOG-SPEUWIMTSA-N	361.448	3.233	30	40	FGEB	
O=C(NCC#CCOc1ccc2c(c1)OCO2)c1cccc2ccccc12	90730770	GAPBQSFPOUXJKC-UHFFFAOYSA-N	359.381	3.381	30	40	FGEB	
Cc1c(/N=C/c2cc3ccccc3[nH]c2=O)c(=O)n(-c2ccccc2)n1C	3018287	NQCRYOIBDGCOLU-LPYMAVHISA-N	358.401	3.077	30	40	FGEB	
O=[N+]([O-])c1cccc(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c1	16922623	HTPRRTBUJOHTEA-YBFXNURJSA-N	358.467	3.362	30	40	FGEB	
O/C(CN1CCCN(c2ccccn2)CC1)=N\c1nnc(C2CCC2)s1	19658426	GVPAMYDXRAYLHI-UHFFFAOYSA-N	372.498	3.001	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCCn4ccnc4)[C@H]3C[C@H]12	3984180	GVQXMWUKRNTWTN-DRJBRKBZSA-N	357.498	3.177	30	40	FGEB	biogenic
C=CCNC(=O)Cc1csc(SCC(=O)Nc2ccc(C)cc2)n1	8852748	JQVLFRJACHQSHC-UHFFFAOYSA-N	361.492	3.027	30	40	FGEB	
CCCN(CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1	52825757	LXGRJQJOFDUFHE-UHFFFAOYSA-N	350.422	3.119	30	40	FGEB	
CO[C@H]1CC[C@@H]2CC[C@H](CC1)C2=NNS(=O)(=O)c1ccc(C)cc1	101043031	YDOUAVFJRIGNQS-MUJYYYPQSA-N	350.484	3.245	30	40	FGEB	
N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)nc1	48236526	FVHVHCBVERASME-NRFANRHFSA-N	360.461	3.437	30	40	FGEB	
C=CCN(C(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccccc1	48302628	OQFZWRVQWIGPFE-UHFFFAOYSA-N	367.478	3.225	30	40	FGEB	
O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)c1ccccc1	13040657	YOSUYTJYOKTQFX-UHFFFAOYSA-N	371.462	3.190	30	40	FGEB	
CC(C)(NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1	58210159	FUNPFJCVDRDSMC-UHFFFAOYSA-N	359.433	3.207	30	40	FGEB	
COc1ccc(OCCC(=O)OCc2cn3ccccc3c2C#N)cc1	14852356	AAPWNQQBENHDNT-UHFFFAOYSA-N	350.374	3.332	30	40	FGEB	
N#Cc1ccc(OCc2ccc(S(=O)(=O)N3CCCC3)o2)c(Cl)c1	40114314	ITOJDQNZAKUINX-UHFFFAOYSA-N	366.826	3.168	30	40	FGEB	
O=C1CN2C(=C1c1nc(-c3ccccc3)cs1)NC(=O)c1ccccc12	101501291	OHYPUEYSFONXGQ-UHFFFAOYSA-N	359.410	3.311	30	40	FGEB	
N#Cc1c(NC(=S)NC(=O)c2cccnc2)sc2c1CCCCC2	827136	FGOFBZMOVJJJKQ-UHFFFAOYSA-N	356.476	3.410	30	40	FGEB	
COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N	9157465	PNPVTTWTUICFCD-GFCCVEGCSA-N	354.366	3.223	30	40	FGEB	
N#Cc1cccc(COc2cccc(NC(=O)N3CCC(CO)CC3)c2)c1	48317817	ADVDKCZRHYWDPQ-UHFFFAOYSA-N	365.433	3.373	30	40	FGEB	
Cc1cccc(C)c1OCC/C(O)=N/S(=O)(=O)c1c(C)noc1C	48491351	QKKNAUJINLNQKP-UHFFFAOYSA-N	352.412	3.023	30	40	FGEB	
Cc1ccc(C)c(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)OCCO3)c1	46929370	FECGVDQZPQPSER-SOFGYWHQSA-N	373.430	3.433	30	40	FGEB	
C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218283221	GHLNUCBGNDSINI-HNNXBMFYSA-N	374.462	3.045	30	40	FGEB	
CCCCS(=O)(=O)/N=C(O)/C=C/c1cc(Cl)c2c(c1)OCCO2	42343370	DDPBUEVJCVBKHN-SNAWJCMRSA-N	359.831	3.211	30	40	FGEB	
CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1	5647634	FAPSTRKEUKBFTL-NVNXTCNLSA-N	371.374	3.270	30	40	FGEB	
O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccco1	102503802	UKSLFNDRHPGTHZ-GHNGSUTGSA-N	360.369	3.297	30	40	FGEB	
COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c3c(c1)OCCO3)CO2	58192291	DJWCZDVDNVHVMN-QPEQYQDCSA-N	354.358	3.134	30	40	FGEB	
CC[C@H]1CN(C(=O)CON=C2c3ccccc3-c3ccccc32)CCO1	58370800	DFBAQCFQLWTINZ-HNNXBMFYSA-N	350.418	3.073	30	40	FGEB	
N#Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(Cl)c1	11157952	VKJBLNFAEVPYHW-UHFFFAOYSA-N	369.808	3.121	30	40	FGEB	
CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C)cc1	4194091	MBVINEBMAKCDED-AWEZNQCLSA-N	353.447	3.365	30	40	FGEB	
COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(C)c(C)c2)S1	6054354	NLUACLZMXJMJCL-IUOVYFEOSA-N	367.474	3.476	30	40	FGEB	
C/C(=N/N1CCN(c2ccccn2)CC1)c1ccc(Br)cc1	4890907	ALTLBBCOGCPYEO-ZHZULCJRSA-N	359.271	3.390	30	40	FGEB	
Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccc(C#N)cc3)nn2)c1	216776748	TWTYPLKDERUECH-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
C#CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)cc3)oc12	216729585	DTSHESXAYNFYCT-UHFFFAOYSA-N	352.302	3.202	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	242688414	VPNHDICAGDPECL-KZNAEPCWSA-N	359.834	3.297	30	40	FGEB	
CCO[C@@H]1C[C@H](Nc2ccc(Br)cc2C#N)[C@]12CCCO2	612664575	ZHBZNDJWZLICPP-ARFHVFGLSA-N	351.244	3.459	30	40	FGEB	
Cc1cc2nc(N3CCc4c(sc(N)c4C#N)C3)c3ccccc3n2n1	40071536	ZJAWNHTYLZOMLQ-UHFFFAOYSA-N	360.446	3.269	30	40	FGEB	
CCO/C(O)=N/c1nnc(SCC(=O)Nc2c(C)cccc2C)s1	32891696	VCZORAKRQTYDRV-UHFFFAOYSA-N	366.468	3.468	30	40	FGEB	
Cc1ccc(NCC(=O)N[C@](C)(C#N)C2CC2)c(OCC(F)(F)F)c1	57265270	MRERIRHFTCCUTE-MRXNPFEDSA-N	355.360	3.157	30	40	FGEB	
CC(C)/N=C1/S[C@H](CC(=O)Nc2ccccc2F)C(=O)N1C(C)C	15227752	TZNXSCUVECCKSW-UFOSLELVSA-N	351.447	3.271	30	40	FGEB	
COc1cccc(/C=N/N2C(=O)CN(C(C)C)[C@H]2c2cccc(OC)c2)c1	408975186	KCTNYQOVNKVXKH-XWRADEMYSA-N	367.449	3.289	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)CC)S/C(=C\C=C\c2ccccc2)C1=O	409092779	WQPSGCRQIOQEAU-FENWIEIGSA-N	357.431	3.201	30	40	FGEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1	409293468	KJHSCHWCVDKWKJ-UHFFFAOYSA-N	372.222	3.309	30	40	FGEB	
C#CCOc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1OCC	409079234	IYUQZBBKFKCOKC-LGMDPLHJSA-N	368.433	3.323	30	40	FGEB	
N#Cc1cccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@@H]3C2)c1	306129536	IGJSKFBSWMVDMF-RTBURBONSA-N	369.428	3.076	30	40	FGEB	
N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1	21468521	OKPHZYYPCGHKDR-SFHVURJKSA-N	364.401	3.072	30	40	FGEB	
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C=O)CC(C)C	256009010	WJQLUFQGNVGLKR-JQHSSLGASA-N	362.470	3.057	30	40	FGEB	
C#CCOc1ccccc1CN1CCC(O)(c2ccccc2OC)CC1	12344680	HQCFJVKUDUKNOP-UHFFFAOYSA-N	351.446	3.191	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1	169690733	YXMDIQCDLJBXNR-JUBODHCFSA-N	351.450	3.064	30	40	FGEB	
Cc1nc(/C=C/C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cs1	22393696	TWZXEHYKWQMRND-DKFQHHCZSA-N	370.453	3.013	30	40	FGEB	
Cc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C	4570347	KAUHCPFUDPBVKL-UHFFFAOYSA-N	368.867	3.302	30	40	FGEB	
N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc2ccccc2n1	40150586	ZCAOODDUKPAJBS-OALUTQOASA-N	369.424	3.460	30	40	FGEB	
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1	3418009	ZAEJAOXTKYPKML-UHFFFAOYSA-N	365.458	3.088	30	40	FGEB	
Cc1ccn2cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)nc2c1	22975998	DJJNRVJMJAWJLH-UHFFFAOYSA-N	357.335	3.443	30	40	FGEB	
COc1cccc(N2CCN(CCCOc3ccc(C#N)cc3)CC2)c1	43117194	RVRSOOMCWZXXQO-UHFFFAOYSA-N	351.450	3.158	30	40	FGEB	
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCCc3ccccc3)C(=O)O[C@@H]1C2	4028526	UOTBPNDDJMUPDN-XPRTXTSQSA-N	369.505	3.346	30	40	FGEB	biogenic
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccncc1	4160948	UDSIFTVVMBQNMK-HOCLYGCPSA-N	371.510	3.313	30	40	FGEB	
Cc1ccc(/C=C2/S/C(=N\S(=O)(=O)c3cccs3)NC2=O)cc1	6146709	RXCNGADPDMJFEN-FMIVXFBMSA-N	364.473	3.005	30	40	FGEB	
O=C(/C=C/c1cccc(O)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	6225041	WCGXSFWACOLWCL-IZZDOVSWSA-N	357.431	3.073	30	40	FGEB	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnc(N)s1	95953357	ICQZGLPRESMVMP-SECBINFHSA-N	365.509	3.245	30	40	FGEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OC(C)C	409358129	KIIFRVBOPNZNFO-UHFFFAOYSA-N	367.405	3.170	30	40	FGEB	
COc1cc(OC)cc(C(=O)O/N=C2/C[C@@H](C)Oc3cc(OC)ccc32)c1	8221897	PEVYQVQXOQLOCS-ACHDJDMMSA-N	371.389	3.445	30	40	FGEB	
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1	3592998	SAZKNDVUQYAVGF-UHFFFAOYSA-N	366.402	3.348	30	40	FGEB	
COC(=O)[C@H](C#N)c1nc2ccccc2nc1Sc1nc(C)c(C)o1	37150147	KYJLQFLYLUBTHR-LLVKDONJSA-N	354.391	3.166	30	40	FGEB	
O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1ccc(Br)o1	5352924	ZSKGZXITPFEMEY-XFFZJAGNSA-N	362.179	3.140	30	40	FGEB	biogenic
COc1ccc(-c2csc(C3=C(N)N(Cc4ccco4)CC3=O)n2)cc1	5744940	RGFMQVBGKUHOFV-UHFFFAOYSA-N	367.430	3.124	30	40	FGEB	
COc1cc(CCC(=O)OCC#Cc2ccccc2)cc(OC)c1OC	69947034	UPPVJZHLTVNTOU-UHFFFAOYSA-N	354.402	3.240	30	40	FGEB	
CNC(=O)C1CCC(NC(=O)c2ccccc2-c2ccccc2C#N)CC1	63260333	IOJJAVNITZIFBT-UHFFFAOYSA-N	361.445	3.260	30	40	FGEB	
N#C[C@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1	331712305	CYJBKWKWJHQZSY-BXUZGUMPSA-N	374.242	3.449	30	40	FGEB	
N#Cc1c2c([nH]c(=NCc3cnn4ccccc34)c1C#N)CCCCCC2	588070547	YKBQAAPBZWKADG-UHFFFAOYSA-N	356.433	3.166	30	40	FGEB	
CC(C)Oc1ncc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1Cl	56810070	IQXGFBUAWFKSOV-UHFFFAOYSA-N	358.789	3.339	30	40	FGEB	
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N\CC)S2)cc1	18145561	BPYLSAOUUHWEAV-MJWGMMHASA-N	363.483	3.144	30	40	FGEB	
CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCCOC(C)C)cc1	78547322	HOVBPYJLKUGFIZ-GOSISDBHSA-N	361.438	3.185	30	40	FGEB	
CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(F)cc3)[C@@]12C#N	19874877	JHXWOSNCSXBZOP-NUEKZKHPSA-N	360.483	3.474	30	40	FGEB	
N#CC1(NC(=O)c2ccc(I)cc2)CCCCC1	40215320	XSAJTZNIRSOERA-UHFFFAOYSA-N	354.191	3.247	30	40	FGEB	
C=CCN(C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1)C1CCCC1	103469546	GMYGBBVLCKMIBY-UHFFFAOYSA-N	357.479	3.276	30	40	FGEB	
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1097202	CFPIXPNEFUXRMA-LSFURLLWSA-N	350.451	3.380	30	40	FGEB	
COc1ccc(/C=N\CC/N=C\c2ccc(OC)cc2OC)c(OC)c1	104151940	GBDTXBWYRXGCTF-JZTLMNBPSA-N	356.422	3.259	30	40	FGEB	
N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc(Br)c1	20637776	KJGIRTLXAVRGJP-SWLSCSKDSA-N	367.206	3.480	30	40	FGEB	
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1O	408928418	AZLWLVQRFWACSQ-VQGSKFNHSA-N	371.256	3.085	30	40	FGEB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc([N+](=O)[O-])cc1	408737269	MXBMRVISSLSSMD-PQFHHTBUSA-N	351.362	3.279	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1N=Cc1ccc(Cl)cc1Cl	408917988	DUMRVWQAWKQNCV-XMDOAZLISA-N	361.228	3.380	30	40	FGEB	
CCC(CC)CN1CCOC[C@]2(CC[C@H](CNc3ccc(C#N)cn3)O2)C1	306127261	FTLMQFYPWPGWTE-CTNGQTDRSA-N	372.513	3.051	30	40	FGEB	
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1F	48234639	SVXCEXGHOIVRSM-AWEZNQCLSA-N	352.413	3.186	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@H]3C#N)cc1C	16033727	SBYZGZPMKFVJRF-DOIPELPJSA-N	369.424	3.342	30	40	FGEB	
Cc1ccc(C(=O)C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1	16739601	SATCNCPOSXQHQE-RONKMWSCSA-N	351.431	3.190	30	40	FGEB	
COc1ccc(/N=C2\NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1	7275660	JKDZRJSCRCRTBC-GDNBJRDFSA-N	355.375	3.495	30	40	FGEB	
CSc1ncc(C)c(OCC2CCN(c3ccnc(C#N)c3)CC2)n1	1888870239	JRQXYKDIXHJXQF-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
N#Cc1c(NCCN2CCOCC2)nc(C2CCCCC2)c2c1CCC2	31809702	MTBZSOVXKRMLMO-UHFFFAOYSA-N	354.498	3.234	30	40	FGEB	
C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2ccccc21	20732602	FCHGJWWLJGHDDL-QFIPXVFZSA-N	368.396	3.130	30	40	FGEB	
CC(C)Oc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1	3137233	DCTSFCHSIJDBJM-QGZVFWFLSA-N	367.430	3.456	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1	4851904	WXWPCRQVGRRIHO-UHFFFAOYSA-N	372.425	3.369	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C2\CCCCc3ccccc32)cc1[N+](=O)[O-]	35772342	JEWLXGQQPYKPEU-HTXNQAPBSA-N	373.434	3.312	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cccc(OC)c1)N1CCCc2ccccc21	2207047	RVOAKATVSSAJPP-QOCHGBHMSA-N	353.422	3.437	30	40	FGEB	
CN(C)C(=O)CSc1ccccc1C(=O)OCc1ccc(C#N)cc1	5349893	MYPCQKCITJYVMU-UHFFFAOYSA-N	354.431	3.096	30	40	FGEB	
N#Cc1ncn(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1	14144083	XFTCXIFACNIPHC-MRXNPFEDSA-N	361.430	3.030	30	40	FGEB	
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccc(N(C)CCO)cc1	6507818	USHHRAZEUYYWSP-DEDYPNTBSA-N	367.478	3.227	30	40	FGEB	
C=CCn1c(N)nnc1SCc1cc(Cl)c2c(c1)OCCCO2	70040619	RMLYNTNFUUYYFD-UHFFFAOYSA-N	352.847	3.153	30	40	FGEB	
N#Cc1cnn(-c2ccccc2)c1/N=C/N1CCN(c2ccccc2)CC1	8382939	XLQUFSQPVPSBNN-HAVVHWLPSA-N	356.433	3.226	30	40	FGEB	
CCOC[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1	242649073	RTRAGWLEUVIDQT-VAMGGRTRSA-N	355.459	3.481	30	40	FGEB	
C[C@](O)(CNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1	72304494	DPSVQNQJAYQLRB-NRFANRHFSA-N	368.433	3.401	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC	5016765	XKWHYBAFEGLIMX-UKTHLTGXSA-N	357.749	3.298	30	40	FGEB	
Cc1nnc(N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1N	5943319	VPOARHHAWKOWFJ-ZBKNUEDVSA-N	350.304	3.025	30	40	FGEB	
N#C[C@H]1C(=O)Nc2nn(-c3ccccc3)c(O)c2[C@@H]1c1ccc(Cl)cc1	14163225	YPXIEQTWADRGOJ-HUUCEWRRSA-N	364.792	3.455	30	40	FGEB	
N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccccc2)[nH]c1=O	13136920	VNGPFKQOTPZXFR-UHFFFAOYSA-N	362.414	3.039	30	40	FGEB	
C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)s1	10389885	SMRXUTBYSIARLF-JTQLQIEISA-N	351.453	3.231	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)/C1=N\c1c(C)nn(-c2ccccc2)c1O	104228914	RZCYPMHRXRUHCF-UZYVYHOESA-N	359.389	3.382	30	40	FGEB	
COC(=O)c1ccc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)cc1	19791015	SNXKIOJYGMAVFF-HAHDFKILSA-N	365.477	3.242	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12	6625750	GBWKOHFFHFEALN-QVKFZJNVSA-N	373.456	3.414	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1ccc([N+](=O)[O-])cc1	4785959	CDRXUTSNZIMIDB-NWRYFCBHSA-N	353.469	3.372	30	40	FGEB	
CC(=O)c1cccc(O[C@@H](C)/C(O)=N/S(=O)(=O)c2cccs2)c1	68900954	SWJVLPOVUIKZIN-NSHDSACASA-N	353.421	3.063	30	40	FGEB	
Cc1ccccc1C(=O)OCC(=O)NCCSCc1ccccc1C#N	8428308	TUDUGQMFPVIBDD-UHFFFAOYSA-N	368.458	3.073	30	40	FGEB	
Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2sccc2C#N)c1	8709430	YJERYLKLQZCFSB-LLVKDONJSA-N	370.463	3.023	30	40	FGEB	
CC1=CC(=O)/C(=C\Nc2ccc(-c3nnc(-c4ccco4)[nH]3)cc2)C(=O)O1	1547200775	FBEXRRVPUYHWQX-GXDHUFHOSA-N	362.345	3.057	30	40	FGEB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccccc1	408743645	WMRUMJUTLWSJEB-FVOVHSBVSA-N	357.822	3.106	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(OC)c1	224808631	RTOHCLFFPILXQS-UHFFFAOYSA-N	369.389	3.363	30	40	FGEB	
Cc1ccsc1CN1C[C@@H]2OC[C@H](CCOc3ccc(C#N)cn3)[C@@H]2C1	253599260	NCNVGAYIGJFERB-BZSNNMDCSA-N	369.490	3.239	30	40	FGEB	
N#CC[C@@]1(O)CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1	592843773	UKXNQNTXFXIWQT-HXUWFJFHSA-N	370.836	3.410	30	40	FGEB	
Cc1nccc([C@H]2CCCN(c3ncc(Br)cc3C#N)C2)n1	585086743	PECKJZOCGJVLBP-LBPRGKRZSA-N	358.243	3.198	30	40	FGEB	
CCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1	5451362	OHWFJPBPUZJNCQ-HNNXBMFYSA-N	352.438	3.475	30	40	FGEB	
CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccccc1	13659148	MTHLXIIQPJXKFW-XDJHFCHBSA-N	372.841	3.422	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n1	5643463	PXTPLFRYVVIVEE-CYBMUJFWSA-N	369.446	3.268	30	40	FGEB	
Cc1cccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)c1	4905157	CWYNTPKWDOLMEU-UHFFFAOYSA-N	367.408	3.381	30	40	FGEB	
COc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1	40151565	SAJIWKWLEJDNBB-UHFFFAOYSA-N	352.438	3.163	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1F	102798484	HTQYXBCOTHIWFU-SELCWUDQSA-N	369.392	3.202	30	40	FGEB	
CN(Cc1ccc2c(c1)OCO2)C(=O)CSCc1ccc(C#N)cc1	47752352	KELJRKXTGHUORK-UHFFFAOYSA-N	354.431	3.179	30	40	FGEB	
N#CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	59135055	FKVVVGUTALDMBW-LFIBNONCSA-N	365.320	3.235	30	40	FGEB	
O=C1Nc2ccccc2/C1=N\NC(=S)Nc1ccccc1C(F)(F)F	6191212	UKYWEAVXNNEGNN-UHFFFAOYSA-N	364.352	3.348	30	40	FGEB	
C=CCN(CCN1C(=O)[C@H](C)Oc2ccccc21)Cc1cccc(C#N)c1	89919841	CIOWFDXRZUZDGL-KRWDZBQOSA-N	361.445	3.360	30	40	FGEB	
C=CCN1C[C@H](C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1=O	257367463	ZPXCRBBIHGGEAR-ORPNCOOFSA-N	352.478	3.110	30	40	FGEB	
C[C@H]1CN(c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1	31432521	CXZFVPRODOIVQO-OWCLPIDISA-N	364.449	3.058	30	40	FGEB	
COCCn1c(C)cc(/C=N/NC(=S)Nc2ccccc2OC)c1C	33787497	ZVWUOMXMKONIBK-XDHOZWIPSA-N	360.483	3.080	30	40	FGEB	
S=C(NCc1ccc2c(c1)OCO2)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	107455825	AOCOYSMUPRXTNV-AVHIKLNVSA-N	357.479	3.192	30	40	FGEB	
O=C(/C=C/c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCO2	5129733	SOLWLSWYQQZTSC-XVNBXDOJSA-N	351.402	3.191	30	40	FGEB	
N#CC1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1	84338487	JXMPLCYWTGBKDQ-UHFFFAOYSA-N	372.778	3.143	30	40	FGEB	
Cc1ccc(NC(=O)C/C(N)=N/OC(=O)Nc2cccc(Cl)c2)cc1	6550678	STAOIDYMQHCSOD-UHFFFAOYSA-N	360.801	3.498	30	40	FGEB	
Cc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(C[C@@H](C)CC1=O)N2	22608125	BJCFJWMOTDPJDU-BCTVWOGZSA-N	373.800	3.416	30	40	FGEB	
Cc1c(C#N)c(/N=C(\O)CN(CC(=N)O)C(C)C)n(Cc2ccco2)c1C	82111731	BJTWUDLVFKNRIW-UHFFFAOYSA-N	371.441	3.452	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1OC	8853107	CFKOKTRNPSECRW-VZUCSPMQSA-N	369.417	3.067	30	40	FGEB	
N#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21	409234313	ZHANNHLFOCUSIF-LDADJPATSA-N	356.385	3.258	30	40	FGEB	
C=CCOc1ccccc1[C@@H]1C[C@](C)(NC(C)=O)[C@@H]2CC=C(C)[C@@H](O)[C@@H]2O1	257288737	PVKWSLABPVVXKJ-BLCKVISQSA-N	371.477	3.303	30	40	FGEB	
Cc1ccccc1C(=O)N1CC[C@]2(CC(=O)N(c3ccc(C#N)cc3)C2)C1	585101592	JCUOJHHYOFWYRI-QFIPXVFZSA-N	359.429	3.136	30	40	FGEB	
C=CCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1	2627720	QFWRKZKAZVRJTJ-UHFFFAOYSA-N	351.453	3.015	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N2CCC(c3ccccc3)=N2)n1	8747618	RYXPPRRMAQGNRE-UHFFFAOYSA-N	350.447	3.299	30	40	FGEB	
N#Cc1ccc(CS(=O)(=O)NCc2ccc(OC(F)(F)F)cc2)cc1	10683608	RGZRDIVUIHEFPM-UHFFFAOYSA-N	370.352	3.076	30	40	FGEB	
COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3nnnn32)cc1	9660413	LAIASUJDSCEHFO-FOIQADDNSA-N	373.416	3.097	30	40	FGEB	
Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4C#N)sc3nc12	2722918	XPEVYHKHABFTJM-UHFFFAOYSA-N	360.398	3.342	30	40	FGEB	
C=CCn1c(C)cc(-c2csc(NC(=O)c3nccnc3N)n2)c1C	12752568	WWCJSPUGSMUKBB-UHFFFAOYSA-N	354.439	3.039	30	40	FGEB	
N#Cc1ccc(OC2CCN(c3ncc(Br)cn3)CC2)cc1	67371986	KIHIXGDQCJHXRV-UHFFFAOYSA-N	359.227	3.159	30	40	FGEB	
C=CCn1cc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)c2ccccc21	408917813	BMGFSEMJMFWLJL-MHWRWJLKSA-N	370.430	3.427	30	40	FGEB	
CN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1cccc(C(=O)O)c1	210582968	QOBYSJGKYWXFJP-MIQHFYGNSA-N	354.387	3.324	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3c(Cl)cccc32)cc1OC	46085234	NLFTXINHESLQCE-JZJYNLBNSA-N	360.797	3.472	30	40	FGEB	
CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN1C1CCCCC1	579310857	STOFBJFCBZJWPN-HXUWFJFHSA-N	354.498	3.497	30	40	FGEB	
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	5575166	SZAHIEIJJDKFRX-JJMGRXSGSA-N	374.477	3.156	30	40	FGEB	
COc1ccc(/C=N/n2c(S)nnc2-c2c(C)nc3ccccn23)cc1	575442903	RSCDLVLYBDMNHL-YBFXNURJSA-N	364.434	3.081	30	40	FGEB	
O=C1N[C@H](c2ccccc2)/C(=C(\O)c2ccc(Br)cc2)C1=O	101062608	IOQLVGIKVJQEND-SXWSKBOKSA-N	358.191	3.158	30	40	FGEB	
COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1[N+](=O)[O-]	10000995	ATZBIYNGQXMCCP-HSHIVQNRSA-N	356.334	3.336	30	40	FGEB	
Cn1ncc(/N=C/c2ccccc2OC(F)F)c1C(=O)NCc1ccco1	101603433	XTMWGAHYGFPNSE-ZVBGSRNCSA-N	374.347	3.295	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c(OC)c1	12347559	ZZZLHJBKUOSTBK-HNNXBMFYSA-N	369.421	3.333	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1ccc2c(c1)OCO2	12810567	FSVYHHCMBMMSTE-UHFFFAOYSA-N	363.373	3.251	30	40	FGEB	
NC(N)=N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	6452151	VYPZWWVRCGDIMK-AFUMVMLFSA-N	374.444	3.452	30	40	FGEB	
CC(C)[C@H](NC(=O)COc1ccccc1C#N)c1ccc2c(c1)OCCO2	6789664	FEULNZQJTYNPEU-NRFANRHFSA-N	366.417	3.222	30	40	FGEB	
N#Cc1ccc([C@@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1	91889285	LTPKYMKIIXEJFX-NRFANRHFSA-N	354.425	3.412	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)N1CCOCC1	409243245	RBGLFWZZPCENLB-BKUYFWCQSA-N	358.825	3.328	30	40	FGEB	
CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(Cl)c(C#N)c1Cl	95698934	COCVNTRFKPMJKX-XFFZJAGNSA-N	371.195	3.386	30	40	FGEB	
N#Cc1cc(N2CCC[C@H](F)C2)cc(N2CCC[C@H](F)C2)c1[N+](=O)[O-]	584086713	YMRBHGXNFDCCQJ-KBPBESRZSA-N	350.369	3.343	30	40	FGEB	
CCOC(=O)c1c(CSC2=CC(=O)C=CC2=O)oc2ccc(O)cc12	3107310	BSLGIZOKPCAMSL-UHFFFAOYSA-N	358.371	3.140	30	40	FGEB	
CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	104378394	DKMSCVCZHILAAK-FKYDJDFASA-N	360.413	3.380	30	40	FGEB	
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccnn1CCc1ccccc1	58162854	GXYZEUOETXPIJI-INIZCTEOSA-N	360.417	3.403	30	40	FGEB	
N#CCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1	10448656	IGGCMMMENSIVJP-UHFFFAOYSA-N	358.781	3.195	30	40	FGEB	
C[C@@H]1C(C#N)(C#N)[C@@]2(C#N)C(=N)O[C@@]1(C)O[C@@H]2C1=CC[C@@H]2C[C@@H]1C2(C)C	100799746	AFQQUICKZPLXEB-JXWTUALGSA-N	350.422	3.281	30	40	FGEB	
C=C1C(=O)O[C@@H]2/C=C(/C(=O)O)CC/C=C(/C)C[C@@H](OC(=O)/C=C(/C)CC)[C@@H]12	104207632	ILNNCSSDKBHGFO-YLQVSFRTSA-N	374.433	3.494	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nc(N)c1[C@H]2c1ccc(Cl)cc1	10339086	LZGZJPZUYVGDDS-ZDUSSCGKSA-N	369.856	3.495	30	40	FGEB	
C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC#Cc2ccc(Cl)cc2)C1=O	72313689	FLKWAIYATMQLDQ-CQSZACIVSA-N	366.804	3.244	30	40	FGEB	
Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C	408739542	CNZULUQBYHPUQP-MBTVCVBTSA-N	351.431	3.070	30	40	FGEB	
C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c(CC)c(C)sc21	32094942	DVDKWLRQFKTUHC-UHFFFAOYSA-N	351.435	3.225	30	40	FGEB	
Cc1noc([C@@H]2CCCN(C(O)=Nc3csc(-c4ccccn4)n3)C2)n1	329245289	AEEYAKLPUFYENF-GFCCVEGCSA-N	370.438	3.322	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(C(F)(F)F)n1	260721059	VYBHSCSUASXKLI-JTQLQIEISA-N	359.421	3.204	30	40	FGEB	
CC(=O)Nc1ccc(/C(C)=N/OCC(=O)N2CCCc3ccccc32)cc1	14397030	WYLZKPMWBZJIBE-HZHRSRAPSA-N	365.433	3.365	30	40	FGEB	
Cc1nn(CC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)c(C#N)c1C	31617535	DWYOSRUKULWIRH-UHFFFAOYSA-N	359.385	3.407	30	40	FGEB	
COc1cc(C(=O)N[C@@](C)(C#N)C(C)C)cc(OC)c1Br	32765240	AJAUCJVCHRDIOO-HNNXBMFYSA-N	355.232	3.134	30	40	FGEB	
N#Cc1cccc(NC(=O)CCSc2nccc(C(F)(F)F)n2)c1	32903568	LGENTNCCPVPZRY-UHFFFAOYSA-N	352.341	3.488	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(F)cc2)cc1	1304946	JYITUTIUAGZZFP-SFHVURJKSA-N	368.364	3.273	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](c1ccsc1)N(C)C	25330795	YTLCVLSTGIOQAU-MRXNPFEDSA-N	368.462	3.345	30	40	FGEB	
Cc1cc(C(=O)COC(=O)COc2ccc(C#N)cc2)c(C)n1C1CC1	8010405	HPSULJZYSDZJFH-UHFFFAOYSA-N	352.390	3.116	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)n2ncc(C#N)c2N1	101491526	AMTSUSYJNFHTMX-GOSISDBHSA-N	356.389	3.077	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1	3465701	RPZLYLGMMPWFIE-UHFFFAOYSA-N	368.437	3.468	30	40	FGEB	
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2oc(C)cc(=O)c2O)cc1	96114692	UIDXLGCSPCFYSC-MRXNPFEDSA-N	358.390	3.304	30	40	FGEB	biogenic
Cc1c(OC(=O)N2CCOCC2)ccc2c1O/C(=C\c1ccco1)C2=O	5387783	WCDXLDYTQCWONU-WJDWOHSUSA-N	355.346	3.035	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccco1	14168315	SDTAGRJTZJBOQT-UHFFFAOYSA-N	352.843	3.329	30	40	FGEB	
Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C3CC3)n2C)cc1	7235258	UTBDNCQPNPTSLQ-UHFFFAOYSA-N	355.467	3.040	30	40	FGEB	
N#Cc1ccsc1NC(=O)COC(=O)CCc1nc2ccccc2s1	7789629	NJPGOKJAEXZYFS-UHFFFAOYSA-N	371.443	3.344	30	40	FGEB	
Cc1nc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C#N)c(C)c1C	18358049	QQIBCHYNYKEXHR-AWEZNQCLSA-N	357.483	3.348	30	40	FGEB	
O=c1c2ccccc2ncn1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	409210205	FMBWVKPVSDAEPC-FBCYGCLPSA-N	363.160	3.494	30	40	FGEB	
CN(C)c1ccc(/C=C2\CNC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1	31817905	PQXIGFCAMSKVHL-IWGRKNQJSA-N	361.489	3.458	30	40	FGEB	
C[C@@H](C(O)=Nc1nc2c(s1)CN(C)CC2)n1ccc2ccccc2c1=O	329869204	YLRKYDLPFOYXTA-LBPRGKRZSA-N	368.462	3.295	30	40	FGEB	
O=C1[C@H]2CCC[C@@H]1CC(/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1)C2	48567583	MCKKQYPSKSYSAC-PBWFPOADSA-N	353.415	3.007	30	40	FGEB	
N#Cc1ccc(N2CCC[C@H](C3CCN(C(=O)C4CC4)CC3)CC2)nc1	1775990155	DAWZUAUVYBVEJN-KRWDZBQOSA-N	352.482	3.208	30	40	FGEB	
O=C(Cn1cnc(Cl)c1Cl)NOC(=O)Nc1ccc(Cl)cc1	2148021	OUTNLJCAIOVKOJ-UHFFFAOYSA-N	363.588	3.123	30	40	FGEB	
COc1ccc(/C=N/NC(=S)NCc2ccco2)cc1OCC(C)C	40161345	IEPMNJKEGVOAFS-KEBDBYFISA-N	361.467	3.321	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1F	102798482	HTQYXBCOTHIWFU-GHNGSUTGSA-N	369.392	3.202	30	40	FGEB	
N#Cc1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)nc1	95394893	JFWJHKQRAVYNSV-UHFFFAOYSA-N	368.868	3.345	30	40	FGEB	
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1	2312713	WWPOROOYMFADJY-DNTJNYDQSA-N	367.752	3.322	30	40	FGEB	
C=CCN(C(=O)[C@H](C)Oc1ccccc1)c1nc(C(=O)OCC)cs1	48344084	JJDHLKWIZBRRKM-ZDUSSCGKSA-N	360.435	3.306	30	40	FGEB	
C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C	96030815	NVEXGWVOAPQSMX-NEPXCIHASA-N	356.462	3.034	30	40	FGEB	
COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O	13570703	NVWKNYCCCLJTGO-RGVLZGJSSA-N	350.378	3.318	30	40	FGEB	
COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(C)c(C)c3)S2)cc1	5234029	BUSJUZBVSLSJEA-IUOVYFEOSA-N	367.474	3.476	30	40	FGEB	
CCOc1ccccc1-n1nnnc1SCc1ccc(C#N)cc1F	14016493	DIOQQEAAXMMOEE-UHFFFAOYSA-N	355.398	3.364	30	40	FGEB	
COc1ccccc1-c1noc(C2CCN(c3oc(C)nc3C#N)CC2)n1	80344553	KZWIDRTULYMRBW-UHFFFAOYSA-N	365.393	3.297	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O	409137888	ZISZXKVDWGVIRA-LDADJPATSA-N	352.365	3.483	30	40	FGEB	
CCN(C[C@H](C)C#N)S(=O)(=O)N1Cc2ccccc2-c2ccccc2C1	619709147	UFYQOHOPYCCUDC-MRXNPFEDSA-N	369.490	3.396	30	40	FGEB	
CCN1C(=O)/C(=N/NC2=C(C)[C@@H](C)[C@@H](c3ccccc3)C2=O)SC1=S	1554504445	TTYJKNPDIUVSHB-JSJLAPEBSA-N	373.503	3.046	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O	100237137	OCXRSLZMMPCDEY-FLYFUSMQSA-N	358.825	3.270	30	40	FGEB	
COc1ccc(N2C(=O)CC[C@@H](C(=O)OCC#N)[C@@H]2c2ccccc2)cc1	21513480	PGDQFYRJEOZIQD-QUCCMNQESA-N	364.401	3.246	30	40	FGEB	
C#CCN(CC(=O)Nc1cc(OC)ccc1OC)[C@H]1CCc2ccccc21	47406053	ZSGVGXCMHSPBBX-FQEVSTJZSA-N	364.445	3.265	30	40	FGEB	
c1ccc(C2=NC(=Nc3nc4ccccc4[nH]3)N=C2c2ccccn2)nc1	1713676	AKLDRBYUILNAAE-UHFFFAOYSA-N	351.373	3.333	30	40	FGEB	
N#Cc1nc(-c2ccco2)oc1N1CCN(CCOc2ccccc2)CC1	26949632	MYPBWXJJAWWLKV-UHFFFAOYSA-N	364.405	3.007	30	40	FGEB	
CCCC[C@@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)O	4687181	BRQMQWSFBSCECQ-GOSISDBHSA-N	357.450	3.107	30	40	FGEB	
N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccco1)N1CCOCC1	27795029	DESCWVGBLQJHTH-QGZVFWFLSA-N	364.405	3.292	30	40	FGEB	
Cc1cc(N=C2NC(=O)/C(=C/c3ccncc3)S2)cc([N+](=O)[O-])c1C	408815614	IFMLLSLZYHKSPX-NVNXTCNLSA-N	354.391	3.498	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C	7987823	HDCVINVFSZPXPV-GOEBONIOSA-N	371.510	3.486	30	40	FGEB	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@@]1(C#N)CCSC1	95447936	BEGVTZAOBHQARJ-QGZVFWFLSA-N	352.525	3.279	30	40	FGEB	
Cc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)c1	408529851	DHAQFOBIZIDUDK-ZDUSSCGKSA-N	353.353	3.044	30	40	FGEB	
C=CCNC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)nsc12	35289837	PBWOPDXHPKKLFN-UHFFFAOYSA-N	372.475	3.156	30	40	FGEB	
N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCCN2C[C@H]2CCCO2)CC1	585100518	LWUYDHDIFDIFNU-DENIHFKCSA-N	367.493	3.198	30	40	FGEB	
C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccccn1)C2	585106677	FEGQGTJIEWZKIO-JOCHJYFZSA-N	371.444	3.015	30	40	FGEB	
Cc1c(/N=C2\NC(C)(C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C	12372084	OEMLPNFLUSQLSH-UHFFFAOYSA-N	360.461	3.487	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1	102857794	FIPIXTATXJICBD-GHNGSUTGSA-N	369.392	3.284	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccncc1	1225110	NVTREGWYEKHNEN-CQSZACIVSA-N	357.483	3.019	30	40	FGEB	
C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1/C(=O)[C@@H](CO)N(C)C1=O	100658890	QNQBPPQLRODXET-YPFNAWONSA-N	373.493	3.021	30	40	FGEB	biogenic
N#Cc1ccccc1C(=O)c1cccc(CN2CCC3(CC2)OCCO3)c1	2515220	AHVODIBTTMXIJJ-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
N#CCCN(C(=O)COc1cccc2c1CCC2=O)c1ccc(F)cc1	12947231	MKMYLQDMWWBBTJ-UHFFFAOYSA-N	352.365	3.280	30	40	FGEB	
COc1ccc(OC)c(N/N=C/CCCN2C(=O)c3ccccc3C2=O)c1	4013290	PJAPXEYBXKRGRB-SRZZPIQSSA-N	367.405	3.178	30	40	FGEB	
C[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)C1=O	6129729	MIRJOPJTUDNXKK-HKKKZPGQSA-N	368.418	3.449	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccco1	5348728	YGKZULUSANWFGY-MRXNPFEDSA-N	373.372	3.167	30	40	FGEB	
COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br	4912975	SREJTBFKVSWLNO-JTQLQIEISA-N	350.212	3.068	30	40	FGEB	
C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC1(C#N)CCCCC1	7904788	NRJLLEHFIMXJJQ-LBPRGKRZSA-N	359.499	3.314	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1	409011825	ISNHMTLIUQAKDM-ZICWZVMQSA-N	357.362	3.084	30	40	FGEB	
N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3	35289276	GPWSCCWQKWCSOC-UHFFFAOYSA-N	370.415	3.022	30	40	FGEB	
O=C1Nc2cccc(C(F)(F)F)c2/C1=N/Nc1ccccc1[N+](=O)[O-]	17429760	UZODQOQNGDCSCC-UHFFFAOYSA-N	350.256	3.382	30	40	FGEB	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C#CC(=O)O	2049246195	MLMBQGHFDXSTPD-GROCBPGISA-N	358.478	3.129	30	40	FGEB	
O=C(C[C@H]1S/C(=N/C2CCCC2)NC1=O)Nc1ccc(F)c(Cl)c1	21132094	QHFIFNFCAVOZED-CYBMUJFWSA-N	369.849	3.338	30	40	FGEB	
C/C(=N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(C)cc1)c1ccco1	59475400	RXCZHQWJTMSQBB-SDZGWXOHSA-N	371.418	3.291	30	40	FGEB	
COc1ccccc1/C=C/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1	58152996	BQVZVMVLIULOCA-VQHVLOKHSA-N	366.826	3.243	30	40	FGEB	
COc1cc(/C=C/C(=O)OCc2ccc(C#N)cc2)cc(OC)c1OC	3292500	PWZDQRVMMOVITN-CMDGGOBGSA-N	353.374	3.341	30	40	FGEB	
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1	3366489	UIBZKLUBWIRRRY-UHFFFAOYSA-N	361.357	3.060	30	40	FGEB	
Cc1cc(Br)ccc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O	409411386	HMCWDOAZBNKQHC-UHFFFAOYSA-N	374.238	3.046	30	40	FGEB	
CC(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)NC2=O)c1	6503427	KDCGNSVEJFRHJE-INIZCTEOSA-N	367.430	3.137	30	40	FGEB	
Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1C	409302317	DCLSSFVGZOMBHE-UHFFFAOYSA-N	373.254	3.305	30	40	FGEB	
COc1cc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C(C)C)ccc1O	9484365	PLUDUQVJNMSJDO-XNTDXEJSSA-N	373.430	3.037	30	40	FGEB	
COc1ccc(/C=C/C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1OC	8209415	COJXQIZCCHUNTR-ONNFQVAWSA-N	360.797	3.234	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)CCSc1ccccc1	90610398	PRCWNLXYNPNZNN-UHFFFAOYSA-N	355.459	3.376	30	40	FGEB	
C#CCN1CCC[C@](C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)C1	19529997	NEVKGZYSYWEXPD-XMSQKQJNSA-N	368.477	3.157	30	40	FGEB	
CCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1OC	2631825	SOBQWPZEABXKHE-XDHOZWIPSA-N	362.451	3.023	30	40	FGEB	
C=CCOc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1	10370833	JXBILGAVYDZRIN-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
N#Cc1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(F)c1	58406458	UMXUMBZMDKKFJX-INIZCTEOSA-N	352.413	3.011	30	40	FGEB	
N#C[C@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCCC1	2307541	NKIVOSNKOKGQNL-KRWDZBQOSA-N	371.444	3.154	30	40	FGEB	
Cc1nn(-c2ccccc2)c(Cl)c1CSc1nc(=O)[nH]c(C)c1C#N	12813803	CRZKNONOFNEHGY-UHFFFAOYSA-N	371.853	3.390	30	40	FGEB	
CN1CCCc2cc(/C=C3\S/C(=N/c4ccccn4)NC3=O)ccc21	13726684	DUOBZFUHNYELDL-VBKFSLOCSA-N	350.447	3.356	30	40	FGEB	
CCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1Br	409344446	JILZTANLKVYHDB-MKMNVTDBSA-N	359.270	3.042	30	40	FGEB	
COc1cc(/C=N/c2cccc(C(=O)O)c2C)ccc1O[C@@H](C)C(=O)O	409018449	HKWGDUFZYOANBW-QDBSGRMGSA-N	357.362	3.304	30	40	FGEB	
CC1=NOC(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1	409087394	CIIVPBFSWNKTSZ-GZTJUZNOSA-N	357.387	3.079	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc(N)c2ccccc2n1	18342382	KHDLNUYTAPAZAG-UHFFFAOYSA-N	373.372	3.133	30	40	FGEB	
C#CCn1/c(=N/C(=O)C2CCCCC2)sc2cc(NC(C)=O)ccc21	100875833	WOPPOLFYDCYUSU-VZCXRCSSSA-N	355.463	3.302	30	40	FGEB	
CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN3CCOCC3)CC[C@H]21	33737235	MXGIYHZVIKLRKE-UZKOGDIHSA-N	355.478	3.420	30	40	FGEB	biogenic
C=CCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12	2296525	UUOSHTUCQQEXFY-UHFFFAOYSA-N	357.417	3.131	30	40	FGEB	
CN(C(=O)CSc1nc(N)c2ccsc2n1)C1(C#N)CCCCC1	58392542	RDRQNDCZWKMBQH-UHFFFAOYSA-N	361.496	3.050	30	40	FGEB	
COc1cccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)c1OC	3586555	DWQLXPVWYIXARV-UHFFFAOYSA-N	373.840	3.299	30	40	FGEB	
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCC#N)c3ccccc32)c(C)c1	4547123	WLQZIWPSZQMTON-QFIPXVFZSA-N	362.429	3.414	30	40	FGEB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1	4738586	IKZZISXDCDQADS-IEEVUCOHSA-N	359.744	3.081	30	40	FGEB	
COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)c1	5788550	NHXTXKZUPOCSOZ-GOSISDBHSA-N	352.390	3.215	30	40	FGEB	
N#CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCC1	84372815	MDYPIPWGTGUKRA-LBPRGKRZSA-N	365.355	3.011	30	40	FGEB	
C=CCSc1ccccc1NC(=O)Cn1cnc2sccc2c1=O	9722628	SBUGHJYSSPIKIM-UHFFFAOYSA-N	357.460	3.375	30	40	FGEB	
C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nnnn1C1CC1	95953376	RDOWHBUZCDSTER-NSHDSACASA-N	374.495	3.133	30	40	FGEB	
Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(F)cc3C#N)CC2)cc1	301376914	WGZOXXBZCAFDRF-UHFFFAOYSA-N	373.453	3.271	30	40	FGEB	
Cc1ccc(C)c(/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409236408	FSLXCWCLOFSOGL-HMAPJEAMSA-N	352.434	3.292	30	40	FGEB	
N#C[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2	218178377	PWULOKMHANZEPC-RRQGHBQHSA-N	361.806	3.148	30	40	FGEB	
COc1ccccc1/C=N/NC1=NC(=O)/C(=C\c2ccccc2OC)S1	222416635	LBEXSKGEDKVYHD-WYRLOYKNSA-N	367.430	3.298	30	40	FGEB	
C#Cc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(OC(F)F)cc2)c1	40151970	MSBAVWBORCLCRU-DHZHZOJOSA-N	370.355	3.037	30	40	FGEB	
O=C1C[C@@H](/N=C(/O)N2CCC(c3nccs3)CC2)CN1c1ccccc1	328740361	IKKCSYCFTUVBRG-OAHLLOKOSA-N	370.478	3.042	30	40	FGEB	
CCc1cc(N2CCC(Nc3ncc(Cl)c(C)c3C#N)CC2)ncn1	612087818	ZIZRYLNIIGEHGX-UHFFFAOYSA-N	356.861	3.348	30	40	FGEB	
N#Cc1ccc(CN2CCC(Oc3nccc(C(F)(F)F)n3)CC2)cc1	1775976169	VLYUDMSYOPNEPJ-UHFFFAOYSA-N	362.355	3.410	30	40	FGEB	
CCc1ccc(S(=O)(=O)/N=C2/SCC(=O)N2C2CCCCC2)cc1	4538097	BCXAKXVPSSKOCI-ISLYRVAYSA-N	366.508	3.202	30	40	FGEB	
N#CC(C1=N[C@H]2c3ccccc3C[C@H]2O1)C1=N[C@H]2c3ccccc3C[C@H]2O1	1875251769	PLCQFKBSQBOOOY-ZRNYENFQSA-N	355.397	3.316	30	40	FGEB	
CC(=O)NC(Nc1ccc(F)c(F)c1F)(C(F)(F)F)C(F)(F)F	3138054	IWOUUGZWRYHTRY-UHFFFAOYSA-N	354.172	3.473	30	40	FGEB	
CCOc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)c1	2232991	SZQSGMLGXDKCNF-UHFFFAOYSA-N	351.435	3.222	30	40	FGEB	
COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]34CCC(=O)C=C3CC[C@@]21O[C@@H]4OC	119225403	RWKSXLXAGGNKPV-QDSDANQYSA-N	374.477	3.413	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2	3302183	UUXWGZBCDWQAIE-UHFFFAOYSA-N	371.396	3.391	30	40	FGEB	
C=CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nnc1C1CC1	108876133	XBUFTGNYLLIPRO-SDADXPQNSA-N	360.527	3.375	30	40	FGEB	
COCCCCN1C(=O)[C@H](Oc2ccccc2F)[C@@H]1c1ccc(C#N)cc1	62581864	OQZPUAXQVPRMQJ-VQTJNVASSA-N	368.408	3.455	30	40	FGEB	
Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc(Cl)c3)C2=O)cc1	408529903	DKDQWJZAFPSETE-HNNXBMFYSA-N	355.781	3.250	30	40	FGEB	
C[C@@H](Sc1nc2cc(Cl)c[nH]c-2n1)C(=O)NC1(C#N)CCCCC1	5310154	RSEAPPNRTFLBBD-SNVBAGLBSA-N	363.874	3.386	30	40	FGEB	
C=CCOc1c(Br)cc(CNCCN(CC)CC)cc1OC	22076668	ZIYAMJJDXBZFQX-UHFFFAOYSA-N	371.319	3.454	30	40	FGEB	
C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1	69282116	XDIZSZRGMJUDCN-CZUORRHYSA-N	363.435	3.069	30	40	FGEB	
C#CCN(Cc1ccco1)C(=O)Nc1nnc(Cc2ccsc2)s1	72277991	GDHZOZJKAUCGIE-UHFFFAOYSA-N	358.448	3.451	30	40	FGEB	
CCOC(=O)CC1(CNC(=O)[C@H](C)Oc2cccc(C#N)c2)CCCCC1	89983651	ZFFPFZAHNCKDLB-INIZCTEOSA-N	372.465	3.345	30	40	FGEB	
Cc1noc(C)c1[C@H](C)C/C(O)=N/C[C@@H]1CCC2(CCOCC2)[C@@H]1O	328690424	IJUKKFWXLNNARY-HNJNHCNJSA-N	350.459	3.309	30	40	FGEB	
N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ccccc2Br)c1	331712308	CYJBKWKWJHQZSY-SMDDNHRTSA-N	374.242	3.449	30	40	FGEB	
COc1ccccc1C1(CNC(=O)c2ccc(C#N)cc2)CCOCC1	16970060	UPQDFFFQKSRYHP-UHFFFAOYSA-N	350.418	3.045	30	40	FGEB	
COc1nc(N/N=C\c2ccc(C(C)C)cc2)nc(N2CCCCC2)n1	30734260	IMXYSWMEIZINBD-MOSHPQCFSA-N	354.458	3.440	30	40	FGEB	
COc1cc(CNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc(OC)c1OC	20764040	CKVUZGKUMWKSFR-UHFFFAOYSA-N	372.381	3.116	30	40	FGEB	
C=CCn1c(SCC(=O)N(CC)CC)nc2sc(CC)cc2c1=O	3318938	UXGPCZFNZXSYDN-UHFFFAOYSA-N	365.524	3.167	30	40	FGEB	
CCOc1cc(/C=N/n2c(S)nnc2C(F)F)ccc1OC(F)F	8477908	UKKHUBMOBSFHKN-NGYBGAFCSA-N	364.324	3.387	30	40	FGEB	
CCCCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1	72312089	DBJKFSVMHMOXRU-KRWDZBQOSA-N	373.440	3.346	30	40	FGEB	
C#CCOc1ccc2ccccc2c1C=Nn1c(O)nc2ccccc2c1=O	409361589	SUEFTLROVBRCPS-UHFFFAOYSA-N	369.380	3.150	30	40	FGEB	
C=C(C)COc1cccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1	219781551	CBDZXTKQGZBROH-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
C[C@H]1Oc2ccc(NC3=C(Cl)C(=O)c4ccccc4C3=O)cc2NC1=O	40546344	KVHDMEPYFAGLHH-SECBINFHSA-N	368.776	3.348	30	40	FGEB	
COc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O	253568840	LSJKRDNFIMUTBO-YBSAJQQWSA-N	360.413	3.380	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2cccc(NC(C)=O)c2)cc1CC(=O)O	1776132552	XPQXWMQLBSDSGV-SOFGYWHQSA-N	353.374	3.177	30	40	FGEB	
CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CC2CCCC2)CC1	58268259	JQAVJOXMIRTYBL-UHFFFAOYSA-N	354.498	3.354	30	40	FGEB	
N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCCC3)C2)cc1	12875110	HSTYGNGESHJGCV-INIZCTEOSA-N	354.454	3.251	30	40	FGEB	
C=CCOc1ccc(C(=O)NC2CCC3(CCC(=O)N3CC=C)CC2)cc1	2055819344	GLDYRDUIESNQIJ-UHFFFAOYSA-N	368.477	3.471	30	40	FGEB	
C[C@H]1CN(c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1	31432517	CXZFVPRODOIVQO-XHSDSOJGSA-N	364.449	3.058	30	40	FGEB	
O=C(Cc1ccccc1[N+](=O)[O-])NCC#Cc1cccc(C(F)(F)F)c1	22358618	QQWSIXQRILYQFH-UHFFFAOYSA-N	362.307	3.324	30	40	FGEB	
CCOC1(OCC)[C@@H](c2ccccc2)C(C#N)(C#N)C1(OCC)OCC	721486	UBRMXSACLQWQSW-KRWDZBQOSA-N	358.438	3.356	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(c(N)[nH]c(=O)c1C#N)[C@@H]2c1ccccc1	78550090	AVGVQPMZKAFPLR-OAHLLOKOSA-N	360.417	3.029	30	40	FGEB	
Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1O	1244324	WLZVVUFUUOLBFU-GIJQJNRQSA-N	358.195	3.055	30	40	FGEB	
C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O	4908764	HNRVMRIRNAGTFB-MMOPVJDHSA-N	370.449	3.023	30	40	FGEB	
N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2)c1N	57964163	CIYZMNZITAZBHK-UHFFFAOYSA-N	369.331	3.180	30	40	FGEB	
C=CCN(CC(=O)NC(=O)NCc1ccco1)Cc1ccc(Cl)s1	57369368	JKRANVVRUDWJHX-UHFFFAOYSA-N	367.858	3.009	30	40	FGEB	
COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC(c2ccccc2)=N1	12786064	CLDNIMSARHEKLP-UHFFFAOYSA-N	369.808	3.236	30	40	FGEB	
O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccccc1Br	3438121	DUVICBGNJCGWDL-LICLKQGHSA-N	350.216	3.038	30	40	FGEB	
CC1=CC(=O)[C@@H](C(=O)/C=C/c2cccc(OCc3ccccc3)c2)C(=O)O1	3543737	VVWDQWLFEQMIIM-RQWLHQTBSA-N	362.381	3.494	30	40	FGEB	
C=CCOc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl	409406433	QPLUXBHCGLSQGZ-MGBSGCIJSA-N	356.809	3.046	30	40	FGEB	
C=CCn1ncc(CN(Cc2ccccn2)C[C@@H]2CCCN2CC)c1C	23247776	DKQMDODJIGUEHX-NRFANRHFSA-N	353.514	3.259	30	40	FGEB	
CCCOc1c(Br)cc(/C=N\n2cnnc2)cc1OCC	36476556	YBWAJOZVVIOLDU-LSCVHKIXSA-N	353.220	3.110	30	40	FGEB	
N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)O2	36559226	BDFTYLHZXJHGCS-AWEZNQCLSA-N	366.808	3.302	30	40	FGEB	
CCCCOc1ccc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc1OC	103085726	XODDYOBWNVUXAI-FNQPIQQGSA-N	358.390	3.102	30	40	FGEB	
C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C)C3	1245482	QSXCDHHMYOCWPA-SNVBAGLBSA-N	364.492	3.034	30	40	FGEB	
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1nccs1	4957285	ZJUFIOPCZNDRNU-GQDWROFLSA-N	360.464	3.123	30	40	FGEB	
CCCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O	1868906	ARHNFVYXILLAIQ-OAQYLSRUSA-N	371.481	3.023	30	40	FGEB	
CCCn1nc(C(=O)OCc2cc(C#N)ccc2F)c2ccccc2c1=O	10613736	MACTZMYOAJXVIB-UHFFFAOYSA-N	365.364	3.174	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C#N)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1C	101358871	SBYZGZPMKFVJRF-XRXFAXGQSA-N	369.424	3.342	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccc(F)cc1	13768249	ZERODMGTOXNGJA-UHFFFAOYSA-O	354.380	3.306	30	40	FGEB	
Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2	4487058	QNAFOLQACQIEHA-NSHDSACASA-N	360.841	3.366	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2ccccc2C(F)(F)F)[nH]n1	5625938	AJMJADDXISVDHV-CNHKJKLMSA-N	352.345	3.166	30	40	FGEB	
C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1	69282106	XDIZSZRGMJUDCN-BBRMVZONSA-N	363.435	3.069	30	40	FGEB	
N#Cc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)nc1	97527166	OTELCYSBNXEPQL-UHFFFAOYSA-N	363.284	3.099	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N\c3ccccc3S)C(=O)NC2=S)cc1	408756163	UJHJWYRVRXDJAR-XTBHVRTMSA-N	369.471	3.050	30	40	FGEB	
C#CCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2OC)C1=O	409237198	JXXORBIVISWIHM-ATVHPVEESA-N	356.447	3.355	30	40	FGEB	
COc1ccc(Cn2ccc(NC(=O)N3CCC(C)(C#N)CC3)n2)cc1	275196150	DZWWSFUYASAGTH-UHFFFAOYSA-N	353.426	3.098	30	40	FGEB	
N#Cc1ccc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cc1F	595647395	PVEHZXKWBOVMTL-ROUUACIJSA-N	353.397	3.069	30	40	FGEB	
CCN(CC)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1	4124041	YXMDIQCDLJBXNR-ARARYSNRSA-N	351.450	3.064	30	40	FGEB	
CC(C)OC(=O)CC(=O)CSc1nc(-c2cccnc2)ccc1C#N	5846181	SUXZBHRWKQXSNB-UHFFFAOYSA-N	355.419	3.018	30	40	FGEB	
COc1cccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c1	13776204	OTIMASWALDAMIE-UHFFFAOYSA-O	362.453	3.345	30	40	FGEB	
O=C(Nc1ccc(C#CC2(NC(=O)C3CC3)CCCCC2)cn1)C1CC1	19341848	UNLVRBWKDJWVOS-UHFFFAOYSA-N	351.450	3.011	30	40	FGEB	
C=CCn1c(S)nc2cc(C(=O)Nc3ccc(F)cc3)ccc2c1=O	3631272	FPELZYMFMZQKAR-UHFFFAOYSA-N	355.394	3.263	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C#N)C1	5189782	WLXSHJCRIZNEID-GFCCVEGCSA-N	374.487	3.157	30	40	FGEB	
CCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)S/C1=N/c1nnc(C)s1	101013987	GKTKFKRJKMEDHD-ITRXDLEASA-N	374.447	3.169	30	40	FGEB	
COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)cc1	102676501	ZPXPMXLZTDRJBW-YAJHFMINSA-N	362.389	3.204	30	40	FGEB	
O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCCSCC1	84374355	SIFOLTUMYMWJRF-UHFFFAOYSA-N	370.499	3.052	30	40	FGEB	
Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3F)c3n2CCC3)cc1	13769981	SQQGTLWLNCEIBK-UHFFFAOYSA-O	350.417	3.475	30	40	FGEB	
O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc(C(F)(F)F)c1	4899225	IDKIWPXVDZEQTI-PCQWDSEFSA-N	367.352	3.463	30	40	FGEB	
CCCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C	408708489	IQVZSLHZMATJAE-UHFFFAOYSA-N	361.486	3.240	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c(OC)c1	40059711	CGRKWROSJXSRNB-LFYBBSHMSA-N	351.402	3.492	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O	222488645	FFRJRVSCSJRNDF-RJZZCWSBSA-N	370.836	3.126	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C#N)N2C=Cc4ccccc4[C@@H]32)cc1	20441541	YNAOQICKJHRKCJ-FYQPLNBISA-N	355.397	3.034	30	40	FGEB	
C=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O	791261	HZSZICPNADYKCL-UHFFFAOYSA-N	355.419	3.213	30	40	FGEB	
C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1	3032705	OGERZLGSBBYVDO-UHFFFAOYSA-N	350.827	3.057	30	40	FGEB	
CCN(CC)c1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ncnn32)cc1	10339484	YLLFAILNWWSGEE-BFUOFWGJSA-N	351.454	3.392	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C)cc1	2487279	UGGHADDEDAMHSL-CZUORRHYSA-N	356.447	3.373	30	40	FGEB	
CN(Cc1ccc(Br)cc1)S(=O)(=O)c1cccc(C#N)c1	3423090	JQPYHAGKIFAHJY-UHFFFAOYSA-N	365.252	3.141	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/CCc3c(cnn3C)C2=O)cc1OC	96032784	FQNHUHRUAPLYJB-JYRVWZFOSA-N	356.809	3.307	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccccc2F)nc1C	13987471	WLBDEGGQPFWATI-UHFFFAOYSA-N	373.409	3.308	30	40	FGEB	
Cc1cccc(Cc2c(N)cc(C#N)n2CC(=O)N2CCC[C@@H](C)C2)c1	225858706	PWEGSQITRTXTTG-MRXNPFEDSA-N	350.466	3.100	30	40	FGEB	
Cc1oc(C#N)cc1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1	582524863	XALBRLVYKSDWKL-UHFFFAOYSA-N	366.417	3.473	30	40	FGEB	
CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1	5640206	XIAROBJZBXPNKK-MNDPQUGUSA-N	362.451	3.105	30	40	FGEB	
C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12	15109519	GAEPKURXFCRWEI-OAQYLSRUSA-N	359.429	3.405	30	40	FGEB	
N#Cc1ccnc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1	40049507	LMYBADUHRNXIJM-UHFFFAOYSA-N	373.460	3.106	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](c1ccsc1)N(C)C	25330794	YTLCVLSTGIOQAU-INIZCTEOSA-N	368.462	3.345	30	40	FGEB	
COc1cc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)ccc1OC(F)F	5347200	ZYBHTDKTDMNGCS-KWQFWETISA-N	373.402	3.099	30	40	FGEB	
Cc1noc(CCCC(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)n1	68454723	ZUWKLHDZHIJTAB-CYBMUJFWSA-N	353.209	3.389	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc3ccccc3cc2O)n1	7778393	UCIIBLHRQSDPLE-OAHLLOKOSA-N	366.398	3.344	30	40	FGEB	
Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc(C#N)cc2)c1C	24772520	QDSJSDMWRKPTPO-UHFFFAOYSA-N	364.449	3.074	30	40	FGEB	
COc1ccc([C@@H]2[C@@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	218127200	BKBNHTNUGHKWSB-ZACQAIPSSA-N	350.823	3.103	30	40	FGEB	
O/C(=N/CC1(c2ccccn2)CCC1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	329716864	WZHRVHZZPVOVBD-AJHHTPGJSA-N	355.482	3.091	30	40	FGEB	
CCCCCC(=O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O	13545845	YRTJDWROBKPZNV-UQRITWKRSA-N	350.455	3.459	30	40	FGEB	
CCN(CCO)c1ccc(/N=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1	16678682	HJBCGBGTOSPRFK-XDOYNYLZSA-N	364.449	3.309	30	40	FGEB	
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3ccccc3F)CC1)C2	19460741	LAXFVIWMSHUGQK-OPAMFIHVSA-N	370.468	3.493	30	40	FGEB	
Cc1ccc(/N=C2/S[C@@H](CC(=O)NCc3ccccc3)C(=O)N2C)cc1	1024183	FMENKEFAAAOSDG-XGIGFIBQSA-N	367.474	3.263	30	40	FGEB	
O=C1c2ccccc2C(=O)N1Cc1cccc(/C(=N\O)c2ccncc2)c1	4581272	SRQQMONERRCYGC-NMWGTECJSA-N	357.369	3.104	30	40	FGEB	
O=C(NCC#Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1	24928820	PHISFMBOFUXTMT-BUHFOSPRSA-N	372.468	3.106	30	40	FGEB	
COc1c2c(cc3c1[C@@H](C(=O)Nc1ccc(C)cc1)[N+](C)(C)CC3)OCO2	1902269	LYDYGCGQOAATQR-SFHVURJKSA-O	369.441	3.045	30	40	FGEB	biogenic
C#Cc1cccc(NCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1	12523169	IMZOUDGFPSXMJP-UHFFFAOYSA-N	368.458	3.445	30	40	FGEB	
C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cccc3cccnc23)C1=O	58210132	JRYZMOQNTGPFIR-OAQYLSRUSA-N	356.385	3.074	30	40	FGEB	
CCCc1n[nH]c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1	11464803	HETNNQKUHKGQNZ-UHFFFAOYSA-N	357.483	3.413	30	40	FGEB	
O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCC(c2ccccc2)=N1	14288925	BDEYKYQGXUBDGM-WSDLNYQXSA-N	373.359	3.275	30	40	FGEB	
CCCOc1ccc(/C=N/n2c(S)nnc2-c2[nH]nc3c2CCC3)cc1	5924022	SEQKVBUADSLSKM-YBFXNURJSA-N	368.466	3.117	30	40	FGEB	
Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1F	7235710	MJRRBSSZTFSONN-UHFFFAOYSA-N	373.438	3.285	30	40	FGEB	
Cc1ccc(C[C@H]2S/C(=N/N=C\c3ccc(N(C)C)cc3)NC2=O)cc1	16739391	RHAKDESVJBGCRV-LZAZYHHXSA-N	366.490	3.225	30	40	FGEB	
CCc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408743087	ZDRNETOPHNVGJS-DORSJAEJSA-N	351.431	3.015	30	40	FGEB	
COc1ccccc1/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408801410	SWAYIEHQZYWYHN-QLTNSANVSA-N	368.433	3.120	30	40	FGEB	
CCC(=O)N1CCN(c2oc(/C=C/c3ccccc3Cl)nc2C#N)CC1	36628900	QCMFGOGTIWJPGM-BQYQJAHWSA-N	370.840	3.429	30	40	FGEB	
C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1	224001676	KEPUDZPCENTJTO-UHFFFAOYSA-N	364.854	3.365	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)O	245239829	MLMBQGHFDXSTPD-LBCMOLISSA-N	358.478	3.129	30	40	FGEB	
C#CCN1CCC[C@@](C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)C1	19529971	MBPCREBAYFPQCK-UGKGYDQZSA-N	368.477	3.157	30	40	FGEB	
CCOC(=O)c1c(C)oc2c1/C(=C\NCCC(=O)O)C(=O)c1ccccc1-2	102998836	QWAIAVLWFXMYNQ-GXDHUFHOSA-N	369.373	3.033	30	40	FGEB	
COc1ccc(N2C=C3C(=O)c4ccccc4O[C@@H]3SCC2=O)cc1	988392	UTMYTTZKVTVWNF-LJQANCHMSA-N	353.399	3.260	30	40	FGEB	
N#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCCCCC1=O	42923271	FISRSGMSUIFILI-UHFFFAOYSA-N	361.445	3.358	30	40	FGEB	
N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21	2364962	ZDWVABVNEDMRQP-HXUWFJFHSA-N	368.820	3.451	30	40	FGEB	
COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)cc1OC	2271358	RMHUYGTZFXBHHO-SRZZPIQSSA-N	362.389	3.086	30	40	FGEB	
Cc1ccc(-n2c(C)cc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)c2C)cc1	12633183	ACRRYFIPLYQELF-UHFFFAOYSA-N	374.444	3.331	30	40	FGEB	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)c2ccccc21	28912737	LWDBVZOWSASZOZ-YRNVUSSQSA-N	363.778	3.302	30	40	FGEB	
Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)s1	5040615	PUYSFYZRYBIEHU-UHFFFAOYSA-N	361.448	3.171	30	40	FGEB	
N#Cc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3o2)CC1	7718921	PKDRNOMZRAQDOG-UHFFFAOYSA-N	361.401	3.484	30	40	FGEB	
CCCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C	8426339	BJXJYSFJFJFCAT-UHFFFAOYSA-N	352.504	3.142	30	40	FGEB	biogenic
CCOc1ccc(CN2C(=O)/C(=N\O)c3ccc(C)c(C)c32)cc1OC	46084674	KKXYYZVGHVVYPN-UZYVYHOESA-N	354.406	3.436	30	40	FGEB	
O=C1c2ccc(-c3ccc(C=Nn4cnnc4)o3)cc2C(=O)[C@@H]2C=CC=C[C@@H]12	254415203	SFJMNAXVASQKLI-HZPDHXFCSA-N	370.368	3.158	30	40	FGEB	
COC(=O)c1ccc(CNc2ncc(C#N)cc2F)c(Br)c1	1160862964	RWQOIQXXBOARTP-UHFFFAOYSA-N	364.174	3.254	30	40	FGEB	
C#CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	226337477	PXYKXDZDFLIZFA-YRNVUSSQSA-N	367.357	3.372	30	40	FGEB	
COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1	4572984	WRUHFNOWONONRI-BSBNDGSWSA-N	369.446	3.285	30	40	FGEB	
COc1ccc(C(=O)/C=C2/Nc3cc(Cl)ccc3OC2=O)cc1OC	100820666	VJCAJCNHNUGXLD-UKTHLTGXSA-N	359.765	3.455	30	40	FGEB	
NNc1c(F)c(F)c(-c2c(F)c(F)c(NN)c(F)c2F)c(F)c1F	1627059	NARLZLCXFUDITJ-UHFFFAOYSA-N	358.192	3.038	30	40	FGEB	
Cc1c(NCC(=O)N2CCCc3ccccc32)cc(C#N)cc1[N+](=O)[O-]	57151052	FQKGCDGXDSRIMV-UHFFFAOYSA-N	350.378	3.166	30	40	FGEB	
CC(=O)O[C@]1(C)C=Cc2ccccc2/C1=N\S(=O)(=O)c1ccccc1	103124159	IYGVTMMSYMSKCH-LFVOPCPISA-N	355.415	3.213	30	40	FGEB	
Cc1nnc([C@@H]2Cc3ccccc3CN2CCOc2cccc(C#N)c2)o1	58428070	FIOWYIPVLPGVKT-FQEVSTJZSA-N	360.417	3.428	30	40	FGEB	
COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)c(OC)c1	2273781	JJFLNAMUIOZKRK-SRZZPIQSSA-N	362.389	3.086	30	40	FGEB	
C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(C#N)cc3)cc2)C[C@@H](C)O1	63560617	JYLCJGPEKZGYDR-IAGOWNOFSA-N	363.461	3.097	30	40	FGEB	
CC(C)N1CCN(c2ccc(C(=O)O[C@@H]3CCCC[C@@H]3C#N)cc2)CC1	95456262	VVPLJWGVERMWCW-UYAOXDASSA-N	355.482	3.456	30	40	FGEB	
N#Cc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	408963295	YWKYHZYXQXEHBW-ZVHZXABRSA-N	372.428	3.122	30	40	FGEB	
C=CCOc1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)cc1OC	5128101	XYMQHSVCKXBDOW-WSDLNYQXSA-N	366.421	3.428	30	40	FGEB	
COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(F)cc1)=C2	40310067	IMUGFNURWMWXOH-UHFFFAOYSA-N	355.365	3.275	30	40	FGEB	biogenic
C=CCNc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1	8208987	YDSXKVRQKTVWDD-UHFFFAOYSA-N	351.497	3.439	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1	8810013	NDEHUDLFNLVUIW-UHFFFAOYSA-N	368.817	3.196	30	40	FGEB	
CCOC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)ccc1C#N	2118122	BCNAGCYTTYMKLE-UHFFFAOYSA-N	358.394	3.374	30	40	FGEB	
Cc1n[nH]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1	11708137	UQOAPGRASYMQFN-VIFPVBQESA-N	361.496	3.435	30	40	FGEB	
C/C(=N/N)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=C/C(=N/N)CC[C@]4(C)[C@H]3CC[C@@]21C	118916310	GUIUGRNHIOQLSU-PCUWJBHXSA-N	356.514	3.106	30	40	FGEB	
COc1cc(/C=N/OCC(=O)NC2CCCCC2)ccc1OC(F)F	3320114	JOZLGBGDSQPLMQ-KEBDBYFISA-N	356.369	3.096	30	40	FGEB	
N#CC1(C(=O)N2CCO[C@@H](c3noc(-c4ccccc4)n3)C2)CCCCC1	96000870	APIFTZLFHOSCAD-MRXNPFEDSA-N	366.421	3.111	30	40	FGEB	
O=S(=O)(N/N=C1\CCc2ccccc21)c1ccc(Br)cc1	5163937	CPUJMUKJYJEWEP-BMRADRMJSA-N	365.252	3.078	30	40	FGEB	
CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cn2ccccc2c1C#N	14054470	KYODZHMVOJTZMB-UHFFFAOYSA-N	350.334	3.118	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1	22834102	BNSQVCQMQXQFPF-UHFFFAOYSA-N	370.474	3.282	30	40	FGEB	
C=CCSc1ncc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1	6748037	SFUSKMNSWLNACQ-UHFFFAOYSA-N	363.826	3.067	30	40	FGEB	
Cc1noc(C)c1COc1ccc(/C=N/NC(=S)NC(C)(C)C)cc1	7781757	GRDQAMKPUQJFKW-VXLYETTFSA-N	360.483	3.467	30	40	FGEB	
Cc1cc(=O)c(C(=O)Nc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1	8061183	DUBINGBJTWGQKV-UHFFFAOYSA-N	364.792	3.318	30	40	FGEB	
CC(C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1	18194033	HKMXABKGNIDAPJ-NSHDSACASA-N	373.265	3.305	30	40	FGEB	
CCc1nnc([C@@H]2C(=N)S/C(=C\c3ccc(OC(C)=O)cc3)C2=O)s1	137429498	YBEARCMXGXEEFY-FOCIWHPXSA-N	373.459	3.444	30	40	FGEB	
O=[N+]([O-])c1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1	245232341	SSSRRPSNEAAEKL-UHFFFAOYSA-N	358.829	3.400	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)nc1	1318327472	QNONHIKXILUQDA-UHFFFAOYSA-N	360.421	3.068	30	40	FGEB	
O=C1CCCCC1=C(I)I	5566695	ZBDRCSSTKXSPFK-UHFFFAOYSA-N	361.948	3.211	30	40	FGEB	
Cc1ccc(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	663275	QBGAVAYAZDQZEI-UHFFFAOYSA-N	354.460	3.414	30	40	FGEB	
N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c2n3c(nn2c1=O)CCCCC3	3262747	VEAJYPLNLZVURA-UHFFFAOYSA-N	363.808	3.286	30	40	FGEB	
C=CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1	10326420	BAWAPPAWRSYTMF-OAHLLOKOSA-N	370.474	3.051	30	40	FGEB	
CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1	100973088	YYQNGSHAMLPABX-ZGTROFRASA-N	366.489	3.129	30	40	FGEB	
COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2OC)cc1	13583733	UZZPFXJWPXVSMB-YOPNLDQXSA-N	369.446	3.169	30	40	FGEB	
N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1Cl	4998827	VLKWULDPOUKGAB-UHFFFAOYSA-N	357.797	3.296	30	40	FGEB	
CS[C@@H]1C(C(=O)c2cccc(C)c2)=C(CC(=O)O)C(=O)N1CC(C)C	62716451	UGHLQIVCIVKVGI-LJQANCHMSA-N	361.463	3.136	30	40	FGEB	
C=C(CC)C[C@@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	32068391	DDETXFVRKGDIDT-SZNDQCEHSA-N	352.434	3.297	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218056227	WOPVTRZZWMQKRO-FGTMMUONSA-N	361.850	3.436	30	40	FGEB	
Cc1ccc2c(Nc3cccc(C#N)c3)c(C(=O)N3CCOCC3)cnc2n1	49004802	SNTWTJCTGQTPOS-UHFFFAOYSA-N	373.416	3.026	30	40	FGEB	
CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(F)ccc(Cl)c23)N(C)C1	579144866	VGVLTGLMBOXVRY-STQMWFEESA-N	362.836	3.054	30	40	FGEB	
C/C(=N\OCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc2c(c1)OCO2	585146025	QMXSRKJTBKZQKS-JKLOHUQNSA-N	372.465	3.487	30	40	FGEB	
NC(=S)N/N=C1\[C@H]2CCC[C@H]1[C@]1(O)CCCC[C@H]1[C@H]2c1ccccc1	245238938	CRAJHTZPJNQQPO-ZUILVLRASA-N	357.523	3.311	30	40	FGEB	
Cc1nc2c(c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n1)CCC2	12016948	AJLYCPZECWKNMH-UHFFFAOYSA-N	370.503	3.426	30	40	FGEB	
Cc1cnc(N(C)[C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)nc1	1889180432	DUZGDVGFXMBUPN-KRWDZBQOSA-N	358.449	3.310	30	40	FGEB	
COc1ccc(N2C(=O)CC[C@H](C(=O)OCC#N)[C@@H]2c2ccccc2)cc1	21513476	PGDQFYRJEOZIQD-ICSRJNTNSA-N	364.401	3.246	30	40	FGEB	
CC/N=c1/scc(C)n1/N=C/c1cc(Br)ccc1OC	103457284	MTDDDFQDKLAFOJ-LBUQVUKESA-N	354.273	3.432	30	40	FGEB	
C[C@@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3C#N)nc2N1	900588	HCYXJDLNWMBUHZ-HQJQHLMTSA-N	366.759	3.066	30	40	FGEB	
C=CCSc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC)cc1	9116309	ABQXNICZRGUTEM-UHFFFAOYSA-N	362.476	3.125	30	40	FGEB	
CCN(CC)C(=O)COc1nc(C(C)C)c2c(c1C#N)CC(C)(C)OC2	13688739	GNMJILGYMSQJNU-UHFFFAOYSA-N	359.470	3.175	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccc(F)cc1)C2	9420513	UYCMFGOXCIYYHD-UHFFFAOYSA-N	358.398	3.252	30	40	FGEB	
COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sccc2C#N)c1	7718333	GAJHABCNTIUARN-MRXNPFEDSA-N	371.462	3.413	30	40	FGEB	
C[C@@H]1CN=C(N2CCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)S1	95972089	MFGIXJRVCFNYRS-LLVKDONJSA-N	354.401	3.190	30	40	FGEB	
C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1ccc2ccccc2c1	69282109	XDIZSZRGMJUDCN-CJNGLKHVSA-N	363.435	3.069	30	40	FGEB	
CC1=C(NN=C2C(=O)CC(C)(C)CC2=O)C(=O)[C@H](c2ccccc2)[C@@H]1C	1554503601	PUMAWADKMFIYIQ-PXAZEXFGSA-N	352.434	3.167	30	40	FGEB	
Cn1ccnc1Sc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	10423981	VURLOJDGJGQAGX-UHFFFAOYSA-N	364.430	3.460	30	40	FGEB	
CC1=CC(=O)[C@]2(C)[C@H](CC=C3[C@H]2CC[C@@H]2CC(=O)CC[C@]32C)S1(=O)=O	4690292	HIZIVFAFGQVLQJ-PPOOEBMNSA-N	362.491	3.378	30	40	FGEB	
C[C@H]1CN(c2nc3sccn3c2C#N)CCN1Cc1cc(F)cc(F)c1	2298070623	BGEDEIOXJZAFNN-LBPRGKRZSA-N	373.432	3.256	30	40	FGEB	
COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3nc(SC)nn32)cc1	22608294	KFWWBZXMTSHQML-HWPZZCPQSA-N	356.451	3.277	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1c(c(N)[nH]c(=O)c1C#N)[C@H]2c1ccccc1	78550088	AVGVQPMZKAFPLR-HNNXBMFYSA-N	360.417	3.029	30	40	FGEB	
N#Cc1cc(F)c(NCc2ccc(N3CCC(CO)CC3)nc2)c(F)c1	58222945	JUJQJBSTLKQLBS-UHFFFAOYSA-N	358.392	3.052	30	40	FGEB	
COc1cc(CC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC	46440678	CZFJADBLTUPDGV-CYBMUJFWSA-N	365.389	3.008	30	40	FGEB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1O	12347658	XVVAGNRSUNCSEY-CQSZACIVSA-N	355.394	3.030	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccccc2C#N)c1	12910649	DKFAZQMBKAOXTH-KRWDZBQOSA-N	372.446	3.101	30	40	FGEB	
N#C[C@H](c1ccccc1)N1CCN(C(=O)/C=C/c2nc3ccccc3o2)CC1	14254966	PFLKVHZWIXLQNX-GNISGLHKSA-N	372.428	3.250	30	40	FGEB	
CCOC(=O)CCC(=O)Nc1nc(-c2ccc(OC)c(CC#N)c2)cs1	9048753	JSDBEQFJAACACK-UHFFFAOYSA-N	373.434	3.167	30	40	FGEB	
COCCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccc(OC)cc1	409104697	FBEJZJFZPZQGBV-KLAKZEAMSA-N	371.462	3.284	30	40	FGEB	
C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1	223838259	HUONVECFRMCARR-UHFFFAOYSA-N	361.419	3.147	30	40	FGEB	
COc1ccccc1OCCCN1C(=O)/C(=N\O)c2ccc(C)c(C)c21	46084647	UNGUDCCDQRCOEN-UZYVYHOESA-N	354.406	3.306	30	40	FGEB	
O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1cc(C2CC2)on1	85474082	AXSMNXIAUMWERI-UHFFFAOYSA-N	364.323	3.383	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1OC	5408731	WGMMVCXQMXKIEI-KRWDZBQOSA-N	371.364	3.051	30	40	FGEB	
O=c1c(Cl)c(N/N=C/c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1	5776080	KVGOFRMCRJMKCD-VXLYETTFSA-N	369.768	3.240	30	40	FGEB	
CC(C)c1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1	12437233	OHQOMMVUKMLLCJ-JXAWBTAJSA-N	368.506	3.312	30	40	FGEB	
CC[C@@H]1S/C(=N/c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O	100655865	GYVRYJYJSZOIOT-HEWTWTGNSA-N	360.460	3.417	30	40	FGEB	
N#Cc1c(COC(=O)CCCNC(=O)c2ccccc2)cn2ccccc12	32898841	NUIOJAPANPHAAX-UHFFFAOYSA-N	361.401	3.064	30	40	FGEB	
C=CCn1c(SCCCO)nc2sc3c(c2c1=O)CCCCC3	32910651	LNYGPIBBSWIROO-UHFFFAOYSA-N	350.509	3.387	30	40	FGEB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCCCC2)nc1	24148574	ZIHADTOUIDHBIX-HNNXBMFYSA-N	350.422	3.350	30	40	FGEB	
C=CCOc1cccc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)c1	55723963	FBMXZPCAIGXJEU-UHFFFAOYSA-N	359.451	3.484	30	40	FGEB	
N#CCCn1cc(/C=C2\SC(=S)NC2=O)c(-c2ccc(F)cc2)n1	9512083	XFWOSTZZTJEFLU-JYRVWZFOSA-N	358.423	3.092	30	40	FGEB	
N#Cc1cccc(/C=C/C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1	58413928	PQQQHRNRASFFHK-RMKNXTFCSA-N	363.436	3.491	30	40	FGEB	
N#CCCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2ccccc21	2204094	YQHJOHDNFYRPOO-GNNUASRNSA-N	360.413	3.197	30	40	FGEB	
COC(=O)c1cc(N/N=C2/C(C)=Nc3ccccc32)cc(C(=O)OC)c1	100812770	PKFHYLSCGOJDED-XLNRJJMWSA-N	351.362	3.182	30	40	FGEB	
CC[C@@H]1C(c2ccccc2)=[N+]([O-])[C@@](C)(C(=O)c2ccc(OC)cc2)N1O	2354485	RXOQXWFSOPJIBM-XLIONFOSSA-N	354.406	3.077	30	40	FGEB	
N#Cc1ccc(OCCSc2ccc(C(=O)N3CCCC3)cn2)cc1	39553318	GYEWNNUIUZJJTR-UHFFFAOYSA-N	353.447	3.360	30	40	FGEB	
O=S(=O)(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(Cl)cc1	6337343	JVEWLYHHKZFXQF-DYTRJAOYSA-N	371.849	3.466	30	40	FGEB	
CCCCCCOc1ccc(/C=N/Nc2nc(=O)[nH]nc2C)cc1OCC	4422734	WMNDHXPDPYIFNM-DEDYPNTBSA-N	373.457	3.277	30	40	FGEB	
N#Cc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1	14177323	HDOQKOVHPBTZIK-PDGQHHTCSA-N	357.369	3.030	30	40	FGEB	
N#C/C(=N\Nc1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2	5525110	SGNPUCAYJRRCDT-LPYMAVHISA-N	364.331	3.243	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCc2nnc(-c3ccc(F)cc3)o2)cc1	8341516	FRCFWXVMGBRIQO-KEBDBYFISA-N	355.325	3.213	30	40	FGEB	
CCCN1CCC[C@H]1/C(O)=N/S(=O)(=O)c1ccc2c(c1)CCCC2	95455063	PQAXAURCCPOYAP-KRWDZBQOSA-N	350.484	3.085	30	40	FGEB	
Cc1cc(C)c(NC(=O)CN(C)c2ccc(C#N)cc2[N+](=O)[O-])c(C)c1	8777281	ICELLLQBEMQMDP-UHFFFAOYSA-N	352.394	3.467	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1Cl	8884507	OKDPAAIUBFMOPD-CYBMUJFWSA-N	357.841	3.327	30	40	FGEB	
CCOC(=O)c1c(C)nc(N)c(C#N)c1-c1cccc(Br)c1	19898839	KFUCDFYNAAWYKD-UHFFFAOYSA-N	360.211	3.450	30	40	FGEB	
Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)nc(C(C)C)n1	21673886	KZVWRWGZBUXSOO-UHFFFAOYSA-N	366.425	3.015	30	40	FGEB	
Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccnc2)no1	102674125	CFFQVUCOLJYBJB-GROYHEBESA-N	361.357	3.004	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1F	809318	CSFFXHBKMJNFGG-AWEZNQCLSA-N	363.360	3.065	30	40	FGEB	
COc1ccc(/C=C2\Oc3c(cc(CN(C)C)c(O)c3C)C2=O)cc1OC	23127121	MSVQUPFCCLDDCC-NVMNQCDNSA-N	369.417	3.396	30	40	FGEB	biogenic
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1	939692	MILSHXPZOUEDLG-UHFFFAOYSA-N	373.416	3.349	30	40	FGEB	
Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1ccc(OC(F)F)cc1	108672592	VVWQFQVLUVBPIR-UHFFFAOYSA-N	369.331	3.301	30	40	FGEB	
N#Cc1ccccc1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1	7927206	NYIJCFWHNKMLHL-MRXNPFEDSA-N	355.463	3.239	30	40	FGEB	
C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3OC)n2)c1	33327377	GXSMNDNXZMPYOM-UHFFFAOYSA-N	365.389	3.093	30	40	FGEB	
C[C@@H]1C[C@H](NC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c2nccn21	1776007760	WFBDMZOCBGIXFH-HIFRSBDPSA-N	374.294	3.157	30	40	FGEB	
C=CCn1c(COc2cccc(C)c2)nnc1S[C@H](C)C(=O)NC1CC1	5869318	OKECOQXZDYTJJU-CQSZACIVSA-N	372.494	3.111	30	40	FGEB	
CCCCCC(=O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O	5820089	LOLJEILMPWPILA-DBNKTVNBSA-N	352.471	3.251	30	40	FGEB	
C=CCc1ccccc1OC[C@@H](O)CN1CCN(c2ccc(C)cc2)CC1	23212016	BEYGANIWMHXXHZ-QFIPXVFZSA-N	366.505	3.285	30	40	FGEB	
C=CCn1nnnc1NCc1cccc(OC)c1OCc1ccc(F)cc1	7601828	UWNHEHYCWBPLTC-UHFFFAOYSA-N	369.400	3.198	30	40	FGEB	
C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(Br)c1O	59104266	YMEOINJQMCOORS-AKIMYXQNSA-N	367.268	3.415	30	40	FGEB	
Cc1ccc(NC(=S)N/N=C/c2ccccc2OCC(=O)O)c(C)c1	3310095	NMOGMTCOXYYSMV-VXLYETTFSA-N	357.435	3.087	30	40	FGEB	
CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@H]3C#N)cc2)CC1	96004119	FGRMQWUBWBCEQK-FUHWJXTLSA-N	354.454	3.372	30	40	FGEB	
COc1cc(/C=N/c2nnc[nH]2)ccc1OCCOc1ccc(C)cc1	13943272	YSKDQOYEPWNQLA-UDWIEESQSA-N	352.394	3.330	30	40	FGEB	
COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1cccc(C#N)c1)CC2	5423440	SMGRHYZXMNYFGJ-CQSZACIVSA-N	365.433	3.133	30	40	FGEB	
Cn1cc(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cn1	6925520	BCLVTQSKVOFSSV-CMDGGOBGSA-N	353.334	3.396	30	40	FGEB	
N#Cc1ccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1	7927290	XZRKASIIVWAJCV-QGZVFWFLSA-N	355.463	3.239	30	40	FGEB	
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)n2)cc1	8937594	SQWMKDMGXUZUMZ-KPZWWZAWSA-N	373.482	3.015	30	40	FGEB	
Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccccc1SCCC#N	95944765	FCYRZDDXJKICJP-UHFFFAOYSA-N	354.391	3.083	30	40	FGEB	
COc1ccc([C@H](C#N)NCCCN[C@@H](C#N)c2ccc(OC)cc2)cc1	31659241	FKRDCLMTLCIITA-SFTDATJTSA-N	364.449	3.103	30	40	FGEB	
CCCCCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccccc2c1=O	33175298	RGTYAPXAWMTWSH-UHFFFAOYSA-N	372.454	3.085	30	40	FGEB	
C=CCOc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	225092597	IWDWLPDHRSBZKV-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1	68602786	ZZJDIROMGXKTCK-LJQANCHMSA-N	351.475	3.272	30	40	FGEB	biogenic
N#Cc1cnn(-c2ccccc2NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)c1N	597636471	IEPMQIGGUWUDRV-MAUKXSAKSA-N	371.391	3.480	30	40	FGEB	
C=CCn1ncc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1C	12330671	GUCXUPSTNKSYDC-UHFFFAOYSA-N	370.472	3.144	30	40	FGEB	
CN1C(=O)C[C@@H](C(=O)O)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1	12417036	OTDZQKKIVGYXEF-HSQOIQDDSA-N	366.748	3.395	30	40	FGEB	
CCOC(=O)/C(=N/c1cc([N+](=O)[O-])ccc1C)NNc1ccc(OC)cc1	5250270	AEAQZDAZGCWCQP-UHFFFAOYSA-N	372.381	3.122	30	40	FGEB	
C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1	4559377	IFRYBOHFRWWRGM-MRXNPFEDSA-N	368.408	3.060	30	40	FGEB	
CN1CCN(CC#C[C@@]2(C)CC[C@H]3[C@@H](O2)c2ccccc2OC3(C)C)CC1	20111516	SVAGWPUEXZOYPV-RRPUWOKSSA-N	368.521	3.335	30	40	FGEB	
Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)c(Br)c1	3232831	FUXRMYFHCZEVPK-UHFFFAOYSA-N	373.206	3.425	30	40	FGEB	
C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCCCC#N)cc1	21838322	MNRDIRYXTLGSLW-HZPDHXFCSA-N	358.438	3.315	30	40	FGEB	
CCOC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1	409084290	AYPIJYWXGYLGDJ-LSFURLLWSA-N	367.327	3.488	30	40	FGEB	
Cc1cccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c1	13814513	VDMCBPWQTSRKNW-UNOMPAQXSA-N	365.385	3.442	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C#N)cc2)n2ncnc2N1	4704181	UFLFPNRPZASQST-GOSISDBHSA-N	356.389	3.077	30	40	FGEB	
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(OC)cc2)cc1	5668963	GMSPRFHSESPUAZ-GOSISDBHSA-N	353.374	3.193	30	40	FGEB	
N#Cc1ncccc1N1CC[C@@H](COc2ccc(-c3ccccc3)nn2)C1	1888897645	LYCGTCLNTIZMEO-MRXNPFEDSA-N	357.417	3.316	30	40	FGEB	
N#Cc1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c1CCCC2	4325515	IUKWWELAUYPWHS-UHFFFAOYSA-N	374.487	3.301	30	40	FGEB	
C=CCSCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1	53158313	MFIBMQQMQSMNEM-UHFFFAOYSA-N	362.476	3.345	30	40	FGEB	
O=C1CC2(CCCCC2)CC(=O)C1=CNC[C@H]1COc2ccccc2O1	103840840	UXLKGKNPJYQCLN-HNNXBMFYSA-N	355.434	3.182	30	40	FGEB	
C#CCN(CC(=O)Nc1cc(OC)cc(OC)c1)[C@@H]1CCc2ccccc21	47406026	DQHGSDCTAPBPDM-OAQYLSRUSA-N	364.445	3.265	30	40	FGEB	
CC(C)C(=O)NCCNC(=O)c1ccccc1Sc1ccccc1C#N	25846667	FSJWAOJURJQMIO-UHFFFAOYSA-N	367.474	3.211	30	40	FGEB	
COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	100349914	NAGSBXOYHOIUCQ-CWGWECIMSA-N	368.433	3.120	30	40	FGEB	
COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)O)c(OC)c2)cc1F	12767510	VVFSMBWAXWJAJA-ZZXKWVIFSA-N	360.337	3.202	30	40	FGEB	
CCN(CC)c1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ncnn32)cc1	10339483	YLLFAILNWWSGEE-DJJJIMSYSA-N	351.454	3.392	30	40	FGEB	
Cc1nc(SCC(=O)OCC(=O)c2ccccc2)c(C#N)c(C)c1C	24984439	VBUJLCJKBKNTQG-UHFFFAOYSA-N	354.431	3.397	30	40	FGEB	
CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)CC1	3553040	WFLREBTVNSIJHX-UHFFFAOYSA-N	354.841	3.216	30	40	FGEB	
Oc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)c(O)c1	6299688	FKVZIJQUOBBQCF-UFWORHAWSA-N	355.341	3.437	30	40	FGEB	
C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O	6608724	HTEUTJMGTNAHRV-IBGZPJMESA-N	362.414	3.135	30	40	FGEB	
N#C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cnn(-c2ccccc2)c1	68400432	UIKVVRLANQSUBB-MOPGFXCFSA-N	358.401	3.119	30	40	FGEB	
COc1ccc(Cc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1	8846298	BPQVNRCOZFQPEY-UHFFFAOYSA-N	374.444	3.472	30	40	FGEB	
O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1	84393051	PPCBFEGYQZBKHV-UHFFFAOYSA-N	373.308	3.128	30	40	FGEB	
COc1ccc(C(=O)/N=C2\N=C3N=CC=CN3Cc3ccccc32)cc1OC	26770560	FNRQIQCPMYGTDT-NMWGTECJSA-N	374.400	3.061	30	40	FGEB	
COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(C#N)C#N)cc1	218115603	XWKDDDIBWIFTLI-IAGOWNOFSA-N	372.833	3.322	30	40	FGEB	
COCCOc1ncccc1N=C(O)N1CC[C@@H](C(F)(F)F)C1(C)C	330946367	AOOLEPZNWNKHND-GFCCVEGCSA-N	361.364	3.315	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C#CC(=O)O	245239826	MLMBQGHFDXSTPD-AFNVMLQPSA-N	358.478	3.129	30	40	FGEB	
O=S(=O)(/N=C(\O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCCC1	64620074	YEZYVKWYZNKVPR-UHFFFAOYSA-N	361.467	3.082	30	40	FGEB	
N#C[C@H]1C(=O)N=C(N2CCC(Cc3ccccc3)CC2)NC12CCCCC2	14163029	NONZYIQPTJFKFK-IBGZPJMESA-N	364.493	3.270	30	40	FGEB	
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1ccccc1)N1NC(=O)CC1=N	4538956	KDYAKARYKLSQMC-FZKQIMNGSA-N	361.430	3.359	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)[C@@H]4O[C@@H]4C(=O)[C@]3(C)[C@@H]1C2	252516563	UHNRJNAOOCIDDJ-CYVRZMQGSA-N	360.450	3.164	30	40	FGEB	biogenic,in-vitro
C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2	103373071	RCUGBORJCURMEI-LNMJFAINSA-N	352.482	3.111	30	40	FGEB	
C#CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1	12556151	MDLPCFRYBLHVDL-HRAATJIYSA-N	362.429	3.444	30	40	FGEB	
C=CCN(C(=O)[C@@H](C)Oc1ccccc1)c1nc(C(=O)OCC)cs1	48344082	JJDHLKWIZBRRKM-CYBMUJFWSA-N	360.435	3.306	30	40	FGEB	
COc1cccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)c1	9328193	AGWMXUVPMLUXMZ-UHFFFAOYSA-N	364.430	3.337	30	40	FGEB	
N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)nc1	71890482	TYBYQEBWASIACX-LJQANCHMSA-N	352.482	3.351	30	40	FGEB	
CCOc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\c3ccccc3)S2)cc1	18093557	HWZIJTZOESWHOY-MRXNPFEDSA-N	369.446	3.333	30	40	FGEB	
O=C(/C=C\c1cnn(-c2ccccc2)n1)/C=C\c1cnn(-c2ccccc2)n1	409022973	AGTRPUFNTQLFHG-XSYHWHKQSA-N	368.400	3.144	30	40	FGEB	
C/C(=N\Cc1cccnc1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O	95284069	SRZFDIAGMFSQGJ-CIAFOILYSA-N	363.446	3.488	30	40	FGEB	
C#CCOc1cccc(CN2CCC(O)(c3ccccc3OC)CC2)c1	12293009	ZRVFSIDKWJIYAO-UHFFFAOYSA-N	351.446	3.191	30	40	FGEB	
C=CCN1CCC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2	1565554699	DRQRJTPYSVSLKZ-QGZVFWFLSA-N	353.388	3.357	30	40	FGEB	
Clc1ccc(/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)cc1	100044049	AZNFSQIQXFWTMM-QOCHGBHMSA-N	352.869	3.267	30	40	FGEB	
CCn1c(SCC(=O)OCc2ccc(C#N)cc2)nnc1-c1ccco1	4788293	SJXGQSRQUJAXDT-UHFFFAOYSA-N	368.418	3.265	30	40	FGEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2C(=O)C1N=N1	118927992	INKNBLYOCYSZNF-XYNCURNNSA-N	356.466	3.468	30	40	FGEB	
N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccc(F)cc2)c1=O	3260982	KNHBMVNAKQIGPQ-UHFFFAOYSA-N	368.751	3.438	30	40	FGEB	
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1	408869747	QUNRRFDKHCFZFC-JYRVWZFOSA-N	359.363	3.396	30	40	FGEB	
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2(C#N)CCCC2)n1	7718992	DMTMUVVXZRJLAO-UHFFFAOYSA-N	368.384	3.325	30	40	FGEB	
N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	218437097	WJMHEDCEAQYCFT-JKSUJKDBSA-N	360.797	3.452	30	40	FGEB	
N#Cc1ccccc1C(=O)N1CCC[C@]2(CCCN2C[C@H]2CCCO2)CC1	585100519	LWUYDHDIFDIFNU-KNQAVFIVSA-N	367.493	3.198	30	40	FGEB	
C=CCNc1nnc(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)s1	32321073	NNUXAXABBXFOMN-UHFFFAOYSA-N	374.491	3.386	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1)c1ccco1	625839	MECKIBCAFPOBAE-PBHICJAKSA-N	371.364	3.176	30	40	FGEB	
C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(C#Cc2ccccc2)c1	24835404	PGGHFIGBGLAGOE-INIZCTEOSA-N	358.397	3.436	30	40	FGEB	
CC1=NN(CCC#N)C(=O)/C1=C/c1ccc(NC(=O)c2ccccc2)cc1	106986905	MJYOYNWNEHYSGR-XMHGGMMESA-N	358.401	3.454	30	40	FGEB	
Cc1ccc([C@@H]2CC(=O)C(/C=N/N=c3/nc(C)cc(C)[nH]3)=C(O)C2)cc1	9108801	FROSMJKAGSMFCP-XYHOIZSOSA-N	350.422	3.180	30	40	FGEB	
O=C(Cn1cc(/C=N/c2ccc(F)cc2)c2ccccc21)N1CCOCC1	4677013	FWUCAXBCJLEDND-YDZHTSKRSA-N	365.408	3.390	30	40	FGEB	
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2CC(C)C)cc1	97020517	JVKHTMFARPFZOD-LJQANCHMSA-N	372.513	3.234	30	40	FGEB	
CCOC(=O)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1	409235569	CHVJTRNEDGLCJT-XMOVILSBSA-N	371.389	3.474	30	40	FGEB	
COc1cc(C)c(/C=N/n2c(S)nnc2-c2ccccc2)cc1OC	409061109	VHWPNEBRXGKDNK-YBFXNURJSA-N	354.435	3.442	30	40	FGEB	
C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCC#N	408814997	QYNMOYIPKXCZFT-PTNGSMBKSA-N	358.419	3.382	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1	225924309	ZZKXTPOLTRRWQT-UHFFFAOYSA-N	374.558	3.320	30	40	FGEB	
COCc1ccc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1	5254193	YZPOBCMHECBXND-UHFFFAOYSA-N	358.781	3.154	30	40	FGEB	
C/N=c1/scc(-c2ccc(O)cc2O)n1/N=C/c1c(F)cccc1F	104738462	WKRQNBGIXKBCJW-SQWJJAGZSA-N	361.373	3.319	30	40	FGEB	
Cc1cccc(N2CCN([C@H](C)C(=O)Nc3sccc3C#N)CC2)c1	57338275	YFBFDRRXDDYPHP-OAHLLOKOSA-N	354.479	3.077	30	40	FGEB	
CC1CCN([C@@H](CNC(=O)N2CCC(C#N)CC2)c2ccccc2)CC1	57994698	FSQABTWUELAAQW-FQEVSTJZSA-N	354.498	3.405	30	40	FGEB	
CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccco2)C1=O	4942639	MQZZLGBVBCWACJ-KAMYIIQDSA-N	369.398	3.141	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O	409140703	RWIRTGSIALLBIB-LFIBNONCSA-N	366.373	3.120	30	40	FGEB	
CCCCO[C@H]1C[C@H](OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C1(C)C	89954789	CILFICWOHOMALI-ROUUACIJSA-N	374.481	3.323	30	40	FGEB	
C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc3[nH]ccc3c1)C2	96077094	GGNSKXUKZWXUBY-OAQYLSRUSA-N	351.450	3.341	30	40	FGEB	
Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(C#N)c3)n2)c1	15674369	XOJAEKKJUKPHQZ-MOPGFXCFSA-N	360.417	3.225	30	40	FGEB	biogenic,in-vitro
CC1(C)OB(c2ccc3c(c2)NC(=O)C32CCC(F)(F)CC2)OC1(C)C	203982708	GGOOSVKWEXAVAY-UHFFFAOYSA-N	363.213	3.385	30	40	FGEB	
COc1ccc(/C=N\NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1O	32575558	XWWKCAOIVPGKCW-UNOMPAQXSA-N	362.451	3.011	30	40	FGEB	
COc1cc(C(=O)/C=C2\C(=O)Nc3ccc(F)cc32)cc(OC)c1OC	32646549	XPMMDDBLOCINKH-LCYFTJDESA-N	357.337	3.070	30	40	FGEB	
CC1=CC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2/C1=N\OC(=O)c1cccc([N+](=O)[O-])c1	105298714	QLAPPSIXOBEVQR-KYGYNBBCSA-N	366.373	3.465	30	40	FGEB	
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	1476100	IIKBZNOQGXIGPT-LBPRGKRZSA-N	368.216	3.458	30	40	FGEB	
C[C@H](CC#N)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1	58263823	ZLVZPIPMPJWSNK-GFCCVEGCSA-N	350.260	3.402	30	40	FGEB	
CC(=O)/C(=N\Nc1ccccc1C)Sc1nnnn1-c1ccccc1	2204777	KLAYPKUJCIMPHE-KNTRCKAVSA-N	352.423	3.077	30	40	FGEB	
CCOc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3F)C2=O)cc1	11046836	PJPMBPCDALKQCA-FQEVSTJZSA-N	367.380	3.063	30	40	FGEB	
Cc1nc(C)c(S(=O)(=O)/N=C(\O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)s1	83150558	XBNDFIGTMSZTGL-ZIAGYGMSSA-N	361.448	3.081	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CN1CCOCC1	19559191	MHPXRRIYOWLKJW-KRXBUXKQSA-N	353.418	3.129	30	40	FGEB	
C[C@]1(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)CC1(Cl)Cl	15275509	BPXGAIMHPGPTFT-OAHLLOKOSA-N	373.211	3.199	30	40	FGEB	
Cc1cc(N)nc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1	95953371	CIYYPGCWKNYGAP-GFCCVEGCSA-N	373.507	3.492	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1C/C(O)=N/c1nc([C@@H]2CCCO2)n[nH]1	95477452	LIROIBKAYWZONX-INIZCTEOSA-N	366.425	3.289	30	40	FGEB	
C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	253617436	MLMBQGHFDXSTPD-OMZVWVDZSA-N	358.478	3.129	30	40	FGEB	
N#C[C@]1(C=O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	252514068	BBVPMVVRZBBECS-BBWFWOEESA-N	363.797	3.128	30	40	FGEB	
C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CCC1)C2	585106987	MYKFTDZLRDWZHS-JOCHJYFZSA-N	362.477	3.496	30	40	FGEB	
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC(C)(C)[C@H]1c1cccnc1	601420025	PVQWHQDZZGVXTE-QGZVFWFLSA-N	359.426	3.173	30	40	FGEB	
CC1=C(N/N=C2\C=CC(=O)c3cccnc32)C(=O)[C@H](c2ccccc2)[C@@H]1C	1554504457	VGYKTUPATMEDJC-KUAZSDFISA-N	357.413	3.404	30	40	FGEB	
CNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1	2630376	RDGYCOCKZWVGSB-KEBDBYFISA-N	363.870	3.355	30	40	FGEB	
CN(/N=C/c1ccccc1O)c1sc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]	5208450	HPNBAPQTZQHOFR-MKMNVTDBSA-N	356.747	3.394	30	40	FGEB	
C[C@@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1(Cl)Cl	3232930	OQENRONDEWGWIO-ZDUSSCGKSA-N	361.612	3.277	30	40	FGEB	
COc1cc(NC(=O)Cc2cccs2)c(C(=O)O[C@@H](C)C#N)cc1OC	5489866	JCHFSHCODHDXJP-NSHDSACASA-N	374.418	3.015	30	40	FGEB	
C[C@](C#N)(NC(=O)COc1ccc(Cl)cc1Br)C1CC1	7031790	MRJPAMRNEUCEEE-CQSZACIVSA-N	357.635	3.290	30	40	FGEB	
C=C(C)CSc1nnc(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)s1	7256397	KKCVNCUCYGBPQM-VIFPVBQESA-N	374.557	3.311	30	40	FGEB	
CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2	89775670	YAOCXLVSOJOTNH-OAHLLOKOSA-N	359.495	3.474	30	40	FGEB	
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OC)c1OCCC	409082017	RIKKCIIUQSVNGM-LFIBNONCSA-N	374.462	3.319	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2OC)cc1	66091547	MTOYTMBGKOEARK-SFHVURJKSA-N	353.374	3.193	30	40	FGEB	
Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1cncc(C#N)c1	569979749	ZKPFLJQCGNXATD-UHFFFAOYSA-N	368.393	3.264	30	40	FGEB	
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C#N)C=O)cc1	225661181	CLMHGDADCKOMCX-UFYCRDLUSA-N	353.443	3.206	30	40	FGEB	
C[C@]12C[C@@H](O)[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1	67665052	RJTDWMKVQUPGSY-YYKYIQLUSA-N	356.462	3.341	30	40	FGEB	in-vitro
COC(=O)CSc1[nH]c2nc(C)nc(Nc3ccccc3)c2c1C#N	5551925	ZJCQUMQRLSYNPD-UHFFFAOYSA-N	353.407	3.147	30	40	FGEB	
CCCn1nnnc1/N=C/c1ccc(OCc2ccccc2)c(OC)c1	6204994	VWEQQYBYPZVCNZ-DEDYPNTBSA-N	351.410	3.421	30	40	FGEB	
C=CC/N=C1/S[C@@H](C(=O)Nc2ccc(OCC)cc2)CC(=O)N1CC=C	100195465	WYRCCXRTKOUTNX-ZBBYCGENSA-N	373.478	3.086	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1	12893895	BACMRLWQQBENQN-HYSAVQALSA-N	359.429	3.449	30	40	FGEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cccc(C(F)(F)F)c1	5012141	IEHCLFDKPSUUJA-UHFFFAOYSA-N	358.323	3.298	30	40	FGEB	
C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)NC1(C#N)CCCCC1	6129324	MFMXPVNOWHZNGG-CYBMUJFWSA-N	373.457	3.230	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O	409054297	FGFJJVGKXBFDGN-LFIBNONCSA-N	367.382	3.403	30	40	FGEB	
N#Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)cc1	75572836	LDIBGFMYUHBDKG-UHFFFAOYSA-N	356.385	3.136	30	40	FGEB	
COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC	671790	QWOLJNMORSPBCU-VCHYOVAHSA-N	374.422	3.241	30	40	FGEB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	4028983	MOQTVGQHEGMMDS-RAJVXTTASA-N	361.555	3.499	30	40	FGEB	
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)c(OC)c1	7275303	OTHJEZSYFBDEGY-PXNMLYILSA-N	372.402	3.007	30	40	FGEB	
N#Cc1ccc(N2CC[C@@H](COc3ccc(-c4ccccc4)nn3)C2)cn1	1888897669	WRBLYMKOHFKWTR-MRXNPFEDSA-N	357.417	3.316	30	40	FGEB	
N#Cc1ccc(N2C[C@@H]3[C@H](CCN3Cc3ccc(F)cc3Cl)C2)nc1	1889122734	UTEDOMWXFBBVDF-CRAIPNDOSA-N	356.832	3.456	30	40	FGEB	
Cc1nccc(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)n1	24578188	GGUOOWKPIRFFKZ-UHFFFAOYSA-N	350.403	3.125	30	40	FGEB	
CCN(CC)CCCNc1oc(-c2ccc(OC)c(OC)c2)nc1C#N	2425158	AGJQAMBPGHFQIE-UHFFFAOYSA-N	358.442	3.374	30	40	FGEB	
O=C(O)COc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1Cl	59248331	PAOKSCJDRYJULA-REZTVBANSA-N	350.714	3.168	30	40	FGEB	
C=C(C)CN(CC)C(=O)c1cc([N+](=O)[O-])ccc1I	37253302	RCXVSYVHVXLEAL-UHFFFAOYSA-N	374.178	3.238	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccs2)cc1	6160851	ZDTUISCFMNAMTL-MLGOLLRUSA-N	357.431	3.016	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)O)cc1	19904148	NWYDLVZJGTYDRJ-GOSISDBHSA-N	365.385	3.048	30	40	FGEB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/N2C(=O)CSC2=S)o1	409345647	JVGCQLMZPWYEGV-REZTVBANSA-N	360.416	3.147	30	40	FGEB	
CC1(C)COc2c(OCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cccc21	9915593	JJPLZPLWPBUQEV-ZDUSSCGKSA-N	361.401	3.488	30	40	FGEB	
CCOC(=O)COc1ccc(C=C2C(=O)CC(C)(C)CC2=O)cc1OCC	33624341	KNWWANONGWUPIC-UHFFFAOYSA-N	374.433	3.369	30	40	FGEB	
CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1)c1ccc(C#N)nc1	1063974440	HGOCUGKZLOKUDA-VQTJNVASSA-N	352.482	3.064	30	40	FGEB	
N#C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	225641474	PWULOKMHANZEPC-KBRIMQKVSA-N	361.806	3.148	30	40	FGEB	
COc1ccccc1OCC#CCNC(=O)CSCc1ccccc1	90610377	WOFRUSOGLDVZLZ-UHFFFAOYSA-N	355.459	3.127	30	40	FGEB	
Cn1cnc(CN2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1	585295419	YVOHALSSWXTOTD-LJQANCHMSA-N	359.437	3.162	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1	57994422	HDKATNLQCKFJQL-SFHVURJKSA-N	370.405	3.434	30	40	FGEB	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	5204491	WFBKWPMTSJTYDR-SZNDQCEHSA-N	363.465	3.214	30	40	FGEB	
Cc1ccc([C@](O)(CCNC(=O)Nc2ccc(C#N)cc2)C(F)(F)F)o1	40067671	NLJQRWVWJPVALP-MRXNPFEDSA-N	367.327	3.421	30	40	FGEB	
Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(C)c1	32827717	ZZCSXYOOWISBIK-UHFFFAOYSA-N	350.422	3.003	30	40	FGEB	
C=C(C)CN(CC)C(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	52819325	MNMMWAQBIQYBLX-UHFFFAOYSA-N	366.527	3.074	30	40	FGEB	
C=CCN1c2ccc(C(=O)NCC(C)C)cc2-c2ccccc2S1(=O)=O	33271872	IHURGEVTEDWUCY-UHFFFAOYSA-N	370.474	3.434	30	40	FGEB	
O=C1CCCCN1c1ccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)cc1	53525418	HKOVOHHZFUORLR-UHFFFAOYSA-N	362.393	3.020	30	40	FGEB	
CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1	24444576	MMGHMMWNENQAPB-UHFFFAOYSA-N	370.352	3.278	30	40	FGEB	
CC(C)NC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)cc1	58193265	ORALKGBQNHDRCM-UHFFFAOYSA-N	354.410	3.366	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccccc2OC)sc2cccc(OCC)c21	100910352	QBUSPTTWACWIAU-MRCUWXFGSA-N	366.442	3.484	30	40	FGEB	
C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1	2704749	OPINVLDTIRJDKO-SFHVURJKSA-N	363.369	3.238	30	40	FGEB	
O=C1C(Cl)=C(NC[C@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21	104232734	YTWAVIDYSNUFKZ-CZUORRHYSA-N	358.869	3.370	30	40	FGEB	
CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCNc1cccc(F)c1C#N	48272122	LSMXXPHBCWDNPX-UHFFFAOYSA-N	369.444	3.368	30	40	FGEB	
COc1cc(C=O)ccc1OCC(=O)Nc1sc2c(c1C#N)CCCC2	20393327	UQGKWTGTTCGPBC-UHFFFAOYSA-N	370.430	3.337	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1O	49550652	ZSEVQIZOVXPPRE-SFHVURJKSA-N	364.405	3.127	30	40	FGEB	
Clc1ccc(N/N=C/c2ccccc2I)nn1	4962395	IVXDIFXNLMVEAS-VGOFMYFVSA-N	358.570	3.181	30	40	FGEB	
CC/N=C1/S[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1CC	16677624	GBRVMTXTLBRRKE-PQXWDWFGSA-N	373.400	3.374	30	40	FGEB	
Cc1cn2cnc(/N=C(/Nc3ccccc3)NC3CCCCC3)c2c(=O)[nH]1	13284110	GQTLEGLDKZBTCX-UHFFFAOYSA-N	364.453	3.353	30	40	FGEB	
N#Cc1ccccc1OCC(=O)N1CCS/C1=N\CCc1ccccc1	3287806	LNTGESZUDOFJOO-XDOYNYLZSA-N	365.458	3.111	30	40	FGEB	
COc1cccc(COC[C@@H](O)CSc2nc(C)cc(C)c2C#N)c1	24098251	NDBHNBMLSHLIIG-MRXNPFEDSA-N	358.463	3.249	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ncccc2c1=O	31615224	UIDOVMDKMCYQQB-UHFFFAOYSA-N	366.446	3.017	30	40	FGEB	
CC(C)CNc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)s1	23226963	JADDAJMTEHKCGA-LBPRGKRZSA-N	367.544	3.429	30	40	FGEB	
COc1ccc(CN(C)CC(=O)N(CCC#N)c2ccccc2F)cc1	7682576	RFMQFEZOIUBVCH-UHFFFAOYSA-N	355.413	3.213	30	40	FGEB	
CC(=O)N1CCN(c2c(Cl)ccc3sc(NN=C(C)C)nc23)CC1	57327935	UIAOGMXMHZHZGO-UHFFFAOYSA-N	365.890	3.426	30	40	FGEB	
CON/C=N\C(=O)c1c(OC)ccnc1Oc1cccc(C(F)(F)F)c1	13142345	XYCIQNAGIQFDRK-UHFFFAOYSA-N	369.299	3.221	30	40	FGEB	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1	8388386	JDSNTQDHWJXTBE-KRWDZBQOSA-N	374.444	3.445	30	40	FGEB	
CNC(=O)COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OC	40139538	XELHUUQAUXVWHH-LFIBNONCSA-N	351.402	3.033	30	40	FGEB	
N#Cc1ccc(N=c2cnc([C@@H]3CCCCN3Cc3ccccn3)c[nH]2)cn1	585294414	QVLORRXBVRBRTC-FQEVSTJZSA-N	371.448	3.031	30	40	FGEB	
Cc1ccc(/N=C2\SCC(=O)N2/N=C/c2ccccc2C(=O)O)cc1	12447498	MDNXHSOKOCXHJG-ANYDIMBLSA-N	353.403	3.290	30	40	FGEB	
N#C[C@@H](C(=O)c1ccc(Cl)c(Cl)c1)c1nnnn1-c1ccccc1	16523790	UUXPJKLUAYRPQV-LBPRGKRZSA-N	358.188	3.459	30	40	FGEB	
N#CCN(C(=O)COC(=O)CSCc1ccc(F)cc1)c1ccccc1	23869949	BCSGCGQVSAKQAT-UHFFFAOYSA-N	372.421	3.159	30	40	FGEB	
C=CC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O	100405517	YHVPNNBDVWVJFB-UFWORHAWSA-N	352.341	3.399	30	40	FGEB	
CN(C)CCC(=O)C(=Cc1cc(Cl)cc(Cl)c1)C(=O)CCN(C)C	1589116	YUEALUAHKNEWKR-UHFFFAOYSA-N	371.308	3.418	30	40	FGEB	
O/N=C1/[C@H]2CC[C@@H](C2)[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1	100971181	QEZLACWEDHEKLF-RQBAOQRFSA-N	353.388	3.456	30	40	FGEB	
CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccc(C#N)cc2)n1	58169039	OTMKIJRVADAIBK-UHFFFAOYSA-N	358.398	3.280	30	40	FGEB	
CCOc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)cc1OC	3339288	KJVKTOKUGIFRQH-AWQFTUOYSA-N	357.435	3.364	30	40	FGEB	
N#Cc1cccc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1	3553953	ZMCHLKOOOJAUDI-UHFFFAOYSA-N	359.179	3.344	30	40	FGEB	
Cc1ccccc1/C=C1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O	13776938	ZEFSKGHTPFEQKU-UNOMPAQXSA-N	365.385	3.442	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c(C)cc(C)cc2C)nc1	5167063	MAHPUAPLKUUERP-FYJGNVAPSA-N	374.510	3.483	30	40	FGEB	
COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(C)C)c(OC)c1)C2=O	4339913	XHDBNVAUWTYCBI-ZDLGFXPLSA-N	369.373	3.380	30	40	FGEB	
CCn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccoc1C	5364869	XQRCHDHLBXOCGL-UHFFFAOYSA-N	373.482	3.301	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)c(OC)c1	8322842	PTIQVDIQGFGODY-VMPITWQZSA-N	372.373	3.072	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O	409130295	HECSAALDYNIFND-SFQUDFHCSA-N	364.401	3.353	30	40	FGEB	
CCOC(=O)c1cccc(/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)c1	409011730	HJQUGMKYIKTQBA-KUARTLJMSA-N	371.389	3.474	30	40	FGEB	
COc1ccc2ccccc2c1/C=N\Nc1cn[nH]c(=O)c1Br	5009466	HIUNQQKRXDTWCO-LSCVHKIXSA-N	373.210	3.140	30	40	FGEB	
Cc1ccccc1OCC(=O)NC(=S)Nc1sc(C)c(C)c1C#N	14257833	KDSAZWQSUPPCNX-UHFFFAOYSA-N	359.476	3.437	30	40	FGEB	
C=CCNc1nc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cs1	3525712	SBXPKGZWXSAENI-UHFFFAOYSA-N	373.478	3.335	30	40	FGEB	
COc1ccc(OC)c([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c1	12409742	KKGJXDWPGBZNQU-INIZCTEOSA-N	370.409	3.309	30	40	FGEB	
COc1ccccc1NC(=O)c1c(/N=C/c2ccccc2O)cnn1C	13124299	VZCZPDQJDSDGQM-RGVLZGJSSA-N	350.378	3.137	30	40	FGEB	
N#CCc1ccc(OCc2cccc(NC(=O)N3CCOCC3)c2)cc1	47570312	BWQPHEZCSPIZIE-UHFFFAOYSA-N	351.406	3.196	30	40	FGEB	
O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1)c1ccco1	794988	YZOZYNJBZKFQDH-WMLDXEAASA-N	353.374	3.037	30	40	FGEB	
COc1ccc2c(c1)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)CO2	58192335	KKCVIUHNDFCHGA-QPEQYQDCSA-N	356.374	3.380	30	40	FGEB	
C=CCNc1nnc(S[C@H](CCC)C(=O)Nc2cc(C)on2)s1	10214038	ALFKHSHPDRLNGP-SNVBAGLBSA-N	353.473	3.332	30	40	FGEB	
O=C1/C(=C/c2cccnc2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1	13690200	LZOAQISWMKGWQA-JMIUGGIZSA-N	371.396	3.445	30	40	FGEB	
COC(=O)c1cc(-c2ccccc2OC)nc2c1c(C)nn2CCC#N	7778810	RACLUHGHCXVXOB-UHFFFAOYSA-N	350.378	3.116	30	40	FGEB	
CC(=O)Nc1ccc(CN2CCC[C@@H](COc3cc(C#N)ccn3)C2)cc1	1776008347	BMBSZBSUZHTYMR-LJQANCHMSA-N	364.449	3.203	30	40	FGEB	
C=CCc1cccc(/C=N/N2CCN(c3ccccc3OC)CC2)c1O	1193741	AOZZJYGEVUPNIO-CJLVFECKSA-N	351.450	3.285	30	40	FGEB	
C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](CC)C(=O)O)C1=O	2700874	ZCTWILHAPLRSOF-GVIGZQTCSA-N	363.460	3.316	30	40	FGEB	
N#Cc1c(OCC(=O)N2CCCC2)nc(C2CCCCC2)c2c1CCC2	32088633	IUBJHRZFVHHKQN-UHFFFAOYSA-N	353.466	3.491	30	40	FGEB	
CCn1cc(/C=C/C(=O)c2ccc(I)cc2)cn1	6490271	KYBZHMXEYZDCNW-FPYGCLRLSA-N	352.175	3.404	30	40	FGEB	
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)c2ccc(Cl)cc2)=C1O	9244179	PSBHZAFMQPLDMI-CQSZACIVSA-N	358.737	3.114	30	40	FGEB	
CCOc1cccc(/C=N/c2cc(C(=O)OC)ccc2C(=O)OC)c1O	44836010	XLQGPQUOJUYVGO-RGVLZGJSSA-N	357.362	3.115	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1OC	58201815	BLKSZUDHXWHJAY-UHFFFAOYSA-N	358.369	3.059	30	40	FGEB	
C=CCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12	2297411	MJRPJDNYKOFCRN-UHFFFAOYSA-N	357.417	3.380	30	40	FGEB	
Cc1ccccc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	48300099	HSMTUGQDSWQOFE-UHFFFAOYSA-N	364.405	3.174	30	40	FGEB	
C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1Cl	14018936	SHAVIEVVVBKXJT-LLVKDONJSA-N	358.785	3.409	30	40	FGEB	
Cc1csc([C@H](C#N)C(=O)CSc2nncn2-c2ccccc2C)n1	9322073	VZEWQUABGRJYPR-CYBMUJFWSA-N	369.475	3.309	30	40	FGEB	
Cc1ccc(Cl)cc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	408742802	YFWWRBKOVFKYIL-DGURAOSJSA-N	371.849	3.415	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CSc2ncccn2)n(Cc2ccco2)c1C	8490698	HGSLOQJDWBBYTD-UHFFFAOYSA-N	367.434	3.139	30	40	FGEB	
C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1cccc(C#N)c1	8985404	KZBMXYQSRLBRKS-LBPRGKRZSA-N	370.482	3.031	30	40	FGEB	
C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O	409125939	KUGNVWBWJBOLDZ-LFIBNONCSA-N	366.373	3.120	30	40	FGEB	
O=C[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1	218222981	HMTZHBTZFZNPHU-PMPSAXMXSA-N	365.248	3.204	30	40	FGEB	
O=C(O)c1ccc(N/N=C\c2ccccc2I)cc1	198659057	CQUGYSDSLDMZCN-SXGWCWSVSA-N	366.158	3.435	30	40	FGEB	
Cc1ccc(CN2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)s1	96072928	FIQACGQTWPIYBQ-LPHOPBHVSA-N	354.479	3.169	30	40	FGEB	
CCCCCCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O	97992794	VIKLPJAOJMZNDD-UHFFFAOYSA-N	360.458	3.209	30	40	FGEB	
C=CCn1cnnc1SCC(=O)Nc1ccc(C)cc1Br	5798385	WDRYRLXBEGCTDD-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
N#CCCN(Cc1ccco1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21	25702842	FZJZRABWKIDSBU-WIYYLYMNSA-N	354.450	3.450	30	40	FGEB	
CC1CC(C(=O)N2CCC[C@]3(COCCN(c4cccc(C#N)c4)C3)C2)C1	1565553964	IERKTWQFCLWRNI-RKOYOZNISA-N	367.493	3.050	30	40	FGEB	
CS(=O)(=O)Nc1cccc2c1CCCN2Cc1cc(C#N)ccc1F	52993017	FGHYAWAGHGDUIP-UHFFFAOYSA-N	359.426	3.022	30	40	FGEB	
CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC	7893752	RCZGCTSGAHQQDT-LICLKQGHSA-N	360.326	3.356	30	40	FGEB	
Cc1ccc(N2C(=O)[C@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1	2379003	RWQBCKNJAKXHOQ-KRWDZBQOSA-N	353.340	3.278	30	40	FGEB	
N#Cc1c(NC(=O)CSc2cccc[n+]2[O-])sc2c1CCCCC2	2630581	NESZXGJITDVZDH-UHFFFAOYSA-N	359.476	3.253	30	40	FGEB	
N#Cc1ccc(F)c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1	14138581	DXOOWVIQKQRBHB-UHFFFAOYSA-N	364.346	3.433	30	40	FGEB	
C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccccc3C#N)n2)C1	14141722	SBDIPLROZQXLNB-AWEZNQCLSA-N	370.478	3.264	30	40	FGEB	
CC1=NOC(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1	4838040	AQXZPZZTQWEMQL-LFIBNONCSA-N	357.387	3.079	30	40	FGEB	
COc1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cn1	409075465	ZALDVZIHGRAVDV-UUASQNMZSA-N	352.144	3.217	30	40	FGEB	
Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc(F)c(C)c3)C(=O)NC2=S)cc1	408760846	AFWRYUTYONPYQK-IZBZYRJBSA-N	369.421	3.209	30	40	FGEB	
C=CCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973241	KSXWQQVTBRGFJC-NRFANRHFSA-N	366.486	3.419	30	40	FGEB	
Cc1cc([N@+](C)(CC(=O)N2CCCCC2)Cc2ccccc2)nc(C)n1	247654808	ONRIGRKBQQUHFF-VWLOTQADSA-N	353.490	3.243	30	40	FGEB	
CC[C@H](C(=O)Nc1cccc(C#N)c1)n1ncc(-c2ccc(C)cc2)nc1=O	33324617	RLGHZWLISPNBJF-LJQANCHMSA-N	373.416	3.075	30	40	FGEB	
COc1ccc(-n2c(C)cc(/C=N/N3C(=O)CSC3=S)c2C)cc1	6961790	DPAKIXCMCPKFCS-GIJQJNRQSA-N	359.476	3.297	30	40	FGEB	
C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2cccc(Cl)c2)CC1	57024444	TVLAAAIOTOSNCT-MRXNPFEDSA-N	374.916	3.193	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3cc(C)ccc3C)C(=O)NC2=S)cc1	408766662	WKKWNQSCBGVKFY-XYHOIZSOSA-N	365.458	3.378	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c2ccccc21	112264999	LRRKHDQFQNOZJZ-NAMSLIHLSA-N	359.429	3.358	30	40	FGEB	
CCCCOc1ccc([C@@H]2C(C(C)=O)=C(C)Nc3ncnn32)cc1OC	4342114	MAQKIHVEVTXFKK-GOSISDBHSA-N	356.426	3.344	30	40	FGEB	
N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2cccs2)CC1	95956087	KPEWEOMEMMCITG-UHFFFAOYSA-N	374.897	3.029	30	40	FGEB	
COc1cc(OC)c(OC)cc1C=Nn1c(S)nnc1-c1ccccc1	252429496	VMZMTPLUJWCQGH-UHFFFAOYSA-N	370.434	3.142	30	40	FGEB	
Cc1ccc(-c2ccc(N3CCN(c4ccc(C#N)nc4)CC3)nn2)cc1	1775975263	FEJJSYDFUFWWFR-UHFFFAOYSA-N	356.433	3.045	30	40	FGEB	
O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2	5124778	BTHUQVVKVGENDV-VIZOYTHASA-N	369.358	3.215	30	40	FGEB	
C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1OCc1ccccc1	15012695	GGTDPFGLVBZZQW-BOPFTXTBSA-N	364.401	3.183	30	40	FGEB	
C=CCNc1ncc(-c2cc(OC)nc(OC)n2)c(-c2cccs2)n1	19550383	WSAXPTBVFYHMOB-UHFFFAOYSA-N	355.423	3.277	30	40	FGEB	
CC(C)=CC[C@H](OC(=O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O	5452635	BVRYLTBIGIAADD-INIZCTEOSA-N	358.390	3.327	30	40	FGEB	biogenic,in-vitro
O=C(O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(F)cc2)S1	96487388	QJWLICDFSGIBPB-XOMICKMZSA-N	372.421	3.475	30	40	FGEB	
CCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(OC)c(OC)cc21	101035607	PDJCUDOCAWSWKZ-VZCXRCSSSA-N	367.430	3.353	30	40	FGEB	
C=CCn1c(S[C@@H](C(=O)N(C)C)C(C)C)nnc1-c1ccc(OC)cc1	58195650	SSGAAPWKFAQHFM-MRXNPFEDSA-N	374.510	3.345	30	40	FGEB	
C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@@H](C(=O)CCCCC)[C@@H]1C2	59200520	XXKNHBAFFJINCK-KQHVIKOWSA-N	358.434	3.443	30	40	FGEB	
COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H]1CCCc2ccccc21	8335371	FQUIFELGVISDNP-GOSISDBHSA-N	350.418	3.482	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2c1ccnc2ccccc12	18200607	AJEGANXNHBCDAC-QGZVFWFLSA-N	360.421	3.067	30	40	FGEB	
Cc1ccc(C)c(OCC/C(O)=N/S(=O)(=O)N2CCc3ccccc32)c1	95393824	XRIRFVNBPBQOGZ-UHFFFAOYSA-N	374.462	3.336	30	40	FGEB	
N#CCN(CC#N)S(=O)(=O)c1ccc(Oc2ccccc2)c(Cl)c1	95960008	PJEGACMPGFCMLH-UHFFFAOYSA-N	361.810	3.170	30	40	FGEB	
CN(C)c1ccc(/C=N\c2nnc(/N=C/c3ccc(N(C)C)cc3)[nH]2)cc1	5334067	NENQUGHKNDBMGF-VOKWCDJLSA-N	361.453	3.438	30	40	FGEB	
N#Cc1cccc(N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)n1	1888842863	SGKSCINXNFOERE-KBPBESRZSA-N	358.243	3.285	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1	18355252	QZPSDLDIKUQEOF-IBGZPJMESA-N	364.445	3.135	30	40	FGEB	
N#CCc1ccc(NC(=O)COC(=O)c2ccc(-c3cnco3)cc2)cc1	40151881	WSRSTIKOTVPXEN-UHFFFAOYSA-N	361.357	3.203	30	40	FGEB	
N#Cc1ccc(NC(=O)c2cn(-c3ccccc3Br)nn2)cc1	32815764	RRBWCKAXVDQDAN-UHFFFAOYSA-N	368.194	3.154	30	40	FGEB	
CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1	102883723	ZCALUWHATVXIOS-GROYHEBESA-N	370.474	3.122	30	40	FGEB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCC#N)n2CC	6082716	OIVXQXNQYXIESX-UHFFFAOYSA-N	366.512	3.092	30	40	FGEB	
Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)n2c(nc3ccccc32)c1C#N	108846875	HRFCLUYNDCXEQL-MRXNPFEDSA-N	371.448	3.176	30	40	FGEB	
Cc1cccc(C)c1NC(=O)[C@@H]1CN(c2c(C)cccc2C)C(=O)/C1=N\O	104274224	UXYTXQQYBQSZPT-PDNPPFGYSA-N	365.433	3.352	30	40	FGEB	
Cc1cc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)n2c2ccccc12	3495924	XJFPCOOXIGGRHN-LJQANCHMSA-N	367.478	3.338	30	40	FGEB	
C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccccc1	5274796	MGESDBGHXGQNMV-QGZVFWFLSA-N	367.380	3.178	30	40	FGEB	
N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccco1)N1CCOCC1	27795031	DESCWVGBLQJHTH-KRWDZBQOSA-N	364.405	3.292	30	40	FGEB	
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccccc1Br	408997470	GQHWMSPPPVJFJA-CAOOACKPSA-N	351.273	3.024	30	40	FGEB	
COc1cc(/C=N/Nc2nc3ccccc3[nH]2)cc(Br)c1O	4149545	JJNQFRKBBCFVRC-CAOOACKPSA-N	361.199	3.486	30	40	FGEB	
CCOc1ccc2nc(N=C3NCN(C4CCCCC4)CN3)nc(C)c2c1	19332441	IRBSMQPTAPFRKL-UHFFFAOYSA-N	368.485	3.067	30	40	FGEB	
CSc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1	4517522	DPOHGIFMMGOXMU-UHFFFAOYSA-N	371.487	3.499	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(F)c21	100877822	CEAZZJDXKXJJIN-ZPHPHTNESA-N	355.350	3.124	30	40	FGEB	
COC(=O)/C(O)=N/c1nnc(Sc2c(Cl)cccc2[N+](=O)[O-])s1	20031856	CYSMISRDMUBMMQ-UHFFFAOYSA-N	374.787	3.012	30	40	FGEB	
Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCNCC3)o2)o1	40165768	OWSSBKMVLGNVLS-UHFFFAOYSA-N	364.405	3.103	30	40	FGEB	
Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	100420983	ZGAHLNIDBUQCQV-ZFWWWQNUSA-N	364.401	3.063	30	40	FGEB	
C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OCC)cc2)c2ccccc21	783761	VFQKIFJUGXQKFG-OAQYLSRUSA-N	351.402	3.079	30	40	FGEB	
N#Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc2c1CCC2	1936063	MJPBMGGBKHNDJP-MDZDMXLPSA-N	352.415	3.304	30	40	FGEB	
C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(C)c(=O)c2ccccc12	7980426	YCKDCSBVUVZWPD-UHFFFAOYSA-N	373.865	3.477	30	40	FGEB	
C=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)ccc21	8047457	FEKRMAYQDMFJAJ-HXUWFJFHSA-N	350.418	3.284	30	40	FGEB	
COC(=O)C1=C(C)N(c2ccccc2)/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	59516276	DYWBNCZTWXUNFC-SFQUDFHCSA-N	364.357	3.472	30	40	FGEB	
C[C@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2)CC1(Cl)Cl	3270228	QHKUQGBFJJRZOQ-CQSZACIVSA-N	356.278	3.392	30	40	FGEB	
CCOc1ccc(NC(=S)N/N=C/c2cc(OC)ccc2OC)cc1	2769573	LTAFTOAVWNKRCI-XDHOZWIPSA-N	359.451	3.423	30	40	FGEB	
COc1ccc(CCNC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC	6758337	JDGABAWTQXJANJ-UHFFFAOYSA-N	371.462	3.490	30	40	FGEB	
COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2csc(C)n2)cc1C	66887540	LZOLXHAIZSRUIF-QPJJXVBHSA-N	352.437	3.127	30	40	FGEB	
N#C/C(=N\Nc1cc(C(=O)O)cc(C(=O)O)c1)c1nc2ccccc2s1	4965739	UTLONJGRJPIIMS-FYJGNVAPSA-N	366.358	3.032	30	40	FGEB	
C=CCOc1ccc(CN(C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	8533081	FIKIUSOEMRDWCR-UHFFFAOYSA-N	355.482	3.368	30	40	FGEB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1C#N	5787179	WQGCFNGITAJFSI-SZVBFZGTSA-N	373.449	3.484	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1Cl	6420169	HZRIPTGZMPDRTR-WQLSENKSSA-N	355.246	3.035	30	40	FGEB	
C=CCO[C@@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)c2cc(C)ccc21	1565543046	KIQYPLFUQYXSGZ-JYRKZWEQSA-N	367.489	3.395	30	40	FGEB	
Cc1sc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c(C#N)c1C	10621186	OGLYBUZQVAEPMG-UHFFFAOYSA-N	362.476	3.180	30	40	FGEB	
COc1cc([C@H]2C3=C(CCCC3=O)Nc3onc(C)c32)cc(OC)c1O	13730883	AOMPUFYUZFXEJJ-MRXNPFEDSA-N	356.378	3.270	30	40	FGEB	
COc1ccc(/N=C2\C(=O)c3ccccc3C(O)=C2NC(C)=O)cc1OC	104298659	NBXOHMSFPDUFJG-PYCFMQQDSA-N	366.373	3.036	30	40	FGEB	
COc1cc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)ccc1OC(C)C	48598021	VTXHCFYECNMETQ-UHFFFAOYSA-N	374.418	3.048	30	40	FGEB	
N#Cc1ccc(OC[C@H](O)CNCC2(N3CCCCC3)CCCCC2)cc1	39935256	STXKZTUSPUIUHY-HXUWFJFHSA-N	371.525	3.076	30	40	FGEB	
Clc1cccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1	4578432	HGIXUQVFMCVIFK-DEDYPNTBSA-N	371.876	3.171	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cccc(C#N)c2)c1	8058910	UKRNNBWBKBDMRY-SFHVURJKSA-N	372.446	3.101	30	40	FGEB	
CCOc1ccc(S(=O)(=O)/N=C(O)/C=C/c2ccc3c(c2)CCO3)cc1	89991183	OWWGGOKKIBPAIA-ONNFQVAWSA-N	373.430	3.379	30	40	FGEB	
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(N3CCOCC3)cc2)c1O	254401252	BOZIGKFZUQXGBT-UHFFFAOYSA-N	371.393	3.286	30	40	FGEB	
COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c1	12347537	SFJOPNNFDXVKFH-HNNXBMFYSA-N	369.421	3.333	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1F)n1ncnc1N2	19959890	FBSXJLNPHRQVAO-ZMZPIMSZSA-N	350.353	3.426	30	40	FGEB	
CCOc1ccc(S(=O)(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1	3526728	JIXBNIRIDNOIRQ-XDHOZWIPSA-N	357.435	3.187	30	40	FGEB	
COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O	6072803	CXJIPGORXHHPMD-HIPMGEKLSA-N	354.358	3.252	30	40	FGEB	biogenic
C=CCOC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)nc1	20404832	ZWRCYDPAWIAZPV-UHFFFAOYSA-N	357.841	3.404	30	40	FGEB	
N#Cc1ccccc1/C=C/C(=O)NCc1ccnc(OCC(F)(F)F)c1	32293922	KJAQFJQUHSPUEU-AATRIKPKSA-N	361.323	3.224	30	40	FGEB	
C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(CC)cc1	4944642	PPQQPDKEINWLFO-AWEZNQCLSA-N	355.463	3.095	30	40	FGEB	
N#Cc1c(N2CCCC2)nn(C(=O)Cc2c(Cl)cccc2Cl)c1N	7654864	JWGZUBVKNFVGDA-UHFFFAOYSA-N	364.236	3.127	30	40	FGEB	
CCOc1ccc2oc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)c2c1	3535520	XIIKYJSNLGWNIK-HXUWFJFHSA-N	372.421	3.351	30	40	FGEB	
O=C(/C=C1\NCCc2cc3c(cc21)OCO3)c1cc(Cl)nc(Cl)c1	5421134	UHDJSQCPXSZZJA-GHXNOFRVSA-N	363.200	3.487	30	40	FGEB	
Cc1ccc2nc(COc3cccc(C(=O)NC4(C#N)CCC4)c3)cn2c1	84210096	MRRUADSALXYVBJ-UHFFFAOYSA-N	360.417	3.398	30	40	FGEB	
CCOc1cc(Cl)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC	409086588	FLPIWPCDRQSANM-GIJQJNRQSA-N	350.762	3.497	30	40	FGEB	
C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(F)cc1	224910721	JAWBYFZNTSUCOR-UHFFFAOYSA-N	351.399	3.224	30	40	FGEB	
C=CCn1c(=S)sc2c(=O)[nH]c(-c3ccc(OC)c(OC)c3)nc21	1078484	GQSWWNSADHQLGZ-UHFFFAOYSA-N	361.448	3.386	30	40	FGEB	
COC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1OC	8811843	WMTCCYQETMJHIH-KEBDBYFISA-N	362.813	3.024	30	40	FGEB	
N#Cc1nc(COc2ccccc2Cl)oc1NCCCn1ccnc1	2204568	VQQJUKHPMGBOBU-UHFFFAOYSA-N	357.801	3.477	30	40	FGEB	
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCOc2cccc(C#N)c2)C1=O	47346264	HIOCBZPTJDCMMF-IBGZPJMESA-N	369.808	3.058	30	40	FGEB	
C[C@H](C#N)CSc1ccccc1NC(=O)c1sccc1-n1cnnn1	65453453	VERXWFQYVXFEQQ-LLVKDONJSA-N	370.463	3.228	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1	6353483	KXPFVQCUWATUQF-SFHVURJKSA-N	366.845	3.095	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(F)c1	218471607	HITWJLUVHAKRPZ-FHWLQOOXSA-N	359.422	3.312	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1	218106131	FJBZOHUXLUKREY-SLFFLAALSA-N	371.458	3.100	30	40	FGEB	
COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	218391556	BKQLFPNIVKCSPT-OKZBNKHCSA-N	361.850	3.436	30	40	FGEB	
C=CCOc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1	47276434	YMEXVORAQBZRRU-UHFFFAOYSA-N	366.461	3.014	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1	225147848	AEMKERMYTJBCTJ-UHFFFAOYSA-N	359.447	3.159	30	40	FGEB	
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3[nH]ccc3c1)C2	96077093	GGNSKXUKZWXUBY-NRFANRHFSA-N	351.450	3.341	30	40	FGEB	
N#Cc1nccnc1N1CCC[C@H](COc2ncccc2C(F)(F)F)C1	1776000888	OKSQIQQRBLZPAY-LBPRGKRZSA-N	363.343	3.057	30	40	FGEB	
CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)s1	75104924	QVGCKPHYZXRMEE-UHFFFAOYSA-N	356.860	3.062	30	40	FGEB	
Cc1cccc2c(=O)n(CCCC(=O)Nc3sccc3C#N)cnc12	24692512	QOOWKGHSHMJMGT-UHFFFAOYSA-N	352.419	3.057	30	40	FGEB	
C=CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)CC	58201929	IVCYMZYBNJZVPM-CYBMUJFWSA-N	373.482	3.020	30	40	FGEB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=S)Nc1ccccc1	409095871	DTHKBFGNNKCKAK-ZHZULCJRSA-N	354.479	3.152	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1F	16742105	ZRHMJOBOMQYMOG-HNNXBMFYSA-N	361.756	3.354	30	40	FGEB	
CN(CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)cc1	8938192	XMFGNLNYGQVYPG-UHFFFAOYSA-N	358.239	3.391	30	40	FGEB	
O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(F)c(F)c(F)c1F	84335002	OLUJGTGGKSYAFJ-UHFFFAOYSA-N	354.181	3.202	30	40	FGEB	
CC1=NN(C(=O)COc2ccccc2C#N)[C@@](O)(c2ccc(Cl)cc2)C1	408563593	PFVHVIHUDXZPQU-IBGZPJMESA-N	369.808	3.044	30	40	FGEB	
C=CCNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1	225926058	GNWVVYUHVLFGAU-JTQLQIEISA-N	359.421	3.347	30	40	FGEB	
CNC(=S)N[C@@H](/N=C(\OC)c1ccc(C)cc1)C(Cl)(Cl)Cl	95531842	ABWLGLRTOITLDW-IPHDDYSGSA-N	368.717	3.178	30	40	FGEB	
C#CCCC1(CCC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)N=N1	1775988820	KSXZBWYURWSVKW-QRVBRYPASA-N	351.450	3.373	30	40	FGEB	
COc1cc(/C(O)=N/S(=O)(=O)Cc2ccccc2)cc(Cl)c1OC	48595185	ZCHWZAKZPOZOLV-UHFFFAOYSA-N	369.826	3.192	30	40	FGEB	
C=CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(C)(=O)=O	13671135	UIBROUJEVLBQRC-UHFFFAOYSA-N	372.490	3.001	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC	14006573	IORILLMFCSIQSZ-CQSZACIVSA-N	354.406	3.017	30	40	FGEB	
CC(=O)Nc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1	19596594	BFBCFNCQCNXAJI-UHFFFAOYSA-N	350.418	3.346	30	40	FGEB	
N#Cc1cccnc1N1CCN(c2cc(C3CCC3)nc(C3CC3)n2)CC1	1888870222	GCHXCYVQLSIMEC-UHFFFAOYSA-N	360.465	3.215	30	40	FGEB	
CSc1nc(C)c(C)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1	2298063527	VGFXLOIDGHXKHY-UHFFFAOYSA-N	369.494	3.377	30	40	FGEB	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C#N)cc2)n2ncnc2N1	1467325	SSISCKCTUSDZMB-IBGZPJMESA-N	371.400	3.182	30	40	FGEB	
Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3)cc2)c1	35287198	XRPXMTBISWDXIB-UHFFFAOYSA-N	371.462	3.026	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100299992	FFRJRVSCSJRNDF-NBSRDDMPSA-N	370.836	3.126	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1	12854221	RCTIZGLCFXQZLY-UHFFFAOYSA-N	369.424	3.310	30	40	FGEB	
O=S(=O)(/N=C(\O)COCCOc1ccccc1)c1ccc(Cl)cc1	48418190	QELLBOWIGSREFL-UHFFFAOYSA-N	369.826	3.081	30	40	FGEB	
CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1	18255096	YKXISAAADGBMKX-NVNXTCNLSA-N	371.374	3.270	30	40	FGEB	
C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)[C@H](C)c1ccc(-n2cncn2)cc1	8763040	BCXSVFDWHPSWLR-CVEARBPZSA-N	374.448	3.159	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)O)c1	217568830	DWQDTFUYQDRBKY-CYBMUJFWSA-N	360.435	3.022	30	40	FGEB	
COc1ccc(CCNC(=S)Nc2ccc(CC#N)cc2)cc1OC	225316216	CNMFBDCYXYNMDF-UHFFFAOYSA-N	355.463	3.299	30	40	FGEB	
NC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(N)=O)cc3)cc2)cc1	3110066	DOOPWEGZZPYGTR-BKHCZYBLSA-N	370.412	3.386	30	40	FGEB	
CCC/C(=N\OCC)C1=C(N2CCCC2)CC(C)(C)[C@H](C(=O)OC)C1=O	5614622	QDOYOCJWZWVXMD-JPOGYNCRSA-N	364.486	3.317	30	40	FGEB	
CC(C)(C)OC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c2cn[nH]c2c1	306817085	DKKUATWLUMSEFC-UHFFFAOYSA-N	359.235	3.209	30	40	FGEB	
C=CCN1C(=O)N(c2ccc(C(C)=O)cc2)S(=O)(=O)c2ccccc21	1889022033	QVJNPXUXCYHWCG-UHFFFAOYSA-N	356.403	3.211	30	40	FGEB	
NC(=O)c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(N)=O)cc1	971312	ZIYVNIQUOCLEBU-BKHCZYBLSA-N	370.412	3.386	30	40	FGEB	
Cc1cccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1	12534305	TWIUYWVQQUVBPZ-UHFFFAOYSA-N	368.868	3.281	30	40	FGEB	
COc1cc(/C=N\N2CCCCCC2)cc(I)c1O	104052537	WLMNJVKGNSNJKW-YBEGLDIGSA-N	374.222	3.215	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1	36739355	LDWCXXIDJZCZJW-FOIQADDNSA-N	353.418	3.438	30	40	FGEB	
CC(C)(C)OC(=O)NC1CCN(C(=S)Nc2ccccc2C#N)CC1	60433446	SAHOTKHTUAWTSP-UHFFFAOYSA-N	360.483	3.244	30	40	FGEB	
COC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC	6126752	RYVAOJFGMVAUCU-UHFFFAOYSA-N	374.780	3.024	30	40	FGEB	
CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(F)c(Cl)c(C#N)c1Cl	95698933	QJNXKDVLKYYMPR-YFHOEESVSA-N	359.184	3.195	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2)cc1OC	17723973	VHLHIDKZTAIKJN-SFHVURJKSA-N	353.374	3.193	30	40	FGEB	
O=S(=O)(Oc1ccc(/C=N/O)cc1Br)c1ccccc1	409066374	OKCMNXTVKMEPQT-OQLLNIDSSA-N	356.197	3.025	30	40	FGEB	
C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	408912968	IWNNTZZQQBTXOM-GZTJUZNOSA-N	366.348	3.057	30	40	FGEB	
Cc1c(N2CCC(C(=O)N3CCCCCC3)CC2)cc(C#N)cc1[N+](=O)[O-]	42110447	PZJNTUWBMKCMAQ-UHFFFAOYSA-N	370.453	3.394	30	40	FGEB	
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc(O)cc1)Nc1nonc1N2	12390242	LTQNTTATCWNBHZ-PIGZYNQJSA-N	364.361	3.348	30	40	FGEB	
C[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(C#N)cc1	40132960	XTUSETZTPGOSGX-CJNGLKHVSA-N	369.856	3.095	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N	837265	RITXGICQKPODOR-MOPGFXCFSA-N	373.372	3.381	30	40	FGEB	
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1	6235023	WOLARBLBJSTQEK-UHFFFAOYSA-N	358.463	3.328	30	40	FGEB	
Cc1cc(N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1N1CCCC1=O	10747102	CSNJNPZDQDEQSG-HNNXBMFYSA-N	362.433	3.433	30	40	FGEB	
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	14093285	GZISLGYOGQGLBF-UHFFFAOYSA-N	370.474	3.367	30	40	FGEB	
Cc1c(/C=N/c2ccc(C(N)=O)cc2)c(O)n2c(nc3ccccc32)c1C#N	5408925	IDORTNSTBODKIY-BHGWPJFGSA-N	369.384	3.223	30	40	FGEB	
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3(C#N)CCCCC3)ccc12	7129988	ZFKOUEPPVYKBCT-CQSZACIVSA-N	354.406	3.211	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1	110660339	LKBAUKFLKHDYHD-UHFFFAOYSA-N	352.434	3.336	30	40	FGEB	
C=CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1	222914882	MXZCNBSTRIACAC-MRXNPFEDSA-N	354.425	3.088	30	40	FGEB	
CCOc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1	5809110	PSWCXQCJDBVUSZ-INIZCTEOSA-N	369.446	3.333	30	40	FGEB	
COc1cc(C(=O)O/N=C(\C)C(=O)c2cccs2)cc(OC)c1OC	5517063	HNMSKEBFPZJAFJ-VCHYOVAHSA-N	363.391	3.190	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccccc2F)cc1	19138598	AUINIVPAXSZKTM-FZKQIMNGSA-N	369.392	3.093	30	40	FGEB	
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@]1(O)CC(=O)C(CO)=CC1=O	205858286	WNDYBUMSCQZGJO-BYZLFZLASA-N	360.494	3.367	30	40	FGEB	biogenic,in-vitro
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)N1CCN(C(=O)c3cccc(F)c3)CC1)C2	100773129	BTWOHIIKTHRZBZ-HTAPYJJXSA-N	370.468	3.493	30	40	FGEB	
N#Cc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cc1	81646366	NROJPDOIGUAOSA-GOSISDBHSA-N	359.429	3.315	30	40	FGEB	
N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1	218640899	VKISBDCRJLMINS-YESZJQIVSA-N	363.797	3.128	30	40	FGEB	
CCn1c(C)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21	250456705	RNYNZSGHBQAGSD-ZNTREXEXSA-N	373.456	3.357	30	40	FGEB	
C=CCN(C(=O)c1nnn(C(C)(C)C)n1)c1nc(-c2ccccc2)cs1	622769151	XSDGUIRXQYCJEO-UHFFFAOYSA-N	368.466	3.384	30	40	FGEB	
C=CCc1cc(CNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC	663876326	COFWCUIKBLXROM-CABCVRRESA-N	362.470	3.141	30	40	FGEB	
O=S(=O)(CCc1ccccc1)N/N=C\c1c(O)ccc2ccccc12	12376340	OGUOTZOPCDDBSJ-ZHZULCJRSA-N	354.431	3.041	30	40	FGEB	
Cc1cc(N(C)C)ccc1NC(=O)CCc1c(C)nn(CCC#N)c1C	40111614	SRWPVROVKOWMEB-UHFFFAOYSA-N	353.470	3.359	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2	6134504	VIGFKJYQZINLMH-OAHLLOKOSA-N	355.467	3.443	30	40	FGEB	
NC(=O)CCn1cc(/C=N/NCc2ccccc2Cl)c2ccccc21	8811542	AYZFIPSCRFMKFB-FSJBWODESA-N	354.841	3.294	30	40	FGEB	
CSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](C)CC1=O)N2	22608350	VMHGWOCXOVNUIS-VFZGTOFNSA-N	371.422	3.176	30	40	FGEB	
C#CCOC(=O)c1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O	28294177	BHXCQROWUASAGG-UHFFFAOYSA-N	355.349	3.430	30	40	FGEB	
C=CCSc1nnc(NC(=O)COc2ccc(C(=O)CC)cc2)s1	2626926	AWGDRRXQFKRGOQ-UHFFFAOYSA-N	363.464	3.426	30	40	FGEB	
Cc1nc(NCCNc2ncccc2C#N)c2c3c(sc2n1)CCC3	47272474	CRJVSTYVMFDUBA-UHFFFAOYSA-N	350.451	3.279	30	40	FGEB	
COc1ccc(N/N=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1	408725986	NSPFSOBDLITQHO-PGMHBOJBSA-N	354.362	3.078	30	40	FGEB	
CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(Cl)cc1OC	409108856	WPGZYQUMFSKYRD-GIJQJNRQSA-N	350.762	3.497	30	40	FGEB	
CC1CCN(C(=O)Cn2c(C#N)cc(N)c2Cc2cccc(Cl)c2)CC1	225858358	RKNQLIKROYRIAS-UHFFFAOYSA-N	370.884	3.445	30	40	FGEB	
CN(C)c1ccc(/C(N)=N/OCc2csc(Br)c2)cc1	83854245	MYBFKISSRYJPNG-UHFFFAOYSA-N	354.273	3.414	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	4028980	MOQTVGQHEGMMDS-XPNSXXBZSA-N	361.555	3.499	30	40	FGEB	biogenic
CN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C(=O)O)cc1	35657002	NYRTXUDPNLGELB-PPVAIKJXSA-N	354.387	3.324	30	40	FGEB	
N#Cc1cn(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12	51319126	ONATZSRUCMPKNO-UHFFFAOYSA-N	362.408	3.001	30	40	FGEB	
COc1ccc([C@@H](C(C#N)C#N)[C@@H]2C(=O)N(Cc3ccccc3)N=C2C)cc1	848851	ZGSADVBBLAYEOQ-RTWAWAEBSA-N	372.428	3.477	30	40	FGEB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSCCO)c2C#N)C1	6323270	WEGHEIVYPBFBCL-NSHDSACASA-N	352.525	3.435	30	40	FGEB	
CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1	45500077	OXLOVHUDUXKSOM-OAHLLOKOSA-N	370.474	3.326	30	40	FGEB	
COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c(OC)c1	11336971	UXWGOQDQOSSOLC-IBGZPJMESA-N	366.417	3.318	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1	10362456	FLMGPQACPYCJOR-UHFFFAOYSA-N	360.435	3.184	30	40	FGEB	
C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC([C@H](O)c2ccccc2)CC1	12809058	HDNRTOPIFDBGNE-IIBYNOLFSA-N	363.461	3.331	30	40	FGEB	
CC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1	5587610	ZIKSTYHBOMUOFO-UHFFFAOYSA-N	354.435	3.259	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1	4785484	XDSAGDRQHQKRQN-OMJMQIJPSA-N	353.469	3.372	30	40	FGEB	
CCCN1C(=S)SC(C)(C)[C@@H]1/[N+]([O-])=C/c1cccc([N+](=O)[O-])c1	4785485	XDSAGDRQHQKRQN-NWRYFCBHSA-N	353.469	3.372	30	40	FGEB	
COc1ccc(Br)cc1/C=N\Nc1ccc([N+](=O)[O-])cn1	408748834	CFSLHOWPNSGPRU-APSNUPSMSA-N	351.160	3.207	30	40	FGEB	
CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=Nc1ccccc1	409018833	ZLTVEMOKWKBIEZ-YDPVLUQWSA-N	369.446	3.350	30	40	FGEB	
COc1cc2c(cc1OC)/C(=N/Nc1nc3ccccc3s1)C(=O)N2	43906819	PLSRNNCSMHUREX-UHFFFAOYSA-N	354.391	3.082	30	40	FGEB	
C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc3ncccc3c1)C2	96229922	PTZPNQGFTBQEJM-QFIPXVFZSA-N	363.461	3.408	30	40	FGEB	
CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](O)[C@H]2CO1	252581631	GJRRBURMULHWIH-AXUMQDEVSA-N	352.858	3.253	30	40	FGEB	biogenic,in-vitro
CC1(C)CO[C@H](c2ccccc2Cl)CN1S(=O)(=O)CC1(C#N)CC1	165247558	GMOWQYJRNBHONB-HNNXBMFYSA-N	368.886	3.125	30	40	FGEB	
CN(C)/C=C(\C(=O)c1cccs1)c1nnnn1-c1ccc(Cl)cc1	5508811	FMYOISUOJGQOMU-JLHYYAGUSA-N	359.842	3.163	30	40	FGEB	
C[C@@H]1CN(c2nc3sccn3c2C#N)CCN1Cc1cc(F)cc(F)c1	2298070622	BGEDEIOXJZAFNN-GFCCVEGCSA-N	373.432	3.256	30	40	FGEB	
CC[C@@H](C)/N=C(/N)NCc1ccc(Oc2c(OC)cccc2OC)nc1	58185209	FUAMOSLTWFELTB-CYBMUJFWSA-N	358.442	3.094	30	40	FGEB	
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118915699	VSGTWMOZGFNRPM-SQQNWLPGSA-N	360.494	3.055	30	40	FGEB	in-vitro
C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1cccc(Cl)n1	174630318	BSDHWBMGIXMZCB-UHFFFAOYSA-N	374.853	3.153	30	40	FGEB	
COC(=O)[C@H](C)Oc1ccccc1/C=C1\Oc2cc(OC)ccc2C1=O	4339877	YFMAZHNQSLZXKI-XACIZNRCSA-N	354.358	3.252	30	40	FGEB	
CCc1ccc(-c2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)o2)cc1	14200982	BYGCEZYOEORXIP-GOSISDBHSA-N	358.467	3.446	30	40	FGEB	
C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(F)cc1	224917751	PHFKIGQJNCSGEP-UHFFFAOYSA-N	366.370	3.124	30	40	FGEB	
O=C1c2ccc(-c3ccc(C=Nn4cnnc4)o3)cc2C(=O)[C@@H]2C=CC=C[C@H]12	254415205	SFJMNAXVASQKLI-JKSUJKDBSA-N	370.368	3.158	30	40	FGEB	
Cc1ccc(CN2CCC[C@@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)o1	585294998	XSYCCLSETIJZRD-LJQANCHMSA-N	360.421	3.147	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)C(C)=C[C@H](C)C(=O)C=C[C@]1(C)O	958317928	BIGBTKXKWUHWLH-QEGZRPRASA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
Cc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1	19332616	AKQQYSYKXAIBQH-KBXCAEBGSA-N	352.486	3.223	30	40	FGEB	
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCN(C)CC2)n1	19820530	SNQUHFUELZWDRJ-UHFFFAOYSA-N	359.886	3.142	30	40	FGEB	
C[C@@]1(C(=O)N2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC=CCC1	1565550042	NMFSKATYJXHDRR-FGZHOGPDSA-N	363.461	3.260	30	40	FGEB	
C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccc(C)cc1	4628925	VWGVBEZKZHABEQ-ACRUOGEOSA-N	361.445	3.360	30	40	FGEB	
O=C1C(=O)N(c2ncccn2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1	102880712	SINKWRJKRSEWSA-HVESIFNPSA-N	357.369	3.103	30	40	FGEB	
COC(=O)c1ccc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	3362816	CEWKBMGDNUXSDY-UHFFFAOYSA-O	373.738	3.072	30	40	FGEB	
C=CCOc1c(Br)cc(CNCCCN(C)C)cc1OC	8373825	PSAKMJCXYAFTAA-UHFFFAOYSA-N	357.292	3.064	30	40	FGEB	
CN(Cc1ccc(Br)cc1)C(=O)CNc1cccc(C#N)c1	11253430	BPPGOAPZZAILAW-UHFFFAOYSA-N	358.239	3.391	30	40	FGEB	
COc1ccc(CCC(=O)OCCOc2ccc(C#N)cc2)cc1OC	22155825	XTJUDDYUUMCSGG-UHFFFAOYSA-N	355.390	3.130	30	40	FGEB	
CN1CCCc2cc(/C=C3\S/C(=N/c4cccnc4)NC3=O)ccc21	13721365	ZYEAICUNSIZLBX-BOPFTXTBSA-N	350.447	3.356	30	40	FGEB	
O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCOCC1	9355918	CCOLFPWLRPFRNR-UZYVYHOESA-N	355.825	3.097	30	40	FGEB	
C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)NC1(C#N)CCCCC1	7784347	AVZFBYZHDNSFQQ-CQSZACIVSA-N	370.478	3.484	30	40	FGEB	
Cc1cc(C)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1C#N	409412734	ZUBLAJOMGJUEIP-UHFFFAOYSA-N	350.205	3.282	30	40	FGEB	
CC[C@@H]1OC(=O)[C@H](C)C[C@H](C)C(=O)/C(C)=C/[C@H](C)C(=O)/C=C/[C@@]1(C)O	253390403	BIGBTKXKWUHWLH-LBGLDJBASA-N	350.455	3.012	30	40	FGEB	biogenic,in-vitro
CCc1nc(S(=O)(=O)Nc2ccc(Cl)cc2C#N)cn1CC1CC1	596040720	DNMAENSCDDPARD-UHFFFAOYSA-N	364.858	3.181	30	40	FGEB	
CSc1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)n1	12523737	YUZDZFUDBOHSLQ-SECBINFHSA-N	357.826	3.229	30	40	FGEB	
COc1ccc(-c2n[nH]c(/N=C(\O)COc3cccc(F)c3)n2)c(OC)c1	58230443	MQYZVGBAORCUHG-UHFFFAOYSA-N	372.356	3.295	30	40	FGEB	
COc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3OCC#N)S2)cc1	4704718	CKHSYKHLBKSMRL-SFQUDFHCSA-N	365.414	3.489	30	40	FGEB	
CC(C)(C)COc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1	409356389	NGHOSTRJAXIRSA-UHFFFAOYSA-N	351.406	3.409	30	40	FGEB	
Cc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	17076596	MBBIBCFEDRREBN-SJLPKXTDSA-N	374.440	3.470	30	40	FGEB	
O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1	102864163	NRYHKZBHYZKEHR-SQUHQTGPSA-N	369.442	3.349	30	40	FGEB	
C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1	3041383	BMZNSTDSNKVLHR-UHFFFAOYSA-N	370.758	3.485	30	40	FGEB	
Cc1n[nH]c(S/C(=C/c2ccc(-c3ccccc3C#N)o2)C(=O)O)n1	1235498	HAGUYRNDYGWQEC-OVCLIPMQSA-N	352.375	3.463	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)cc1	44974046	PYQFJNLGIIYPPE-INIZCTEOSA-N	365.433	3.288	30	40	FGEB	
CC[C@@H]1CN(C(=O)CON=C2c3ccccc3-c3ccccc32)CCO1	58370797	DFBAQCFQLWTINZ-OAHLLOKOSA-N	350.418	3.073	30	40	FGEB	
Cc1c(C#N)c(NC(=O)COC(=O)c2ccco2)n(C2CCCC2)c1C	12257060	YFHMTAKDAIBDKE-UHFFFAOYSA-N	355.394	3.480	30	40	FGEB	
C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc2ccccc2c1=O	3249584	HANSAVMDGHZYKF-GJZGRUSLSA-N	371.506	3.179	30	40	FGEB	
CN(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C#N	14228023	GLTWLATVFBZDMG-UHFFFAOYSA-N	359.223	3.358	30	40	FGEB	
CCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1-c1ccccc1C	7044084	JYQNYZDETCEJDI-IBGZPJMESA-N	371.510	3.420	30	40	FGEB	
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(O)cc1)n1ncnc1N2	9088653	TXFTZALHYYOIAL-QRWLVFNGSA-N	358.401	3.399	30	40	FGEB	
CC(C)Cc1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1CCC2	32105716	HQEAXRBUNXDMAW-UHFFFAOYSA-N	363.461	3.336	30	40	FGEB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/Nc1ccc([N+](=O)[O-])cn1	409091231	RVMMLUWAJWXQLU-RGVLZGJSSA-N	371.397	3.053	30	40	FGEB	
C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1	224902632	XOLAHPSYOXBAHM-UHFFFAOYSA-N	374.462	3.425	30	40	FGEB	
CN(C)c1cc(C#N)cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)c1	333805405	FFBGKISBWYFNOK-LJQANCHMSA-N	360.461	3.249	30	40	FGEB	
C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C	24717533	JNFDOAWABJMHIM-GSDQLPOLSA-N	362.422	3.375	30	40	FGEB	biogenic
COc1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@H]4N=C3C2)c(OC)c1	250384729	NSNSPKYGGGYVFT-MORSLUCNSA-N	354.450	3.390	30	40	FGEB	
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)c1ccccc1	5966645	BSDXMVJEEAQFJU-CQSZACIVSA-N	367.361	3.087	30	40	FGEB	
O=C(Nc1ccsc1C(=O)NCC#Cc1ccccc1)c1ccncc1	56328953	BKIBUIURFVWUKM-UHFFFAOYSA-N	361.426	3.177	30	40	FGEB	
COc1ccc([C@@]23O[C@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2[C@H]3O)cc1	104076782	SMSNOVVIVRBCOU-NCYKPQTJSA-N	370.401	3.278	30	40	FGEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	118934729	PSRYHQQVKMOFNA-VUOZLLHNSA-N	356.462	3.039	30	40	FGEB	
CC[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O	13150264	LJJFKVYEKJAUTC-HEWTWTGNSA-N	360.460	3.290	30	40	FGEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Br)cc1	5009256	STHWGHDOOQGDMR-UHFFFAOYSA-N	369.222	3.042	30	40	FGEB	
Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)n1	5643459	PXTPLFRYVVIVEE-ZDUSSCGKSA-N	369.446	3.268	30	40	FGEB	
Cc1ccccc1-n1c(=O)c2sccc2n(Cc2cccc(C#N)c2)c1=O	67258056	XVYRWAOKQSALSF-UHFFFAOYSA-N	373.437	3.442	30	40	FGEB	
CCC(=O)OCCNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N	7995321	BKWVRAVWACHIKS-UHFFFAOYSA-N	356.451	3.411	30	40	FGEB	
COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br	408751286	YUYWEQZUPSKPEB-APSNUPSMSA-N	351.160	3.207	30	40	FGEB	
CC1(C)OB(c2c(-c3ccccc3)nnn2Cc2ccccc2)OC1(C)C	309617097	TXOKSOOQWPTZNW-UHFFFAOYSA-N	361.254	3.293	30	40	FGEB	
CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1	218470055	XZIFXFOCGAOULE-FHWLQOOXSA-N	359.422	3.312	30	40	FGEB	
CC(=O)c1cccc(O[C@H](C)/C(O)=N/S(=O)(=O)c2cccs2)c1	63435659	SWJVLPOVUIKZIN-LLVKDONJSA-N	353.421	3.063	30	40	FGEB	
Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)s1	96072929	FIQACGQTWPIYBQ-QFBILLFUSA-N	354.479	3.169	30	40	FGEB	
C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	253617435	MLMBQGHFDXSTPD-MPCFDFRISA-N	358.478	3.129	30	40	FGEB	
CC(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1	155169206	VFPQXXAXVRQWGT-UHFFFAOYSA-N	352.413	3.178	30	40	FGEB	
Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	12418517	PEVKYUULWTUVCE-UHFFFAOYSA-N	362.389	3.077	30	40	FGEB	
C=CCN(C(=O)CCc1c(C)nc(C)[nH]c1=O)c1nc2ccccc2s1	40013064	WDOASWLBBZLTOU-UHFFFAOYSA-N	368.462	3.148	30	40	FGEB	
O=C(C1CC1)N1CCC(/C(O)=N/c2cccc(OC[C@@H]3CCCO3)c2)CC1	31264204	HSAJCJQFPFOEKY-IBGZPJMESA-N	372.465	3.481	30	40	FGEB	
COC(=O)CN(Cc1c(C#N)oc2ccccc12)c1cccc([N+](=O)[O-])c1	4160050	CXVVAXWHEXVZBP-UHFFFAOYSA-N	365.345	3.392	30	40	FGEB	
CC(=O)c1ccc(NC(=O)COc2nc(C)c3c(c2C#N)CCCC3)cc1	12324737	NWBOYNOROKPRCD-UHFFFAOYSA-N	363.417	3.361	30	40	FGEB	
CCC/C(Nc1ccccc1N)=C1/C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O	102932728	DQEPAEUFLKDCCO-FYPAKXHLSA-N	358.438	3.092	30	40	FGEB	
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1	12846812	SKONTPUWIJTTJL-UHFFFAOYSA-N	364.810	3.108	30	40	FGEB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccc[nH]1	409086332	ZCGNANLCEDZFAV-NEPCMBFISA-N	367.408	3.241	30	40	FGEB	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N/N=C/c3ccccc3)cc21	4188432	QKQWGPDOUYDQFD-UFFVCSGVSA-N	353.353	3.305	30	40	FGEB	
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(C)nn(CC)c1C	5728151	NFTAZBARYWGYEJ-IBGZPJMESA-N	357.454	3.051	30	40	FGEB	
N#Cc1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	15168077	CFHNPRDCWZNDAU-UHFFFAOYSA-N	367.762	3.347	30	40	FGEB	
C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2F)n1	33325170	HQEMZNTVOMSILZ-UHFFFAOYSA-N	353.353	3.224	30	40	FGEB	
C=CCOc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1	14397236	QHYNQSLEVKXVSH-UHFFFAOYSA-N	374.462	3.290	30	40	FGEB	
CC(C)(C)c1nnc(/N=C(\O)CN2CCC[C@H](Cn3ccnc3)C2)s1	19715451	XFXCTYKRCDDTDV-ZDUSSCGKSA-N	362.503	3.032	30	40	FGEB	
C[C@@H]1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	100973171	UIUVFACNPCTHQZ-SJHSGFPMSA-N	358.510	3.089	30	40	FGEB	
O=C1C(Cl)=C(NC[C@@H]2CCCN3CCCC[C@H]23)C(=O)c2ccccc21	104232729	YTWAVIDYSNUFKZ-XJKSGUPXSA-N	358.869	3.370	30	40	FGEB	
CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1	5451361	OHWFJPBPUZJNCQ-OAHLLOKOSA-N	352.438	3.475	30	40	FGEB	
C#CCCCN(c1ccc(Br)cc1Cl)S(C)(=O)=O	95452269	CZZSVIWWBYPPED-UHFFFAOYSA-N	350.665	3.282	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1	18195591	XUJFTPFGYIQOMN-CYBMUJFWSA-N	354.366	3.224	30	40	FGEB	
C=CCn1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc21	409367985	KZCBMWMIZVROQY-OYODPCAESA-N	371.440	3.214	30	40	FGEB	
Cc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(C#N)c3)nn2)cc1	216774732	QGPIQFYWRLCRHT-NRFANRHFSA-N	359.433	3.038	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C#N)C1	225603148	AMFVLUWXGBRYTC-XRNSAIHHSA-N	356.447	3.206	30	40	FGEB	
COc1ccccc1C1(/C(O)=N/C2CCN(c3nccn3C)CC2)CC1	328750709	MVDCNWHIRUBEHK-UHFFFAOYSA-N	354.454	3.086	30	40	FGEB	
COc1cc(/C=N/n2cn[nH]c2=S)ccc1OC(=O)c1ccccc1	6090285	ZYRMCDDUHRLPQH-VXLYETTFSA-N	354.391	3.051	30	40	FGEB	
C=CCOc1ccccc1NC(=O)c1cc2ncc(C(C)=O)c(C)n2n1	12204241	WHQWEJNWOSXHME-UHFFFAOYSA-N	350.378	3.057	30	40	FGEB	
C=CC[C@H]1CCCN(C(=O)c2ccc(I)c(O)c2)C1	597999643	VKECVWKOFLJRCG-NSHDSACASA-N	371.218	3.425	30	40	FGEB	
N#Cc1ccsc1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1	58176627	MKNQOYBUSBHUMR-AWEZNQCLSA-N	361.492	3.301	30	40	FGEB	
CCOCCOc1c(Cl)cccc1NCC(=O)N[C@@](C)(C#N)C(C)C	58184510	FDHGMLFLJIOSDL-SFHVURJKSA-N	367.877	3.222	30	40	FGEB	
O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F	48585640	GADJROFNHKJZNZ-UHFFFAOYSA-N	373.308	3.128	30	40	FGEB	
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(C#N)c1)C(C)C	3517879	PPEZPPXVEXUOEI-IBGZPJMESA-N	365.433	3.350	30	40	FGEB	
Cc1sc2ncnc(N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2c1C	6280188	WNZLWOXVWFVRLB-PTXOJBNSSA-N	371.378	3.391	30	40	FGEB	
Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@](C)(C#N)C2CC2)n[nH]1	14093419	IPKCVHIGKLYOSE-QPGLYAHGSA-N	367.478	3.184	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1Cl	14084948	PZHGVCGZBAHYIZ-UHFFFAOYSA-N	366.808	3.474	30	40	FGEB	
O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1ccccc1	4559500	ROKBRMUQODNEGY-UHFFFAOYSA-N	351.387	3.084	30	40	FGEB	
N#Cc1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1	6889435	KCEBYTCMMDVGJW-UHFFFAOYSA-N	370.792	3.356	30	40	FGEB	
Cc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccco3)c(C#N)c2=O)cc1C	409207065	ZWTHWWDEWOZULM-BQYQJAHWSA-N	361.357	3.183	30	40	FGEB	
Cn1ccnc1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1	585294473	GDDDIFUEBQYSTI-SFHVURJKSA-N	359.437	3.162	30	40	FGEB	
O=C(c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1)N1CCCCC1	19399824	HLBACZAKAFTNJW-UHFFFAOYSA-N	356.429	3.293	30	40	FGEB	
Cc1cccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)c1	19961395	YLFSYCOSNWCRHC-HOTGVXAUSA-N	371.400	3.046	30	40	FGEB	
COc1c2c(cc3c1[C@H](C#CCOc1ccccc1)N(C)CC3)OCO2	20111936	HIHLVYUVBJDFGG-KRWDZBQOSA-N	351.402	3.035	30	40	FGEB	biogenic
CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O	101662282	KUUAFCYJGIZERO-FQEVSTJZSA-N	370.453	3.168	30	40	FGEB	
C/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1ccc(O)cc1	103459402	NPJIMEPJZZVVLU-JMEOUIROSA-N	369.446	3.352	30	40	FGEB	
Cc1cccc(C)c1OCC(=O)OCC(=O)N(CCC#N)c1ccccc1	3284564	VFZQCKIYATWSFH-UHFFFAOYSA-N	366.417	3.172	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccc(C#N)cc2)c1C#N	6961394	ASBOWVZSMZLNTP-UHFFFAOYSA-N	352.419	3.011	30	40	FGEB	
CC(C)CC[C@@H]1C[C@@](C)(C(=O)C[n+]2cccc(Br)c2)OC1=O	1901547	KMBZCPJMECMRIE-DYVFJYSZSA-N	369.279	3.064	30	40	FGEB	
Cc1nc(C2CCCC2)sc1/C(O)=N/S(=O)(=O)c1cccnc1	76761167	BRSOODJSDFHHLF-UHFFFAOYSA-N	351.453	3.198	30	40	FGEB	
CCOC(=O)C(=NNc1ccc(Oc2ccccc2)cc1)C(=O)OCC	4507974	WPJJGNHDUVUSIA-UHFFFAOYSA-N	356.378	3.373	30	40	FGEB	
COc1cc(C#N)ccc1O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2	5629778	VYTSKYLOJYJZNV-KCXBLQSVSA-N	354.450	3.419	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c(Cl)c1	95944005	FIWMDNZQPNOKCE-UHFFFAOYSA-N	360.782	3.062	30	40	FGEB	
O=C(O)COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl	409083638	LFHDQLYFZAGSMO-JYRVWZFOSA-N	357.749	3.148	30	40	FGEB	
O=C(O)Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21	408931320	JXQFQURYNXCYRU-LPYMAVHISA-N	363.417	3.313	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C=O)cc1	225659495	VPNHDICAGDPECL-FGTMMUONSA-N	359.834	3.297	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)c1ccccc1Br	47341139	WVSUSBQWGIIUQZ-UHFFFAOYSA-N	362.202	3.302	30	40	FGEB	
CC(C)c1ccc2c(c1)/C(=N/Nc1cccnc1)C(=O)N2C1CSC1	223729197	ANCYDDIMPLHWSE-PYCFMQQDSA-N	352.463	3.483	30	40	FGEB	
CC(C)c1ccc(C(=O)N2CCCN(c3ncccc3C#N)CC2)c(O)c1	55740783	BYOKXVAJAFESOR-UHFFFAOYSA-N	364.449	3.135	30	40	FGEB	
COc1ccc(/C(=N/O)c2nccc3cc(OC)c(OC)cc23)cc1OC	100100293	MWEXIACDYMVJBD-QOCHGBHMSA-N	368.389	3.496	30	40	FGEB	
CCCN(CCC)c1ccc(C(C#N)=c2ccc(=C(C#N)C#N)cc2)cc1	779673	WQYYVBCKQFSYHL-UHFFFAOYSA-N	354.457	3.233	30	40	FGEB	
O=C(/C=C/c1cnc(N2CCOCC2)nc1)c1c[nH]c2cc(Cl)ccc12	63413196	MMESDFLPXBZHSF-DAFODLJHSA-N	368.824	3.344	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2	4776999	MJLMDQNKLHCSKQ-OAHLLOKOSA-N	371.422	3.320	30	40	FGEB	
COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)Cc1ccc([N+](=O)[O-])cc1	32131505	SXICYXMRGFUXOA-ONBLHPBISA-N	370.361	3.264	30	40	FGEB	
C#CCOc1cccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)c1	36740673	YATWHSZWXGUHDO-FQEVSTJZSA-N	362.473	3.135	30	40	FGEB	
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1	222999354	VVSAPZNMUJYGMO-UHFFFAOYSA-N	359.407	3.122	30	40	FGEB	
O=C1OC[C@H](COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1	169797605	WGMZYOJRAOKCHW-YFKPBYRVSA-N	364.160	3.397	30	40	FGEB	
N#CCC(=O)c1ccc(I)c(F)c1Br	98210950	AARNULBODOCCGB-UHFFFAOYSA-N	367.943	3.289	30	40	FGEB	
C[C@@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCC2	5016448	YHOPUKMDQMBUNK-SSDOTTSWSA-N	365.509	3.052	30	40	FGEB	
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccco1	5346797	GACPDWUPCMMOPZ-MRXNPFEDSA-N	373.372	3.167	30	40	FGEB	
CCCCCCCCCCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21	100839267	IQAUHVSHMRQVHY-HZPDHXFCSA-N	360.589	3.263	30	40	FGEB	
CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C#N)cc1)C(C)C	3435749	WLZIECIOLKCEPJ-IBGZPJMESA-N	365.433	3.350	30	40	FGEB	
COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N	5009261	FTLYZRVXMQNIGU-UHFFFAOYSA-N	368.824	3.250	30	40	FGEB	
C=CCn1c(SCC(=O)NCCCCC)nc2sccc2c1=O	14196470	LSBPRRWXWYXMPA-UHFFFAOYSA-N	351.497	3.043	30	40	FGEB	
N#Cc1ccc(CN2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1	84573102	FOYNURDFZGIEAF-UHFFFAOYSA-N	357.461	3.062	30	40	FGEB	
C/C(=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1c(O)cccc1O	17074557	BWVKWMCRETZYJU-UNOMPAQXSA-N	362.451	3.098	30	40	FGEB	
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OCC	408839898	BFBLXUOGOMCYIZ-LCYFTJDESA-N	351.811	3.417	30	40	FGEB	
CC[C@@H](C)Oc1ccccc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1	408602997	PNSRZFACPQRMDD-JCRYTKJOSA-N	373.432	3.076	30	40	FGEB	
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C#N)C=O)cc1	218519270	CLMHGDADCKOMCX-HSALFYBXSA-N	353.443	3.206	30	40	FGEB	
C[C@H](C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1)n1cncn1	19079821	SOHAWBQJFCKUOJ-QGZVFWFLSA-N	373.460	3.258	30	40	FGEB	
N#CC1(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)CCCC1	5216025	SGXAFZIWIVIGCZ-UHFFFAOYSA-N	366.392	3.388	30	40	FGEB	
COc1ccc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1	12391356	RXZXPVCPUBUITH-INIZCTEOSA-N	370.409	3.309	30	40	FGEB	
CCOC(=O)[C@@H](C#N)[C@@H](c1ccc2c(c1)OCO2)c1ccccc1OC	915648	VUELZPLNAANNNG-KXBFYZLASA-N	353.374	3.259	30	40	FGEB	
C[C@@H](NC(=O)CN(C)c1ccc(C#N)cn1)c1cccc(Br)c1	58166334	POGCXJBKWJCKMX-GFCCVEGCSA-N	373.254	3.029	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(O)=NC1=S	2393871	NBBBIOCUQRTYNO-RVDMUPIBSA-N	366.446	3.142	30	40	FGEB	
Cc1ccc(C)c([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1	14170306	ZIWCMNRIZPXEEY-INIZCTEOSA-N	351.450	3.290	30	40	FGEB	
Cc1ccccc1Nc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)s1	6784887	GVKRCIQDXTXMAU-KRWDZBQOSA-N	373.507	3.491	30	40	FGEB	
COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O	31261437	VFLDPWHFBUODDF-VHOZIDCHSA-N	368.385	3.370	30	40	FGEB	aggregator,biogenic
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1C(=O)O	102045225	QHCWZGOLDHXZNI-ZDUSSCGKSA-N	353.378	3.014	30	40	FGEB	
Cc1cccc(NC(=O)C2CCN(c3snc(Cl)c3C#N)CC2)n1	52449298	ZSGRWPNXQAMSCK-UHFFFAOYSA-N	361.858	3.227	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(OCc2cccc(F)c2)c(OC)c1	107596846	QDARJHSHVNNRGT-SRZZPIQSSA-N	361.442	3.231	30	40	FGEB	
C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cnccn1	5081555	BAUYKTCDGWHPCV-UHFFFAOYSA-N	354.395	3.122	30	40	FGEB	
CCO/C=N/Nc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1	5937319	MHHIEYNKGOLKHF-DJKKODMXSA-N	350.304	3.226	30	40	FGEB	
CC[C@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1OC	409355015	BEPOLWSYZGNDOS-ZDUSSCGKSA-N	367.405	3.170	30	40	FGEB	
Cc1ccc(-c2cs/c(=N\S(=O)(=O)c3cccc(C#N)c3)[nH]2)cc1	32604198	FOAMGBZPUHGWEO-UHFFFAOYSA-N	355.444	3.213	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1	45198188	NDIFMWCVRLMBMU-UHFFFAOYSA-N	351.450	3.256	30	40	FGEB	
COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Cl)c1	40284145	ICKCYMCVMRRSJG-INIZCTEOSA-N	357.797	3.345	30	40	FGEB	
CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCC2	5240938	NLUNGLQCFNBEQM-UHFFFAOYSA-N	360.460	3.154	30	40	FGEB	
CSc1ncc(C#N)c(N2CCC(COc3ccncc3C)CC2)n1	2086861304	CKWSCLSZFNTJBZ-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1	3073707	SAKKHSMGSATBOG-IBGZPJMESA-N	369.417	3.098	30	40	FGEB	
C=CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1	4967592	VZPNAHLCXMLOCU-IBGZPJMESA-N	362.433	3.203	30	40	FGEB	
CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C#N)c1)O[C@@H](C)C2	12560494	GCBHOEWFJWUEJW-LBPRGKRZSA-N	358.419	3.081	30	40	FGEB	
Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1F	9426806	RMQBJTWGGSLAQX-UHFFFAOYSA-N	352.394	3.468	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C)cc1	2503483	RJTWSYQUYGAGSB-QGZVFWFLSA-N	356.447	3.374	30	40	FGEB	
COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)cc1	408884111	XSGOWVFZGANPEK-GDNBJRDFSA-N	355.375	3.495	30	40	FGEB	
Cc1ccc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C	409409499	VROMNJVGTPCSRH-CPLUKWAASA-N	359.429	3.235	30	40	FGEB	
CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F	100206212	VYEJNEIPXFJROE-DJKKODMXSA-N	357.115	3.456	30	40	FGEB	
CCOc1ccccc1/C=N\NC(=S)N/N=C/c1ccccc1OCC	104372759	QNJARJUWDWNJMF-IWXNDQKYSA-N	370.478	3.316	30	40	FGEB	
COc1cc(C#N)ccc1OCc1nc(COc2ccc(F)cc2)no1	12812399	MBCPMNVVRJZUJX-UHFFFAOYSA-N	355.325	3.247	30	40	FGEB	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NC1(C#N)CCCCC1	3441617	LCTMFQPEWFDEKC-LLVKDONJSA-N	351.790	3.358	30	40	FGEB	
COc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1	13787175	RYDBBYYISILYGX-UHFFFAOYSA-N	351.401	3.419	30	40	FGEB	
N#CC1(NC(=O)COc2ccc(Br)cc2Cl)CCCC1	6578445	YCGHIYGNERMNMS-UHFFFAOYSA-N	357.635	3.434	30	40	FGEB	
Cc1cc(-c2nnc(S)n2/N=C/c2c(Cl)cccc2Cl)[nH]n1	5595747	YCGXUBNYZROXKV-OMCISZLKSA-N	353.238	3.454	30	40	FGEB	
Cc1nc(-c2ccccn2)sc1/C(O)=N/c1nc(-c2ccccn2)n[nH]1	58391765	SERFDWDEFAWGBS-UHFFFAOYSA-N	363.406	3.330	30	40	FGEB	
CC1=C(NN=C2C(=O)CC(C)(C)CC2=O)C(=O)[C@H](c2ccccc2)[C@H]1C	1554503602	PUMAWADKMFIYIQ-SJCJKPOMSA-N	352.434	3.167	30	40	FGEB	
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2)cc1	18269561	ZTOSEWOSJICMBF-SFHVURJKSA-N	350.374	3.134	30	40	FGEB	
C=CCn1c(Cc2csc(NC(=O)c3ccccc3O)n2)n[nH]c1=S	30688440	KKEMWJYOBGMWKE-UHFFFAOYSA-N	373.463	3.132	30	40	FGEB	
COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc1OC	20759856	PROSLZDXBVFUFW-ZDLGFXPLSA-N	355.390	3.087	30	40	FGEB	biogenic
N#Cc1cccnc1NCCNC(=O)Nc1ccccc1N1CCCCC1	58380373	MEMFKPAEVPEDGI-UHFFFAOYSA-N	364.453	3.177	30	40	FGEB	
CC(C)OC(=O)c1cc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)ccc1Cl	5381330	RJZWSYAOSSUQNP-QGMBQPNBSA-N	374.788	3.124	30	40	FGEB	
CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2	8057676	PHBBGDQRZKEDQS-IBGZPJMESA-N	372.446	3.005	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccccc1	8656175	MEROJLQVKWBPID-QSEULQJASA-N	374.443	3.127	30	40	FGEB	
Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(CN)(c2ccccc2)CC1	1263236616	QNMDFAAZNCPYDZ-UHFFFAOYSA-N	361.489	3.237	30	40	FGEB	
Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(Cl)c(C#N)c2)C3)n1	685942221	GXMDSPZSRCOJFN-KSSFIOAISA-N	356.813	3.097	30	40	FGEB	
NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2cccc3ccccc23)C1=O	5528228	QYXFUHVMKRFUIM-NKFKGCMQSA-N	373.441	3.098	30	40	FGEB	
COc1ccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1	85409107	KAKLIISZFLQTCQ-INIZCTEOSA-N	360.373	3.118	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(OC)c21	100910059	YLLOIXUGKVEFEQ-MSUUIHNZSA-N	373.415	3.055	30	40	FGEB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2ncc(C#N)c2N1	101491524	AMTSUSYJNFHTMX-SFHVURJKSA-N	356.389	3.077	30	40	FGEB	
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	9324535	BDIGGCAXJYUNRK-ODCIPOBUSA-N	369.450	3.206	30	40	FGEB	
Cc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1	8008467	MZGDPGJOHLIXET-HNNXBMFYSA-N	352.390	3.206	30	40	FGEB	
C#CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br	408813139	OGTLIVAXSZJRJB-WQLSENKSSA-N	352.209	3.127	30	40	FGEB	
COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1	72242110	QJWGNLBQEHYBDU-UYAOXDASSA-N	363.417	3.115	30	40	FGEB	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1ccccc1OCc1ccccc1	254582954	IOFDLDJFFLMOPD-IDPBPBMLSA-N	372.424	3.407	30	40	FGEB	
N#C[C@@H]1CN(C(=O)CC2CCC(F)(F)CC2)CCN1Cc1ccccc1	599501032	HPJLAPIILUQWFR-GOSISDBHSA-N	361.436	3.439	30	40	FGEB	
N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C[C@H]2CCCO2)CC3)cc1	585100048	DFRQGHSIMPPCGF-IFMALSPDSA-N	367.493	3.198	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C4CCN(C)CC4)[C@H]3C[C@@H]12	35361470	WNMJQUYXUIYGDN-VRRLNDPFSA-N	360.542	3.327	30	40	FGEB	biogenic
Cc1cccnc1NC(=O)[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1	58184681	WZEKGCABXQKSCP-CQSZACIVSA-N	356.376	3.395	30	40	FGEB	
CCOC(=O)CC(=O)CS/C(=N\C#N)Nc1cccc(C(F)(F)F)c1	5790878	SPLHVRFZJJEDPV-UHFFFAOYSA-N	373.356	3.210	30	40	FGEB	
CCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1	5923864	YDGSSZJVIJXEOX-AWEZNQCLSA-N	368.462	3.232	30	40	FGEB	
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O	408917189	OLZBTOFHFLITBP-LFIBNONCSA-N	367.382	3.403	30	40	FGEB	
Cc1ccc(N(CCC#N)C(=O)Cn2cnc3sccc3c2=O)cc1C	31641310	AXNOXZXWYFZWSU-UHFFFAOYSA-N	366.446	3.022	30	40	FGEB	
CC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)s1	46848906	IWQBOUSVUHPKEM-UHFFFAOYSA-N	353.447	3.175	30	40	FGEB	
COc1cc(C=Nn2c(S)nnc2C2CCCCC2)cc(OC)c1O	245241598	KKQPACSTVTYRPJ-UHFFFAOYSA-N	362.455	3.220	30	40	FGEB	
Cc1nc(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)cs1	89709073	ZQTUQMBNSXACPJ-ZDUSSCGKSA-N	350.241	3.138	30	40	FGEB	
Cc1cc(C(=O)N[C@@H](c2cccnc2)C2CC2)nn1-c1cccc(C#N)c1	503674837	ZVXNFVUNEIIBLU-HXUWFJFHSA-N	357.417	3.329	30	40	FGEB	
CCOC(=O)c1c(NC(=O)C[n+]2cccc(C)c2)sc2c1CC[C@H](C)C2	3377208	FOIPPMAXIIGEBC-ZDUSSCGKSA-O	373.498	3.284	30	40	FGEB	
Cc1cc(CN(c2ccccc2)S(=O)(=O)c2ccc(C#N)cc2)on1	31080217	BXYWHXFODFLBRZ-UHFFFAOYSA-N	353.403	3.250	30	40	FGEB	
CN(C)c1ccc([C@@H]2[C@H]3C=C[C@@H](C3)[C@@]2(C#N)C(=O)O)c(Br)c1	100917164	XTYSSMRBGBHTIB-NGAQBULDSA-N	361.239	3.399	30	40	FGEB	
N#Cc1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCC2	6097415	BKXKNVDVEKXXBA-UHFFFAOYSA-N	373.507	3.157	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N	18285440	MEBUZILXXZMCFY-RBUKOAKNSA-N	373.372	3.381	30	40	FGEB	
Cc1c(/C=N/NS(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1	408891689	BGZOXOHEHJVRIX-XDHOZWIPSA-N	374.853	3.147	30	40	FGEB	
O=C[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1	218222908	HMTZHBTZFZNPHU-OAGGEKHMSA-N	365.248	3.204	30	40	FGEB	
C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225032260	JLLIRMYXCJFAIX-UHFFFAOYSA-N	354.334	3.254	30	40	FGEB	
COc1ccc(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)cc1F	1775970398	AQFUJDGPTMVWSO-HNNXBMFYSA-N	369.396	3.032	30	40	FGEB	
C#CCCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C2CCCC2)C1	1775992835	WASMGRKMYVNZBI-MSOLQXFVSA-N	360.473	3.427	30	40	FGEB	
CCOc1cc(/C=C2/Cc3ccccc3C2=O)ccc1OCC(=O)N(C)C	33434429	FFKCYZOLWBSACF-BOPFTXTBSA-N	365.429	3.375	30	40	FGEB	
N#Cc1cccnc1N1C[C@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1	2086868818	OFOYANNDAXYDJS-OKILXGFUSA-N	365.437	3.275	30	40	FGEB	
N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(Br)cc1	103503478	BYSISDOYBRCLNJ-HNNXBMFYSA-N	357.207	3.088	30	40	FGEB	
O=S1(=O)CC[C@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1	3287757	DZJKWGDBBMEVJK-LANLRWRYSA-N	365.458	3.145	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1Br	6910089	QJSMYMJAZGTBFG-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
CCOc1ccc(/C=N/O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1OC	15367526	DOKBVNCIVPXQTL-SLDJAQPHSA-N	350.459	3.478	30	40	FGEB	
Cc1cc([C@@H](C#N)C(=O)c2cc(Cl)c3c(c2)OCCCO3)nc(C)n1	41562646	MGNVRFBFSHZJDF-CYBMUJFWSA-N	357.797	3.398	30	40	FGEB	
Cc1ccc(C(=O)OCC#CCSc2nnc(-c3ccncc3)o2)cc1	2194433	AGROZQBXBFCSAH-UHFFFAOYSA-N	365.414	3.393	30	40	FGEB	
C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12	2313555	GDLMDTSDBSFQCK-UHFFFAOYSA-N	353.172	3.452	30	40	FGEB	
Cc1c(CNCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc(C#N)n1C	75831158	ZYUAQBNHCDOEIZ-CALCHBBNSA-N	366.509	3.104	30	40	FGEB	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C4CCN(C)CC4)[C@H]3C[C@H]12	4028431	WNMJQUYXUIYGDN-CDVBAKLBSA-N	360.542	3.327	30	40	FGEB	biogenic
CC/N=C1/S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1CC	408929531	KQMTXGMGLRHNKI-LUOFJIKJSA-N	355.257	3.467	30	40	FGEB	
Cc1ccnc2nc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)nn12	22415426	QOEYDVBFGRNLKK-UHFFFAOYSA-N	369.384	3.328	30	40	FGEB	
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	33797821	QFSHLMQCPDQOFL-SDXDJHTJSA-N	373.321	3.127	30	40	FGEB	
CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(C[C@H](C)CC1=O)N2	19959575	ZTTGTBCAVBHXNU-MGPLVRAMSA-N	356.451	3.364	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ncccn2)cc1	6813187	SWPNMPUJSHGHMD-MRXNPFEDSA-N	361.357	3.161	30	40	FGEB	
N#Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	1932440	MWNKQWAOVUEOIO-UHFFFAOYSA-N	357.391	3.424	30	40	FGEB	
O=C1/C(=C\c2csnn2)CN(C2CCCCC2)C/C1=C\c1csnn1	58173622	QHKHAJAIDVOGGN-VOFKWTQNSA-N	373.507	3.074	30	40	FGEB	
C=CCOC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12	2341356	MOMFLQQMYAKPGJ-UHFFFAOYSA-N	360.373	3.204	30	40	FGEB	
N#Cc1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1	59842451	HGYZKYSGSNVPGU-AWEZNQCLSA-N	367.459	3.464	30	40	FGEB	
C=CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2	4436262	BVIGFKMJZYWLSY-INIZCTEOSA-N	354.435	3.284	30	40	FGEB	
Cc1cc(F)ccc1C(=O)/C=C/c1ccc(OCC(=O)O)c([N+](=O)[O-])c1	68042368	ZKIVTAYUIBEQOW-QHHAFSJGSA-N	359.309	3.402	30	40	FGEB	
C/N=C1/S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)N1C	408929680	MMZKZALFTZVIJF-CRQMPAQMSA-N	356.403	3.485	30	40	FGEB	
COc1ccc(/N=C2/S[C@H](CC(=O)O)C(=O)N2[C@H]2C=CCCC2)cc1	35185202	VRGMBMPBWONHKD-NIHJGPKUSA-N	360.435	3.210	30	40	FGEB	
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	218401601	IGBIWGLJVMEBNC-KZNAEPCWSA-N	361.850	3.090	30	40	FGEB	
Cc1nc(N2CCC[C@@H](COc3ncccn3)C2)c(C#N)c(C)c1Cl	1889109968	BOCRECJVEMGYSW-CQSZACIVSA-N	357.845	3.309	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C)cc1	13570508	UBSSDBSHIZQCEX-QGZVFWFLSA-N	355.390	3.203	30	40	FGEB	
CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-]	847106	BFQGHZWUBJHUDX-MRXNPFEDSA-N	356.309	3.223	30	40	FGEB	
COc1ccc([C@@]23O[C@@H]2Oc2cc(O[C@@H]4CCCCO4)ccc2C3=O)cc1	1667881	XFOPTVJYFVBADW-GIVPXCGWSA-N	368.385	3.428	30	40	FGEB	
Cc1c(N/N=C2\C=CC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	105502590	NSOVSTBQFHZOJB-RELWKKBWSA-N	358.401	3.053	30	40	FGEB	
C=CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1	8497392	NXKIDPUAVRZHKH-UHFFFAOYSA-N	371.389	3.308	30	40	FGEB	
COc1ccc(-c2n[nH]c(/N=C(\O)COc3ccc(F)cc3)n2)c(OC)c1	58245099	NRKNDJKHAMPJKU-UHFFFAOYSA-N	372.356	3.295	30	40	FGEB	
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccccc2)N(C)C(=O)N1C	12900868	WHMQQXPKXCEVHF-HNNXBMFYSA-N	370.430	3.096	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1nc2ccc(C)cc2s1	14136675	KAKRLNSXMIBQRG-UHFFFAOYSA-N	359.480	3.421	30	40	FGEB	
COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCCc3ccccc32)cc1	6551668	UJPLIRUQPFUPKP-PPRFWAEMSA-N	366.417	3.018	30	40	FGEB	
O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1c(F)cccc1Cl	6932192	QLBQVWAOMWOCGD-LSFURLLWSA-N	367.771	3.257	30	40	FGEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccc1F	17163393	HCQPZSJSIISBHG-QGZVFWFLSA-N	373.380	3.342	30	40	FGEB	
Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3Cl)C(=O)NC2=S)cc1	408758646	OLVMWOIENRWQCQ-NPNVKNKFSA-N	371.849	3.415	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc2cnccc12	408739827	FYXQGBMPKJLULJ-BFTVFPACSA-N	374.425	3.001	30	40	FGEB	
N#Cc1cccc(C(=O)N2C[C@H]3CCn4c(-c5ccncc5)cnc4[C@H]3C2)c1	306129533	IGJSKFBSWMVDMF-MOPGFXCFSA-N	369.428	3.076	30	40	FGEB	
C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)Cc2ccccc2O1	330253894	OXPGHAOFEKFBML-CJNGLKHVSA-N	353.447	3.008	30	40	FGEB	
Cc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	5196408	DWCKSXXDKUEJPG-SECBINFHSA-N	373.434	3.145	30	40	FGEB	
CC(C)(O)C#Cc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1	12240603	PXKZBCITQTYVRJ-UHFFFAOYSA-N	367.464	3.432	30	40	FGEB	
CC/N=C1\S[C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)N1CC	13147263	POUYHGGAOYKPBF-FWORZXNSSA-N	373.400	3.374	30	40	FGEB	
CN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(C#N)cc1	8168825	YVJKZVIRRHGMHL-UHFFFAOYSA-N	371.281	3.203	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(F)c21	100877874	NVYMYQYYBUIUFJ-VZCXRCSSSA-N	370.405	3.233	30	40	FGEB	
C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCc3cc(C)ccc32)cc1	32904905	ZBAMZRJZCKGEDN-UHFFFAOYSA-N	370.474	3.052	30	40	FGEB	
CCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CC)n2c(C)nnc2S1	4518291	GKHUNJVWDLEWAT-UHFFFAOYSA-N	360.414	3.054	30	40	FGEB	
CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C	6047000	LVVIDFSUVCWLSX-UHFFFAOYSA-N	358.375	3.086	30	40	FGEB	
CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2	4436142	OASMAXLHIQCLGU-INIZCTEOSA-N	356.451	3.421	30	40	FGEB	
Cc1csc([C@@H](C#N)C(=O)COC(=O)c2c(F)cccc2Cl)n1	7778394	LAXZETHUXKANTQ-VIFPVBQESA-N	352.774	3.277	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1	408708554	KASKVGYFACSBSU-UHFFFAOYSA-N	352.434	3.329	30	40	FGEB	
COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1OC	408932401	WSWREQVGJIAKLH-KGENOOAVSA-N	356.422	3.300	30	40	FGEB	
Cc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	408740656	HWFBSRDJEBJGKJ-IXJMWADBSA-N	371.849	3.415	30	40	FGEB	
COCCCN1COc2ccc3c(c2C1)O/C(=C/c1ccccc1)C3=O	37857734	IXLFLEIAGLRDGE-XDHOZWIPSA-N	351.402	3.491	30	40	FGEB	biogenic
O=C1c2cc(-c3ccc(C=Nn4cnnc4)o3)ccc2C(=O)[C@@H]2C=CC=C[C@H]12	254415199	SFJMNAXVASQKLI-CVEARBPZSA-N	370.368	3.158	30	40	FGEB	
Cc1cccc(C(=O)N[C@H](C(=O)OCc2ccccc2C#N)C(C)C)c1	14638532	FUGHZTDZOJTTGB-IBGZPJMESA-N	350.418	3.365	30	40	FGEB	
COc1cccc(/C(CC(O)(C(F)(F)F)C(F)(F)F)=N/N(C)C)c1	16958528	IDIWYAFOWKHUEL-SRZZPIQSSA-N	358.282	3.207	30	40	FGEB	
CCOc1ccc(Cl)cc1/C=N/N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O	169703840	OCXRSLZMMPCDEY-VQHUKCBGSA-N	358.825	3.270	30	40	FGEB	
CC(C)Oc1ccc([C@H](CC(=O)OCC#N)NC(=O)c2ccccc2)cc1	4653309	CMFGTQWOFIMEID-IBGZPJMESA-N	366.417	3.402	30	40	FGEB	
CSc1nc(C)c(C)c(OCC2CCN(c3ccnc(C#N)c3)CC2)n1	2298061413	SPZNDVWIBFKXIT-UHFFFAOYSA-N	369.494	3.377	30	40	FGEB	
N#CCN1C(=O)CN=C(c2ccc(F)cc2)c2c1sc1c2CCCC1	924549	PGEUQFUPDBDDTK-UHFFFAOYSA-N	353.422	3.474	30	40	FGEB	
CCN(CC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1	12538596	TUDLZIHWUNHMQN-UHFFFAOYSA-N	354.454	3.255	30	40	FGEB	
Cc1ccc(CSc2nnc(/N=C(\O)c3cc[n+]([O-])cc3)s2)cc1	23505423	MITNAVVOQUIYPI-UHFFFAOYSA-N	358.448	3.409	30	40	FGEB	
C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1	14018942	LYLYSJDYXOKTAH-LLVKDONJSA-N	358.785	3.409	30	40	FGEB	
CCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O	4616057	ZRWQBDNMCSPGLI-RGVLZGJSSA-N	366.425	3.138	30	40	FGEB	
Cc1ccc2c(CC(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)coc2c1	6648670	AWZFZDFFCIJRLJ-HNNXBMFYSA-N	368.414	3.468	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1cccc(Br)c1	6909840	RMNHDXNBJYYPQS-UHFFFAOYSA-N	367.272	3.266	30	40	FGEB	
O=C(O)COc1ccc(/C=N/n2c(-c3ccc(F)cc3)n[nH]c2=S)cc1	7712423	HPXDYJQJUYRCTH-DJKKODMXSA-N	372.381	3.092	30	40	FGEB	
N#Cc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1	97998213	BMFZNSISSNNXPQ-LDADJPATSA-N	357.369	3.030	30	40	FGEB	
CC(C)Oc1ccc(C(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1	90610496	YXMMTIUYHYQCOE-UHFFFAOYSA-N	367.401	3.015	30	40	FGEB	
N#Cc1ccnc(OC[C@@H]2CCCN(c3nccc(C(F)(F)F)n3)C2)c1	1776001604	BGAAVBFKGNREHG-CYBMUJFWSA-N	363.343	3.057	30	40	FGEB	
C#CCOc1cccc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)c1	2138985	MIQLMDBJRFMLOG-CPNJWEJPSA-N	360.369	3.002	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(O)c3)c2C#N)C1	5755104	KASWEVTUELKJGZ-LLVKDONJSA-N	370.430	3.246	30	40	FGEB	
CC(C)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccsc1	1565519460	UPSOTXNJABVZIP-UHFFFAOYSA-N	361.854	3.306	30	40	FGEB	
CCOC(=O)C/C(=N/Nc1ccc(Br)cc1[N+](=O)[O-])OCC	100988597	ICWKVLAPESDTDC-VBKFSLOCSA-N	374.191	3.072	30	40	FGEB	
N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1	3232878	IOXOWKHHUSALKI-UHFFFAOYSA-N	364.279	3.252	30	40	FGEB	
COc1cc(C#N)ccc1O[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C	12819178	BOOAANKOAYSSGW-CQSZACIVSA-N	367.405	3.299	30	40	FGEB	
N#Cc1ccccc1OCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2	5559341	RGDNCNGXVFNFDQ-UHFFFAOYSA-N	353.418	3.266	30	40	FGEB	
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)O)cc1	19904146	NWYDLVZJGTYDRJ-SFHVURJKSA-N	365.385	3.048	30	40	FGEB	
CC(C)(C#N)S(=O)(=O)c1cc(Br)cc(OC(F)(F)F)c1	2298086658	QFJZJDUQQWRWGE-UHFFFAOYSA-N	372.162	3.424	30	40	FGEB	
CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N\Cc1cccnc1	102846539	QTSHMORMDHNBOJ-BKUYFWCQSA-N	365.393	3.040	30	40	FGEB	
C=CCc1cccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12	836086	VYCDXUSRVJOLSF-UHFFFAOYSA-N	363.369	3.180	30	40	FGEB	
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCC2)nc1	23995361	SEVRRTZTTJONAI-UHFFFAOYSA-N	361.405	3.498	30	40	FGEB	
CC1=NN(c2ccccc2)C(=O)/C1=N/c1c(C)nn(-c2ccccc2)c1O	100987646	RZCYPMHRXRUHCF-DYTRJAOYSA-N	359.389	3.382	30	40	FGEB	
CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)Cc1ccccc1)=C2	48597490	QYEODJPICSAFFP-UHFFFAOYSA-N	373.430	3.348	30	40	FGEB	
N#Cc1ccc(OCC(=O)NCc2ccccc2OC(F)(F)F)cc1	9653656	XNRXGSRUDDEBOI-UHFFFAOYSA-N	350.296	3.152	30	40	FGEB	
CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\c1cccc(C(F)(F)F)c1	18191466	SZVLJZXLKTXGTQ-YCZKWLMNSA-N	358.341	3.345	30	40	FGEB	
NC(=O)Cn1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c2ccccc21	409384985	GZAHDOWOZFDJHQ-ODCIPOBUSA-N	355.781	3.229	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1	218391331	BKQLFPNIVKCSPT-SQNIBIBYSA-N	361.850	3.436	30	40	FGEB	
C=CCOc1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	225014827	ZTHDFCLDAUEJGI-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1	224855155	ZKYVPVUKVXWDPF-UHFFFAOYSA-N	363.435	3.094	30	40	FGEB	
N#C[C@]1(C=O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	242688195	VKISBDCRJLMINS-BBWFWOEESA-N	363.797	3.128	30	40	FGEB	
S=C(N/N=C/c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2	5030425	PJYGFKSNBLSRAC-KEBDBYFISA-N	357.479	3.182	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4cccc(Cl)c4)cnc3c2c1	2273164	GUALBGYVPGZNMW-ZVBGSRNCSA-N	352.781	3.422	30	40	FGEB	
CCOc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)O)c(OC)c1	13350514	OOFLVXSOEKEFKD-CSKARUKUSA-N	356.374	3.453	30	40	FGEB	
N#Cc1nccnc1N1CCC(c2ccc3cc(Cl)cnc3n2)CC1	1888944416	DNYLIRZRLWHOFT-UHFFFAOYSA-N	350.813	3.329	30	40	FGEB	
Cc1nn(C)c2ncc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc12	32908482	FTVCKPFRZZSTSD-UHFFFAOYSA-N	367.412	3.324	30	40	FGEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(Cl)cc1	102927083	YOOFITLLVYVWRW-DPEHCCBOSA-N	361.781	3.001	30	40	FGEB	
C=CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccccc2)ccc1=O	55277575	OPLCGTQCTRKBOU-UHFFFAOYSA-N	359.429	3.125	30	40	FGEB	
COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c[nH]1	29872648	UYKFJMXUAIBWHW-UHFFFAOYSA-N	352.375	3.049	30	40	FGEB	
Cc1c(/N=C2/C=C(O)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	111899336	UDKLSGVBTGOTJD-XLNRJJMWSA-N	359.385	3.243	30	40	FGEB	
C=CCSc1ccccc1NC(=O)Cn1cnc2ccsc2c1=O	12885745	SVPGXQWGJZCHNX-UHFFFAOYSA-N	357.460	3.375	30	40	FGEB	
CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1C	5398763	DJACFOPFEWEAPH-KRWDZBQOSA-N	368.477	3.367	30	40	FGEB	
COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O	5342428	VJUJJIHHTUPUFZ-YVLHZVERSA-N	354.358	3.172	30	40	FGEB	biogenic
COc1cccc(-c2n[nH]c(=S)n2/N=C/c2ccc([N+](=O)[O-])cc2)c1	5704042	DQEIXDNKGDDWGW-LICLKQGHSA-N	355.379	3.407	30	40	FGEB	
CCOC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218045327	RTRAGWLEUVIDQT-AABGKKOBSA-N	355.459	3.481	30	40	FGEB	
CCCCc1nnc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)s1	48249830	YHOMEJJBNAEVBC-UHFFFAOYSA-N	370.482	3.002	30	40	FGEB	
COc1ccc(/C=N/n2cnnc2SCc2ccccc2)c(OC)c1	940344	CRUWWXYSYDSWIO-RGVLZGJSSA-N	354.435	3.470	30	40	FGEB	
C/C(=N\Nc1nnc(C(C)(C)C)c(=O)[nH]1)c1ccc(Br)cc1	12377877	DBJSHURHAXSTIE-GIJQJNRQSA-N	364.247	3.061	30	40	FGEB	
COc1ccccc1[C@H](C(C#N)C#N)[C@H]1C(=O)N(c2ccccc2)N=C1C	100700263	ZSFIALJLOUQNOZ-PMACEKPBSA-N	358.401	3.481	30	40	FGEB	
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cncn2)cc1	23881801	OYHVAKBLRRCAQY-UHFFFAOYSA-N	365.396	3.314	30	40	FGEB	
C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@]3(C#N)C[C@H]1CC[C@]23C	2666410	IBOQWGXLOPOUKM-IUHNQTRMSA-N	370.365	3.047	30	40	FGEB	
CCOc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	2064540	YEGGHZNCPWFDRF-YBFXNURJSA-N	372.333	3.110	30	40	FGEB	
CC/N=C1\S/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)N1CC	103039467	UROXZAWQESKTCA-IBZGOXDYSA-N	350.440	3.025	30	40	FGEB	
Cc1ccc([N+](=O)[O-])cc1N/N=C1/CCS(=O)(=O)c2ccc(F)cc21	60815405	WHPBFFLJYLMQBE-JXAWBTAJSA-N	363.370	3.036	30	40	FGEB	
Fc1cccc(F)c1/C=N/NC(=S)N/N=C/c1c(F)cccc1F	3298969	GGUDOHLXJSFHQA-BPYXDGQXSA-N	354.332	3.075	30	40	FGEB	
CC[C@H](C)Oc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409406178	QCDPIXJYGQRBBY-GTZSGAPKSA-N	368.433	3.014	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	4749839	AGDXLGFRMIMPFQ-KEBDBYFISA-N	357.458	3.220	30	40	FGEB	
N#Cc1ccccc1CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O	409154786	PABJHJAEHGIAQD-NXVVXOECSA-N	361.382	3.117	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1	218388742	CKXJBNJNUOWCRQ-FGTMMUONSA-N	361.850	3.436	30	40	FGEB	
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1	218401458	IGBIWGLJVMEBNC-FGTMMUONSA-N	361.850	3.090	30	40	FGEB	
C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC	223192709	SIRCRQAKKXYMIA-FQEVSTJZSA-N	368.452	3.478	30	40	FGEB	
CC[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O	4538160	NHQFTRXRQNYBRY-IUDBQGPFSA-N	366.489	3.351	30	40	FGEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21CCC(=O)O1	1857777807	RJTDWMKVQUPGSY-YQDJYLBVSA-N	356.462	3.341	30	40	FGEB	
COc1ccc(CN(C=O)/C=C2/Sc3ccccc3C2=O)cc1OC	102418063	BZCKMEVDISHKAU-WOJGMQOQSA-N	355.415	3.492	30	40	FGEB	
COc1cccc([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2nccn2C)c1	21901648	SKRFUYOVWJFXRF-SFHVURJKSA-N	363.377	3.410	30	40	FGEB	
CN1CCCC[C@@H]1CN1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	78990440	IKCKFIZNEZOMNR-QGZVFWFLSA-N	366.431	3.183	30	40	FGEB	
CC(=O)N1CCC(C(=O)OCC#Cc2ccc(Cl)cc2Cl)CC1	96013339	UKBMMCOXDTZOFH-UHFFFAOYSA-N	354.233	3.147	30	40	FGEB	
C=CCn1ncc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(OC)cc2)C3)c1C	100765341	RLRKAIZPOGNLLY-WOJBJXKFSA-N	367.493	3.401	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C)cc1	2503482	RJTWSYQUYGAGSB-KRWDZBQOSA-N	356.447	3.374	30	40	FGEB	
CC1=CC(=O)/C(=C(/C)Nc2cc(C)nn2Cc2ccc(C)cc2)C(=O)O1	101406649	NNYZSNSBWMDWII-XDJHFCHBSA-N	351.406	3.264	30	40	FGEB	
COC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N	3268674	RRTLQLMETYGRNS-SNVBAGLBSA-N	363.870	3.010	30	40	FGEB	
CC1=CC(=O)C(Br)=C(C)/C1=N/S(=O)(=O)c1ccccc1	101028342	TZQPVRPFCKADMN-JQIJEIRASA-N	354.225	3.014	30	40	FGEB	
CC(C)(C)c1nc(C#N)c(S(=O)(=O)c2ccc(Br)cc2)o1	27332946	NRVQKAMNJQUKMZ-UHFFFAOYSA-N	369.240	3.439	30	40	FGEB	
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/NCc2ccc(Cl)cc2)c1	10118967	NEWWPSIHTNEZGN-FYJGNVAPSA-N	374.828	3.209	30	40	FGEB	
CC(=O)/C(=N\Nc1ccccc1C)Sc1nnnn1-c1ccc(C)cc1	13800298	QKHCETKJDPCUJZ-LVZFUZTISA-N	366.450	3.386	30	40	FGEB	
COC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccc(OC)cc2)C1=O	5243236	NTVKQDGQCFUEKB-DVSFIDLUSA-N	370.430	3.394	30	40	FGEB	
Cc1cccc(NC(=O)N/C(=N/O)c2ccc(NC(=O)C3CC3)cc2)c1	6585205	PMVAXTABONBXPT-UHFFFAOYSA-N	352.394	3.301	30	40	FGEB	
C=CCN(CC=C)C(=O)/C(=C\c1ccccc1OC)n1ccccc1=O	4690467	QQDWTKNFVDCBKL-FBMGVBCBSA-N	350.418	3.056	30	40	FGEB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1	6647808	MTKYAHZUEVYQKY-GFCCVEGCSA-N	367.796	3.198	30	40	FGEB	
Cc1ccc(/C=N/Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(C)c1	6784349	HOHXEOHEEMPOEY-FYJGNVAPSA-N	372.494	3.319	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(O)c1	409306145	OYZUWJKHVAMKMO-UHFFFAOYSA-N	358.195	3.055	30	40	FGEB	
C#CCN(C)Cc1nc(C2(O)CCN(CC3CCCCC3)CC2)cs1	225469485	CMKGRSDUHZRIEH-UHFFFAOYSA-N	361.555	3.072	30	40	FGEB	biogenic,in-vitro
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1	223716959	RQSDLIMOXJXGRT-UHFFFAOYSA-N	361.463	3.471	30	40	FGEB	
COC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1	252515264	ICBYPOBNMXLKFT-GUDVDZBRSA-N	359.422	3.230	30	40	FGEB	
Cn1nc(C(F)(F)F)cc1NC(=O)N1CCc2c(CC#N)cccc2C1	599804960	ZUMPIYLDDZEGRM-UHFFFAOYSA-N	363.343	3.095	30	40	FGEB	
C=CCc1c(C)nc(Nc2nc(C)c3cc(OCC)ccc3n2)[nH]c1=O	9288038	RKHRJOLBHMPAGC-UHFFFAOYSA-N	351.410	3.201	30	40	FGEB	
CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccccc2C#N)=N1	101185459	WMGWDWVWZJACGL-SFHVURJKSA-N	362.458	3.251	30	40	FGEB	
COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(Br)c1O	935979	ZYELLOHWTGRJCQ-MKMNVTDBSA-N	363.163	3.485	30	40	FGEB	
Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)cc1	4828111	XEYLJULMQAQATK-AWEZNQCLSA-N	350.374	3.275	30	40	FGEB	
C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1ccccc1	4965231	DNXGGYXZDNLNON-INIZCTEOSA-N	372.494	3.212	30	40	FGEB	
CC(C)(C)OC(=O)NCC1CCN(C(=O)NCc2cccc(C#N)c2)CC1	58266374	HVZQVOZYDHILLH-UHFFFAOYSA-N	372.469	3.005	30	40	FGEB	
Cc1cc(N[C@H](C)C(=O)Nc2ccc(C#N)cc2)ccc1N1CCCC1=O	10747108	CSNJNPZDQDEQSG-OAHLLOKOSA-N	362.433	3.433	30	40	FGEB	
COCC(=O)N1CCCCC[C@@H]1C1CCN(c2cccc(F)c2C#N)CC1	69737452	QHHXLAJBZKIGQK-LJQANCHMSA-N	373.472	3.331	30	40	FGEB	
C=CCc1cc(C(=O)N2CCOc3ncc(C)cc32)cc(OC)c1OC	95445575	NADCBOGZQMJORF-UHFFFAOYSA-N	354.406	3.175	30	40	FGEB	
N#Cc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1	85651542	GJPNRXLOJBUCJP-UHFFFAOYSA-N	362.429	3.128	30	40	FGEB	
CC1C2=C(CC(C)(C)CC2=O)N(n2cnnc2)C2=C1C(=O)CC(C)(C)C2	5416689	BSATXKILGCTONA-UHFFFAOYSA-N	354.454	3.152	30	40	FGEB	
COC(=O)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1	5486733	IGANTXAGTKOETN-RGVLZGJSSA-N	352.419	3.239	30	40	FGEB	
Cc1ccc(S(=O)(=O)N/N=C/c2cccc(Br)c2)cc1	2755926	ZXUZXCODFXAQCM-MHWRWJLKSA-N	353.241	3.070	30	40	FGEB	
Cc1cccc(NC(=S)N/N=C/c2ccc(N(C)CCO)cc2)c1C	6547399	YMLZBHRATDJHIZ-DEDYPNTBSA-N	356.495	3.052	30	40	FGEB	
CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)C(=O)N1CC	7883612	FXKHUBQDEBXPJX-DOXHGZAWSA-N	353.875	3.317	30	40	FGEB	
C=CCOc1ccc(CN(C)C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1	36739356	LDWCXXIDJZCZJW-MGPUTAFESA-N	353.418	3.438	30	40	FGEB	
CN(CCOc1ccccc1Cl)CC(=O)N(C)C1(C#N)CCCCC1	12814821	CAXUHDRLHVGZIU-UHFFFAOYSA-N	363.889	3.335	30	40	FGEB	
C=CCNC(=O)CSc1nnc([C@H](CC)N(C)C)n1C1CCCCC1	3447932	PACZNSRERWVTMU-HNNXBMFYSA-N	365.547	3.190	30	40	FGEB	
COc1ccc2[nH]cc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)c2c1	5560977	XVICTRRHWSYYFR-UFFVCSGVSA-N	357.377	3.442	30	40	FGEB	
CC(=O)Nc1ccc(S[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1	73867072	PZWUBOCFBCIFAV-SFHVURJKSA-N	351.431	3.414	30	40	FGEB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cc2ccccc2o1	8849567	XDPTVKFUYHOFMC-AWEZNQCLSA-N	363.417	3.420	30	40	FGEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(F)c1	409299118	QWPYWNYQQOJDNF-UHFFFAOYSA-N	360.186	3.489	30	40	FGEB	
CCOC(=O)C/C(=N\Nc1cc(Br)ccc1[N+](=O)[O-])OCC	16681939	LPUKZDFFWIKRCE-FOWTUZBSSA-N	374.191	3.072	30	40	FGEB	
C=CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1	15818926	LMGSSPPAHIXLJB-UHFFFAOYSA-N	362.476	3.125	30	40	FGEB	
CCC(CC)NC(=O)CO/N=C(\C)c1nc2ccccc2n1C(F)F	22200682	BUMOCRSVIUZYIV-SSDVNMTOSA-N	352.385	3.477	30	40	FGEB	
CN(C)CCC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)CCN(C)C	1579205	KXZMDXAEIMQHEF-UHFFFAOYSA-N	371.308	3.418	30	40	FGEB	
C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	97922802	BTXLHCQLUCSQPL-KDOFPFPSSA-N	368.437	3.078	30	40	FGEB	
C[C@@H]1S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O	100975040	SDVPVSFRDKOVCI-ZFHSLQLHSA-N	352.481	3.028	30	40	FGEB	
Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1C[C@H]1CCCO1	3542553	RLYRRDBIKXVLMU-GOSISDBHSA-N	366.417	3.195	30	40	FGEB	
C=CCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1	408707727	CZNWZNREJNTCRC-UHFFFAOYSA-N	368.433	3.294	30	40	FGEB	
Cn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccccc1F	4947209	OXSQYYCZLXBRJK-UHFFFAOYSA-N	373.457	3.056	30	40	FGEB	
C=CCOc1c(Br)cc(C=O)cc1I	408854093	XJNIYAXRLWCDRJ-UHFFFAOYSA-N	366.980	3.431	30	40	FGEB	
C#CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC	408930802	CGCBNQOLNMJKAS-CJLVFECKSA-N	350.418	3.294	30	40	FGEB	
COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCC#N	409031439	GSOLQDPTFDDGQH-QPJQQBGISA-N	373.228	3.311	30	40	FGEB	
CCn1c(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc2ccccc21	35291827	HPWVRHUPZPEZKV-UHFFFAOYSA-N	374.448	3.282	30	40	FGEB	
O=c1c2ccccc2nc2c3ccccc3c(N/N=C\c3cccnc3)nn12	33717232	XSDKORBXSMWQEV-QRVIBDJDSA-N	366.384	3.237	30	40	FGEB	
C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224750138	BPYSXGAPTFIVJS-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
CS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Br)cc1	96532089	UGPJGMDAKACDAR-UHFFFAOYSA-N	357.254	3.035	30	40	FGEB	
CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC	271778442	XDOTVMNBCQVZKG-UHFFFAOYSA-N	354.479	3.079	30	40	FGEB	
COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc([N+](=O)[O-])c(C)c1)NCC2	5245672	FBQHBJMNMQIFQG-WJDWOHSUSA-N	368.389	3.290	30	40	FGEB	
C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(N2CCOCC2)c(F)c1	13350093	IVTXPPMMMNLFHZ-FYJGNVAPSA-N	357.385	3.197	30	40	FGEB	
COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	17255287	VFLDPWHFBUODDF-KYPMKJFLSA-N	368.385	3.370	30	40	FGEB	aggregator
CCOc1ccc(N(CCC#N)C(=O)CN2CCc3ccccc3C2)cc1	36391103	FVRXZMQKNPSVNA-UHFFFAOYSA-N	363.461	3.390	30	40	FGEB	
COc1ccc(-c2nnc3n2N/C(=N\c2cccc(OC)c2)CS3)cc1	27788860	DSLSJTSLCBDWNU-UHFFFAOYSA-N	367.434	3.342	30	40	FGEB	
N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1	3339452	RALSSEUHMHILER-UHFFFAOYSA-N	371.396	3.342	30	40	FGEB	
N#Cc1c(/C=C\c2ccc(F)cc2)c(C(=O)O)nn(-c2ccccc2)c1=O	409197449	FQDQAYHWSJUDLK-FLIBITNWSA-N	361.332	3.112	30	40	FGEB	
CN1N=C(c2ccc(Cl)cc2)/C(=N\Nc2ccc(C(=O)O)cc2)C1=N	3767626	OODUDWNVNJDMQU-UIWOSKIUSA-N	355.785	3.133	30	40	FGEB	
C[C@H]1CCCC[C@@H]1/N=C(/S)Nc1cccc(S(=O)(=O)N(C)C)c1	13637281	HEAXFPQRAUFHAP-WFASDCNBSA-N	355.529	3.213	30	40	FGEB	
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)CC(=O)N2	4944265	PHCWLCHVRSFMGP-QMMMGPOBSA-N	365.817	3.315	30	40	FGEB	
CSc1nnc(CCCNC(=O)c2cccc(C#N)c2)n1C1CCCC1	7071967	FOHDYBJYGPIHOG-UHFFFAOYSA-N	369.494	3.349	30	40	FGEB	
COc1cc(NS(=O)(=O)c2ccccc2C#N)c(OC)cc1Cl	16100438	MXHSTICVPANYAF-UHFFFAOYSA-N	352.799	3.030	30	40	FGEB	
COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCCCCC1	8338773	NNXNJJPFRXITMU-UHFFFAOYSA-N	360.502	3.218	30	40	FGEB	
C/N=C(/N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cccs1	71843649	GVLWCWJRMUVDTC-CYBMUJFWSA-N	357.479	3.133	30	40	FGEB	
O=C1CSC(=N/N=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)N1	408973219	KNUURICYZUHIBG-OMCISZLKSA-N	364.770	3.061	30	40	FGEB	
CCOC(=O)c1nnn(/N=C\c2ccc(F)cc2)c1OCc1ccccc1	33338113	LTHSPTZJKOGASD-MTJSOVHGSA-N	368.368	3.055	30	40	FGEB	
C/C=C\[C@H]1C=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1\C(=O)[C@H](CO)N(C)C1=O	299888617	QNQBPPQLRODXET-PZNXYFFKSA-N	373.493	3.021	30	40	FGEB	
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]2(O)CC(=O)ON=O	1569985908	LUDJHMWFRJTWHL-YDMYOYKNSA-N	361.438	3.474	30	40	FGEB	
C#CCn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21	9263515	LMDYVNJMNUUCHS-XDHOZWIPSA-N	355.422	3.045	30	40	FGEB	
N#Cc1cc(NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1Cl	12877122	FMWKITOGOXCEPF-UHFFFAOYSA-N	368.824	3.154	30	40	FGEB	
COc1ccc2c(c1)CCC[C@@H]2C/C(O)=N/S(=O)(=O)c1cccnc1	66504088	MKTCVOAWNQEKBX-CQSZACIVSA-N	360.435	3.246	30	40	FGEB	
COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(Cl)c1O	96792632	PRUWOWNVMZMGRR-WDZFZDKYSA-N	364.806	3.108	30	40	FGEB	
CCOC(=O)c1c(N)c2c(-c3ccccc3)c(C#N)c(OCC)nc2n1C	8706710	DFDULLIGEGYJED-UHFFFAOYSA-N	364.405	3.270	30	40	FGEB	
COc1ccccc1CN/N=C/c1cccc(I)c1	20761931	UPEWZQJCIRCPAF-LICLKQGHSA-N	366.202	3.424	30	40	FGEB	
N#Cc1ccccc1Cn1cc([C@@H]2NC[C@@H](C(=O)O)S2)c2ccccc21	408979511	RFLYFXKQCVNJQT-RBUKOAKNSA-N	363.442	3.349	30	40	FGEB	
C=CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br	227153159	LHKMNVAQYGMUNF-UHFFFAOYSA-N	364.243	3.094	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1	19848775	SSSRRPSNEAAEKL-DEDYPNTBSA-N	358.829	3.400	30	40	FGEB	
O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Br)cc21	894945	UTPAHIYYZUPGHZ-JHTBKMLMSA-N	372.218	3.261	30	40	FGEB	
COCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O	12442516	INILWMWHNYRJPX-ZDLGFXPLSA-N	355.365	3.240	30	40	FGEB	
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1	7586977	UWLITEHNSLANLW-JXMROGBWSA-N	350.418	3.378	30	40	FGEB	
C[C@@H](c1nc(C2CC2)no1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	58191509	KGPNMQCOJRPZCH-ZDUSSCGKSA-N	365.437	3.230	30	40	FGEB	
CCCCOc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1	44843293	ZVWSCVPOSLAKOR-OUKQBFOZSA-N	374.462	3.321	30	40	FGEB	
CCCCCCCCCCCCN1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	100839268	IQAUHVSHMRQVHY-CVEARBPZSA-N	360.589	3.263	30	40	FGEB	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CC(=O)O	253524959	MLMBQGHFDXSTPD-DNNXKHSDSA-N	358.478	3.129	30	40	FGEB	
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCNC2=O	596970742	GFZGYVMZXOTDQO-PMACEKPBSA-N	374.444	3.276	30	40	FGEB	
Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(Br)s1	6062866	HRMQHUGYYPXLRI-VIZOYTHASA-N	366.269	3.335	30	40	FGEB	
CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2O)cc1	5718705	DEPMOHKPLVEUJH-YOPNLDQXSA-N	369.446	3.256	30	40	FGEB	
N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CCC2CCCC2)CC1	12540047	ZWCAEHSJSBUCTO-UHFFFAOYSA-N	356.426	3.085	30	40	FGEB	
CCOC(=O)c1ccc(/N=C(/CCN2CCOCC2)NC(C)(C)C)cc1	17123071	QXIFLQCJLCNKLL-UHFFFAOYSA-N	361.486	3.004	30	40	FGEB	
N#Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1	59488749	XYSDOYRXXRLSNK-UHFFFAOYSA-N	356.813	3.442	30	40	FGEB	
CCOc1ccc(CN2C(=O)/C(=N\O)c3cc(Cl)ccc32)cc1OC	101101999	LYSVDZSBVZGSCZ-JZJYNLBNSA-N	360.797	3.472	30	40	FGEB	
N#Cc1ccccc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3	3529343	QJZHRIXMQJCYTJ-UHFFFAOYSA-N	373.412	3.352	30	40	FGEB	
C=CCc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(OC)c1O	409243048	UWGGEAOXZMUMMT-RVDMUPIBSA-N	363.435	3.202	30	40	FGEB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2ccc(Cl)cc2)C1=O	408535348	NSCMJMYLGKHWBI-CQSZACIVSA-N	355.781	3.250	30	40	FGEB	
C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ncc(C#N)cc2Cl)C1	574852622	OYWKYCOARKCMSA-OAHLLOKOSA-N	368.868	3.201	30	40	FGEB	
CC1(C)OB(c2cnn(Cc3cccc(OC(F)(F)F)c3)c2)OC1(C)C	585672404	OPCHNRUZOKAKSU-UHFFFAOYSA-N	368.164	3.129	30	40	FGEB	
CC(C)CCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	13040492	OWRCAQBTWGFDGU-UHFFFAOYSA-N	365.499	3.312	30	40	FGEB	
O=C(O)CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O	113610678	GQPOUNHESBKBLR-UHFFFAOYSA-N	355.431	3.359	30	40	FGEB	
COC(=O)c1ccc(/C=N/O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1	32957780	UXXNTGHJCDJYEA-RJSXDPMQSA-N	366.417	3.190	30	40	FGEB	
Cc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1	12590256	BFLOFMNXVFDFFS-GFCCVEGCSA-N	355.467	3.150	30	40	FGEB	
C=C(CC)C[C@H]1C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O	1647555	DDETXFVRKGDIDT-QKKBWIMNSA-N	352.434	3.297	30	40	FGEB	
Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccn3)ncn2)n1	4952809	RIEVHYMFPBVVKH-ZMOGYAJESA-N	355.405	3.479	30	40	FGEB	
C=CCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	4060844	MKNCKLWZGZUOFO-UHFFFAOYSA-N	357.250	3.485	30	40	FGEB	
Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/c1cccc2ccccc12	6786178	YXLXPIPZSUWGQE-RGVLZGJSSA-N	360.446	3.481	30	40	FGEB	
Cc1c(C#N)c(NC(=O)CN2CCC(C)CC2)n(Cc2ccco2)c1C	7448837	VHWYFDHRJKDGSI-UHFFFAOYSA-N	354.454	3.288	30	40	FGEB	
C=CCN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)c1ccccc1	67197240	KNRFSUXRKDMZIM-UHFFFAOYSA-N	356.809	3.285	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C=O)cc1	225659748	GLBVMFYOFSNHPH-OKZBNKHCSA-N	359.834	3.297	30	40	FGEB	
CC(=O)/C(=C/NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C	17222338	OOAWRECCBIWELN-VBKFSLOCSA-N	353.447	3.393	30	40	FGEB	
C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(C(=O)OC)=C1C	6348198	OSBURAGQPBEYFV-LCYFTJDESA-N	362.769	3.107	30	40	FGEB	
CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)c(OC(C)(C)C)n1	725343277	QJTIMGSTGMSZKG-UHFFFAOYSA-N	350.268	3.130	30	40	FGEB	
CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	3292753	AJUWRWFCCWYOHF-YBFXNURJSA-N	355.492	3.419	30	40	FGEB	
Cc1cccc(C)c1OCCN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1	40139313	CPKZRSBJKOSPSD-UHFFFAOYSA-N	370.474	3.407	30	40	FGEB	
CC1(C)[C@H]2CC[C@@]1(C(=O)NC1CCCCCC1)c1nc(C#N)c(C#N)nc12	100931941	WFBKWPMTSJTYDR-QKKBWIMNSA-N	363.465	3.214	30	40	FGEB	
O=C1C(=O)N(c2nncs2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1	102797723	GIPQQEWKPXFLPQ-REQDGWNSSA-N	369.427	3.226	30	40	FGEB	
Cc1ccsc1/C=N/NS(=O)(=O)c1ccc(Br)cc1	695613	QZEGWRLRHZZZFE-RIYZIHGNSA-N	359.270	3.131	30	40	FGEB	
C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OC)c1	3073706	SAKKHSMGSATBOG-LJQANCHMSA-N	369.417	3.098	30	40	FGEB	
C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccccc1C#N	24983930	VBIMUJQONQLNQO-ZDUSSCGKSA-N	360.373	3.132	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCO)cc1	9331567	JGDJPSWHMCYWFE-QGZVFWFLSA-N	371.820	3.219	30	40	FGEB	
COc1ccc2occ([C@H]3CC(=O)OC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1	524729334	OSEKQKHYQJBQGU-GFCCVEGCSA-N	368.385	3.475	30	40	FGEB	biogenic
CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1	619849339	OGCKVUPJBXCQIU-UHFFFAOYSA-N	352.486	3.003	30	40	FGEB	
C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	13547350	LQACTBNZQONZQZ-LCYFTJDESA-N	351.449	3.100	30	40	FGEB	
Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(N(C)CCO)cc1	6288307	HYHCNQUJCRYJSS-DEDYPNTBSA-N	356.495	3.052	30	40	FGEB	
COc1cc(/C=N/c2sc3c(c2C#N)CCC3)ccc1OCC(=O)O	714197	XBGCOKHJNUDFNA-AWQFTUOYSA-N	356.403	3.331	30	40	FGEB	
O=C(C1CC1)N1CCC(/C(O)=N/c2cccc(OC[C@H]3CCCO3)c2)CC1	31264208	HSAJCJQFPFOEKY-LJQANCHMSA-N	372.465	3.481	30	40	FGEB	
C=C(C)CSc1nnc2c3c4c(sc3nc(N)n12)COC(C)(C)C4	2386600	VBXVMAFCNUBLSP-UHFFFAOYSA-N	361.496	3.441	30	40	FGEB	
N#Cc1ccccc1N1CCCN(CC(=O)N2CCCc3ccccc32)CC1	46086687	WBYFADHMVCEVCJ-UHFFFAOYSA-N	374.488	3.050	30	40	FGEB	
COc1ccc(C2=C[C@H](c3ccc(C#N)cc3)n3ncnc3N2)cc1OC	102909430	LEVUADNRYDUABH-QGZVFWFLSA-N	359.389	3.223	30	40	FGEB	
Cc1[nH]ncc1CCCNCc1cnc2c(c1)c(C#N)cn2C(C)(C)C	48343053	BDEMRWZCRKKKKH-UHFFFAOYSA-N	350.470	3.417	30	40	FGEB	
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(C#N)c1	7402328	WJGRCMUTGSRSFW-UHFFFAOYSA-N	351.406	3.058	30	40	FGEB	
CCc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)NC2=O)cc1	18324234	VDFXJTHETSPTGQ-INIZCTEOSA-N	353.447	3.497	30	40	FGEB	
C=CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1	224476041	QDKMDCIUQPXNGT-UHFFFAOYSA-N	372.490	3.074	30	40	FGEB	
C=CCN(c1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccccc1	224367898	ALTCDRYWBSROJD-UHFFFAOYSA-N	372.490	3.454	30	40	FGEB	
C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)C(=O)N1Cc2ccccc2C1	1775958990	WJEKUKHUBJMHPU-QGZVFWFLSA-N	374.488	3.048	30	40	FGEB	
Cc1c(C#N)c(SC[C@H](O)COc2ccccc2F)nc2c1CCC2	61739752	JAPGMXWNJKVSLB-CYBMUJFWSA-N	358.438	3.422	30	40	FGEB	
CCO[C@H]1Oc2ccc(F)cc2C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1	16687940	TUFKQGJRWMWYSB-JNMQVBFRSA-N	373.336	3.163	30	40	FGEB	
CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)n1	12523738	YUZDZFUDBOHSLQ-VIFPVBQESA-N	357.826	3.229	30	40	FGEB	
CC(=O)/C(=C\NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C	104301791	OOAWRECCBIWELN-FOWTUZBSSA-N	353.447	3.393	30	40	FGEB	
CCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1N=O	101854268	DCRGCQORNJUMDP-HNNXBMFYSA-N	367.427	3.131	30	40	FGEB	
N#Cc1ccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1	65592927	LPSFTGWQXSGCDI-SFHVURJKSA-N	363.417	3.105	30	40	FGEB	
COc1cc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)ccc1OC(F)F	5347201	ZYBHTDKTDMNGCS-GZMMTYOYSA-N	373.402	3.099	30	40	FGEB	
COc1ccc(/C=C2/Oc3c(ccc(O)c3CN(C)C)C2=O)c(OC)c1	36065969	IAQHXWPWUVWINL-GIJQJNRQSA-N	355.390	3.087	30	40	FGEB	
C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	218283155	GHLNUCBGNDSINI-OAHLLOKOSA-N	374.462	3.045	30	40	FGEB	
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCC2	684813624	SRDZAUVICUSQQQ-XDNAFOTISA-N	350.503	3.347	30	40	FGEB	
O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1	102864162	NRYHKZBHYZKEHR-ILCKISKLSA-N	369.442	3.349	30	40	FGEB	
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1	3336893	HDNNRQLNHYRTLN-UHFFFAOYSA-N	357.435	3.261	30	40	FGEB	
CCOC(=O)COc1ccc(/C=N/Nc2nc3ccccc3n2CC)cc1	408692020	BLIKSPNDKHHXQK-FYJGNVAPSA-N	366.421	3.444	30	40	FGEB	
N#Cc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)c(F)c1	4815475	UOGSJWSCVPSZJM-UHFFFAOYSA-N	364.365	3.116	30	40	FGEB	
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(F)c2)cc1	19138331	PRORNODJXXZFHF-SCLBCKFNSA-N	369.392	3.093	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1	408705265	ASUCJIIBTXJONW-IBGZPJMESA-N	368.433	3.407	30	40	FGEB	
COc1ccc([C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C2CC2)cn1	527996789	QWOXRNIXKSORFG-SFHVURJKSA-N	354.385	3.051	30	40	FGEB	
Cc1ccc(C/C(O)=N/[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)s1	328988242	CHJZHIIYAUNXSV-DNVCBOLYSA-N	372.494	3.184	30	40	FGEB	
Cc1ccccc1CN1C[C@@H](c2noc(-c3ccc(C#N)cc3)n2)CC1=O	44214037	XCSPVULJHUZJRO-SFHVURJKSA-N	358.401	3.433	30	40	FGEB	
CC(=O)Nc1ccc(S[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1	73867071	PZWUBOCFBCIFAV-GOSISDBHSA-N	351.431	3.414	30	40	FGEB	
COc1cc(/C=C/C(=O)CC(=O)/C=C/[C@@H]2CC=C(O)[C@H](OC)C2)ccc1O	100037298	CRCHRNHFHJDFAA-MMYKLIQSSA-N	372.417	3.365	30	40	FGEB	in-vitro
C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3ccc(F)cc3)C(=O)O[C@@H]1C2	4085343	JHLRTSHNUXYPOF-SFGIZBKVSA-N	373.468	3.442	30	40	FGEB	
Cc1nc(C)c(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)s1	10142545	XKBGUPOGUMDBIV-UHFFFAOYSA-N	361.398	3.003	30	40	FGEB	
COc1ccc(CC[n+]2cccc(/C(=N\O)c3ccccc3)c2)cc1OC	104121427	MYFJAZKRVFQKTK-FCQUAONHSA-O	363.437	3.461	30	40	FGEB	
COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(C#N)cc2)c1C	3351973	RJQBKFGQFSSITB-CQSZACIVSA-N	354.406	3.224	30	40	FGEB	
N#Cc1ccccc1-c1ccc(CN2CCN(c3ncc(F)cn3)CC2)o1	65420957	GMBPUXLYOXSRLV-UHFFFAOYSA-N	363.396	3.070	30	40	FGEB	
CCOc1cc(/C=N\N=C(\S)NCc2ccccc2)cc([N+](=O)[O-])c1O	96318613	PBWNFINZECRZHJ-ODLFYWEKSA-N	374.422	3.109	30	40	FGEB	
COc1cc(OC)c(/C=N/Nc2nc(C)cc(C)n2)cc1Br	4897627	CTLBWETUZBWVQI-CAOOACKPSA-N	365.231	3.319	30	40	FGEB	
Cc1ccccc1C(=O)/C(=C\N(C)C)c1nnnn1-c1ccc(Cl)cc1	16362548	APLBMDPEEFUGEB-SFQUDFHCSA-N	367.840	3.410	30	40	FGEB	
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)OCc1ccccc1	17016195	VNHOAXODGGNDHC-UHFFFAOYSA-N	351.401	3.271	30	40	FGEB	
CCN1C(=O)/C(=C\c2cccnc2)S/C1=N\c1cccc(C(=O)O)c1	210587049	FWIXZDCGYZAEEX-HBVQVORYSA-N	353.403	3.404	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	218056173	WOPVTRZZWMQKRO-SQNIBIBYSA-N	361.850	3.436	30	40	FGEB	
C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]2O	5575160	SZAHIEIJJDKFRX-SZZUBXOXSA-N	374.477	3.156	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1	6549560	UZBVAZJQRVUUNM-LJQANCHMSA-N	369.494	3.291	30	40	FGEB	
C[C@@]1(C(=O)N2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC=CCC1	1565550044	NMFSKATYJXHDRR-YADHBBJMSA-N	363.461	3.260	30	40	FGEB	
C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CC[C@H](C)C3	1245481	QSXCDHHMYOCWPA-JTQLQIEISA-N	364.492	3.034	30	40	FGEB	
COc1ccccc1/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1	6602830	VXEIOZYCPNKWIM-MRXNPFEDSA-N	369.446	3.252	30	40	FGEB	
COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)c1	8058913	DJZVBWCWNIZBIC-SFHVURJKSA-N	372.446	3.101	30	40	FGEB	
N#Cc1cccc(N2C[C@]3(CCN(C(=O)NC4CCCCC4)C3)CC2=O)c1	96238880	LTLCZRTUWFECKU-OAQYLSRUSA-N	366.465	3.029	30	40	FGEB	
C#CCCC1(CCC(=O)N2CC3(CC3)c3ccccc3[C@@H]2C(=O)O)N=N1	1616031401	MMRGVPILHMEFKB-QGZVFWFLSA-N	351.406	3.042	30	40	FGEB	
Cc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C2CC2)cc1C	6979351	MNBODHXQOCECIM-IBGZPJMESA-N	354.479	3.390	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc2nccnc12	12389656	FRYQRNCQXUSVKC-INIZCTEOSA-N	362.393	3.235	30	40	FGEB	
CC(C)c1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1	20100233	APOVRUDMMNQNFL-UHFFFAOYSA-N	351.435	3.222	30	40	FGEB	
CC[C@H]1S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	100973175	KEOKPNMCWRVXNB-IUDBQGPFSA-N	372.537	3.480	30	40	FGEB	
O=C1c2cn[nH]c2N=C(Nc2ccccc2)[C@H]1/N=C/c1ccc([N+](=O)[O-])cc1	102986204	GHXSOKVBPRVLBQ-UWSDUSPXSA-N	374.360	3.144	30	40	FGEB	
CCCCCS(=O)(=O)/N=C1/S[C@@H](CC)C(=O)N1c1ccccc1	101219212	KDYGDMKKJIRQGK-VUAZUDAXSA-N	354.497	3.421	30	40	FGEB	
C=CCOc1ccc(/C=C/C(=O)N(CC(=O)OCC)C(C)C)cc1OC	58377925	PEZQWCIGUPXDIR-PKNBQFBNSA-N	361.438	3.073	30	40	FGEB	
N#Cc1c(NC(=O)COc2ncnc3ccccc23)sc2c1CCC2	3260290	UPEOYBQXODNXDS-UHFFFAOYSA-N	350.403	3.069	30	40	FGEB	
C/N=C(\c1ccccc1)N1CCN(CCOc2ccc(Cl)cc2)CC1	21642092	ZSSWQZBURNWUDO-LSDHQDQOSA-N	357.885	3.413	30	40	FGEB	
Cn1c2ccccc2c2nnc(N/N=C/c3ccc(Br)o3)nc21	4457688	DKSDSAKWUADASX-CAOOACKPSA-N	371.198	3.318	30	40	FGEB	
C=CCn1c(SCC(=O)Nc2cc(C)no2)nnc1-c1ccccc1	8748456	NEHNVVNMLZEYCO-UHFFFAOYSA-N	355.423	3.158	30	40	FGEB	
Cc1c(/N=C\[C@H]2CCCN3CCCC[C@H]23)c(=O)n(-c2ccccc2)n1C	5921259	SEXYFKGWMWZYHK-LDDJXLJQSA-N	352.482	3.451	30	40	FGEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F	102931828	YCOGFUPPPNZGJF-GHNGSUTGSA-N	369.392	3.284	30	40	FGEB	
N#C[C@@]12C(=N)N=C3O[C@@]4(CCCC[C@@H]14)O[C@H](c1ccc(F)cc1)[C@]32C#N	102865596	ONZVTWDZJYEHLS-HLULTAIVSA-N	350.353	3.223	30	40	FGEB	
CCN(/N=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)c1ccc(C)cc1	7813890	BZVRZBZUVOZVAE-TYJAPOHBSA-N	374.510	3.028	30	40	FGEB	
N=C1S/C(=C\c2ccc(OCC(=O)O)cc2)C(=O)[C@@H]1c1nccs1	33421847	YZLMXHKFAUEUIH-SPEUWIMTSA-N	360.416	3.024	30	40	FGEB	
N=C1S/C(=C\c2ccc(OCCC(=O)O)cc2)C(=O)[C@@H]1c1nccs1	34719146	GNCBMCLUFKJEOK-OCLZBJRFSA-N	374.443	3.414	30	40	FGEB	
CCOC(=O)COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1	408930758	BRYGDKUQFVOSIE-PXLXIMEGSA-N	368.433	3.216	30	40	FGEB	
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C=O)cc1	218547363	CWPUUSLREALRNV-FGTMMUONSA-N	359.834	3.297	30	40	FGEB	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	12656778	WQGCFNGITAJFSI-WDYCEAGBSA-N	373.449	3.484	30	40	FGEB	
N#Cc1c(CSc2nnc(-c3ccccc3F)n2N)cn2ccccc12	12823060	LYEZXIBXZPZEOE-UHFFFAOYSA-N	364.409	3.215	30	40	FGEB	
CC(=O)c1ccc(O[C@H](C)C(=O)OCCOc2ccc(C#N)cc2)cc1	9394310	YYJAEHPBDYKMLF-OAHLLOKOSA-N	353.374	3.150	30	40	FGEB	
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccc(F)c1)O3	4451194	QOXYKXOQFVXHFB-RGCFKVTRSA-N	350.353	3.335	30	40	FGEB	
CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1(C)C	47460771	AQAPCVIWQCEVEE-WBVHZDCISA-N	368.481	3.311	30	40	FGEB	
CC(=O)c1ccc(O[C@@H](C)C(=O)OCCOc2ccc(C#N)cc2)cc1	9394309	YYJAEHPBDYKMLF-HNNXBMFYSA-N	353.374	3.150	30	40	FGEB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1cn2ccccc2c1C#N	84409576	ZRDMFODAKNWAIB-KRWDZBQOSA-N	371.437	3.403	30	40	FGEB	
COc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1	27028136	AYFAUUVYSQUMOZ-UHFFFAOYSA-O	366.416	3.175	30	40	FGEB	
C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1	30320092	HTXRBLVALUOEIL-UHFFFAOYSA-N	365.426	3.220	30	40	FGEB	
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sc(Br)cc2C1	644967038	NVAGJWUECIZCPC-JQWIXIFHSA-N	371.300	3.169	30	40	FGEB	
CC[C@@H]1S/C(=N/S(=O)(=O)c2cccs2)N(c2ccccc2)C1=O	16754885	NHQFTRXRQNYBRY-VVLLMFOMSA-N	366.489	3.351	30	40	FGEB	
NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(-c2ccccc2)cc1	100812141	YPQSWVAWZIUZPQ-LYBHJNIJSA-N	355.401	3.441	30	40	FGEB	
N#Cc1ccc(OC2CCN(C(=O)c3ccc4ncsc4c3)CC2)nc1	90607614	ACNTUYQTDPZIBS-UHFFFAOYSA-N	364.430	3.247	30	40	FGEB	
C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cccnc1	20171436	SGPICUNNZAPHGH-ZDUSSCGKSA-N	357.483	3.066	30	40	FGEB	
N#Cc1ccccc1OCC(=O)Nc1cccc(C#Cc2ccccn2)c1	32905222	IWHURARXEVIAGA-UHFFFAOYSA-N	353.381	3.371	30	40	FGEB	
C#CC(CC)(CC)NC(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1	12556704	UQJLORRLIMWUAH-MRXNPFEDSA-N	363.527	3.079	30	40	FGEB	
C=CCN1C(=O)N[C@@H](c2cccc(Br)c2)C(C(=O)OC)=C1C	12853702	VKNKNRPBVJATSE-AWEZNQCLSA-N	365.227	3.148	30	40	FGEB	
CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1	4473653	JSUCJIRFTDSTHU-XAIYEJPOSA-N	357.410	3.416	30	40	FGEB	
N#CC1(NC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CCCC1	4935845	HMKHKFXBRICDKV-UHFFFAOYSA-N	367.478	3.189	30	40	FGEB	
N#CC1(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)CCCCC1	7432714	GFDWYKPQOWBCLH-CMDGGOBGSA-N	369.446	3.195	30	40	FGEB	
Cc1c(/N=C2\C(=O)Nc3ccc(Cl)cc32)c(=O)n(-c2ccccc2)n1C	17193624	ZDIBVUHZHSBTJO-UHFFFAOYSA-N	366.808	3.211	30	40	FGEB	
COc1ccc(/C=C/C(=O)C(C(=O)O)=C2SCCCS2)cc1OC	62716087	GUAJHTFLUPQGKC-GQCTYLIASA-N	366.460	3.452	30	40	FGEB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/CCNc1ccc([N+](=O)[O-])cc1	6043898	SXTSUHJOWGIOBR-DEDYPNTBSA-N	365.393	3.326	30	40	FGEB	
C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@]3(O)C(C)(C)C=CC(=O)[C@@]3(C)[C@@H]1C2	1772591393	AXKTZQUAUIMSFK-QKPMCWFWSA-N	360.450	3.067	30	40	FGEB	
CCOC(=O)C1=C(N)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1C	5398785	DJACFOPFEWEAPH-QGZVFWFLSA-N	368.477	3.367	30	40	FGEB	
N#Cc1cccnc1N1C[C@@H]2CN(c3nc4ccc(F)cc4s3)C[C@H]2C1	2086868819	OFOYANNDAXYDJS-ZIAGYGMSSA-N	365.437	3.275	30	40	FGEB	
CCCC(=O)C1=C(Nc2ccccc2N)CC(C)(C)[C@H](C(=O)OC)C1=O	102174970	CPZHRYGZZKASPS-KRWDZBQOSA-N	358.438	3.092	30	40	FGEB	
Cc1cn2c(/C=C/C(=O)c3ccc(OCC(=O)O)cc3)c(C)nc2s1	32853611	XTAWLTGMEMFZDI-BQYQJAHWSA-N	356.403	3.372	30	40	FGEB	
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)no1	1450312	QFBAIYYXDSVNNH-INIZCTEOSA-N	350.330	3.359	30	40	FGEB	
O=S1(=O)CC[C@@H](N(/N=C\c2c[nH]c3ccccc23)c2ccccc2)C1	6575320	LOGHWOKNQJTQBK-OJSPLJLUSA-N	353.447	3.196	30	40	FGEB	
CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccccc2C#N)n1	58163694	CSQPMUDFNVIYLD-UHFFFAOYSA-N	358.398	3.280	30	40	FGEB	
COc1ccc(/C=N\N=C2\S[C@H](C)C(=O)N2Cc2ccco2)c(OC)c1	9189572	CZYKRHNTVYQSHZ-UZRCVPQUSA-N	373.434	3.151	30	40	FGEB	
O/N=C1/[C@H]2CC[C@H](C2)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1	100971177	QEZLACWEDHEKLF-HRRLJWMLSA-N	353.388	3.456	30	40	FGEB	
COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(F)cc4)c(C)nc3c2c1	2213692	MQRHTUALTCXVAU-UFFVCSGVSA-N	350.353	3.216	30	40	FGEB	
O=S1(=O)N=C(N/N=C/c2ccc(Cl)cc2Cl)c2ccccc21	4720750	LQKNBTKGAIEIAP-CAOOACKPSA-N	354.218	3.066	30	40	FGEB	
N=C1S/C(=C\c2cccc(OCC(=O)O)c2)C(=O)[C@@H]1c1nccs1	33720746	KZAKAVHLOICVDB-SPEUWIMTSA-N	360.416	3.024	30	40	FGEB	
COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1OC	222978465	XHNABEARKOSXDL-UHFFFAOYSA-N	358.419	3.060	30	40	FGEB	
CCOC(=O)/C(Cc1cc(=O)n(C)c2ccccc12)=N/Nc1ccccc1	16953477	YDHXEDKCVVJCLO-PTGBLXJZSA-N	363.417	3.112	30	40	FGEB	
CC(=O)Nc1ccc(S(=O)(=O)/N=C(\C2CCCC2)N2CCCC2)cc1	17379961	DSTWNGREXVWICZ-CZIZESTLSA-N	363.483	3.018	30	40	FGEB	
C=CCN1CCC[C@]12CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2	1614934635	RYHDKTOUQNKVJT-IBGZPJMESA-N	358.873	3.244	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)c1C#N	693651	KAGMFNFOIJOKMO-UHFFFAOYSA-N	369.446	3.342	30	40	FGEB	
Cc1nc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c(C)c1C	1025595	NXIFNXDCCWDSJE-INIZCTEOSA-N	351.431	3.303	30	40	FGEB	
C=CCn1c(SCc2ccc3nonc3c2)nnc1-c1cccnc1	1072350	DUMBUACIZMOJCV-UHFFFAOYSA-N	350.407	3.355	30	40	FGEB	
CC(C)c1ccc([C@H]2C3=C(CCCC3=O)Nc3c(C(N)=O)cnn32)cc1	40268938	SDPAIKAHYVISBQ-SFHVURJKSA-N	350.422	3.127	30	40	FGEB	
COc1cc(CC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC	14108632	XDIVCCHPLZDIJD-UHFFFAOYSA-N	360.435	3.444	30	40	FGEB	
C/C(=N\OCC(=O)Nc1cc(C)on1)c1ccc(Br)cc1	5447315	RSTCORDXAOZPDZ-LICLKQGHSA-N	352.188	3.125	30	40	FGEB	
C=CCn1c(SCC(=O)c2ccc3c(c2)CCC(=O)N3)nnc1C1CC1	9502538	SYJWRBWIKSCVFR-UHFFFAOYSA-N	368.462	3.201	30	40	FGEB	
C[C@@H]1CCC/C(=N\Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1	7814682	SGHNNFMGJNROHQ-CVALACBASA-N	350.488	3.234	30	40	FGEB	
C=CCN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O	408629879	JPOPQOKYQDUXGX-UHFFFAOYSA-N	364.511	3.481	30	40	FGEB	
CC[C@@H]1S/C(=N\S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O	18066083	KEOKPNMCWRVXNB-SUQMRRJOSA-N	372.537	3.480	30	40	FGEB	
Cn1nccc1[C@@H]1OCC[C@H]1C/N=C(/O)[C@H]1CCCN1c1ccccc1	329169698	JFTXRQAYBJSULF-KFKAGJAMSA-N	354.454	3.123	30	40	FGEB	
COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c3c(c1)OCO3)C2	85878024	WBAZZWWXGLBQIN-PQMHYQBVSA-N	354.358	3.264	30	40	FGEB	biogenic
CCOC[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1	242498497	HITWJLUVHAKRPZ-GUDVDZBRSA-N	359.422	3.312	30	40	FGEB	
Cc1cc(/C=N\n2cnnc2)c(C)n1-c1sc2c(c1C#N)CCCC2	1097201	CFPIXPNEFUXRMA-AFPJDJCSSA-N	350.451	3.380	30	40	FGEB	
COc1ccc(CC[n+]2cccc(/C(=N/O)c3ccccc3)c2)cc1OC	16951251	MYFJAZKRVFQKTK-GHVJWSGMSA-O	363.437	3.461	30	40	FGEB	
COC(=O)C(C(=O)CSc1ccccc1F)=C1Nc2ccccc2N1	25510567	YPFXNBLWSOLQRY-UHFFFAOYSA-N	358.394	3.409	30	40	FGEB	
C=CCO[C@H]1CC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)c2cc(C)ccc21	1565543045	KIQYPLFUQYXSGZ-IZZBFERCSA-N	367.489	3.395	30	40	FGEB	
N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1	40011974	RLXDCURSPJOPIP-DOJUMQAQSA-N	357.417	3.020	30	40	FGEB	
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)cc1	707635	MNLHVAGAKMURRB-IBGZPJMESA-N	351.402	3.222	30	40	FGEB	
Cc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@@H]3CCCO3)nc2c1	1354462	PTIUOOGAIXCAHX-HNNXBMFYSA-N	355.463	3.111	30	40	FGEB	
O=C1C=CC([C@@H](c2ccc(O)cc2)c2ccccc2S(=O)(=O)O)C=C1	2149799	JHVBDZYHVNITCF-IBGZPJMESA-N	356.399	3.082	30	40	FGEB	
COc1ccc(C(=O)CCC(=O)OCc2ccccc2C#N)cc1OC	27589983	FFLPSRPUWGZZEV-UHFFFAOYSA-N	353.374	3.282	30	40	FGEB	
C[C@H](Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)N1CCOCC1	58179936	INVOGQZGLRBRCF-HNNXBMFYSA-N	351.406	3.010	30	40	FGEB	
CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cs1	58202046	SFGMGOZJWIMWIJ-SOFGYWHQSA-N	369.446	3.297	30	40	FGEB	
C[C@]12OC(=N)[C@@](C#N)([C@H](c3ccco3)O1)C(C#N)(C#N)[C@H]2c1ccccc1	102675376	RHQCNXVWUHSVNE-JSFADZTLSA-N	358.357	3.402	30	40	FGEB	
CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(COC)c2C#N)c(O)c1	5127556	HYIGKRLPLFMJHF-WSDLNYQXSA-N	367.453	3.406	30	40	FGEB	
CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)c2ccco2)nc1C	7338473	KLAVTYDNDDRLDV-LBPRGKRZSA-N	373.434	3.001	30	40	FGEB	
C=CCN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc2c(s1)CCCC2	7981050	IVBNYUHDHQKEAD-AWEZNQCLSA-N	373.522	3.332	30	40	FGEB	
Cn1cc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cn1	225393825	HGMPLECTHZLUNI-DUXPYHPUSA-N	359.179	3.185	30	40	FGEB	
C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(F)c2)c1	223743430	OYOBLHDTVCTHFQ-UHFFFAOYSA-N	365.426	3.220	30	40	FGEB	
O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1)[C@H]1CCn2ccnc2C1	329976915	FTNNRCMQKNJODT-KKUMJFAQSA-N	362.474	3.076	30	40	FGEB	
COc1ccccc1OC/C(O)=N/S(=O)(=O)c1ccccc1Cl	48576251	LVHQHWDMLVJSFC-UHFFFAOYSA-N	355.799	3.073	30	40	FGEB	
CCOc1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	17027239	UZOKOGXFQRRFRV-UHFFFAOYSA-O	362.453	3.426	30	40	FGEB	
C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cccc(O)c3)c2C#N)C1	5755107	KASWEVTUELKJGZ-NSHDSACASA-N	370.430	3.246	30	40	FGEB	
Cc1cc(C)c2cc(C#N)c(SCC(=O)NC[C@H]3CCCO3)nc2c1	1354461	PTIUOOGAIXCAHX-OAHLLOKOSA-N	355.463	3.111	30	40	FGEB	
COc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1	6486670	OLFUPPRMDOPGRU-UHFFFAOYSA-N	370.430	3.303	30	40	FGEB	
CCc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1	7268135	JMTYELKWXILSBI-HNNXBMFYSA-N	364.449	3.018	30	40	FGEB	
O=[N+]([O-])c1ccc(/C=N\c2n[nH]c(/N=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	104809814	ADRFRARFDFYSBF-BUOZRGFLSA-N	365.309	3.122	30	40	FGEB	
C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)N(C)C1(C#N)CCCCC1	57756090	WLSOBPWMSSNCCB-OAHLLOKOSA-N	357.454	3.333	30	40	FGEB	
CCCCCCCCCCCCN1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21	100839264	IQAUHVSHMRQVHY-JKSUJKDBSA-N	360.589	3.263	30	40	FGEB	
C#CCSc1nnc(-c2ccccc2)n1C(=O)c1cccnc1Cl	2571090	TZJYQNWYCPPKQI-UHFFFAOYSA-N	354.822	3.407	30	40	FGEB	
COc1ccc(-n2cnnc2SCCOc2ccc(C#N)cc2)cc1	3362130	GYOQTENRZAVHGQ-UHFFFAOYSA-N	352.419	3.319	30	40	FGEB	
C#CCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O	5620436	YRAVFLAENLHVOW-UHFFFAOYSA-N	351.189	3.385	30	40	FGEB	
C[C@H](/N=C1\SCCN1C(=O)c1ccc(NC(N)=O)cc1)c1ccccc1	7654746	FMOWUNHSCMZGOC-OMEIHDDLSA-N	368.462	3.483	30	40	FGEB	
C=CCn1c(S)nnc1COc1c(F)cc(Br)cc1F	226073083	WUKKGOWCPOUJFM-UHFFFAOYSA-N	362.199	3.373	30	40	FGEB	
CCCCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N=C2C[C@@H](C)ON2)cc1	670417808	HKUBEFLRTMGJLJ-QAPCUYQASA-N	373.497	3.412	30	40	FGEB	
Cn1ccnc1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1	585294472	GDDDIFUEBQYSTI-GOSISDBHSA-N	359.437	3.162	30	40	FGEB	
O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1nnc2ccccc21	2700752	GMZXDPSVHHMQOB-HNNXBMFYSA-N	370.412	3.242	30	40	FGEB	
Cc1ccc(NC(=O)C(/C=[N+](/C)[O-])C(=O)Nc2ccc(C)cc2C)c(C)c1	1400428	UYMVOCKYSUIGLX-MSXFZWOLSA-N	367.449	3.325	30	40	FGEB	
C/N=C1\S/C(=C/c2ccc(OC)c(O)c2)C(=O)N1/N=C\c1ccccc1	101646834	BXUBIOMNCFZDCI-IVKXUYKNSA-N	367.430	3.337	30	40	FGEB	
CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1	6001756	OSEALNIFOVQFRH-CQSZACIVSA-N	353.447	3.446	30	40	FGEB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1/C=N/c1cccc(Cl)c1	408740685	LTCGSDGLQODXCO-FVOVHSBVSA-N	357.822	3.106	30	40	FGEB	
C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1	4956880	VVXHFFSKBJIFFP-LSDHHAIUSA-N	350.422	3.202	30	40	FGEB	
CCCCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C	8386822	JVUTWYWMSKLSNH-UHFFFAOYSA-N	352.504	3.286	30	40	FGEB	biogenic
CCc1cc(N[C@H](C)CC[S@@](C)=O)n2c(nc3ccccc32)c1C#N	76092972	PTWKAWWXMPNIMH-SHZVTRLKSA-N	354.479	3.491	30	40	FGEB	
COc1ccc(/N=C2/S[C@@H](CC(=O)O)C(=O)N2[C@H]2C=CCCC2)cc1	35185200	VRGMBMPBWONHKD-XFZROIIOSA-N	360.435	3.210	30	40	FGEB	
COC[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1	218454846	ICBYPOBNMXLKFT-QYZOEREBSA-N	359.422	3.230	30	40	FGEB	
Cc1cc(C)c(C#N)c(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1	1889091589	FNPYIKOQZFMQPZ-UHFFFAOYSA-N	356.861	3.119	30	40	FGEB	
CC(=O)c1cc(C#N)c(SCc2cc(=O)n3c(C)csc3n2)nc1C	23224002	QGUKJNGYYDPLKU-UHFFFAOYSA-N	370.459	3.134	30	40	FGEB	
CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NC2CCC(C)CC2)C1=O	101661947	HBMYALLEKOQZFW-PMTKGXAQSA-N	365.518	3.352	30	40	FGEB	
CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	672370	BFFPOBIMPPEBJP-HMMYKYKNSA-N	357.479	3.288	30	40	FGEB	
CN(C)CCn1cc(C(=O)N(C)Cc2cccc(C#N)c2)c2ccccc21	57265106	BWUOVWWMYPMZAQ-UHFFFAOYSA-N	360.461	3.347	30	40	FGEB	
C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(F)cc1	2463623	LBGMOYSSTRWFTA-ABAIWWIYSA-N	360.410	3.204	30	40	FGEB	
N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1	7055691	AWWRIYAOGBAEIJ-UHFFFAOYSA-N	356.403	3.401	30	40	FGEB	
O/C(=N/C[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H](c2ncc[nH]2)C1	329975571	DTNQWJMHGMDZAU-OALUTQOASA-N	367.497	3.025	30	40	FGEB	
COc1ccc(/N=C2/S[C@H](Cc3ccc4c(c3)OCO4)C(=O)N2C)cc1	8091962	IAICOUMATAFZRQ-NHKNDPDJSA-N	370.430	3.228	30	40	FGEB	
COc1cccc(N2CCN(c3ncc(Br)cc3C#N)CC2)c1	323495252	DNFBXOOBWSCVRY-UHFFFAOYSA-N	373.254	3.051	30	40	FGEB	
Cc1ccc(NC(=S)N/N=C/c2ccc(N(C)CCO)cc2)c(C)c1	7008123	FHXDXTCHWBHRJJ-DEDYPNTBSA-N	356.495	3.052	30	40	FGEB	
N#Cc1ccccc1N1CCC[C@H](NCc2c[nH]nc2-c2cccnc2)C1	109077765	AARQRUTVYRUZMP-IBGZPJMESA-N	358.449	3.102	30	40	FGEB	
Cc1nnc(/N=C2/S/C(=C\C3=Cc4ccccc4OC3)C(=O)N2C)s1	102755276	MTPDAMCQJSJOBS-RRKLAFECSA-N	370.459	3.399	30	40	FGEB	
CC(C)[C@@](C)(C#N)NC(=O)CSc1ncnc2sc3c(c12)CCC3	6112467	GKVKQIIROGFKNS-QGZVFWFLSA-N	360.508	3.327	30	40	FGEB	
CN(C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C#N)c1	65592090	JPGFMPUFQWIHEK-UHFFFAOYSA-N	365.477	3.244	30	40	FGEB	
C=C(C)CN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc(OC)c1	9469850	CHJOKUIADNTYSC-LJQANCHMSA-N	365.433	3.427	30	40	FGEB	
COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(C#N)c3)CCC(=O)N2C)cc1	72242111	QJWGNLBQEHYBDU-QUCCMNQESA-N	363.417	3.115	30	40	FGEB	
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	16929165	PSRYHQQVKMOFNA-HZCIDLMISA-N	356.462	3.039	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2c(C)cc(C)cc21	100910103	VLIWZXZSLKCQET-ZCXUNETKSA-N	355.375	3.195	30	40	FGEB	
Cc1c(C#N)c(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)nc2c1CCC2	53570203	YGGPAWVPAFOVPC-ROUUACIJSA-N	371.506	3.013	30	40	FGEB	
Cc1ccc([S@](=O)ON2CCC(C(=O)O)(c3ccccc3)CC2)cc1	1608627	AUNZEEIWDQBQHT-VWLOTQADSA-N	359.447	3.068	30	40	FGEB	in-vitro
COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c1	102684676	WNNKDNBPUPCCPU-YAJHFMINSA-N	362.389	3.204	30	40	FGEB	
C=CCOc1ccc(-c2nonc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1	12407122	QCZXXNRHRKMIDW-UHFFFAOYSA-N	366.333	3.462	30	40	FGEB	
C#CCn1/c(=N/C(=O)c2cc(C)n(CC)n2)sc2cc(SC)ccc21	101070254	UEZHXDDQRDNQSG-HNENSFHCSA-N	370.503	3.324	30	40	FGEB	
Cc1cc(O)c(C(=O)/C=C/c2cc(C(=O)O)cc3c2OCOC3)cc1C	4026679	QPXPMZIQVSHHIV-ONEGZZNKSA-N	354.358	3.470	30	40	FGEB	biogenic
N#Cc1cnn(C(=O)COc2ccc(-c3ccccc3)cc2Cl)c1N	65566692	JNLYGNDXCITPAK-UHFFFAOYSA-N	352.781	3.377	30	40	FGEB	
Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C#N)c3)n2)cc1C	6767911	ZOLOTSCWPWATQB-UHFFFAOYSA-N	358.401	3.038	30	40	FGEB	
C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nnnn1C1CC1	95953377	RDOWHBUZCDSTER-LLVKDONJSA-N	374.495	3.133	30	40	FGEB	
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3(C#N)CCCCC3)ccc12	7129982	ZFKOUEPPVYKBCT-AWEZNQCLSA-N	354.406	3.211	30	40	FGEB	
COC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)c(C)c1	409228976	HYMCVGARYSRJFP-HYARGMPZSA-N	368.433	3.377	30	40	FGEB	
CC1(C)C(=O)N(c2ccccc2)/C(=N\C2CCCCC2)[C@H]1N1CCOCC1	255187556	FIDLRCLALVYZQF-IGTQYIEMSA-N	369.509	3.491	30	40	FGEB	
CC1(C)C2=C(O)C(=O)C3=C(C(=O)C[C@@]4(C)C(=O)CC[C@@]34C)[C@@]2(C)CC[C@@H]1O	263597492	GVIAMIGKWDQCSW-VIWXFRHCSA-N	372.461	3.213	30	40	FGEB	
Cc1nc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)c(Cl)cc1C#N	1775961167	DRFSLIQWXNGQEI-OCCSQVGLSA-N	358.833	3.243	30	40	FGEB	
Cc1cc(N)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1	22089536	UAYHMEOSKAUISJ-UHFFFAOYSA-N	373.507	3.300	30	40	FGEB	
C=CCc1cc(C(=O)NCc2ccccc2CN(C)C)cc(OC)c1OC	21938524	JGVVLHACTGILKM-UHFFFAOYSA-N	368.477	3.424	30	40	FGEB	
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	794990	SZWWBNLWNZJLQP-CRAIPNDOSA-N	367.401	3.345	30	40	FGEB	
CC(=O)NC1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O	3125016	CRWXWIMODPORMR-UHFFFAOYSA-N	370.202	3.376	30	40	FGEB	
C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCCC)[nH]c(=O)c32)cc1	4944406	NJSCOVRXMCKVDM-CQSZACIVSA-N	371.462	3.311	30	40	FGEB	
C[C@H](C#N)OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1	12335845	QGQYVHDKUODJTJ-LLVKDONJSA-N	354.328	3.013	30	40	FGEB	
Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2cccc(Cl)c2)c1	4422793	NJOFRKOKUGAACN-KEBDBYFISA-N	369.812	3.152	30	40	FGEB	
Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1S(=O)(=O)N(C)C	6647612	ZFERGAGJSIGTSZ-VCHYOVAHSA-N	352.843	3.355	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C	7987821	HDCVINVFSZPXPV-HOCLYGCPSA-N	371.510	3.486	30	40	FGEB	
Cc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)c1C	408742662	XQKLQPWBCUNPEJ-BBJIBYMTSA-N	351.431	3.070	30	40	FGEB	
CCc1nc(S/C(=C\c2cn(CC#N)c3ccccc23)C(=O)O)n[nH]1	213406664	SXMZEINHVSFACU-ZROIWOOFSA-N	353.407	3.063	30	40	FGEB	
C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224769564	GFYKSCCDDDBRST-UHFFFAOYSA-N	362.407	3.293	30	40	FGEB	
C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2	224830144	AIAVMPHXRVEGFO-UHFFFAOYSA-N	359.447	3.456	30	40	FGEB	
C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(F)cc1	224909313	LIDDORFECCRACO-UHFFFAOYSA-N	363.410	3.384	30	40	FGEB	
COc1cc(CCCNC(=O)Nc2cc(C)cc(C#N)c2)cc(OC)c1O	598658588	VVOFYTDZCLCXPZ-UHFFFAOYSA-N	369.421	3.344	30	40	FGEB	
CNc1cc(N2CCC[C@@H]2CNc2nc(C(C)(C)C)ccc2C#N)ncn1	613420736	LAIOZPNBNOTONE-OAHLLOKOSA-N	365.485	3.163	30	40	FGEB	
O=[N+]([O-])c1ccc(-c2ccc(/C=N\n3cnnc3)o2)c(Br)c1	1194778	XZDNFGFNLDWJAV-FMQZQXMHSA-N	362.143	3.091	30	40	FGEB	
Cc1sc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N=C3O)c2C)c(C#N)c1C	16994178	ULYMHXZNQJXOGF-UHFFFAOYSA-N	368.418	3.234	30	40	FGEB	aggregator
COc1cc(/C(C)=N\N2CCN(Cc3ccc(C)cc3)CC2)ccc1O	20103440	OSZUUEALDYTAHJ-XLNRJJMWSA-N	353.466	3.251	30	40	FGEB	
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)s1	1464658	YIZIIWQLZXDSPJ-CQSZACIVSA-N	367.386	3.222	30	40	FGEB	
N#Cc1c(F)cccc1NCCNC(=O)c1csc(-c2ccccn2)n1	58432611	OWROZKFFLRUBNP-UHFFFAOYSA-N	367.409	3.058	30	40	FGEB	
COc1cc(/C=N\O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	100250237	DOTXQIYVLDEJDS-MFOYZWKCSA-N	355.799	3.233	30	40	FGEB	
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2	2757758	LABMVYDKVYFZRN-LJQANCHMSA-N	369.417	3.336	30	40	FGEB	
Cc1sc(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(C#N)c1C	21668174	FLRSGYSWVOGWOZ-UHFFFAOYSA-N	369.446	3.381	30	40	FGEB	
N#C[C@@H](c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(F)cc1	3319629	URRUOJAXGXTRJV-AWEZNQCLSA-N	361.785	3.461	30	40	FGEB	
CCCCOC(=O)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1	408964273	QIOILDPMSGKUJD-LPYMAVHISA-N	354.406	3.258	30	40	FGEB	
C=CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccc(F)cc1	9614903	CMWUHOXILLFHEI-UHFFFAOYSA-N	372.425	3.419	30	40	FGEB	
CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C(\C)c2c(O)cccc2O)cc1	17074592	AXGIKPGMHPYQNP-MCMJHOFTSA-N	362.451	3.314	30	40	FGEB	
Cc1ccnc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c1	409351788	ZEZDECANHOBKPA-UHFFFAOYSA-N	373.416	3.095	30	40	FGEB	
O=C(COc1ccc(/C=N\c2ccccc2F)cc1)NC[C@@H]1CCCO1	408799623	HDTCCEIQMYDRPW-SLCIXIPPSA-N	356.397	3.250	30	40	FGEB	
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)CO)cc1	218363907	QPBVBOSGUGRZNH-KURKYZTESA-N	361.850	3.090	30	40	FGEB	
Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3	805445	GUBJTMMVJLXSMN-VXLYETTFSA-N	368.418	3.436	30	40	FGEB	
CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)OC)ccc2C1=O	9530452	JIPQSMGDIMJESH-ZDLGFXPLSA-N	354.358	3.253	30	40	FGEB	biogenic
COc1cc(C(=O)/C=C2\C(=O)Nc3ccc(C)cc32)cc(OC)c1OC	32646577	GONQTDBKTSSWTH-UVTDQMKNSA-N	353.374	3.239	30	40	FGEB	
C=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1	32765726	OZEHKPBSMBLWTG-OAHLLOKOSA-N	370.474	3.324	30	40	FGEB	
COC(=O)C1=C(O)C2=C(CC(C)(C)CC2=O)N2CCc3ccccc3[C@@H]12	4029322	IMOWSQBUFZINFR-SFHVURJKSA-N	353.418	3.228	30	40	FGEB	biogenic
CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3OC)NC2=O)cc1	6555767	CABQQNRADOCKHE-LANLRWRYSA-N	367.474	3.422	30	40	FGEB	
N#Cc1cc(F)c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(F)c1	95410077	YQOCFGPTXSAMHZ-UHFFFAOYSA-N	355.344	3.325	30	40	FGEB	
O=C(Cn1cc(/C=N/Cc2ccccc2)c2ccccc21)N1CCOCC1	408963205	XXGDEVOUDQHQHA-HZHRSRAPSA-N	361.445	3.119	30	40	FGEB	
C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2cccc(C(F)(F)F)c2)c1	47194439	CZWQLIPCSDURKO-UHFFFAOYSA-N	374.362	3.326	30	40	FGEB	
N#C[C@]1(C=O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	225667483	VKISBDCRJLMINS-IKGGRYGDSA-N	363.797	3.128	30	40	FGEB	
O=C(/C=C\c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1[N+](=O)[O-]	5105083	LDZOZIDZFFKDDX-DSOJMZEYSA-N	352.302	3.368	30	40	FGEB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1C#N	12656770	WQGCFNGITAJFSI-SUMDDJOVSA-N	373.449	3.484	30	40	FGEB	
C=CCNC(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc12	12232868	AHBGBEFUHIUYPE-UHFFFAOYSA-N	356.476	3.456	30	40	FGEB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(C)nn32)cc1OC	13121760	JDVKRVMWWAUZBD-SFHVURJKSA-N	368.437	3.262	30	40	FGEB	
CC(C)[C@](C)(C#N)NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12	2622468	SNMDAKILXXRKQB-AWEZNQCLSA-N	372.281	3.183	30	40	FGEB	
CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1	12348193	MAIIATQAFOLHEH-OAHLLOKOSA-N	352.438	3.382	30	40	FGEB	
O=C(O)c1cccc(-c2ccc(/C=N\n3cnc4ccccc4c3=O)o2)c1	409214055	XIWPLOQFCILRPO-JJFYIABZSA-N	359.341	3.237	30	40	FGEB	
N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1ccc(-c3ccsc3)cc1)C2	225681672	DINJUZBPOVCFQL-UHFFFAOYSA-N	361.426	3.174	30	40	FGEB	
N#CCc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1	225742833	RAZKUDSMWUVEJN-UHFFFAOYSA-N	364.518	3.487	30	40	FGEB	
COc1cccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)c1O	16677830	WNZKBKQWHZIYEZ-BKUYFWCQSA-N	359.857	3.206	30	40	FGEB	
CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(-n3cnc4ccccc43)cc2)C(=O)O1	24574432	UGTQXYKTMMGXEL-MAIVGLDJSA-N	372.380	3.254	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(N)nc(=O)c1[C@@H]2c1ccc(Cl)cc1	16956948	DWINKQZQKSKHSC-CYBMUJFWSA-N	370.840	3.206	30	40	FGEB	
COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1O	1780632	JTOUMXYNJURFNK-KEBDBYFISA-N	354.435	3.475	30	40	FGEB	
CCCCCCCCOC(=O)[C@@H](N)Cc1ccc(OC)c([N+](=O)[O-])c1	104807826	RGJWKBJRRXFXCX-HNNXBMFYSA-N	352.431	3.377	30	40	FGEB	
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C1CC1	12391719	FFMOLPYAJOYTIN-UHFFFAOYSA-N	358.463	3.472	30	40	FGEB	
N#CCCN(/N=C/C=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21	4307357	OLDQDGATPYIXJP-CILZVWTGSA-N	364.430	3.050	30	40	FGEB	
COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OC	6320130	SEYMCBVBOVTBKG-YCRREMRBSA-N	353.418	3.437	30	40	FGEB	
N#Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1	6544148	AQAKWSKAASRWHG-UHFFFAOYSA-N	350.403	3.263	30	40	FGEB	
CCCS/C(=N/c1c(C(=O)NC)ncn1CC(C)=O)Nc1ccccc1	4817753	YKWQOQGVAPOVJI-UHFFFAOYSA-N	373.482	3.075	30	40	FGEB	
CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1	218333026	FZWCZLYJFXVTEJ-BJLQDIEVSA-N	369.442	3.008	30	40	FGEB	
CN(c1cccc(C#N)c1)[C@@H]1CCN(c2nc(C(F)(F)F)ns2)C1	1651192348	CFDXZAOWJFQANK-GFCCVEGCSA-N	353.373	3.144	30	40	FGEB	
C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]2(O)CC(=O)ON=O	1569985907	LUDJHMWFRJTWHL-WRPXMVFYSA-N	361.438	3.474	30	40	FGEB	
COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1OC	5408806	BZQOYDQQXXNBGF-INIZCTEOSA-N	373.792	3.223	30	40	FGEB	
CCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C	53307200	CLUKTPNKSRYTBE-GFCCVEGCSA-N	352.504	3.284	30	40	FGEB	
N#C[C@H](C(=O)Cc1csc(-c2ccco2)n1)C(=O)Nc1ccc(F)cc1	103501890	LMVVZGJJSHRVNI-CQSZACIVSA-N	369.377	3.432	30	40	FGEB	
COc1ccc([C@H](CNCc2ccc(N(C)CCC#N)cc2)N(C)C)cc1	22799105	KRISOHOVDKFLKX-QFIPXVFZSA-N	366.509	3.438	30	40	FGEB	
COCc1cc(C)nc2sc(C(=O)Nc3ccc(C#N)cc3)c(N)c12	809806	BJEAMMYRXAZGPI-UHFFFAOYSA-N	352.419	3.457	30	40	FGEB	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O	6546651	XKWQYVMRAZUOGI-IBGZPJMESA-N	371.343	3.127	30	40	FGEB	
CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	7008412	RBIMAWGXUSGQTB-CAOOACKPSA-N	352.803	3.326	30	40	FGEB	
CN(C)C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1	9072922	DWKKVIWMLYJTSU-UHFFFAOYSA-N	354.431	3.096	30	40	FGEB	
COc1cccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(C)C2=O)c1	101419138	ZCGBZLJGKHITHM-QQMHEVNUSA-N	369.446	3.285	30	40	FGEB	
C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc(C)c(C)c2c1=O	3319225	WSTWOTARTZGUPL-UHFFFAOYSA-N	365.524	3.268	30	40	FGEB	
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1	3363041	RWBKHZAXBAJDFE-UHFFFAOYSA-N	352.847	3.165	30	40	FGEB	
CSc1ncc(C)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1	1888876050	HNQRCMRSRPOCHH-UHFFFAOYSA-N	355.467	3.069	30	40	FGEB	
Cc1ccc(S(=O)(=O)/N=C2/S[C@H](C)C(=O)N2c2ccccc2)cc1	101219143	OJJJDWUSGZVWPQ-OYLHUBKDSA-N	360.460	3.208	30	40	FGEB	
COc1ccccc1[C@H](C(C#N)C#N)[C@H]1C(=O)N(Cc2ccccc2)N=C1C	848873	LUORPJDVYTXPIN-SFTDATJTSA-N	372.428	3.477	30	40	FGEB	
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O	4308629	BRKDIZUTCWLFHI-IBGZPJMESA-N	371.343	3.127	30	40	FGEB	
C=CCN(CCc1ccccc1)C(=O)c1cccc(N2C(=O)CCC2=O)c1	58191761	PGNKJZLSTYKSOX-UHFFFAOYSA-N	362.429	3.211	30	40	FGEB	
C=CC[C@@H]1N(c2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)OCC)[C@H]3C=C[C@@]12O3	2134090	ZXQWXPZHCBDOMJ-QOSLBHJFSA-N	373.836	3.134	30	40	FGEB	biogenic
C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1cccc(C#N)c1	12903539	IPAKOYVAFPGSRT-KRWDZBQOSA-N	362.477	3.271	30	40	FGEB	
C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCCC3	13691985	VWOYVZVUOTULGC-UHFFFAOYSA-N	363.446	3.233	30	40	FGEB	
C=C(C)Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCC3	13693749	KIYDFMKGSAIXSQ-UHFFFAOYSA-N	352.419	3.431	30	40	FGEB	
CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O	5148475	ZAEMBUJSCFOTTE-SXGWCWSVSA-N	354.318	3.271	30	40	FGEB	
COCc1cc(C)nc(SCC(=O)Nc2cc(C)ccc2OC)c1C#N	409183504	UKTCIHSEZHEGLO-UHFFFAOYSA-N	371.462	3.456	30	40	FGEB	
CC(C)Cc1nn2c(/C=N/n3cnnc3)c(-c3ccccc3)nc2s1	41074118	OULFMKIXMMFIJG-AWQFTUOYSA-N	351.439	3.130	30	40	FGEB	
Cc1cccc(/N=C2\NN=C(c3c[nH]c(C(=O)N4CCCC4)c3)CS2)c1	12515726	HULABYFYOIQFCO-UHFFFAOYSA-N	367.478	3.287	30	40	FGEB	
COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)c(OC)c1	11336973	UXWGOQDQOSSOLC-LJQANCHMSA-N	366.417	3.318	30	40	FGEB	
CCOC(=O)/C(C#N)=N/Nc1cccc(C(=O)Nc2ccccc2Cl)c1	2747558	VZNZPODAPDMNFX-XQNSMLJCSA-N	370.796	3.447	30	40	FGEB	
COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)/N=C(/C)O)cc1	3434475	WUGQHHVXHVEQLP-UHFFFAOYSA-N	363.395	3.004	30	40	FGEB	
C#CCN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O	13893831	SYBGWHMIGLTFSS-WQLSENKSSA-N	352.209	3.127	30	40	FGEB	
COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ncnn21	9484306	MPDCINNACSVBEL-BUXKBTBVSA-N	362.389	3.295	30	40	FGEB	
O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)n1nnnc1N2	6885245	BQWUYTFTUJQPBV-FQEVSTJZSA-N	373.416	3.274	30	40	FGEB	
C=CCn1c(SCC(=O)N2CCCCCC2)nc2ccccc2c1=O	6905027	AHVVLAJRBVXXDJ-UHFFFAOYSA-N	357.479	3.077	30	40	FGEB	
C=CCN1C(=O)N(c2cc(OC)cc(OC)c2)S(=O)(=O)c2ccccc21	1889005237	LKAHROYAVIRQIB-UHFFFAOYSA-N	374.418	3.025	30	40	FGEB	
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCO)cc1	6754557	WETMXDRLTFGFCF-LJQANCHMSA-N	365.429	3.381	30	40	FGEB	
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)nc(N)c1[C@H]2c1ccncc1	100930410	IYLLONGAHOTWRB-LBPRGKRZSA-N	353.451	3.317	30	40	FGEB	
C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccnc3)c2C#N)C1	827129	RXFQFDMFRLQRPW-SNVBAGLBSA-N	356.476	3.266	30	40	FGEB	
CCC(=O)C1=C(c2ccc(CC)cc2)N(C(=O)CC)n2c(C)nnc2S1	4518229	SPLXENMRJRSRDB-UHFFFAOYSA-N	370.478	3.477	30	40	FGEB	
CCOC(=O)c1c(/N=C/c2ccc(OC)cc2O)sc2c1CCN(C)C2	2267200	MBXYHDRPBLWXKU-KEBDBYFISA-N	374.462	3.378	30	40	FGEB	
C[C@@H](OC(=O)Cc1c(F)cccc1Cl)C(=O)NC1(C#N)CCCCC1	7107920	GOMDDCYMDOJOTK-GFCCVEGCSA-N	366.820	3.296	30	40	FGEB	
Cc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(Cl)cc4)c(O)nc3c2c1	8772117	MFDVMBFUKDHKLJ-AWQFTUOYSA-N	352.781	3.427	30	40	FGEB	
C=CCc1cc(C(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC	8945956	MGSXWXJJBCOVBC-UHFFFAOYSA-N	355.390	3.091	30	40	FGEB	
C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	224745119	VJSQSGJOPXVMJU-UHFFFAOYSA-N	362.407	3.375	30	40	FGEB	
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1	27392828	CPTLBPNDJKZNHG-UHFFFAOYSA-N	360.417	3.349	30	40	FGEB	
C[C@]12C[C@@H](O)[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1	67665054	RJTDWMKVQUPGSY-SEFIWCLXSA-N	356.462	3.341	30	40	FGEB	in-vitro
COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2OC)c(OC)c1	18024834	GBDTXBWYRXGCTF-JFMUQQRKSA-N	356.422	3.259	30	40	FGEB	
C=CCN(CC=C)C(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O	7023964	NYSCXEWRIOJRBN-UHFFFAOYSA-N	365.458	3.326	30	40	FGEB	
Cc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(Br)cc2)cc1	102801464	OULOWYCPXIMUAZ-DPEHCCBOSA-N	372.218	3.467	30	40	FGEB	
CCN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	103458535	TZIOBCLWJSZNIK-INIZCTEOSA-N	371.437	3.488	30	40	FGEB