smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc([N+](=O)[O-])c1O	58536783	BGMWYMOPZISSFU-WDZFZDKYSA-N	331.328	2.275	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	58951814	YIBXRACDLXXBMD-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
COc1cccc(C(=O)NNC(=O)Nc2ccccc2C)c1OC	58865480	DMKJKDWVYVTMIV-UHFFFAOYSA-N	329.356	2.479	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](OC)c1ccccc1	20248583	IMPFIKYZDPPZOK-GYKGCMEESA-N	343.339	2.441	50	40	EEGB	
Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(N)=O	5678674	FWVFZURLXBSCFK-UHFFFAOYSA-N	325.781	2.162	50	40	EEGB	
C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccccc1	4965541	KAKRRQNDTIJKRA-CPNJWEJPSA-N	344.440	2.063	50	40	EEGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1	7415959	CQNUZEWLPLDSCF-UHFFFAOYSA-N	348.424	2.313	50	40	EEGB	
Cc1ccc(O)c(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)c1	223119	BTVOFQKOMRRDII-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccncc1	100509631	IWHLRVXYIQNBNG-FYJGNVAPSA-N	339.399	2.282	50	40	EEGB	
CCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	4951208	PSWGUKXVGCWRPF-SFQUDFHCSA-N	332.381	2.314	50	40	EEGB	
O=C(NC[C@@H](O)c1ccc(Cl)cc1)NNC(=O)c1cccs1	29327580	JZUXKCPETJZURG-LLVKDONJSA-N	339.804	2.079	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1	12985270	RDKCMKZERICHIB-QGZVFWFLSA-N	340.379	2.239	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21	3659746	QEQAVKRARVQNAA-FXBPSFAMSA-N	337.379	2.179	50	40	EEGB	
Cc1ccc(NC(=S)NNC(=O)CCn2nc(C)cc2C)cc1	5614097	MCTQSYGPHGXPCN-UHFFFAOYSA-N	331.445	2.216	50	40	EEGB	
CO/C([O])=C(/CI)NC(=O)OC(C)(C)C	1560411732	JUKDJQJXKNQDDG-UHFFFAOYSA-N	328.126	2.192	50	40	EEGB	
COc1c(O)ccc(/C=N/NC(=O)c2ccccc2F)c1[N+](=O)[O-]	37752	GEEZSEKLWSHLHV-CAOOACKPSA-N	333.275	2.212	50	40	EEGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1Cl	12428493	IQSRHPBHLZDMNV-SNVBAGLBSA-N	335.150	2.295	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)c(OC)c1	6170228	WBEWPUDCJFAZQG-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
Cc1ccc(CSCCNC(=O)NNC(=O)c2cccnc2)cc1	32802000	IAMMOYJCSSDULA-UHFFFAOYSA-N	344.440	2.267	50	40	EEGB	
CCC1=C(C(=O)OC)[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O1	535305	PNCLBVVAKLFMRH-HNNXBMFYSA-N	344.367	2.349	50	40	EEGB	
CC/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(OC)c(OC)c1	408824858	AQYDTYKRFDKCAM-QGOAFFKASA-N	336.388	2.087	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc(O)cc1	5819007	VMENAWCAOXHQLJ-AWEZNQCLSA-N	331.335	2.395	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1	84041866	SMRVGTXZFZLHFW-WBMJQRKESA-N	343.383	2.404	50	40	EEGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(N)=O	97990451	SJYXTYQFANRQSX-SXGWCWSVSA-N	329.363	2.386	50	40	EEGB	
COC(=O)[C@@H](CNC(=O)[C@@H](C)Br)Cc1ccc(F)cc1	95097980	RXMKLLXAACXGKD-MWLCHTKSSA-N	346.196	2.057	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	5377287	BFEXGAVNGGCWNY-FYJGNVAPSA-N	337.379	2.018	50	40	EEGB	
COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)CC(C)C)C2=O)cc1	103916767	FLMYILVDSKDVDH-ATVHPVEESA-N	344.415	2.359	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	9232157	JUUKLGKSYSHIRV-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
COc1ccc(NC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	408963076	MGUFYRGBEQJUTI-SXGWCWSVSA-N	330.300	2.465	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(O)cc2)cc1	95948013	MCTOFGBMWYLOTF-LFYBBSHMSA-N	326.352	2.265	50	40	EEGB	
CC(C)(C)/C=N/NC(=O)CNC(=O)c1ccccc1Br	3081751	FOTUNBSNESONIB-RQZCQDPDSA-N	340.221	2.327	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)C(=O)O	9324389	XKFSFMAPKQSNOL-VDCVXVNISA-N	328.324	2.008	50	40	EEGB	
CCN(NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(C)cc1	9690263	VARMSRODPWWWIJ-UHFFFAOYSA-N	326.400	2.335	50	40	EEGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1	408995144	ABPJLSBQIUDKJO-UDWIEESQSA-N	341.436	2.483	50	40	EEGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(OC)ccc2O)cc1	408711687	FXFAYFQCOZAVIV-UNOMPAQXSA-N	328.368	2.492	50	40	EEGB	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	408735932	ZMWSJXJOEICDEO-AAGJOFLKSA-N	328.368	2.065	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OC	580514	AZNYZWOCEBBNFU-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)c1	36020558	SEWNMTFFJIOXLA-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c1	13943914	SMFSPNGMFABFIZ-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
COc1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)c(OC)c1	408730900	VOBFSCAULJVBMS-UHFFFAOYSA-N	344.396	2.292	50	40	EEGB	
O=C(NNC(=O)c1cc(Cl)ccc1F)c1ccc2c(c1)OCO2	7957581	GMOCRFSFTYPTIE-UHFFFAOYSA-N	336.706	2.283	50	40	EEGB	
C[C@H](/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1	13601580	LOHFVFZLWGEYLU-ONDHQXCVSA-N	334.383	2.246	50	40	EEGB	
N#C/C(=C\c1cn(CC(=O)NC2CC2)c2ccccc12)C(=O)NC1CC1	6644397	VZZSJVSKXIUHCH-UKTHLTGXSA-N	348.406	2.105	50	40	EEGB	
O=C(NNc1cccnc1Cl)c1cn(-c2ccc(F)cc2)nn1	85682188	HUIMYQMCFHCYQV-UHFFFAOYSA-N	332.726	2.212	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(C#N)cc1	2626961	OSDZCLALRIMSBT-UHFFFAOYSA-N	329.743	2.295	50	40	EEGB	
O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)[C@H]1COc2ccccc2O1	102412305	OJWCMQIGPMDWHA-CQSZACIVSA-N	341.298	2.088	50	40	EEGB	
NC1=NC(c2ccccc2)=N[C@]1(CCl)NC(=O)c1ccccc1	27562678	VUTZNJUGJAWKIP-QGZVFWFLSA-N	326.787	2.169	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1	36020545	ZVSWLYNYJZJURK-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
CC(C)(C)c1[nH]nc2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	4149791	CXGBFCSVNUDELH-SFHVURJKSA-N	335.367	2.032	50	40	EEGB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	28200929	SWXCKMJAHDJFCF-VXGBXAGGSA-N	325.368	2.076	50	40	EEGB	
CO[C@H](C(=O)N/N=C/c1cccc2c1OCCO2)c1ccccc1	58915874	CIRMWHZWVNGOPZ-DAQNXSASSA-N	326.352	2.296	50	40	EEGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cccc(I)c2)C1	217709876	UWJOGCPVPQPSIA-SSDOTTSWSA-N	349.555	2.410	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccc(F)cc2)cc1	5725221	RGBVBWMBLOKZQK-RGVLZGJSSA-N	329.331	2.313	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1	14921585	IVWIJLLTGBOVAB-CIAFOILYSA-N	343.358	2.105	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1	36020544	RXLAHXNVXAKXFD-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21	5909347	MJPGOFVDZMREMH-UZYVYHOESA-N	337.379	2.261	50	40	EEGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1	408762559	PGAGIFHVEPTSJW-GXDHUFHOSA-N	342.376	2.155	50	40	EEGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(N)=O)cc1	408759856	MYEQYXQXBXRRCA-GXDHUFHOSA-N	342.376	2.155	50	40	EEGB	
COc1ccc(NCC(=O)NNC(=S)Nc2ccccc2)cc1	13998507	UAEMKLGYHFWEEY-UHFFFAOYSA-N	330.413	2.125	50	40	EEGB	
BrC[C@@H]1CN[C@@](Br)(N2CCCC2)S1	19318698	AAPPGZFVOPDKSC-SFYZADRCSA-N	330.089	2.188	50	40	EEGB	
COc1ccc(/C(C[C@@H]2OC(=O)c3ccccc32)=N/NC(N)=O)cc1	387527	BTEQIWOOAIBYES-WLVMFVESSA-N	339.351	2.369	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1	102201679	UJLRESGGFWSNPI-VGWMRTNUSA-N	342.395	2.094	50	40	EEGB	
C=CCNC(=S)NNC(=O)CSc1nc2ccccc2s1	2180858	QFIPMRPDTSNUAU-UHFFFAOYSA-N	338.483	2.070	50	40	EEGB	
O=C(N/N=C\c1ccncc1)C(O)(c1ccccc1)c1ccccc1	33286553	BNWRISGOIDZJCJ-JCMHNJIXSA-N	331.375	2.468	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1	59516017	SFLLLOKQRNWSDN-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
O=C(NNC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccs1	12542655	MYXUDJAGWWIGEI-UHFFFAOYSA-N	348.403	2.064	50	40	EEGB	
O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc2c(c1)OCCO2	89780800	PSDXRHBPDVHIBQ-WOJGMQOQSA-N	341.323	2.059	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@H]3C[C@H](C[C@@H]2[C@H]2C(=O)OC(=O)[C@@H]12)C3(C)C	254759177	LWJRFRGYHFWQLY-RFIROVKRSA-N	345.439	2.409	50	40	EEGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC(=O)CCl)cc1F	153139	YOYDVBVQEJTTFB-CMDGGOBGSA-N	326.711	2.352	50	40	EEGB	
O=C(CCCl)Nc1nnc(SCC(=O)NC2CCCC2)s1	4902815	ZQZXGAHQHQCODQ-UHFFFAOYSA-N	348.881	2.256	50	40	EEGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl	59433849	WBGLXACOCJNURG-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
Cc1nnc(NNC(=O)CCc2ccc(Cl)cc2Cl)nc1O	47432049	OZZZQITYWNAKJN-UHFFFAOYSA-N	342.186	2.268	50	40	EEGB	
COC(=O)N1C[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21	101042892	UOXRQXOWNBYVAE-FKSUSPILSA-N	327.016	2.374	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@@H]2C1	4457541	HMHOHNATOAWTIG-MSOLQXFVSA-N	344.422	2.217	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)cc(OC)c1OC	33284656	JRDXNRXLXOQSPI-UNOMPAQXSA-N	328.368	2.405	50	40	EEGB	
N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@H]1c1ccc(F)cc1	5570074	AZOYFUPKEYJCAL-KWBADKCTSA-N	326.253	2.097	50	40	EEGB	
COc1ccc(OC)c(NC(=O)C(=O)NN=C2CCCCCC2)c1	13923487	KBDFEIWWMKLQJA-UHFFFAOYSA-N	333.388	2.469	50	40	EEGB	
CCc1noc(C)c1C(=O)NNC(=O)COc1cc(C)ccc1C	14843398	CJECFRKARJCDKJ-UHFFFAOYSA-N	331.372	2.002	50	40	EEGB	
Cc1n[nH]c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	340084	UMRRWWXQAVEPQF-LBPRGKRZSA-N	331.719	2.498	50	40	EEGB	
C/C(NCCNc1ncc(C(F)(F)F)cc1Cl)=C(\C#N)C(N)=O	100095599	KPMFKXSXNWKQSK-CLFYSBASSA-N	347.728	2.038	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)c2sc(N)nc2C)cc1OC	31854419	YVMRBPXWRAZZNA-IUXPMGMMSA-N	334.401	2.205	50	40	EEGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)c1ccccc1	1827171	UCLPAAUNNBXGNN-JWFJGEDGSA-N	325.324	2.444	50	40	EEGB	
CCOC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1cccc(OC)c1	6783735	QVJKHWRFMXOSCG-XMHGGMMESA-N	348.399	2.349	50	40	EEGB	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc2c(c1)OCO2	5701643	HVBMEWPBCCWDIE-UHFFFAOYSA-N	349.346	2.281	50	40	EEGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(N)=S	33666062	QPEZBVGDINWPFB-FPYGCLRLSA-N	341.186	2.106	50	40	EEGB	
Cn1cccc1/C=N/NC(=O)COc1ccccc1Br	137836	ICRDFFIFKFBNEW-CXUHLZMHSA-N	336.189	2.317	50	40	EEGB	
COCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	4189184	VJCGFNRVDSACMR-CYBMUJFWSA-N	334.759	2.221	50	40	EEGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2cccc(O)c2)c(C)c1C#N	107895947	BHXKGRCVTOFZPS-QGMBQPNBSA-N	342.380	2.356	50	40	EEGB	
CN(CCOc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1	40498168	YIMZWNXOOWOJGN-UHFFFAOYSA-N	331.347	2.191	50	40	EEGB	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2	377561	XCGVQIXLXRCIAR-LLVKDONJSA-N	330.384	2.267	50	40	EEGB	
Cc1nccn1CC(=O)N/N=C/c1cc(Br)cs1	553277	CBOJSPIKOFRSSC-LHHJGKSTSA-N	327.207	2.166	50	40	EEGB	
CN(C)c1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c1	409070260	FCPNEUIGDRZYPQ-LICLKQGHSA-N	328.328	2.130	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NC1CCCCCC1	15227564	WLNVKBRTUJNYFL-CPNJWEJPSA-N	331.416	2.374	50	40	EEGB	
COc1ccc(/C=C(\C#N)c2nc(N)c(C#N)c(N)c2C#N)cc1OC	19929633	XWGCOLPTOQNKCH-VZUCSPMQSA-N	346.350	2.071	50	40	EEGB	
O=C1NC2(CCCCC2)C(=O)N1CCN(CCCl)CCCl	28761602	QNKJFXARIMSDBR-UHFFFAOYSA-N	336.263	2.021	50	40	EEGB	in-man
O=C(CCC(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2)N/N=C1\C[C@@H]2CC[C@@H]1C2	102248409	OQRHGVOIXFORFS-VFKIRPMHSA-N	330.432	2.351	50	40	EEGB	
O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2620073	MLBUQEAHBCVVDN-UHFFFAOYSA-N	349.343	2.287	50	40	EEGB	
CCOc1cc(I)cc(/C=C(\C#N)C(N)=O)c1	408880752	HEBCVAHEDPEBRU-YCRREMRBSA-N	342.136	2.082	50	40	EEGB	
COC(=O)NNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F	48339406	RNYYQWOEYHWNTE-UHFFFAOYSA-N	341.217	2.282	50	40	EEGB	
CC(C)(CCl)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1	5339213	NSSQSEKWRNWLAW-UHFFFAOYSA-N	330.837	2.430	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC#N	6407757	MBAMQSVJDUKBCD-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccccc3)c2O1	2619202	JTFLGAODYYGAKI-UHFFFAOYSA-N	340.379	2.240	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1OC	8733051	LAZPDNHPNITYDA-JTQLQIEISA-N	343.221	2.314	50	40	EEGB	
N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1	13764197	CKCOWOWSPHMETP-LSDHHAIUSA-O	326.376	2.233	50	40	EEGB	
NNC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1	5601764	YHZCNWRLEUXYQV-UHFFFAOYSA-N	334.173	2.305	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	5539086	IEBSCIMHBQZUQK-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1	59515396	AGJQBUXZCOWQNS-CPNJWEJPSA-N	329.400	2.150	50	40	EEGB	
Cc1ccc(Cc2nnc(NNC(=O)C3CCCCC3)nc2O)cc1	22853958	CLZXOLWYYSJDSD-UHFFFAOYSA-N	341.415	2.500	50	40	EEGB	
COc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1OC	4673059	CKZSSGHFQPNQRW-YBFXNURJSA-N	344.367	2.198	50	40	EEGB	
COc1cc(Br)cc(/C=C(\C#N)[C@H](N)C(C#N)C#N)c1O	16194928	PBRLBAOPRFXZNW-GNHXZDARSA-N	347.172	2.061	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)Cc2cccc(OC)c2)cc1	408587339	UBFZUJBYBFCABW-UHFFFAOYSA-N	345.424	2.264	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(C)cc1	5375396	NQRMJIFBFLBJDE-KRWDZBQOSA-N	342.351	2.116	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)c(OC)c1	409207515	VSOAPCMUZFPICQ-KEBDBYFISA-N	339.395	2.170	50	40	EEGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCc2ccco2)cc1	8778442	GRLMYADCCQYGPF-ZDUSSCGKSA-N	346.383	2.226	50	40	EEGB	
COC(=O)[C@H](CNC(=O)[C@@H](C)Br)Cc1ccc(F)cc1	95097982	RXMKLLXAACXGKD-KOLCDFICSA-N	346.196	2.057	50	40	EEGB	
C=CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21	573582	MKBJFGUVGMTSQV-XDHOZWIPSA-N	327.384	2.431	50	40	EEGB	
CCc1ccc(NC(=O)C(=O)NNC(=O)/C=C/c2ccccc2)cc1	5341621	CUTNFIMQTNDDAI-JLHYYAGUSA-N	337.379	2.048	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12	104808132	SMONEDUOAKEOPS-VURMDHGXSA-N	342.211	2.454	50	40	EEGB	
COc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)c2ccccc12	55586802	MEWGBTKUVDPWNT-UHFFFAOYSA-N	348.424	2.348	50	40	EEGB	
O=C(Cc1ccc2c(c1)CCC2)NNc1nc(-c2ccncc2)no1	76453765	LBELGPWCVLYBAO-UHFFFAOYSA-N	335.367	2.306	50	40	EEGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(N)cc1	372981	QJFUMPVPKRXGPJ-VXLYETTFSA-N	329.356	2.059	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1	1800469	PSOGBICTAAQSBC-UHFFFAOYSA-N	342.395	2.217	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1	84041878	SMRVGTXZFZLHFW-MLGOLLRUSA-N	343.383	2.404	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(Br)cs1	252491798	LTLGQFGZLQCDIR-LNKIKWGQSA-N	345.197	2.456	50	40	EEGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCC1	1463438	WXVDPMRFPPAJLO-QINSGFPZSA-N	328.372	2.104	50	40	EEGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CC2)c(OC)c1	2889828	FXVHOYJIRFJEAS-NTEUORMPSA-N	326.352	2.220	50	40	EEGB	
CCCCCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OC	62714479	JPNCVKXYAYHKHT-VQHVLOKHSA-N	337.445	2.142	50	40	EEGB	
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N/N=C/c1ccncc1	38536820	ZTMHXXTWZRGYJA-XYHOIZSOSA-N	342.374	2.125	50	40	EEGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	4694092	NNIUJQIHRQRTHQ-YCPFAOKUSA-N	341.323	2.275	50	40	EEGB	
CC(C)(CC(=O)O)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	16481015	AOCYFVOIHPLLNR-UHFFFAOYSA-N	336.432	2.241	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C	3072751	ANSCFUXYJURLIJ-DJKKODMXSA-N	339.351	2.121	50	40	EEGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	487136	UEGXNYHBAMOIAF-QGMBQPNBSA-N	332.291	2.002	50	40	EEGB	
O=C(N/N=C/c1ccc(I)o1)c1ccccn1	27842	CYGWUTSHODAZFD-VGOFMYFVSA-N	341.108	2.043	50	40	EEGB	
C[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1	35413617	KRHZFJZRTCOXMA-ZDUSSCGKSA-N	341.386	2.034	50	40	EEGB	
CCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	6324059	NAPGORYOXCHJBK-ZDUSSCGKSA-N	347.415	2.424	50	40	EEGB	
COc1ccc2cc(C(=O)NNC(=O)c3ccccn3)c(C)nc2c1	8327157	KKDPVFIMOCYEKZ-UHFFFAOYSA-N	336.351	2.022	50	40	EEGB	
Cc1nccn1CC(=O)N/N=C\c1cc(Br)cs1	13109008	CBOJSPIKOFRSSC-RZNTYIFUSA-N	327.207	2.166	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cccc(OC)c1	14134352	OMGBGLUPYWZIKD-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
Cc1cc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)ccc1Cl	16282295	JAQLCPRHCKMOSF-UHFFFAOYSA-N	342.786	2.224	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCCO2	12747037	WNVPNLXRLQIPIH-UHFFFAOYSA-N	344.392	2.083	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1C	16482303	HUDDUJRPDDJTDY-GHMZBOCLSA-N	336.413	2.047	50	40	EEGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2c1	421464	BYDNOFUHQFBGBR-OAHLLOKOSA-N	333.351	2.086	50	40	EEGB	
Cc1cc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)c2ccccc2n1	26224179	JGFDNFOBOQIVNK-QGZVFWFLSA-N	334.379	2.004	50	40	EEGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1ccc(O)cc1)OCO2	409098901	RHCHLPUXAFMRMS-NVMNQCDNSA-N	328.324	2.284	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1[N+](=O)[O-]	409207195	QHIIIATXVWLRDP-HIPSJFSSSA-N	338.323	2.361	50	40	EEGB	
O=C1Nc2cc3c(cc2/C1=N/NC(=O)C1CCCCC1)OCCCO3	13097083	JYAPPDAWIMASJC-UHFFFAOYSA-N	343.383	2.201	50	40	EEGB	
Cc1cccc(OCC(=O)N[C@H](C)C(=O)N/N=C/c2cccs2)c1	13896800	POOADAOAOOAWBN-HVOBPNNYSA-N	345.424	2.090	50	40	EEGB	
COc1cccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c1	409068004	FHEKUQGZNCGKSY-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccncc1	20086635	VAVGZYFBRIMTER-AWEZNQCLSA-N	329.315	2.223	50	40	EEGB	
COC[C@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/S(C)(=O)=O)c1C	48479626	ARHNUZDSTHGERM-NGPAHMQLSA-N	339.417	2.135	50	40	EEGB	
CCOc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	14234822	PDCJBZQCAJJEQM-GFCCVEGCSA-N	346.358	2.453	50	40	EEGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(N)cc2)cc1	5634361	DHULZQVGNQTRFZ-NHDPSOOVSA-N	335.367	2.431	50	40	EEGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)cc(OC)c1O	60521	IXGHSABVOSLUSU-VXLYETTFSA-N	344.367	2.247	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2cncn2-c2ccc(F)cc2)n1	11261623	WBUWUNUUNZYQME-UHFFFAOYSA-N	326.335	2.175	50	40	EEGB	
O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(N2CCOCC2)s1	8523442	RJFHVBBFIFJCFA-XDHOZWIPSA-N	347.415	2.417	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2ccc(OC)cc2)cc1	59449422	BBLIXFNQSAEVHM-UHFFFAOYSA-N	331.397	2.335	50	40	EEGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(Br)o1	18106994	XVYPDQMIWVMNSD-UHFFFAOYSA-N	334.129	2.128	50	40	EEGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1	5381706	XZAADFVFTKZGCZ-CXUHLZMHSA-N	329.272	2.052	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)nc(C)n1	96013883	ILVQNOOIIFJNIM-UHFFFAOYSA-N	326.400	2.466	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(O)cc1	409127026	GLJRSRPUABBLBP-UDWIEESQSA-N	343.358	2.132	50	40	EEGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc([N+](=O)[O-])cc1	33670335	DOULDNXHQMMZBQ-YBEGLDIGSA-N	328.284	2.196	50	40	EEGB	
N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc(Br)c2)[C@H]1C#N	66087971	YEJLFYACSRJDBU-UMVBOHGHSA-N	338.168	2.456	50	40	EEGB	
O=C(N/N=C/c1cccc(Br)c1)c1n[nH]c2c1CCC2	5296147	MFXTVHQFCPLRQJ-LZYBPNLTSA-N	333.189	2.425	50	40	EEGB	
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1	20268516	DBZUEOKXKKAWBY-UHFFFAOYSA-N	337.670	2.394	50	40	EEGB	in-vitro
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1OC	233804	PRPDPNVJMIEGEP-VCHYOVAHSA-N	344.323	2.310	50	40	EEGB	
CC1(CC(=O)N/N=C/c2ccccc2Br)OCCO1	566094	WFUUSGNCHGQHDO-OQLLNIDSSA-N	327.178	2.052	50	40	EEGB	
NC(=O)[C@@H](NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	26223344	WRTVDAPEHFTMEA-INIZCTEOSA-N	343.452	2.478	50	40	EEGB	
COc1cc(/C=C/C(=O)NNc2nc(C)cc(C)n2)cc(OC)c1	71185462	NYZFLPDJAPWURB-AATRIKPKSA-N	328.372	2.267	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)COc1ccccc1	408527238	LLCBFFUOBGHYKY-DEDYPNTBSA-N	338.363	2.236	50	40	EEGB	
CC(C)(CC(=O)NN)CC(=O)Nc1cccc(Br)c1	199421497	BZMPWBDDXBWGSR-UHFFFAOYSA-N	328.210	2.184	50	40	EEGB	
COc1ccc([C@@H](C#N)NNC(=O)Cc2ccccc2)cc1OC	6411712	DDTMPEKDWLRKHB-OAHLLOKOSA-N	325.368	2.132	50	40	EEGB	
O=S1(=O)[C@H]2CC[C@@H]1CC[C@@H](Br)[C@H]2Br	104282364	RFFHTJJMSBLMPU-FKSUSPILSA-N	332.057	2.253	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2C)[C@H](C(=O)O)C1	2797164	FLRVZCCVABWZMU-HUUCEWRRSA-N	330.384	2.203	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(C)c1	2096107	YTCMWZUXIOZLCU-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
C/C(=N/NC(=O)COc1ccccc1O)c1ccc([N+](=O)[O-])cc1	34902835	QSLJLIHSMUUFNS-BOPFTXTBSA-N	329.312	2.220	50	40	EEGB	
CCc1ccc2c(c1)/C(=N/NC(=O)C(C)C)C(=O)N2C1CSC1	223726061	ZASPDKIIUGULTI-SDXDJHTJSA-N	331.441	2.187	50	40	EEGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1	45958131	GFBYBZPLZPJIBA-SNVBAGLBSA-N	343.210	2.295	50	40	EEGB	
Cc1n[nH]c2c1[C@@H](c1cc3cccc(C)c3[nH]c1=O)C(C#N)=C(N)O2	421461	NOTLWDULSRPFES-AWEZNQCLSA-N	333.351	2.086	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccccc21	101658217	JDROPWFWHDNUDP-QNGOZBTKSA-N	339.399	2.208	50	40	EEGB	
CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3ccc([N+](=O)[O-])cc3[C@H]12	103604502	VYCRXGLXYJBRMH-OAHLLOKOSA-N	344.323	2.312	50	40	EEGB	
C[C@@H](OCC(F)(F)F)C(=O)N/N=c1\sc2ccccc2n1C	31728956	OQFFUZPJAKOUMW-RMKINNOESA-N	333.335	2.139	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc2c1OCO2	409238826	LKVVRIUWCNHZLP-OCKHKDLRSA-N	330.315	2.256	50	40	EEGB	
COC(=O)[C@@H](CNC(=O)[C@H](C)Br)Cc1ccc(F)cc1	95097979	RXMKLLXAACXGKD-GXSJLCMTSA-N	346.196	2.057	50	40	EEGB	
COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OC)c1C	19848764	QVQAXVRLNVUSRU-UHFFFAOYSA-N	328.397	2.230	50	40	EEGB	
O=P(O[C@H]1C=CS(=O)(=O)C1)(c1ccccc1)c1ccccc1	100935461	ZLUCOUMJPLRWBI-AWEZNQCLSA-N	334.333	2.243	50	40	EEGB	
COc1ccc(-c2nc(CNC(=O)/C(C#N)=C\c3ccco3)n[nH]2)cc1	69895568	AAXWBSXRDFKHGW-LCYFTJDESA-N	349.350	2.297	50	40	EEGB	
Cc1cccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)c1	20060284	LTRXVNAEMCGDPM-UHFFFAOYSA-N	337.445	2.197	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc([N+](=O)[O-])cc1	409366293	TYJGSXQDUIMLPT-WQRHYEAKSA-N	341.323	2.059	50	40	EEGB	
O=C(CNC(=O)OCc1ccccc1)N/N=C/c1ccc(F)cc1	6646030	HRUCALYVVUFMAI-KEBDBYFISA-N	329.331	2.202	50	40	EEGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(-n2cnnn2)cc1	6785946	DPBHJPLSHAYIML-RQZCQDPDSA-N	326.747	2.080	50	40	EEGB	
Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C(F)(F)F)n1	253398276	GVFJTSLOBATLIG-NSHDSACASA-N	338.289	2.254	50	40	EEGB	
CC(C)(C)OC(=O)NCCC(=O)N/N=C/C1=Cc2ccccc2OC1	2445574	WTCMAUURESNYPT-RGVLZGJSSA-N	345.399	2.479	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1O	5915589	OYPZCHQMHHEPEE-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C(CN1CSCC1=O)NN(c1ccccc1)c1ccccc1	40160367	NALMDRJYFSSFOZ-UHFFFAOYSA-N	327.409	2.389	50	40	EEGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(=O)[nH]n1	3287288	BVDSFUIBVSEGJZ-UHFFFAOYSA-N	333.562	2.487	50	40	EEGB	
CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2	4690838	MKUVNBZQZKYCNT-XDHOZWIPSA-N	333.388	2.469	50	40	EEGB	
C/C(=N\NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)C(C)(C)C	408906570	HPOBNLODAPOGPW-CDWYDPPVSA-N	339.461	2.379	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1	33774781	LUDVRJJHCPZYJH-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(CBr)NC[C@H](O[C@H]1CCOC1)c1cccc(F)c1	95097937	BLLICQOUBQBWPS-STQMWFEESA-N	346.196	2.183	50	40	EEGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1cc(Cl)cc(Cl)c1	13923113	KVZTUKNATHHLOG-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc([N+](=O)[O-])c[nH]1	36649118	WZCONWWTYYWYSG-CYBMUJFWSA-N	328.328	2.374	50	40	EEGB	
C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)c1cccs1	4696841	GNFXCDMTRHENBV-RNCGYYIHSA-N	327.409	2.118	50	40	EEGB	
O=C(CN1CCc2ccccc21)NNC(=O)c1ccccc1Cl	12536838	XROXYPVXZPXHLA-UHFFFAOYSA-N	329.787	2.164	50	40	EEGB	
CC(C)=NNC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O	101581534	AAJQOSAVIOIRJA-BETUJISGSA-N	325.368	2.268	50	40	EEGB	
N#C/C(=C\c1ccc(SCCO)c([N+](=O)[O-])c1)C(=O)N1CCCC1	409372384	LEUXONLKFOIZLL-UKTHLTGXSA-N	347.396	2.209	50	40	EEGB	
CCc1c(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)csc1C	2765078	ZJXPRCJMWZNCSR-NWDGAFQWSA-N	336.413	2.047	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1	2132131	YSFXRPIZRADBJT-UHFFFAOYSA-N	325.368	2.175	50	40	EEGB	
COc1cc2c(cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)OCO2	409053702	ONJJOGZIUVGHGN-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(N2CCOCC2)cc1	36223944	SRNKSXYHDOXSNL-STZFKDTASA-N	341.386	2.355	50	40	EEGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3)CC2=O)cc1	32223720	BCPXIQIKABZBEA-DKNZLLBESA-N	337.379	2.198	50	40	EEGB	
CCc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1	575420528	BOJPERBUFOTHEV-DTWKUNHWSA-N	338.907	2.001	50	40	EEGB	
CCCn1ccc2cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)ccc21	95985761	FZBJSAJTQLXTHQ-UHFFFAOYSA-N	344.415	2.183	50	40	EEGB	
C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(O)cc1	409144488	LJGADDDTCQWQCU-YBFXNURJSA-N	327.340	2.073	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc2nccnc12	32608370	PWSCFXKWKHWOSD-RGVLZGJSSA-N	335.323	2.231	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1OC	5926132	WRNVDYHIMWZOQE-WOJGMQOQSA-N	330.388	2.058	50	40	EEGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CCCO1	9995940	YTPVVFOGMZPZBF-GFCCVEGCSA-N	331.397	2.059	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1	3008777	RBYZKKABUSMOQH-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
CCCCOc1ccc(C(=O)NNc2ncnc3c2cnn3C)cc1	20661897	OUBWPSYQRMUPRS-UHFFFAOYSA-N	340.387	2.299	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1Cl	59515456	GGDVIQKPVQTXNE-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
N#C/C=C/c1ccc(NCC(=O)NCc2ccco2)c([N+](=O)[O-])c1	69777625	UMRHWQXZAORSMR-HNQUOIGGSA-N	326.312	2.453	50	40	EEGB	
Cc1cccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	4578328	FXRDWRSXBCHFGL-UHFFFAOYSA-N	346.299	2.334	50	40	EEGB	
COc1cc(/C=C(\C#N)[C@@H](N)C(C#N)C#N)cc(Br)c1O	17072204	PDEIKDRQQZSUDI-IJIUKMTFSA-N	347.172	2.061	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2ccccc21	102377380	DHAXQIJJUUCSLV-PYCFMQQDSA-N	336.395	2.294	50	40	EEGB	
CCCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2	9015281	OYQCFJSDJOVVNY-UHFFFAOYSA-N	330.388	2.003	50	40	EEGB	
C[C@]1(O)NC(S)=C(C#N)[C@H](c2ccccc2F)[C@H]1[n+]1ccccc1	35183025	WBJTXQNBEHTLGZ-LZLYRXPVSA-O	342.419	2.415	50	40	EEGB	
O=C(CCC(=O)OCCc1ccccc1)NNC(=O)c1cccs1	12137750	ODKLMZGIHWZYBH-UHFFFAOYSA-N	346.408	2.075	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)Cc1ccccc1	120339	ZYVQVQVTWXWIDA-UHFFFAOYSA-N	340.408	2.045	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1O	7813072	XEVZRGQYNBQGIV-YBFXNURJSA-N	341.367	2.188	50	40	EEGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)cc1	346303	MVQGXODLAAYXJX-UHFFFAOYSA-N	346.364	2.065	50	40	EEGB	
Cn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21	100534723	FDJDXYKOPOCJKM-KEBDBYFISA-N	339.326	2.147	50	40	EEGB	
NNC(=O)c1nc(-c2ccccc2)c(-c2c[nH]c3ccccc23)nc1N	1424412	FSYGUYVFXAEFKY-UHFFFAOYSA-N	344.378	2.478	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1cc(Cl)ccc12	4646500	QLEVHEDHICSWJA-KRWDZBQOSA-N	341.754	2.261	50	40	EEGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)O)cc1	31719636	DPDWKEINHZZUHO-WQRHYEAKSA-N	344.392	2.186	50	40	EEGB	
COc1ccc(CCC(=O)NNC(=O)C(C)C)cc1Br	32673770	OOBOYAXRCVVSKA-UHFFFAOYSA-N	343.221	2.194	50	40	EEGB	
CC(C)n1c(S)nnc1CCNC(=O)/C(C#N)=C\c1ccccc1	584908695	GERNGPYCNZSJTP-UVTDQMKNSA-N	341.440	2.414	50	40	EEGB	
C[C@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccco2)C(=O)N1c1ccccc1	98052793	RDSCIAYTGWBRRV-ONCXBACZSA-N	335.363	2.497	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccncc1	20086049	HNDCYWWYBCRDJR-HNNXBMFYSA-N	330.347	2.152	50	40	EEGB	
CC[C@@]1(CCBr)C(=O)N=C(Nc2ccccc2)NC1=O	2035548	OLLXJLQSENWVFD-UHFFFAOYSA-N	338.205	2.292	50	40	EEGB	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)CNc1ccccc1F	7785453	KDWIOAXXDVQVSE-AAEUAGOBSA-N	338.452	2.312	50	40	EEGB	
CN(CCCNC(=O)NNC(=O)c1cccs1)C1CCCCC1	32779670	WQSZSSGKGZWBAM-UHFFFAOYSA-N	338.477	2.347	50	40	EEGB	
O=C(NN[C@H]1OC(=O)c2c#cccc21)c1cccc(Br)c1	102813337	WHADYWPSUZOMRF-AWEZNQCLSA-N	345.152	2.153	50	40	EEGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)c1nn(CCO)c(N)c1C#N	107818908	CWBHFKWQXKNPDL-XYOKQWHBSA-N	332.367	2.183	50	40	EEGB	
CN1C(=C(C#N)C(=O)CCC(=O)NCC2CC2)N(C)c2ccccc21	47624215	ZJEWZTCPNHWFFU-UHFFFAOYSA-N	338.411	2.183	50	40	EEGB	
BrC[C@]12[C@@H]3[C@@H]4[C@H]5[C@@H]1[C@@H]5[C@](Br)([C@H]32)C41OCCO1	100717033	NWTOYPBJWGMJPX-YTLJUCFPSA-N	348.034	2.010	50	40	EEGB	
Cc1noc(C)c1CC(=O)NNC(=O)c1oc2ccccc2c1C	9365556	CONBDGBUAPQTOC-UHFFFAOYSA-N	327.340	2.350	50	40	EEGB	
CCC(=O)O[C@@]1(/C=C/C#N)CCN(C(=O)OC(C)(C)C)CCC1=O	953066255	ZERJDLXKAWXSQQ-JKNJVXJCSA-N	336.388	2.358	50	40	EEGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc([N+](=O)[O-])cc1	447613	OYRXFUPSXOAKQA-VCHYOVAHSA-N	325.328	2.366	50	40	EEGB	
Cn1cccc1/C=N/NC(=O)COc1ccc(Br)cc1	409103972	HYSGNBLDULGPKL-CXUHLZMHSA-N	336.189	2.317	50	40	EEGB	
CSS(=O)(=O)c1ccc(N/C=C2\SC(=S)NC2=O)cc1	584906234	INVNACBRCMHHBP-TWGQIWQCSA-N	346.480	2.140	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	13302996	IVJBRTMGUFABFH-YVLHZVERSA-N	329.312	2.376	50	40	EEGB	
CCOC(=O)c1cc(C)oc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	3094704	UBGABOYYLLKUCW-RQZCQDPDSA-N	345.311	2.437	50	40	EEGB	
C[C@@]1(C(=O)N/N=C/c2ccccc2F)Oc2ccccc2NC1=O	4089639	PESHSTWVLNRZOC-OXNWSPOFSA-N	327.315	2.066	50	40	EEGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)cc1	409222421	CUCYSDOVZREFKC-DHDCSXOGSA-N	335.363	2.405	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1	409253643	GEPNJKZNSIUOAP-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	32119705	MCJGXWJLAODNDD-HNNXBMFYSA-N	332.331	2.097	50	40	EEGB	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccccc1F	3572443	KDFXLDBBAODFOC-DJKKODMXSA-N	331.303	2.056	50	40	EEGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cccs1	6369120	ZRDWFRWJSDUOCY-XDJHFCHBSA-N	342.468	2.411	50	40	EEGB	
O=C(CCCc1nc2ccccc2s1)NNC(=O)c1cccnc1	27634504	QCILMZRDEQCQCG-UHFFFAOYSA-N	340.408	2.475	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1	20086057	ICOAFKMWBMEKMH-INIZCTEOSA-N	345.358	2.462	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	491625	MYVXWRJENGXOTG-UHFFFAOYSA-N	343.339	2.052	50	40	EEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1c(O)ccc2ccccc12	3081057	UIBHIDTXVSPHPN-KEBDBYFISA-N	337.335	2.019	50	40	EEGB	
CN(CC[N+]1(C)CCCC1)P(=O)(N1CCCC1)N1CCCC1	104209032	RKMJMQMIPXPOIH-UHFFFAOYSA-N	329.449	2.458	50	40	EEGB	
CC(=O)NNC(=O)[C@H](C)N1CCC(CCc2ccc(C)cc2)CC1	96004050	TVLWEIXUWSZABY-HNNXBMFYSA-N	331.460	2.195	50	40	EEGB	
N#CC1=CCN(S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1	95468710	BJSWUKVZNDJODX-UHFFFAOYSA-N	332.212	2.420	50	40	EEGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccccc1[N+](=O)[O-]	216959565	DQUBPSJPZFHMMG-UHFFFAOYSA-N	338.323	2.150	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1OCC	3084033	QLWHDUZOQWFDOB-XDHOZWIPSA-N	349.431	2.239	50	40	EEGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	9096148	AZTKVTYXXONLGD-LHYBKOHLSA-N	330.384	2.426	50	40	EEGB	
O=C(Cc1noc2ccccc12)NNC(=O)c1ccc2ccccc2n1	27688096	GVEXNWISDOWVIN-UHFFFAOYSA-N	346.346	2.380	50	40	EEGB	
C[C@]1(C(=O)N/N=C/c2ccccc2F)Oc2ccccc2NC1=O	4089642	PESHSTWVLNRZOC-AEUYPJEVSA-N	327.315	2.066	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1	409044375	BQRKBOGUGYXEGD-YBFXNURJSA-N	325.368	2.174	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1	5880577	FJYAMTVZISGFCK-XSFVSMFZSA-N	339.395	2.296	50	40	EEGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(-n2cnnn2)c1	5494681	WMUXMEHSLYIQMN-YBFXNURJSA-N	340.774	2.470	50	40	EEGB	
O=C([C@@H](Br)CBr)n1c(=O)oc2ccccc21	3015532	OMQJQWLPOPZWTI-LURJTMIESA-N	348.978	2.393	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	3126759	YNTXYGNUCPDXHA-HUUCEWRRSA-N	325.324	2.160	50	40	EEGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1cc(O)cc(O)c1	17067432	GIQCKHSJWUPKMH-LICLKQGHSA-N	329.312	2.468	50	40	EEGB	
Nc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H]3Br)cc1	1615055654	PBINEIVOICNDAU-GFCCVEGCSA-N	345.262	2.207	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2ccc(NC(=O)C3CC3)cc2)n1	14511375	AONJKRWSZHQASV-UHFFFAOYSA-N	325.372	2.199	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	121716	MFFGWRYHHDWVGF-ZDUSSCGKSA-N	346.408	2.330	50	40	EEGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCC1	8242715	IEHPTLIIMQXHBB-VIFPVBQESA-N	341.205	2.164	50	40	EEGB	
C[C@H](C(=O)NNC(=O)c1ccccc1F)N1CCc2ccccc2C1	69588727	GYGNFUCGUGXAGX-CYBMUJFWSA-N	341.386	2.034	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COc1ncnc2ccc(Br)cc12	105816134	ULVVQCIMODQXRP-FLIBITNWSA-N	347.172	2.096	50	40	EEGB	
COc1cc(/C=N/NC(=O)CN2CCCc3ccccc32)ccc1O	4140076	UZNCSGQMRSUERI-UDWIEESQSA-N	339.395	2.304	50	40	EEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2	4829599	QOGOXRQOUBIYFX-SDNWHVSQSA-N	335.363	2.206	50	40	EEGB	
C[C@H](Oc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1)C(=O)O	408853091	LIJKPCLATUMNOY-TZQXVGBESA-N	328.324	2.008	50	40	EEGB	
Nc1nc(CN(CCCl)CCCl)nc(Nc2ccccc2)n1	97941864	QRFQCBAIYZLWGY-UHFFFAOYSA-N	341.246	2.477	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1	50155	DEJDJRXXVGOUBD-VCHYOVAHSA-N	327.340	2.210	50	40	EEGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OC(C)=O)cc1)c1ccccc1	59383053	NJLJJQFJXBNQGM-MIQLPHMESA-N	326.352	2.450	50	40	EEGB	
CC(C)NC(=O)C(=O)N/N=C1/CCOc2c1ccc(Cl)c2Cl	95376556	QFHHSYDOIATMSK-ZDLGFXPLSA-N	344.198	2.121	50	40	EEGB	
CNC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1	97071376	MNFWJOKPXMJDKV-DJWKRKHSSA-N	333.967	2.458	50	40	EEGB	
O=C(Nc1ccccc1B(O)O)c1cccc(Oc2ccccc2)c1	1083814948	HTIINNUUDGGHOF-UHFFFAOYSA-N	333.152	2.411	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cnn(CCF)c1	253406411	ULCVCXACNICRFG-CQSZACIVSA-N	330.363	2.303	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1O)c1ccc([N+](=O)[O-])cc1	5257217	QSLJLIHSMUUFNS-GZTJUZNOSA-N	329.312	2.220	50	40	EEGB	
C/C(=N/NC(=O)c1n[nH]c2c1CCCC2)c1cccc([N+](=O)[O-])c1	13618800	SVRLIJLTHLERKJ-YVLHZVERSA-N	327.344	2.351	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCOCC1)[C@@H](Br)C2=O	2212279	PSVKKNZQUJYPMT-VQISRLSMSA-N	344.249	2.004	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1	4545765	FGMBBYNODMDIOY-RQZCQDPDSA-N	327.296	2.016	50	40	EEGB	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNC(=O)c2ccoc2C)c1	45129310	AWDAJKKKXNUQJX-SNVBAGLBSA-N	344.371	2.252	50	40	EEGB	
C[C@@H](Sc1nnc(N)s1)C(=O)C(C#N)=C1Nc2ccccc2N1	9949526	FNGOBMJWOLWTCC-SSDOTTSWSA-N	344.425	2.443	50	40	EEGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccco1	3764530	FSIJMICHNHHOHA-ZXMBATIKSA-N	333.413	2.175	50	40	EEGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1	408763688	OOOHADFJIAUXSW-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
O=C(CCl)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	3885989	JVUZXGLPFQGTHH-UHFFFAOYSA-N	343.836	2.115	50	40	EEGB	
IC[C@H]1COC[C@@H](COCc2ccccc2)O1	39137866	BAHMEZMZNVFQOY-QWHCGFSZSA-N	348.180	2.422	50	40	EEGB	in-vitro
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(OCC(=O)N(C)C)cc1	7947171	LQODCTJXGDGONS-LDADJPATSA-N	335.404	2.402	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1O	5619843	IWRLTULETMERKF-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
CO[C@H](C(=O)NNC(=O)COc1ccc(C)cc1C)c1ccccc1	5744745	DOPSWMBOXIUHOX-SFHVURJKSA-N	342.395	2.217	50	40	EEGB	
O=C(COc1ccccc1)NNC(=O)c1ccccc1Br	125110	UFISNTTVDHPDSA-UHFFFAOYSA-N	349.184	2.289	50	40	EEGB	
CCNC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1C1CC1	65189978	MOUWRMVRJNJMJG-UHFFFAOYSA-N	327.388	2.022	50	40	EEGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccco2)cc1	3528730	DYEJWRYCCKDCPD-NTEUORMPSA-N	340.335	2.055	50	40	EEGB	
O=C(O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	408867809	LZPOFRLXRQWINC-XDHOZWIPSA-N	326.352	2.233	50	40	EEGB	
CN(CC(=O)NNC(=O)COc1ccc(Cl)cc1)c1ccccc1	7358440	FFMXIUOLKHBHIU-UHFFFAOYSA-N	347.802	2.003	50	40	EEGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1	409233775	XBUYGNHBPSWECW-WDZFZDKYSA-N	339.307	2.055	50	40	EEGB	
COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl	575432274	ZBFWPTBHHSXYRC-ZDUSSCGKSA-N	349.214	2.459	50	40	EEGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc(Cl)c1	4737878	NQVCUVVRIJAYHI-AWQFTUOYSA-N	333.750	2.359	50	40	EEGB	
CCC1(CC)[C@@H](ON=C(C)C)NC(Cl)=C(C#N)[C@@]1(C#N)C(N)=O	22172441	HHFVHSULLXQFLP-HIFRSBDPSA-N	337.811	2.104	50	40	EEGB	
COc1cccc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)c1OC	20238198	ODOKHJVUQHPGJC-GFCCVEGCSA-N	345.424	2.348	50	40	EEGB	
COC(=O)[C@H](Br)[C@H](OC)c1ccc(OC)c(OC)c1	1673149	VZGSUAGRBQUVJP-VXGBXAGGSA-N	333.178	2.328	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	2894185	PCBQOEZIEBAWPR-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
C/C(=N/NC(=O)CNC(=O)Cc1ccc(Cl)cc1)c1ccco1	5030137	WFUQCTIEJDFXEZ-ODLFYWEKSA-N	333.775	2.132	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)c(OC)c1	409388666	VKOHOZVVDHMGMA-DEDYPNTBSA-N	333.432	2.466	50	40	EEGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc([N+](=O)[O-])o1	409022143	GGTRKFUVQJOEHN-NVMNQCDNSA-N	340.295	2.265	50	40	EEGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)cc1	3055811	CZVAJCFPUQJMHU-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
CC(C)(C)NNC(=O)c1cc(Br)c2c(c1)OCCO2	69416061	WSGIWFBVNMVVQN-UHFFFAOYSA-N	329.194	2.253	50	40	EEGB	
Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)c1ccccc1Cl	58428425	QDLZYPUSSVTHHS-VIFPVBQESA-N	334.807	2.255	50	40	EEGB	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(F)cc1	3525138	YBMXHKDUBCRZPN-DJKKODMXSA-N	331.303	2.056	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	9015490	KIFLEKCSLOYDMO-LBPRGKRZSA-N	334.372	2.461	50	40	EEGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1C)c1ccccc1	8089937	WPXYGHFVDUNKIA-KRWDZBQOSA-N	339.395	2.024	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2cncc(Br)c2)c(C)o1	6436528	IGWNMKJQUFQSOU-UHFFFAOYSA-N	338.161	2.129	50	40	EEGB	
O=C(CSc1ccc(C(F)(F)F)cn1)NNC(=O)c1ccco1	9339437	VDWBECWCEUCVQV-UHFFFAOYSA-N	345.302	2.247	50	40	EEGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1	33667661	YSIWVTHZDMWVKQ-DEDYPNTBSA-N	335.363	2.421	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccccc2C(=O)O)c1	83312036	GEYKQUMYQLWDEK-ZDLGFXPLSA-N	328.324	2.166	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)CCc2ccccc2)cc1OC	378975	AHOSRODAOWFQKT-UHFFFAOYSA-N	342.395	2.027	50	40	EEGB	
CCN1C(=O)/C(=N/NC(=O)CNc2cccc(C)c2)c2ccccc21	13126226	LRRGIESDOOOFBR-RELWKKBWSA-N	336.395	2.294	50	40	EEGB	
CCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2)n1	13628607	UAMADKMAAHFINC-UHFFFAOYSA-N	336.804	2.317	50	40	EEGB	
COC(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F	409356131	FDMPCCKDCYFEIR-ONEGZZNKSA-N	326.168	2.153	50	40	EEGB	
COc1ccc(/C=N\NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1	32119752	UZJAAKOLYLYBKM-CQLSMYGBSA-N	325.368	2.023	50	40	EEGB	
COc1cccc(/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	7985840	DOEKJWGVDMKIHF-BJMVGYQFSA-N	341.323	2.078	50	40	EEGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	258828	DGRJHDYBXJWMGI-UHFFFAOYSA-N	334.332	2.365	50	40	EEGB	
N#C/C(=C\c1ccccc1Cl)C(=O)NCCCN1CCOCC1	16791029	JWOUKZLKWRJNFO-NTCAYCPXSA-N	333.819	2.085	50	40	EEGB	
Cc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1	409118860	ORLQHKDNHZCARC-LDADJPATSA-N	345.424	2.155	50	40	EEGB	
COc1cc2c(cc1/C=N\NC(=O)Cc1ccc(F)cc1)OCO2	409231338	CAQGNLAHVWEHMD-OCKHKDLRSA-N	330.315	2.256	50	40	EEGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl	408988410	HWQWYKUUSVDYHS-CQSZACIVSA-N	337.807	2.180	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1	4681943	FKZZSZHGDUCBKY-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)c3cccnc3)c2c1	4600550	NJHYQJUQBBGIEF-UHFFFAOYSA-N	336.395	2.492	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1	5823602	PNGRCHRMHHXPQR-UHFFFAOYSA-N	346.358	2.453	50	40	EEGB	
Cc1cc(C)n(Cn2ccc(C(=O)N/N=C/c3ccc(F)s3)n2)n1	252478977	AYJKHBINKZNYCN-CAOOACKPSA-N	346.391	2.167	50	40	EEGB	
COc1ccccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(C)cc1	12292744	YRWLIPYVKOTPEB-CYBMUJFWSA-N	328.368	2.232	50	40	EEGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N2	8300989	XYLGMTIWWNNBME-UHFFFAOYSA-N	338.323	2.298	50	40	EEGB	
CN1C(=O)[C@]2(C[C@H](I)CO2)c2ccccc21	26897530	CWBDOKADQITBKQ-UFBFGSQYSA-N	329.137	2.082	50	40	EEGB	
CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	408807512	CXEYTAZJOFJNKF-OQLLNIDSSA-N	329.400	2.022	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	46192999	ZGNLJBOPBJNHRD-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C1C=C(O)/C(=C/NNC(=O)c2cc3ccccc3cc2O)C=C1O	219464985	ATUDAZGVGGVSOP-FMIVXFBMSA-N	338.319	2.130	50	40	EEGB	in-vitro
COc1ccc2c(CC(=O)NNC(=O)c3ccc(O)cc3)coc2c1	7781582	SFXRZXRUWWHSSW-UHFFFAOYSA-N	340.335	2.151	50	40	EEGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccnc1	226855586	TYQJYNXBILMGFT-UHFFFAOYSA-N	346.195	2.012	50	40	EEGB	
CC(C)=NO[C@@]1(c2cccs2)OC(N)=C(C#N)C1=C(C#N)C#N	100242200	XMWPZZLMYMWKFR-OAHLLOKOSA-N	325.353	2.381	50	40	EEGB	
COC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	7000269	JBSQNORQBNEPEW-YIVIPITNSA-N	338.791	2.415	50	40	EEGB	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1	3489380	XITHJFUFJVFOLU-UHFFFAOYSA-N	344.392	2.011	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3101239	BWFBUMZIWODGBN-WOJGMQOQSA-N	340.339	2.246	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC(C)CC2)cc1	15378733	BCEWHBSJBQEQOJ-UHFFFAOYSA-N	346.475	2.026	50	40	EEGB	
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1	505700	HMWZEBFBPVTJPG-ZDUSSCGKSA-N	327.384	2.435	50	40	EEGB	
O=C(NNc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	16490257	WMYWZOBEUFYCGN-UHFFFAOYSA-N	325.280	2.458	50	40	EEGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(C#N)cc2)ccc1Cl	2639760	CEDFXADYRIBJSG-UHFFFAOYSA-N	343.770	2.360	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(O)cc1	100992393	PMKZKNBQMDNZIS-YDDPGSGASA-N	336.351	2.147	50	40	EEGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc1	20764594	OJAIPJLVYWGWHR-YBFXNURJSA-N	342.351	2.313	50	40	EEGB	
O=C(CCc1cnn(-c2ccccc2)c1)NNC(=O)Cc1ccccc1	12937798	ZNAXEEYJEDFQCB-UHFFFAOYSA-N	348.406	2.195	50	40	EEGB	
O=C(O)CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1	17071194	CYRBFDHBXNVPQR-XMHGGMMESA-N	340.335	2.414	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1O	409393453	XLQRXXIHDYAUDJ-VCHYOVAHSA-N	330.340	2.269	50	40	EEGB	
[BH3-][P+](c1ccccc1)(c1ccccc1)c1ccc(C(=O)O)c(F)c1	219785225	AAKXPRFVNSPDPS-UHFFFAOYSA-N	338.127	2.098	50	40	EEGB	
COc1ccc(SCC(=O)NNC(=S)NC(C)(C)C)cc1	8302432	AOHBDZVHCMSVFE-UHFFFAOYSA-N	327.475	2.081	50	40	EEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccccc3)nc12	545492	DGNBKSFUEBKGSH-JLHYYAGUSA-N	346.346	2.188	50	40	EEGB	
CN1C(=O)/C(=N/NC(=O)Cc2c[nH]c3ccccc23)c2ccccc21	104087745	DXKGVSRIVKPJBJ-RELWKKBWSA-N	332.363	2.207	50	40	EEGB	
COc1ccccc1C(=O)NCC(=O)N/N=C(\C)Cc1ccccc1	4815411	IDNQVMZSWMSYCD-KGENOOAVSA-N	339.395	2.160	50	40	EEGB	
C/C(CCc1ccccc1)=N/NC(=O)CC(=O)NCc1cccnc1	5260573	LLMFWZGNSXPDKD-JCMHNJIXSA-N	338.411	2.213	50	40	EEGB	
CC1(C)OC[C@H](CO[P@@](N)(=O)N(CCCl)CCCl)O1	1730290	YKXMOSMMYHSZNZ-AYLIAGHASA-N	335.168	2.001	50	40	EEGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1F	24975864	FDXBYTRGYGEJOF-LLVKDONJSA-N	342.330	2.318	50	40	EEGB	
COc1ccc(CN(C)C(=O)NNC(=O)c2ccc(C)cc2)cc1	12569015	WKCGFVMUMSZQNL-UHFFFAOYSA-N	327.384	2.490	50	40	EEGB	
O=c1c2cc(-c3cccs3)nn2ccn1Cc1noc(CCl)n1	57352216	YFWVFKMVXMGTQG-UHFFFAOYSA-N	347.787	2.395	50	40	EEGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc2ccccc12	96298062	BMQHTXGAXJTIKC-BXUJETTOSA-N	345.424	2.050	50	40	EEGB	
CCOC(=O)c1coc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	59522892	MSYWDDUOFHWWBW-LZYBPNLTSA-N	331.284	2.128	50	40	EEGB	
O=C1NN=C[C@H]1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	100948849	VZUQZJCAWQRGEU-MZYRPWKCSA-N	330.347	2.175	50	40	EEGB	
CCN(NC(=O)CN1C(=O)COc2ccccc21)c1ccc(C)cc1	24479774	FYPQTYZUCGTRDL-UHFFFAOYSA-N	339.395	2.278	50	40	EEGB	
CCC[C@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O	2339384	KRTYAGOACDPVFC-SNVBAGLBSA-N	326.780	2.382	50	40	EEGB	
CC(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408542633	MQUSAHFXPJVPON-QGMBQPNBSA-N	325.324	2.451	50	40	EEGB	
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(C)cc1	4405549	VGSCVAGXBSNUAM-FYJGNVAPSA-N	327.359	2.404	50	40	EEGB	
Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1cccs1	7958395	VXFCZZJZRHVHFS-UHFFFAOYSA-N	334.445	2.221	50	40	EEGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O	4517113	FKSGVOCRSDQFEF-FQEVSTJZSA-N	349.390	2.126	50	40	EEGB	
O=C(N/N=C/c1cccc(F)c1)c1c(O)c2cc(F)ccc2[nH]c1=O	5687344	UTTCHJNQFPBXTN-DNTJNYDQSA-N	343.289	2.276	50	40	EEGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)c1	4703124	PMZGMYLKCMVHQS-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	2216397	QTDLISPLKAAVJX-CYBMUJFWSA-N	334.759	2.169	50	40	EEGB	
CN1C(=O)N[C@H](c2ccccc2)C([N+](=O)[O-])=C1CBr	3124917	QUFVSMNBTRDRFH-SNVBAGLBSA-N	326.150	2.266	50	40	EEGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccccc1Cl	59444367	LIXAJAFHXLRRJY-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1	4132200	HMTQWEGPJYVDEQ-RDUZZNEKSA-N	327.409	2.036	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccncc1	4631229	GDTHETCYHZFQHG-XDHOZWIPSA-N	339.355	2.354	50	40	EEGB	
C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)C1(OCCO1)C21OCCO1	4227972	AOSQNKXTFPVICJ-QJPTWQEYSA-N	333.222	2.304	50	40	EEGB	
C[C@]1(O)NC(S)=C(C#N)[C@H](c2cccs2)[C@H]1[n+]1ccccc1	35183026	AAEBFHJHCVGWRA-IIAWOOMASA-O	330.458	2.337	50	40	EEGB	
CCOc1cc(Br)c(/C=C(\C#N)C(N)=O)cc1OC	36777	XQGJQPUAEVBBKZ-RUDMXATFSA-N	325.162	2.249	50	40	EEGB	
O=C(NNc1ccc2nncn2n1)C(c1ccccc1)c1ccccc1	81799	ILGLGJKYWMQYGT-UHFFFAOYSA-N	344.378	2.400	50	40	EEGB	
COc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F	40461105	INVSEMOIEICYBO-LLVKDONJSA-N	347.346	2.455	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2cccc(OC)c2O)cc1OC	59515926	XABXUWHUZHINGT-ODLFYWEKSA-N	344.367	2.111	50	40	EEGB	
N#C/C(C(=O)NCCOc1ccccc1)=C1/C(=O)Nc2ccccc21	59474493	WZSRMUNSGIUMLD-ICFOKQHNSA-N	333.347	2.111	50	40	EEGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1c[nH]c2ccccc12	6616372	BENXCFNPRHOICK-ZVBGSRNCSA-N	336.351	2.459	50	40	EEGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409137732	XEJKSWFUTNFMLO-GOSISDBHSA-N	333.391	2.429	50	40	EEGB	
Cn1ccnc1CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br	1614972602	INUOKKQMAMSYSG-DOMZBBRYSA-N	334.217	2.142	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Br)cc1	16694089	GGBBTERNTVRWAP-GHXNOFRVSA-N	332.157	2.241	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1	2663032	RDXVTUBLJWFGGP-UHFFFAOYSA-N	342.395	2.081	50	40	EEGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1O	59333477	RRHFHOGRRLFDCE-WTKPLQERSA-N	325.162	2.158	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505523	WZEWESPKYJQUSE-RZIIRREYSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc([N+](=O)[O-])cc1	3034712	RQBKSDADJKWXKQ-CXUHLZMHSA-N	344.283	2.032	50	40	EEGB	
C=CCNC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1	3361602	LJIYIHZDUFWAFF-BJMVGYQFSA-N	337.173	2.372	50	40	EEGB	
Cn1ncc2c(NNC(=O)c3ccc(Cl)cc3Cl)ncnc21	4338798	SLBCVEHENSZOFV-UHFFFAOYSA-N	337.170	2.427	50	40	EEGB	
CCc1ccc([C@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1	9324658	JWMNFILRCDIXRE-CYBMUJFWSA-N	330.409	2.494	50	40	EEGB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)C1CC1	103918403	IPHTWOPUZPRWJK-VBKFSLOCSA-N	326.400	2.494	50	40	EEGB	
Cc1cc(CNC(=O)NNC(=O)Cc2ccc(F)cc2)ccc1F	10366947	LGUPQVXDWNKRFA-UHFFFAOYSA-N	333.338	2.346	50	40	EEGB	
COc1cc(C(=O)N/N=C(\C)c2ccncc2)cc(OC)c1OC	5480061	VWGGFGXNSJTVPL-YBFXNURJSA-N	329.356	2.261	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1	188517	LZFNSRAANWDXEU-MKFNJMOCSA-N	343.408	2.499	50	40	EEGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(OC)c1O	15229967	BWTAHPAWAFYASU-SDQBBNPISA-N	328.324	2.226	50	40	EEGB	
O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)O[C@@H](CCl)C(=O)c1ccccc1	7939498	PKBPURKOZIBHQC-DXUDUQDWSA-N	348.782	2.218	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@H](C[C@@H]3C[C@@H]2C3(C)C)[C@H]2C(=O)OC(=O)[C@H]12	103370010	LWJRFRGYHFWQLY-IOIVRQTOSA-N	345.439	2.409	50	40	EEGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)c1C	7765197	UIQLINXWJVCIEL-AWEZNQCLSA-N	337.379	2.404	50	40	EEGB	
CN(NC(=O)CCl)c1nc(-c2ccccc2)nnc1C(F)(F)F	6178378	MSOQZRFOHBEMRD-UHFFFAOYSA-N	345.712	2.264	50	40	EEGB	
C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)c1cccs1	14046732	IIQVNIIOWXSKKD-NSHDSACASA-N	341.392	2.024	50	40	EEGB	
Cc1nn(CC(=O)N/N=C/c2ccc(F)s2)cc1Br	252487795	IBRVNUQSODTGJI-LNKIKWGQSA-N	345.197	2.305	50	40	EEGB	
N#C/C(=C/N1CCN(c2ccccc2)CC1)C(=O)NCc1ccco1	32021055	OUQDSDHMPSJAHR-NXVVXOECSA-N	336.395	2.125	50	40	EEGB	
C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)C1CC1	101406866	NTYNZEYJHZPNPN-PLNGDYQASA-N	336.207	2.323	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@H]2OCCc3ccccc32)cc1OC	106963213	DGLVCCOKRDMBRN-HRVJUDJTSA-N	340.379	2.468	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1	408803845	AYMKMAYKUSBZLH-LERPTODRSA-N	330.384	2.450	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1C	59191	RGVBINXECRVFLX-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CC1=NNC(=O)[C@H]1CCC(=O)N/N=C\C(Cl)=C\c1ccccc1	100611356	BDBGABQEMOMFFP-HPKMXKOSSA-N	332.791	2.270	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1	288894	PZVMYJDAKRXQEX-OAHLLOKOSA-N	348.314	2.422	50	40	EEGB	
COc1cc(C(=O)N/N=C(\C)c2ccccn2)cc(OC)c1OC	5282522	IFCPVGUWPISIDV-YBFXNURJSA-N	329.356	2.261	50	40	EEGB	
Cc1cc(OCC(=O)NNC(=O)c2ccncc2)ccc1C(C)C	5423503	GQJBHPDERIGRFW-UHFFFAOYSA-N	327.384	2.353	50	40	EEGB	
CCc1noc(C)c1C(=O)NNC(=O)COc1ccc(C)c(C)c1	12885699	XEWXNFMQBQOZNH-UHFFFAOYSA-N	331.372	2.002	50	40	EEGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1sccc1C	4680171	WPVBVFVHLHGJOH-DJKKODMXSA-N	345.424	2.010	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C)o1	21876096	UBYVQNJRHNAPLK-UHFFFAOYSA-N	326.308	2.078	50	40	EEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(N)=O)cc2)cc1C	565852	MJOZNEPXHZWIQR-KEBDBYFISA-N	340.383	2.323	50	40	EEGB	
N#C/C(C(=O)Nc1ccc2c(c1)OCCO2)=C1/N=C(N)c2ccccc21	12504716	VURUBVAATSQDID-VKAVYKQESA-N	346.346	2.050	50	40	EEGB	
Cc1n[nH]c(NNC(=O)c2cccc(Br)c2)c1[N+](=O)[O-]	4066945	MHDZSPUXKIUQCV-UHFFFAOYSA-N	340.137	2.146	50	40	EEGB	
CC(C)[C@H]1CC[C@@H](C)[C@@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	4816188	MGXQEUVYHVTMNX-QEPJRFBGSA-N	338.411	2.233	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)c(OC)c1	6453956	LXNOPPOFXQBXNN-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1)C1C(=O)c2ccccc2C1=O	100505405	UHSRGYREOSUCHK-UDWIEESQSA-N	336.347	2.253	50	40	EEGB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	28200927	SWXCKMJAHDJFCF-RYUDHWBXSA-N	325.368	2.076	50	40	EEGB	
O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1	16701349	FZHPJGNMYSVSRQ-UHFFFAOYSA-N	344.714	2.334	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c(O)c1	3081765	FBDGTUWBMXPTBQ-AWQFTUOYSA-N	345.786	2.234	50	40	EEGB	
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1	6596038	RGAZXEZSGFJPSU-UHFFFAOYSA-N	349.437	2.096	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1	103916785	LCTCPCVLZXNLIL-VBKFSLOCSA-N	335.367	2.013	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1	59516054	CTTZQQMBEOSTLB-CPNJWEJPSA-N	330.432	2.042	50	40	EEGB	
C[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)n1nnc2ccccc21	124510	IZNWVVRGIHPLKZ-KOLYXTFFSA-N	344.356	2.112	50	40	EEGB	
N#CC1=C(N)Nn2c(nnc2-c2ccc(Br)cc2)S1	12390314	DCMSMZUEZAUDNT-UHFFFAOYSA-N	335.190	2.008	50	40	EEGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCC1=CCCCC1	9467396	CUIDJKCMUWWKMY-UHFFFAOYSA-N	341.415	2.477	50	40	EEGB	
COc1cccc(-c2nc(C(=O)NN(C)C)nn2-c2ccccc2)c1	45221860	RTTNKJCKHIAEBX-UHFFFAOYSA-N	337.383	2.149	50	40	EEGB	
CCc1ccc(OCC(=O)N/N=C/c2ccccc2O)c([N+](=O)[O-])c1	353689	TWNVEYLGOOCPPQ-VCHYOVAHSA-N	343.339	2.392	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	5380583	VJZORAMKMVOUNV-CAOOACKPSA-N	327.296	2.396	50	40	EEGB	
O=C(CCCl)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	8910966	LHJRQKJISXMMEX-LLVKDONJSA-N	336.775	2.029	50	40	EEGB	
COc1cc(/C=C(/C#N)C(N)=O)ccc1Oc1nc(Cl)ncc1F	6181599	BIORZRUGSCUZCF-WTKPLQERSA-N	348.721	2.462	50	40	EEGB	
CC(=O)Nc1ccc(-n2ccnc2[P@](=O)(O)c2ccccc2)cc1	3180727	GIZDLRPXJHLPMK-UHFFFAOYSA-N	341.307	2.052	50	40	EEGB	
Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2cccc(Cl)c2Cl)n1	482942	FQKQIQGAPZZMQQ-PJQLUOCWSA-N	342.142	2.399	50	40	EEGB	
CCOc1ncccc1C(=O)N/N=c1/sc2ccccc2n1C	102805579	NDFUDNGSTWEDKU-KNTRCKAVSA-N	328.397	2.279	50	40	EEGB	
COC(=O)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	507968	HBTHMBSVXCSDLZ-GIJQJNRQSA-N	342.307	2.324	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-]	4775400	XQQYRMXGOOOCHH-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
Cc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@]23CC(=O)OC3=O)cc1	59690748	WKZWARGPGUQSOL-ZBEGNZNMSA-N	347.417	2.442	50	40	EEGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	12292724	WSBIYRODLNFPNF-GFCCVEGCSA-N	343.339	2.132	50	40	EEGB	
COCCCNC(=O)/C(C#N)=C/c1cc(Br)ccc1O	408808835	GFDVIRZKHRRNQL-YRNVUSSQSA-N	339.189	2.214	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O	18996499	VZUICKHVFAHDHG-ZSOIEALJSA-N	348.362	2.075	50	40	EEGB	
CCOC(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N	101426406	CEKKXSGONFOCQU-ZDUSSCGKSA-N	329.187	2.260	50	40	EEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccco2)c1	3201031	QZZUKZRDURYMEG-SFQUDFHCSA-N	349.412	2.074	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=O)C[C@H](C(=O)O)c1ccccc1	13250847	RPVNJQQEQQAHFX-HNNXBMFYSA-N	326.352	2.015	50	40	EEGB	
O=C(NC[C@H]1CCCO1)NN=C1CCN(c2ccc(F)cc2)CC1	84405067	NQHWJKIAFFWHJZ-MRXNPFEDSA-N	334.395	2.260	50	40	EEGB	
Cn1cccc1/C=N\NC(=O)COc1cccc(Br)c1	409106073	LYMDYDLPOIRQER-SXGWCWSVSA-N	336.189	2.317	50	40	EEGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1O	409000516	TVXQDQNIZFZSGE-LICLKQGHSA-N	328.328	2.130	50	40	EEGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2cccc(Cl)c2)n1	17219000	WELQOSZRBQEHGS-WCQYABFASA-N	339.182	2.250	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2C)cc(OC)c1O	223576	CMAHPROBEMFSHR-KEBDBYFISA-N	343.383	2.280	50	40	EEGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333609	IYWZUHVAIZAMKJ-YHYXMXQVSA-N	339.189	2.461	50	40	EEGB	
COc1ccc2oc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c(C)c2c1	104319367	UOTJLITWGWDJKS-RAXLEYEMSA-N	328.324	2.232	50	40	EEGB	
O=C(NNc1ccccc1[N+](=O)[O-])[C@H]1CC(c2cccc(F)c2)=NO1	44845179	VZDSZPJCIDDGLN-OAHLLOKOSA-N	344.302	2.370	50	40	EEGB	
CSc1ncccc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	12855064	QBVNGCSXEOAZHA-SNVBAGLBSA-N	349.387	2.171	50	40	EEGB	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2ccncc2)c(C)s1	5173815	QRYIZZSCBDGIJP-UHFFFAOYSA-N	331.397	2.184	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	408969954	XROFZCJCGIKVSU-CIAFOILYSA-N	338.411	2.155	50	40	EEGB	
O=C(NNC(=O)C1CC1)c1ccc(CN2CCc3ccccc32)cc1	63535299	BEUOZLPNVZHGTJ-UHFFFAOYSA-N	335.407	2.420	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2cccc(N(C)C)c2)cc1	6568822	HPMOJYXKLKIAEJ-UHFFFAOYSA-N	344.440	2.393	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@H](C)c1ccccc1	7812087	BJYZFOZONVCDNT-GNUZOCDUSA-N	339.395	2.413	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccncc1	4356930	OEBZSSZRDFMZCV-XDHOZWIPSA-N	339.355	2.354	50	40	EEGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)C1(C)C	72853566	JOPJICPNUMBGPQ-KBMXLJTQSA-N	328.412	2.376	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c1	16102346	WBTDIJRULZLLDN-NVMNQCDNSA-N	328.328	2.171	50	40	EEGB	
CCOC(=O)C(=O)N/N=C(/c1ccccc1)c1ccc(OC)cc1	2258949	RUZYROVRANZLJS-MNDPQUGUSA-N	326.352	2.127	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1[N+](=O)[O-]	60150	NFRRUBQGIFEZNY-VXLYETTFSA-N	342.355	2.474	50	40	EEGB	
Cc1sc(-n2cccc2)c(C(=O)NNC(=O)[C@H]2CCCO2)c1C	32260506	WFPWRASRBFPRRR-GFCCVEGCSA-N	333.413	2.096	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c1	36020550	HNIVOHJLGIBTBD-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)NC3CCCCC3)ccc21	4525146	AKEHEKXSSQAJEZ-UVTDQMKNSA-N	338.411	2.233	50	40	EEGB	
Cc1ccc2nc(SCC(=O)NNC(=O)c3ccccc3)[nH]c2c1	6506548	GGNKHIADXMZPKL-UHFFFAOYSA-N	340.408	2.425	50	40	EEGB	
COC(=O)/C(C#N)=C1\CCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC	35193616	WHIRJRPPYCTMHP-VDSAHHCSSA-N	334.397	2.483	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1	46989	ZWGGYYAXKYHWNW-QUYZQLMHSA-N	326.352	2.311	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)O	102192695	QVRCJJDUOXMWKO-UXOAXIEHSA-N	346.383	2.042	50	40	EEGB	
COC(=O)NNC(=O)Nc1cccc(COC[C@@H]2CCCCO2)c1	47626640	QEWQAXHETBMILL-AWEZNQCLSA-N	337.376	2.165	50	40	EEGB	
O=C(N/N=C\c1ccc(I)o1)c1ccncc1	32116941	ZXIVJHBTLZALKK-AUWJEWJLSA-N	341.108	2.043	50	40	EEGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1	96291602	ZEXIMWXVNKXWQH-PUMYGXPMSA-N	345.424	2.050	50	40	EEGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N1CCCCCC1	59435622	CDWQOEZXIOSHKO-DEDYPNTBSA-N	339.395	2.398	50	40	EEGB	
COC(=O)c1ccc(COc2ccccc2/C=N/NC(N)=O)cc1	2750615	DWOMNXAOTVBVMS-VXLYETTFSA-N	327.340	2.054	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)c1	3072687	NDGGEROWFJTURX-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
CC(C)CN1C(=O)/C(=N\NC(=O)c2ccc(N)cc2)c2ccccc21	3574275	HDMBEJCWKKUIBL-FXBPSFAMSA-N	336.395	2.406	50	40	EEGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@](C)(O)C3CC3)cc2C1	89930082	WBOLVYXGCWXBSJ-QGHHPUGFSA-N	336.457	2.185	50	40	EEGB	
NNC(=O)c1cn(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	216952134	LEMOIYDIEPZTFZ-UHFFFAOYSA-N	338.323	2.036	50	40	EEGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccn2)cc1	5370464	MSQCIEDSKOTMMM-UDWIEESQSA-N	326.356	2.225	50	40	EEGB	
O=C(/C=C/c1cccnc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	30892148	FPTDQILQKRTJBG-ONEGZZNKSA-N	325.412	2.459	50	40	EEGB	
N#CC1=C(N)NC(S)=C(C#N)[C@@H]1c1cccc(Br)c1	4638566	SRYHWYLCJGWKHZ-LLVKDONJSA-N	333.214	2.495	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccs1	59516306	TWOAUYOUVYYRJT-LZYBPNLTSA-N	337.788	2.499	50	40	EEGB	
CCOC(=O)C1=C(C)NC(=O)N(C(=O)CCl)[C@H]1c1ccccc1	6604148	ZIAFJUBQFIWIHC-AWEZNQCLSA-N	336.775	2.355	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2Cl)c(C)o1	16149762	WXHMNHBGYPWNBM-UHFFFAOYSA-N	328.777	2.173	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)CNc2ccc(F)cc2)cc1	1440424	FKEWGMCWEOEKRV-UHFFFAOYSA-N	348.403	2.264	50	40	EEGB	
COCC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	4142682	JNHJTIVQZDZSRW-ZDUSSCGKSA-N	334.759	2.221	50	40	EEGB	
C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccccc1O	4124066	ZORKKUOPHLLDRK-UDWIEESQSA-N	326.356	2.230	50	40	EEGB	
Cc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccccc2)cc1	3223828	UYFFCEAQHUGYHE-UHFFFAOYSA-N	339.424	2.325	50	40	EEGB	
C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)OC2=O	222189502	OTWRGWSKJQRMNC-WQGWLQIFSA-N	340.011	2.262	50	40	EEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cncc(Br)c1	4579366	DCHBLMNDVMBVJY-NSIKDUERSA-N	339.105	2.109	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1cccc(O)c1	5818951	OSGFSKURQVVUQW-AWEZNQCLSA-N	331.335	2.395	50	40	EEGB	
O=C(COC(=O)CCC1CCCCC1)NNC(=O)c1ccccc1	7701679	OBOMKOXVHNNFBD-UHFFFAOYSA-N	332.400	2.351	50	40	EEGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(O)cc1O	548499	RAZWQRYJBVIOCN-CAOOACKPSA-N	343.364	2.481	50	40	EEGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1n[nH]c2c1CCC2	336049	RWLJGINKCWGCSH-FRKPEAEDSA-N	349.188	2.130	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1	8339373	CVMNCCZDHYMTKG-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
CC1(C)C(C#N)=C(SCC(=O)Nc2ccccc2)NC(=O)[C@@H]1C#N	141454	FHJMUPUFNBZYDI-LBPRGKRZSA-N	340.408	2.389	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1OC	255866	JEWWADMVDRPQBX-UHFFFAOYSA-N	334.759	2.432	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	357105	DYKXSCRWOLNNKE-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cc(Cl)ccc1O	100571742	SFWKZRAGNVQABV-GIJQJNRQSA-N	325.796	2.456	50	40	EEGB	
CC(=O)NNC(=O)CSc1nccn1-c1ccc(C(C)C)cc1	29902461	OLIDPFWWNDCXQH-UHFFFAOYSA-N	332.429	2.255	50	40	EEGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	23382617	BPXMYHJFOHJNCK-MPMPPSQCSA-N	349.390	2.335	50	40	EEGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	28496112	IDXPBIXWCASHCI-KMPOOHAWSA-N	342.395	2.462	50	40	EEGB	
CC(C)[C@H]1CC[C@H](C)[C@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	102677914	MGXQEUVYHVTMNX-OUFKLWKOSA-N	338.411	2.233	50	40	EEGB	
CSc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)cc1	6589449	QBMSCZDWTRSVLO-UHFFFAOYSA-N	343.452	2.302	50	40	EEGB	
CC(=O)c1c(NNC(=O)c2c[nH]c3ccccc23)oc(C)cc1=O	4614609	IPUNMDZTDKAIGS-UHFFFAOYSA-N	325.324	2.389	50	40	EEGB	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884966	LVMFHVNOBGPJOM-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
Cc1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)OC3=O)cc1	59690759	WKZWARGPGUQSOL-MEDUHNTESA-N	347.417	2.442	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	59922104	DVEQMNKPIURQJK-VCHYOVAHSA-N	341.323	2.454	50	40	EEGB	
N#C/C(=C/c1ccco1)C(=O)OCCN1C(=O)c2ccccc2C1=O	33788615	KRSTZKJQTLUVAY-BENRWUELSA-N	336.303	2.026	50	40	EEGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1O	409368772	LMDRYMICNJYNHS-WOJGMQOQSA-N	339.307	2.076	50	40	EEGB	
O=C(N/N=C/c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409159252	VMJDVVTXRNUFGM-HXJASHHUSA-N	325.343	2.329	50	40	EEGB	
COc1ccc(/C(C[C@H]2OC(=O)c3ccccc32)=N/NC(N)=O)cc1	13139328	BTEQIWOOAIBYES-MURKYSCBSA-N	339.351	2.369	50	40	EEGB	
O=C(COc1ccc(N2CCCC2=O)cc1)NNc1ccc(F)cc1	52604331	SZXIPRMNGINDTM-UHFFFAOYSA-N	343.358	2.475	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)c2ccccc12	59246476	VMMMPVUTJUFQTA-MOSHPQCFSA-N	341.411	2.021	50	40	EEGB	
COc1cccc(/C=N/NC(C)=O)c1OCc1cccc(C(=O)O)c1	4545341	ZHNOEFYFZFFLLA-VXLYETTFSA-N	342.351	2.442	50	40	EEGB	
Cc1ccsc1C(=O)NNC(=O)c1cncn1-c1ccccc1	9157016	BZYUUQJAICRHGC-UHFFFAOYSA-N	326.381	2.317	50	40	EEGB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N/N=C/c1ccc(F)s1	252494488	NXEFPLCGMKVMHF-LHHJGKSTSA-N	345.743	2.186	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccc(F)cc2)cc1C	9811342	KNAATNRZKMZDOK-UHFFFAOYSA-N	345.374	2.352	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)c1sc2ncnc(N)c2c1C	408972545	DOXGRONWVAHQBV-IFRROFPPSA-N	341.396	2.354	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1	3057597	SQQPWTLZBCMQGN-KGENOOAVSA-N	339.395	2.242	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC	16437518	CCFFADLEHQVHQB-HNRFISLBSA-N	330.384	2.296	50	40	EEGB	
Cn1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	13584440	FCCDLHINYXHQMR-VNAJSCGASA-N	335.363	2.468	50	40	EEGB	
N#CC1=CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	96003796	DYWNJNNXAQQAEN-UHFFFAOYSA-N	327.749	2.093	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	39557399	ARASZNBDZKOSNI-MKFNJMOCSA-N	342.351	2.311	50	40	EEGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C	573903	ZNLLGXFQPKBVOU-RGVLZGJSSA-N	338.367	2.245	50	40	EEGB	
CC[C@@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)Nc1cc(C)on1	14199094	GTWUKCQFUXELRR-CYBMUJFWSA-N	341.371	2.116	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1cccc(Cl)c1	408784031	QPMGSLQQMDWRJJ-UHFFFAOYSA-N	343.836	2.152	50	40	EEGB	
COC(=O)[C@H](C)N(CCCl)[P@]1(=O)OCCCN1CCCl	5809551	YFEUFZCINSWDOQ-WVDJIFEKSA-N	347.179	2.158	50	40	EEGB	
CC[C@H](Br)C(=O)NNC(=O)CSCc1ccccc1	18192298	CPPXWVUBBLZMSL-NSHDSACASA-N	345.262	2.241	50	40	EEGB	
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1	32259474	XDEUNRHUSDTCJT-GFCCVEGCSA-N	334.372	2.494	50	40	EEGB	
O=C(O)[C@H]1CC=CC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	16480999	DHMHAGYQOJYJIF-JQLUWMPHSA-N	346.427	2.017	50	40	EEGB	
C/C(=N\NC(=O)CC(=O)NC(C)C)c1cccc(Br)c1	4358881	YAXWCQUNNKNCJV-LICLKQGHSA-N	340.221	2.204	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc([N+](=O)[O-])c1O	37061999	OCOBLIMNKVQWIV-GIJQJNRQSA-N	344.327	2.045	50	40	EEGB	
CCO[C@@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253397990	GJTKMVWVUUNZDC-BONVTDFDSA-N	328.372	2.253	50	40	EEGB	
COc1cc(NC(=S)NNC(=O)CC(C)C)cc(OC)c1OC	17071413	YVRUQDOFLCGXSV-UHFFFAOYSA-N	341.433	2.076	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2OC[C@H]2CCCO2)n1	22876703	CVEBEMMKNUOMET-CQSZACIVSA-N	342.399	2.408	50	40	EEGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c(F)c1	4524048	YXLHUBSJLMLGRR-KEBDBYFISA-N	325.299	2.232	50	40	EEGB	
CSc1ccc(Cl)c(C(=O)NNc2nnc(C)c(O)n2)c1	23310375	PJEGHZBUKQQWQO-UHFFFAOYSA-N	325.781	2.018	50	40	EEGB	
O=C(NNC(=O)C1CC1)c1ccccc1C(=O)c1ccc(F)cc1	73957567	SZTREYTZPTVFEU-UHFFFAOYSA-N	326.327	2.228	50	40	EEGB	
CCOC(=O)/C(C#N)=C\C=C(\C=C/N(C)CC(N)=O)c1ccccc1	35188499	UXUIUBKGAHIHCD-NTIKEERVSA-N	339.395	2.014	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cnn(CCF)c1	253406408	ULCVCXACNICRFG-AWEZNQCLSA-N	330.363	2.303	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)c2ccc(N)cc2)cc(OC)c1OC	5725349	KMHQAEFBLDFWCW-RGVLZGJSSA-N	343.383	2.449	50	40	EEGB	
CCOc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	408711660	DGGKVQRPLGBWHY-WQRHYEAKSA-N	343.339	2.392	50	40	EEGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccnc(Cl)c1F	95448445	SLQUTDJCSTUPCG-UHFFFAOYSA-N	325.702	2.017	50	40	EEGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccco1	408718863	PYFJHAPFBANZLO-MKMNVTDBSA-N	325.118	2.217	50	40	EEGB	
CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)N(CC)CC	5866038	SBGLBXZQHUORIW-SQFISAMPSA-N	336.823	2.465	50	40	EEGB	
CC(C)CC(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12	6883245	MMZRHDWRWNTMOS-UHFFFAOYSA-N	343.452	2.450	50	40	EEGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@@H](O)c1ccccc1	55080779	DWDSLRUKMLMVLW-IBGZPJMESA-N	337.423	2.488	50	40	EEGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccnn1C	1498336	UIUVKIQDXOMBAY-FRKPEAEDSA-N	327.171	2.499	50	40	EEGB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	28200926	SWXCKMJAHDJFCF-NEPJUHHUSA-N	325.368	2.076	50	40	EEGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)NC[C@H]1CCCO1	3301045	SCUSZTZOJXOJFZ-XETPBLJFSA-N	348.786	2.085	50	40	EEGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccncc1	107598385	MKADWKXGTAZUCM-UHFFFAOYSA-N	346.195	2.012	50	40	EEGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	89391	RANFGDZLECAOGY-HXUWFJFHSA-N	347.374	2.188	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)c2cnc(C)cc2Cl)c1	89677561	AYWXTZPJGOQDCX-UHFFFAOYSA-N	333.775	2.192	50	40	EEGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)[C@@H]1COc2ccccc2O1	7900042	YXVOFZIHQRBKQP-NIQDBXHUSA-N	348.362	2.162	50	40	EEGB	
C=CCN1C(=O)/C(=N/NC(=O)CNc2ccccc2C)c2ccccc21	4662939	LJGUIEQUPVAWOC-FCDQGJHFSA-N	348.406	2.460	50	40	EEGB	
O=C(N/N=C/c1ccccc1O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	342917	DYMLDASAQZZVCF-NPNVKNKFSA-N	341.342	2.035	50	40	EEGB	
COC(CBr)(CCN1C(=O)c2ccccc2C1=O)OC	1385075	GDVLRXGUVTYNSD-UHFFFAOYSA-N	342.189	2.057	50	40	EEGB	
C=CCOc1cccc(/C=N/NC(=O)CSc2ncccn2)c1	408860193	WPPUFLFJQWTDHY-YBFXNURJSA-N	328.397	2.284	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1Cl	9951918	QEDWLUVOTUWVOP-SOFGYWHQSA-N	331.759	2.218	50	40	EEGB	
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(B(O)O)ccc1F	169995096	HRLQHZOOWBUTLV-UHFFFAOYSA-N	327.935	2.065	50	40	EEGB	in-vitro
O=C(N/N=C/c1ccoc1)c1cc([N+](=O)[O-])nn1Cc1ccccc1	484373	ZCNFLOSVBMSJMG-RQZCQDPDSA-N	339.311	2.197	50	40	EEGB	
COC(=O)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	107612514	IXSMRWBYGBQYGC-WQRHYEAKSA-N	341.323	2.074	50	40	EEGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	16732627	XWUCAQVWKFLOFS-LRQZKABGSA-N	332.425	2.020	50	40	EEGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1	408908738	RSOFBGSZGAVBTP-TYSUYXETSA-N	339.395	2.494	50	40	EEGB	
CC(C)(CCl)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1	5314817	RWDNSOQGTMMTRJ-UHFFFAOYSA-N	330.837	2.430	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(Cl)cc12	50556	JIMOGQJRTRFRLC-KRWDZBQOSA-N	341.754	2.261	50	40	EEGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1	351056	ZXWGAESYTOVIRD-AWEZNQCLSA-N	330.340	2.046	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1	523316	XPJJTOLOUZCUFI-UHFFFAOYSA-N	329.425	2.394	50	40	EEGB	
CCN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)C[C@H](CCl)O3	12504776	JBBUURHWECSQGK-MRVPVSSYSA-N	346.822	2.054	50	40	EEGB	
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	3885269	QXONNIUCGZWLQX-UHFFFAOYSA-N	337.228	2.302	50	40	EEGB	
COCCOC(=O)/C(C#N)=C/c1cccn1-c1cccc(C(=O)O)c1	4674081	XAVYKHRDJYCACY-SDNWHVSQSA-N	340.335	2.272	50	40	EEGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1	7096219	WEZYRRUKFMWIOE-QTCOBDOFSA-N	348.406	2.281	50	40	EEGB	
Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)c1ccccn1	12534175	PYGUXUVHNCWMAG-UHFFFAOYSA-N	334.379	2.250	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)C[C@@H]2O	16805085	SLJZDUYMZZFUJQ-QUUGICFESA-N	332.400	2.125	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(OC)c1	6736103	RKOVWZTYHZJLJS-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O	102202094	FTTSTKILMGSBSU-SDADXPQNSA-N	336.432	2.241	50	40	EEGB	
CSC1=N[C@@](NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1	101426344	LDOKECDTMHWZEJ-ZDUSSCGKSA-N	346.239	2.074	50	40	EEGB	
O=P(O[C@@H]1C=CS(=O)(=O)C1)(c1ccccc1)c1ccccc1	100935465	ZLUCOUMJPLRWBI-CQSZACIVSA-N	334.333	2.243	50	40	EEGB	
C=CCN1C(=O)[C@@H](Cc2ccc(Cl)cc2)S/C1=N/NC(C)=O	1453045	MVPPWODZOLPSCD-MIKWNVPKSA-N	337.832	2.420	50	40	EEGB	
CN(NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1	45055277	AJCKRVUZFJAQNC-UHFFFAOYSA-N	327.384	2.299	50	40	EEGB	
Cc1ccc(OCC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4656600	VKOBYCVAIPAHBV-UHFFFAOYSA-N	346.299	2.334	50	40	EEGB	
O=C(N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21)C1CC1	223740247	ZSCAXHRHXFKKDD-LGMDPLHJSA-N	335.816	2.032	50	40	EEGB	
C=CCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21	5545144	OMPIACCOHLKUEW-QOCHGBHMSA-N	349.390	2.427	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)c([N+](=O)[O-])cc1OC	95548	VFBDDFMMZBDWBQ-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1	9189554	AXTSMASZRKCEOQ-NSHDSACASA-N	328.825	2.020	50	40	EEGB	
CC(C)c1n[nH]c(=S)n1CCNC(=O)/C(C#N)=C\c1ccco1	74261156	GQFFNMWZLAOTFH-FLIBITNWSA-N	331.401	2.380	50	40	EEGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1	13154375	ODOVKNGYPBONMS-XACIZNRCSA-N	343.408	2.260	50	40	EEGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	408719766	RAJRDEZCGOJCKG-CAOOACKPSA-N	349.730	2.352	50	40	EEGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cccnc1	408719779	RUBSWVULTCPFLO-FRKPEAEDSA-N	336.145	2.019	50	40	EEGB	
O=C(CCl)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O	3308495	KLENFLGDRYZRJC-YRNVUSSQSA-N	342.779	2.217	50	40	EEGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(Cl)ccc1O	3081789	JQMNLQXDNMCDLB-DNTJNYDQSA-N	349.749	2.065	50	40	EEGB	
N#C[C@H](/C(=N\NC(N)=O)C(=O)[C@@H](C#N)c1ccccc1)c1ccccc1	104285876	GBRSKFAVFMUQFI-HLLRUYOVSA-N	345.362	2.195	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	5222314	CYFQISCJXVDVMA-MIQLPHMESA-N	326.352	2.375	50	40	EEGB	
O=C(CNC(=O)c1cccs1)N/N=C/c1c(F)cccc1Cl	4086448	PTVFYTZVHAFIGQ-CNHKJKLMSA-N	339.779	2.421	50	40	EEGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	7813083	OYVDUHYNSZNYQK-LPYMAVHISA-N	347.374	2.312	50	40	EEGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1C(F)(F)F	59459558	MYZMYCDZYUBNGU-SSDVNMTOSA-N	349.312	2.472	50	40	EEGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1	59515982	BDMVGFQNCXJDRI-RGVLZGJSSA-N	345.786	2.115	50	40	EEGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	409104146	FDCVJGMOTNTAFN-LICLKQGHSA-N	328.328	2.130	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O	5381976	IJDOGOTZSCOXPC-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2	8141192	URGHYYHTIRIGGZ-UHFFFAOYSA-N	338.363	2.369	50	40	EEGB	
COc1ccc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)c(OC)c1	20518443	VPCLPYBFDQRHGF-CYBMUJFWSA-N	345.424	2.348	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2scnc2C)cc1	58996215	OATWEDCROGGFQW-UHFFFAOYSA-N	332.429	2.373	50	40	EEGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccs1	22591604	JOXNGBVJZJQWAV-UYRXBGFRSA-N	342.468	2.016	50	40	EEGB	
C/C(=N\NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)C(C)(C)C	408906571	HPOBNLODAPOGPW-LMEYLDQESA-N	339.461	2.379	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	585388	NOYVNBDTZNSXMI-XDHOZWIPSA-N	328.368	2.405	50	40	EEGB	
Cc1nc(C)c(CC(=O)NNc2ccccc2C(F)(F)F)c(=O)[nH]1	31277295	ULLYURPIDBFIDT-UHFFFAOYSA-N	340.305	2.091	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1	2628320	XFNMQXGZJDEALW-UHFFFAOYSA-N	348.786	2.361	50	40	EEGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccco1	100523045	DWGODOYVOVDFLR-RGVLZGJSSA-N	342.355	2.373	50	40	EEGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1	2281570	AXKRNDHSHLKUJV-SRZZPIQSSA-N	334.379	2.356	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2C(=O)O)n1	4502903	LQNJKAUQCLNCBP-CAOOACKPSA-N	344.396	2.034	50	40	EEGB	
Cc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3ccco3)c2)[nH]n1	18254661	UFLDJWQXONMZOY-VCHYOVAHSA-N	338.323	2.294	50	40	EEGB	
CCCCNC(=S)NNC(=O)c1ccc2c(c1)nc(C)n2CC	12578562	RFVXPXLPOHEYME-UHFFFAOYSA-N	333.461	2.274	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1	60512749	HHBJKRPWITYONX-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)N/N=C/c1ccc(F)s1	252486442	HLICUDRCALVROT-RQTLQMQPSA-N	325.325	2.012	50	40	EEGB	
CC(C)(C)OC(=O)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21	97991332	JYTRSTDZXAYUJX-WJDWOHSUSA-N	328.365	2.232	50	40	EEGB	
Cc1[nH]nc(O)c1CCC(=O)N/N=C/c1c(C)[nH]c2ccccc12	55509	SAVZHHHCEHNLPY-GIJQJNRQSA-N	325.372	2.296	50	40	EEGB	
COC(=O)[C@H]([C@@H](Br)C(=O)OC)C(Cl)(Cl)Cl	1724521	CNHXIIKKCWIXGZ-IUYQGCFVSA-N	342.400	2.082	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1O	109710667	KNKNFQMPVYZATI-WQRHYEAKSA-N	343.339	2.392	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	59391822	CMUBBZRGOQNNPZ-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
NC(=O)[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	26223247	WMSVAKPORPTCSJ-SFIVQVFOSA-N	327.428	2.050	50	40	EEGB	
O=C(N/N=C/c1ccco1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409166876	GAWGORZNMXRQEX-PBFYJAPKSA-N	331.759	2.436	50	40	EEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	408763275	OUIFDKRGANJYDZ-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
CSC[C@](C)(O)CNC(=O)[C@]12CC[C@@H](C[C@@H]1Br)C2	195545407	XNRQWJXGVUBBRU-DJIHRAIXSA-N	336.295	2.170	50	40	EEGB	
Cc1ccc(S(=O)(=O)Sc2nnnn2-c2ccccc2)cc1	5573037	HWMPKARRBLRUAN-UHFFFAOYSA-N	332.410	2.452	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccncc1	102090667	VAVGZYFBRIMTER-CQSZACIVSA-N	329.315	2.223	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(O)cc1	3470995	FDBQXWVXOKTNBU-GZTJUZNOSA-N	331.397	2.054	50	40	EEGB	
COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)ccc1O	83313410	NMUIJJSXGFTHJM-IYSPOMMRSA-N	328.368	2.365	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)o1	26180280	PCCZEMBZANGTTB-UHFFFAOYSA-N	336.436	2.150	50	40	EEGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccco2)cc1	100522646	GDCDLLFWQWHOCT-XDHOZWIPSA-N	329.356	2.100	50	40	EEGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccccc3)cnc2s1	1784377	CUDNHWJVAFJDCO-DJKKODMXSA-N	340.408	2.171	50	40	EEGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cc(O)cc(O)c1	17067434	YUOUBFHMNSBDQV-LICLKQGHSA-N	329.312	2.468	50	40	EEGB	
N#CC(C(=O)COC(=O)c1ccccc1O)=C1Nc2ccccc2N1	6537519	KCQPATZQEJVHSB-UHFFFAOYSA-N	335.319	2.391	50	40	EEGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(N)=O)c1	409225043	LSTVRJINBZGMHT-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
CCc1cccc(C)c1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	217378792	XIOKMQYXNGLVMZ-CYBMUJFWSA-N	329.849	2.316	50	40	EEGB	
Cc1sc2ncn(CC(=O)N/N=C/c3cccs3)c(=O)c2c1C	958268	CCIIDNHNGVFVDN-UBKPWBPPSA-N	346.437	2.287	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O	17070732	FTTSTKILMGSBSU-LQKXBSAESA-N	336.432	2.241	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC#N	3574593	FYGDSXJIHSOZEN-YBFXNURJSA-N	325.324	2.067	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cn1	4955656	RMHSEZJEJJFMQC-REZTVBANSA-N	334.719	2.421	50	40	EEGB	
CC[C@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1	30143893	STORGTUVCMOUKD-BWVAZPDUSA-N	338.411	2.268	50	40	EEGB	
COC(=O)[C@H](Br)[C@H](C(=O)OC)C(Cl)(Cl)Cl	1724520	CNHXIIKKCWIXGZ-QWWZWVQMSA-N	342.400	2.082	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1	408970346	GNYZAXXYXVZKOV-VXLYETTFSA-N	339.351	2.090	50	40	EEGB	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1	98053062	FBWOZAQOJXFZLL-BVRAVYJCSA-N	342.355	2.366	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@H]2C1	226515	HMHOHNATOAWTIG-ROUUACIJSA-N	344.422	2.217	50	40	EEGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	12812149	KQXRGNFXQKIMTJ-UHFFFAOYSA-N	336.438	2.169	50	40	EEGB	
Cn1cccc1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1	32010854	UEZUACNRONEXDD-HDOAHBKWSA-N	335.363	2.468	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1	107865437	WMHPIABSJUSKMC-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCCC3)o2)cc1	408846813	SFYZTWNWRPKMTC-UNOMPAQXSA-N	343.383	2.418	50	40	EEGB	
CN1C(=O)[C@]2(C[C@@H](I)CO2)c2ccccc21	26897527	CWBDOKADQITBKQ-PELKAZGASA-N	329.137	2.082	50	40	EEGB	
COC(=O)C1=C(C(C)=O)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	66089408	FMUNOEISTGYQSF-ZDUSSCGKSA-N	332.743	2.164	50	40	EEGB	
O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1O	3132068	AHGYABNGGBEPRY-YBFXNURJSA-N	329.331	2.400	50	40	EEGB	
C/C(=N\NC(=O)CC1(C)OCCO1)c1cccc(Br)c1	15226182	KHAFEFALSDCMMY-MHWRWJLKSA-N	341.205	2.442	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OC	4714670	CJMPKOBKQIVARG-CPNJWEJPSA-N	331.416	2.196	50	40	EEGB	
O=C(COc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1O	566554	OWMIVVDQNIQJIC-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
O=C(COc1ccc2c(c1)CCC(=O)N2)NNc1ccc(F)cc1	44248784	ALHKCRQXSLQOMC-UHFFFAOYSA-N	329.331	2.233	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C	6207551	UYAWWUJHROGEJV-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O	5618269	BVYVHAGFLZFSNE-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
C[C@]1(c2cccc(N(CCCl)CCCl)c2)NC(=O)NC1=O	1763099	YGFQWHAWIKSSER-CQSZACIVSA-N	330.215	2.025	50	40	EEGB	
O=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccc(Cl)cc1	9189555	AXTSMASZRKCEOQ-LLVKDONJSA-N	328.825	2.020	50	40	EEGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2ccccc2O)c(C)c1C#N	408721993	NSCXGIHQYILIMN-QGMBQPNBSA-N	342.380	2.356	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	582519	AZEQZUYAMOEFQZ-LICLKQGHSA-N	326.312	2.317	50	40	EEGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@@H]1c1ccccc1	6496137	ISIZRKJTLPPPCJ-CQSZACIVSA-N	341.436	2.381	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccnc1	4180438	TWVCSGAIWZQENO-YBFXNURJSA-N	339.355	2.354	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1OC	5401486	DYWFXVYLGUVYBI-YBFXNURJSA-N	338.367	2.424	50	40	EEGB	
CCc1c(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)csc1C	2765081	ZJXPRCJMWZNCSR-NEPJUHHUSA-N	336.413	2.047	50	40	EEGB	
COc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3F)cc2c1	9095106	QTVMWHRULJUIBC-UHFFFAOYSA-N	327.315	2.390	50	40	EEGB	
CCOc1ccccc1C(=O)NNC(=O)COc1cccc(C)c1	12784899	DKSQEGQLMWVYSQ-UHFFFAOYSA-N	328.368	2.234	50	40	EEGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1c1ccccc1	192301	OVFDHKGBFHKINA-LBPRGKRZSA-N	339.189	2.253	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1	2630820	COMFIOSYJAYWJI-UHFFFAOYSA-N	347.802	2.246	50	40	EEGB	
C/C(=N\NC(=O)C1CC1)c1ccc(/C(C)=N/NC(=O)C2CC2)cc1	5381465	XHUPUHZYAUASFS-AYKLPDECSA-N	326.400	2.187	50	40	EEGB	
Cc1nc(SCC(=O)NNC(=O)c2ccccc2F)nc(C)c1C	14119621	TYBDTGGVEMSSID-UHFFFAOYSA-N	348.403	2.094	50	40	EEGB	
CCOC(=O)/C(=C/NNC(=O)c1ccccc1)C(=O)c1ccccc1	408892228	HLOZBOZFSJPSRO-DTQAZKPQSA-N	338.363	2.251	50	40	EEGB	
COc1ccc(CC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1	32100007	DRLLPQXGLAAJDA-UHFFFAOYSA-N	342.317	2.428	50	40	EEGB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1	225500674	USNZPFRDJSIZDJ-UHFFFAOYSA-N	339.804	2.053	50	40	EEGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1	5543174	QBFGMWMCOCVJGX-PVGUKEHMSA-N	339.395	2.331	50	40	EEGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(F)cc1	5574109	FXTMBOBNWPCHOG-IFRROFPPSA-N	341.264	2.157	50	40	EEGB	
O=C(N/N=C/c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1	5750323	NDRMWYCVTVSCAR-LICLKQGHSA-N	327.296	2.130	50	40	EEGB	
CC1(C)[C@]2(C(=O)N/N=C/c3ccc(O)cc3O)CC[C@@]1(C)[C@@H](O)C2	1448384	SLJZDUYMZZFUJQ-CYGDVXTCSA-N	332.400	2.125	50	40	EEGB	
CO[C@@H](C(=O)NNC(=O)COc1ccc(Cl)cc1)c1ccccc1	4713276	ORBLIRUYCFUUST-MRXNPFEDSA-N	348.786	2.254	50	40	EEGB	
COCCCNC(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C	6763622	MZPJXEDZMIUQEJ-KMUNFCNLSA-N	346.265	2.298	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	492409	LXLGBIDYYRMQHE-GJZGRUSLSA-N	325.324	2.160	50	40	EEGB	
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNc1ccc(Cl)cc1	102851582	DPEYBJYSCJTNFT-ZIAGYGMSSA-N	347.802	2.124	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(N(C)C)cc2)n1	12465656	XIMJIOSLUATJTJ-UHFFFAOYSA-N	343.456	2.402	50	40	EEGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	100176943	SPAIGCYAYRPRTJ-XPAHXXQJSA-N	333.344	2.282	50	40	EEGB	
C#CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	34720760	FDWBOERTDSFETQ-UYRXBGFRSA-N	337.335	2.300	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	59099	OQGDEBZOHRVCKS-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C\c2cccc(Br)c2)n1	48314023	RPMLSLHXKLOFCW-POHAHGRESA-N	345.204	2.346	50	40	EEGB	
CCOC(=O)c1[nH]c(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1C	6024569	CZRGLEKSNOJUMU-CYBMUJFWSA-N	341.371	2.058	50	40	EEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/C=C/c1ccccc1	3033943	PKJQAICHDKKSNC-CIOYMBLNSA-N	332.367	2.156	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1O	108209270	JWGIHURESVSMSM-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1	75920587	ISXYFXUFGODWFO-WZRBSPASSA-N	342.317	2.135	50	40	EEGB	
CCNC(=O)N(C)NC(=O)c1occc1COc1cccc(C#N)c1	95983227	MXEIZJLGUQOPBQ-UHFFFAOYSA-N	342.355	2.036	50	40	EEGB	
CNc1ccc(/C=N/NC(=O)COc2ccccc2F)cc1[N+](=O)[O-]	33045682	USEPHIXDBVOXLX-DJKKODMXSA-N	346.318	2.305	50	40	EEGB	
Cc1ccccc1C(=O)N/N=C1\SCC(=O)N1Cc1ccco1	1223361	UQIJVQSEXZQNJW-VLGSPTGOSA-N	329.381	2.364	50	40	EEGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1	1011423	KDPKBERYQXKKSV-YBFXNURJSA-N	325.324	2.487	50	40	EEGB	
COc1cccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)c1O	7993540	APEAVMPIAYPKFV-VXLYETTFSA-N	338.367	2.209	50	40	EEGB	
CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1	3162113	WRAZGGMLZTVNRW-ADFUCPMPSA-N	329.312	2.138	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@H]2C1	481861	DUWXQJJAEFVDQG-ROUUACIJSA-N	344.422	2.217	50	40	EEGB	
CCOc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1	3292598	HLPGIQOACLLNBS-UHFFFAOYSA-N	328.368	2.315	50	40	EEGB	
COc1ccccc1OCC(=O)NNC(=O)C[C@H](C)c1ccccc1	7779044	IGHRDAPQHGQJQO-AWEZNQCLSA-N	342.395	2.415	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(CN2CCOCC2)o1	19994442	VIWLDPVVGGROBD-LICLKQGHSA-N	333.413	2.246	50	40	EEGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc([N+](=O)[O-])c1O	35739725	DPGLFDLZZANNTD-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1cccc([N+](=O)[O-])c1	5070594	GAIWRSFRPKJRSK-LICLKQGHSA-N	343.368	2.387	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	2745369	ZKFQSSZSFVHFIU-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(O)cc1	20086063	UIUYILNZBJRPDZ-MRXNPFEDSA-N	345.358	2.462	50	40	EEGB	
COc1cc(-c2nc3cc(C(=O)NN)ccc3o2)cc(OC)c1OC	216794446	NDYAXAFUQOVMTQ-UHFFFAOYSA-N	343.339	2.124	50	40	EEGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cnc2sccc2c1	583651944	WNQJIFCTJIUEOQ-UHFFFAOYSA-N	327.431	2.042	50	40	EEGB	
CC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2	32878693	RJJKZAVZWPIQRM-UHFFFAOYSA-N	330.363	2.061	50	40	EEGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(Br)c1	59333928	LUWQJBYGBAJLGS-XFFZJAGNSA-N	334.173	2.347	50	40	EEGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1	59434183	KOYBODAFDTWXCJ-LICLKQGHSA-N	345.380	2.014	50	40	EEGB	
C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	14232541	BBEPAWCXLNGQNG-LLVKDONJSA-N	344.392	2.357	50	40	EEGB	
CCOc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1OCC(=O)O	409369638	SYWVVFDXGZRUEQ-GXDHUFHOSA-N	344.367	2.078	50	40	EEGB	
COc1cccc(/C=N\NC(=O)c2cccs2)c1O[C@H](C)C(=O)O	409237437	WUEJYHLWMXCDAX-LGQZLYSRSA-N	348.380	2.373	50	40	EEGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	8217749	UBYWZJWLDCEHDI-UDWIEESQSA-N	339.395	2.240	50	40	EEGB	
O=[P@](NCCCO)(OCCCl)N(CCCl)CCCl	1999547	FQWNGSKQHPNIQG-GOSISDBHSA-N	341.603	2.102	50	40	EEGB	in-man
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1	8996093	PYTKKWBFMKQUSK-LBPRGKRZSA-N	346.408	2.330	50	40	EEGB	
N#CC1=C(N)NC(S)=C(C#N)C12CCN(Cc1ccccc1)CC2	20814485	LTCHJMPXOLNGCB-UHFFFAOYSA-N	337.452	2.231	50	40	EEGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F	2662977	VLBGCLBAYOHUCX-UHFFFAOYSA-N	349.343	2.287	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(O)c1	549073	BOBBZWIZFUEHIK-OXNWSPOFSA-N	342.351	2.081	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1	59773924	STLCRDVMROACFH-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
CC[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1cc([N+](=O)[O-])cn1	252484606	GAJPVTLOHIFCSU-XPWNQWCVSA-N	325.325	2.093	50	40	EEGB	
Cc1nn(CCC(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-]	252502380	UPIRAJYMUIBGRC-VIZOYTHASA-N	339.352	2.149	50	40	EEGB	
C/C(=N/NC(=O)C[n+]1ccccc1)c1cccc(Br)c1	5826591	IVLUOXPRCJOXTA-ATVHPVEESA-O	333.209	2.277	50	40	EEGB	
COc1cccc(/C=N\NC(=O)CCn2cnc3ccccc32)c1O	30743108	MFPMSIIOJFDTFF-JAIQZWGSSA-N	338.367	2.291	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1	12292668	WUPNHWXLRUXSAT-AWEZNQCLSA-N	342.395	2.161	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Oc2ccccc2)cc1	20243983	KWPMQHBKMBOGLW-XSFVSMFZSA-N	339.395	2.261	50	40	EEGB	
COc1ccccc1[C@H]1Nc2nc(C(F)(F)F)nn2C(N)=C1C#N	4292519	XBELYZJJCWTIPV-SNVBAGLBSA-N	336.277	2.123	50	40	EEGB	biogenic
CCOc1cc(/C=N\NC(=O)Cc2cccs2)cc([N+](=O)[O-])c1O	30738432	UQLDZRHLPQXNLQ-SXGWCWSVSA-N	349.368	2.453	50	40	EEGB	
COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NN)cc1OC	291631	DROPUYXEHMTYKI-UHFFFAOYSA-N	349.774	2.213	50	40	EEGB	
O=C(CCOc1ccccc1)NNC(=O)COc1ccc(Cl)cc1	1808098	SKVSMXQRKAXGQM-UHFFFAOYSA-N	348.786	2.335	50	40	EEGB	
CCOC(=O)/C(C#N)=C/NCc1nn(-c2ccccc2)c2c1CCC2	102140263	XIDLMQHPVTUFNV-WYMLVPIESA-N	336.395	2.421	50	40	EEGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2o1	6310410	ZEOJYWAGUOVHJL-MRXNPFEDSA-N	338.319	2.034	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccc(C)c1	5375394	WQHADTFFCLXGTJ-QGZVFWFLSA-N	342.351	2.116	50	40	EEGB	
CC(=O)NNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1	55412840	ZVRSVCDWKZDLKQ-UHFFFAOYSA-N	340.408	2.408	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC[C@H]1C2)N/N=C1\C[C@H]2CC[C@H]1C2	103917268	OQRHGVOIXFORFS-DFSLMAFMSA-N	330.432	2.351	50	40	EEGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1S	14081298	UWHFJIGSLBRPBK-UHFFFAOYSA-N	331.441	2.348	50	40	EEGB	
C/C(=N/OCC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1	5479928	GGLSTTAAZVFYSW-DIMMIWMSSA-N	339.351	2.306	50	40	EEGB	
O=C(NN[C@H]1OC(=O)c2c#cccc21)c1ccc(Br)cc1	102813343	KITNSHZLZUAFOK-AWEZNQCLSA-N	345.152	2.153	50	40	EEGB	
CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3ccc([N+](=O)[O-])cc3[C@@H]12	103604507	VYCRXGLXYJBRMH-HNNXBMFYSA-N	344.323	2.312	50	40	EEGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccn1	108904754	ULCYLIUXGWDWTM-SRZZPIQSSA-N	330.347	2.345	50	40	EEGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccccc1-n1cccc1	3232716	VDTVFUVTFYHNGO-YBFXNURJSA-N	337.335	2.358	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(OC)c1	60512587	AWXJGCKGOMWUNA-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
CC(C)(C)[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C(N)=O	75110964	CEJQZFHBFXLEOL-CYBMUJFWSA-N	346.880	2.036	50	40	EEGB	
O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1	5944446	JNBFXYUQTAGKIH-UHFFFAOYSA-N	344.714	2.334	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1	246062	VVSMZYVQEGJDGA-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)c1ccccn1	29402584	FFGSMPWQDFQQGG-UHFFFAOYSA-N	328.353	2.181	50	40	EEGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1	1004527	BBVLPDQQCCASOC-HNNXBMFYSA-N	344.367	2.349	50	40	EEGB	
CCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	5297136	UWOZGVSFBGMRFI-GHMZBOCLSA-N	334.445	2.055	50	40	EEGB	
Cc1cc(C(=O)N/N=C/c2cc(Br)cc(C)c2O)[nH]n1	5687164	PCYWPTDCNGULEE-GIDUJCDVSA-N	337.177	2.259	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OC	408967014	ORZDVMDTALFVAQ-KEBDBYFISA-N	327.315	2.478	50	40	EEGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](C)C(C#N)=C(SCC(N)=O)N1	506944	FAZAVMKXPHAEQT-JTQLQIEISA-N	342.424	2.092	50	40	EEGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	7782126	AOTPVDPXHGCEBR-UDWIEESQSA-N	329.787	2.149	50	40	EEGB	
COCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C	27232802	MZPJXEDZMIUQEJ-NZVBXONLSA-N	346.265	2.298	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1F)c1cccc([N+](=O)[O-])c1	3132025	JHNYLUCNEDUXEH-LZYBPNLTSA-N	332.247	2.406	50	40	EEGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2ccccc21	32655525	GIDXDQLEQSHANC-CJMVGXJBSA-N	325.324	2.359	50	40	EEGB	
O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1	2630647	YFGQJRJJMSZDNG-QGZVFWFLSA-N	340.379	2.319	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1nccs1	25436188	WIDOHBYMFRRKFK-YRNVUSSQSA-N	329.337	2.152	50	40	EEGB	
CCOc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	14234826	PDCJBZQCAJJEQM-LBPRGKRZSA-N	346.358	2.453	50	40	EEGB	
N#CC1=C(N)SC(N)=C(C#N)C1c1cc(Cl)ccc1[N+](=O)[O-]	19848765	SYTIZDGZPXWLON-UHFFFAOYSA-N	333.760	2.466	50	40	EEGB	
O=C(N/N=C\c1cc(Cl)ccc1O)[C@H]1COc2ccccc2O1	13581806	ASWQHOBBWZNAFX-OADJVDCOSA-N	332.743	2.336	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	6947483	DBAHXPPSADAKCM-FYJGNVAPSA-N	337.379	2.018	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2C)cc1	2807097	ITYALYKBPQWJTB-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)C(=O)O	12504714	PHLMWWVJBZUKIX-XFFZJAGNSA-N	344.758	2.070	50	40	EEGB	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	408735933	ZMWSJXJOEICDEO-KMPOOHAWSA-N	328.368	2.065	50	40	EEGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408612940	XNHYRADNPPBFFR-FYJGNVAPSA-N	339.395	2.242	50	40	EEGB	
NC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	83318259	QBCIBRCJNGIVON-JMIUGGIZSA-N	337.335	2.061	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(OC)c1	107819597	BQKLOEICFPVKGI-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1	8973364	VKGINMOSKBSCDT-ZDUSSCGKSA-N	346.408	2.330	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1OC	581144	QMEKUTAZJCGIEW-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3O)CC2=O)cc1	327475	LWWGDOBOTZXJPC-BBJIBYMTSA-N	337.379	2.204	50	40	EEGB	
O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc2ccccc2n1	27825471	NUXOZUFQIXZFBG-UHFFFAOYSA-N	335.319	2.008	50	40	EEGB	
CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1CBr	3278170	IKDVFIWRFMOVDX-UHFFFAOYSA-N	335.223	2.104	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(N)=S)cc1OCC	408543771	QCPYXWCNBVFYPE-GHXNOFRVSA-N	334.397	2.220	50	40	EEGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C[n+]1ccccc1	16957732	AZRZZQZSPFEZEX-DEDYPNTBSA-O	345.810	2.148	50	40	EEGB	
COC(=O)[C@@H](Br)[C@H](C(=O)OC)C(Cl)(Cl)Cl	1724518	CNHXIIKKCWIXGZ-DMTCNVIQSA-N	342.400	2.082	50	40	EEGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])o2)cc1	408809069	HNGLGUIMIXUDKE-WQLSENKSSA-N	327.296	2.420	50	40	EEGB	
Cc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)cn1	4680481	AHRSVNNHDHNLSV-JAIQZWGSSA-N	335.367	2.354	50	40	EEGB	
C[C@@H]1CCN(CC(=O)NNC(=O)C2CCC2)c2ccccc2S1	84700102	DQTZYMZSCDDIFS-GFCCVEGCSA-N	333.457	2.325	50	40	EEGB	
CC/C(=N\NC(=O)CN1CCCCC1)c1ccc(OC)c(OC)c1	408720123	SSGGMTDKLGTQHE-XDJHFCHBSA-N	333.432	2.420	50	40	EEGB	
Cc1cc(C)c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1C	7429098	YCXNQPRIGBUZKB-RGVLZGJSSA-N	348.410	2.416	50	40	EEGB	
CCC1(C)COC(C)(CC(=O)NNC(=O)Nc2ccccc2)OC1	271462	RCYBBYJIEMAKIH-UHFFFAOYSA-N	335.404	2.409	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)c1	6563037	GLOINVPGNRAIQO-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)N2CCOCC2)cc1	59104811	KYZKRKLOVRKHHG-SQFISAMPSA-N	337.379	2.252	50	40	EEGB	
CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	1430756	UDWRIEDMCFNEKH-JTQLQIEISA-N	329.360	2.138	50	40	EEGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCCCN1CCOCC1	16791031	UWMPMDGFJYSNBM-NTCAYCPXSA-N	333.819	2.085	50	40	EEGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](C(C)C)C(C#N)=C(N)O2	37866273	RSKJSFRXAAQKPZ-INIZCTEOSA-N	336.395	2.426	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OC	4696402	HPTSTCVPBPBUQV-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
O=C(N/N=C/c1cccnc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	230073	FTZDJXXJYLAOMX-VCHYOVAHSA-N	336.311	2.144	50	40	EEGB	
COc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1	6569319	ILDVMRLPKAMOGB-UHFFFAOYSA-N	345.424	2.264	50	40	EEGB	
CCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1	12137282	LQIMJARAVIMCBP-UHFFFAOYSA-N	347.396	2.018	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1	4132205	HMTQWEGPJYVDEQ-FLIULEQJSA-N	327.409	2.036	50	40	EEGB	
C[C@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)C1CC1	65551499	RVHBFRRIRGIHCI-AWEZNQCLSA-N	345.443	2.111	50	40	EEGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1C	101518620	DNCVXNNBSLGKLO-VTPLQMEGSA-N	348.424	2.039	50	40	EEGB	
C=CCOc1c(Br)cc(/C=N/NC(N)=O)cc1OC	2751570	YBPMSBCGHZFOCN-VIZOYTHASA-N	328.166	2.025	50	40	EEGB	
O=C(NNC(=O)C1CC1)c1nc(-c2ccccc2)n2c1CCCCC2	47427675	HAQAAQGDYFEVOI-UHFFFAOYSA-N	338.411	2.448	50	40	EEGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)c(C)nc2c1	313375	GNMIDVDCWVJHHY-DJKKODMXSA-N	336.351	2.444	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccccc2C)c2ccccc21	12411992	SVKGJKHCDHRSCC-PYCFMQQDSA-N	336.395	2.294	50	40	EEGB	
COCc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC	372301	GRIGJNWLAPJNOL-OAHLLOKOSA-N	326.356	2.091	50	40	EEGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O1	351052	DGASLUPHSSJIQI-OAHLLOKOSA-N	344.367	2.349	50	40	EEGB	
CCc1[nH]nc2c1[C@@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2	8382712	GWVKOGFSVQRXCV-AWEZNQCLSA-N	326.356	2.207	50	40	EEGB	biogenic,in-vitro
Cc1cccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)c1	4599653	NWFBMLGMNFGXKF-ZHACJKMWSA-N	339.420	2.344	50	40	EEGB	
O=C(COc1ccccc1F)NNC(=O)Cc1c[nH]c2ccccc12	5823563	NCCYEFCDCNNUIO-UHFFFAOYSA-N	341.342	2.076	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl	3008747	BIMNRLSQKSJXJT-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)NC2CCCC2)cc1	4474836	OPBQSLYUQODKOY-CIAFOILYSA-N	344.415	2.200	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl	7782519	MBZSVZJVYQIDQH-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=S)Nc1ccccc1	1895002	QBDZBORHHQOUNN-UHFFFAOYSA-N	342.424	2.423	50	40	EEGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@@H]1c1cccs1	409138086	ZTKXFFNAMJRZKM-NSHDSACASA-N	347.465	2.442	50	40	EEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	408939157	MXZNOWDZQINNCX-DZUMZMOTSA-N	340.427	2.459	50	40	EEGB	
O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1ccccc1Cl	14135867	BGYUZSMDEYWBHS-UHFFFAOYSA-N	342.779	2.031	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1OC	34018	MSBHVPBOLIOIOR-CXUHLZMHSA-N	349.368	2.366	50	40	EEGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC	13747440	PTHCTZOBJVFFQX-VIZOYTHASA-N	330.182	2.249	50	40	EEGB	
N#C/C(=C/c1cn(CCC(=O)O)nc1-c1cccc(Cl)c1)C(N)=O	3273802	FGGRYUGORLXHNA-WDZFZDKYSA-N	344.758	2.070	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(C)=O	524496	CQGBKPMZTSBITA-XDHOZWIPSA-N	326.352	2.313	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)C(C)(C)c2ccccc2)cc1	25730201	SRHOFFCZFVXEKQ-UHFFFAOYSA-N	326.396	2.363	50	40	EEGB	
COc1cc(/C=N/NC(C)=O)ccc1OCc1cccc(C(=O)O)c1	59249273	GWALPZHMMHMHTE-VXLYETTFSA-N	342.351	2.442	50	40	EEGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccn1	12763134	BQCSLJXLQZPLJP-CYBMUJFWSA-N	335.363	2.463	50	40	EEGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)c2ccco2)c2ccccc21	20608616	UCBZAISOSYLHMI-MNDPQUGUSA-N	340.383	2.060	50	40	EEGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2c(c1)OCCO2	5611785	USAJMDZOMDHGHQ-YBFXNURJSA-N	336.351	2.178	50	40	EEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(C)cc1	59433932	CEHWTHCMBOWAFY-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
CC[C@H]1CCc2sc(C(=O)NNC(=O)Cc3cc(C)[nH]n3)cc2C1	12540654	GUOLLBWFSUWZKI-NSHDSACASA-N	346.456	2.298	50	40	EEGB	
NC(=O)N/N=C/c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1	4196573	AGQFZYNQCFHMEQ-WOJGMQOQSA-N	344.327	2.055	50	40	EEGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1	408915301	ZHPMQZQNEJPYSX-BRFSQIRFSA-N	329.356	2.087	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c([N+](=O)[O-])cc1OC	559797	AGCRRQGNKYOWFP-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Br)o1	1020962	XZIFUAZZGMVFRI-CAOOACKPSA-N	348.156	2.443	50	40	EEGB	
O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	3139838	UOHOEUDIPWJQPH-LICLKQGHSA-N	329.312	2.089	50	40	EEGB	
Cc1[nH]nc2c1[C@@H](c1ccc3c(c1Cl)OCO3)C(C#N)=C(N)O2	499811	DYNJPGQQXVSVFR-NSHDSACASA-N	330.731	2.318	50	40	EEGB	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc(C(C)(C)C)o1	69630063	GFAKYGFLNXVSNU-VIFPVBQESA-N	328.438	2.041	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1	8345886	DLKNILKXXFXKJS-XDHOZWIPSA-N	338.323	2.386	50	40	EEGB	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)NC[C@H]1CCCO1	17070549	NBKHKDIWXZZKMN-CSXHZRMWSA-N	334.759	2.271	50	40	EEGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1	5758135	CEMQVKAEUMRRQJ-UHFFFAOYSA-N	332.276	2.156	50	40	EEGB	
COc1ccccc1[C@@H]1Nc2nc(C(F)(F)F)nn2C(N)=C1C#N	4292520	XBELYZJJCWTIPV-JTQLQIEISA-N	336.277	2.123	50	40	EEGB	biogenic
O=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)F	100048690	YOESRXYSDZQSHW-UHFFFAOYSA-N	326.042	2.383	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@H]2C1	988980	DUWXQJJAEFVDQG-ZWKOTPCHSA-N	344.422	2.217	50	40	EEGB	
CCCCN(CC)C(=O)NNC(=O)[C@H](C)Oc1ccc(C#N)cc1	9460100	QTJKSSKGVGIFCG-ZDUSSCGKSA-N	332.404	2.188	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	2165552	IONBUWKIHMJWIW-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Cl)c1	18241826	IXOMHPDEPRMKFN-CYBMUJFWSA-N	330.727	2.004	50	40	EEGB	biogenic,in-vitro
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1F	408974235	XUIRDZIKSMVCCN-XYHOIZSOSA-N	339.370	2.292	50	40	EEGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1)c1ccccc1	4544452	BPXMYHJFOHJNCK-FMNVXAMXSA-N	349.390	2.335	50	40	EEGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1	569212	ODXTWEZEJAOSRY-UHFFFAOYSA-N	325.733	2.385	50	40	EEGB	
CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	6324095	AXQWJHZQOMXFEU-CYBMUJFWSA-N	329.425	2.285	50	40	EEGB	
COc1ccc2c3c1O[C@@]1(C)[C@@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393471	WZEWESPKYJQUSE-GLUGTNLDSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
COc1ccc(C(=O)NNC(=O)NCc2cccc(C)c2)cc1OC	12945843	QMEIYFQHGQRJFZ-UHFFFAOYSA-N	343.383	2.156	50	40	EEGB	
COC(=O)N1CCC(NC(=O)NNc2ccccc2Cl)CC1	66361176	OFBDOFGLXFKYAA-UHFFFAOYSA-N	326.784	2.197	50	40	EEGB	
Cc1cc2nc(CC(=O)N/N=C\c3ccccc3)c(=O)[nH]c2cc1C	32136149	PNCNEGFJXDNWRP-JAIQZWGSSA-N	334.379	2.233	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1OC	5918746	QSUITAPYOFYAGW-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c(OC)c1	5549174	CSKKYAYWMHZAFH-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1	59516234	GGSPKSXUTPQZFV-DQAKUKQTSA-N	343.358	2.162	50	40	EEGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3141024	NGVPFGTWMVTRNU-UHFFFAOYSA-N	344.714	2.334	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1	5847980	MMHFIMVWQGGKJL-UGUYLWEFSA-N	344.411	2.318	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	5513556	ZSDBYRYZBCJUFC-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3)c12	21995137	PRMNIAYORLKBLI-UHFFFAOYSA-N	336.351	2.483	50	40	EEGB	
N#CCC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1	509713	PBMANURMEMXPOD-RGVLZGJSSA-N	337.335	2.328	50	40	EEGB	
CCOc1cc2c(cc1/C=N/NC(=O)c1cccc(O)c1)OCO2	409101062	PENQFNRLCFCNMD-GIJQJNRQSA-N	328.324	2.284	50	40	EEGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(N)=O)cc2)c1	409006963	LTDVBOYCFXREPP-GRSHGNNSSA-N	326.356	2.015	50	40	EEGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1	33605772	DWPPVKJAWQXEBD-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
BrC[C@@H]1CN[C@](Br)(N2CCCC2)S1	19322549	AAPPGZFVOPDKSC-HTQZYQBOSA-N	330.089	2.188	50	40	EEGB	
O=S1(=O)CC[C@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	169680110	XZWWZQICRWKCLV-YWIQKCBGSA-N	332.057	2.111	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c1	169878602	FUWIHDIFZNUKPW-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CCn2nc(C)cc2C)cc1OC	501745	GGXRRIVGQIHXEX-XMHGGMMESA-N	344.415	2.448	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)NCc2ccc(-n3cccn3)cc2)cc1	46900455	NRVWUXIQGIGPLW-UHFFFAOYSA-N	349.394	2.325	50	40	EEGB	
CCOC(=O)/C(C#N)=C\N1CCN(C(=O)CCCl)c2ccccc21	31659707	RVHCRFPJSKYOMB-SEYXRHQNSA-N	347.802	2.439	50	40	EEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O	35183175	FGZZXOOVGRTCHR-NTEUORMPSA-N	348.362	2.108	50	40	EEGB	
COc1cc(-c2cc(C(=O)NN)[nH]n2)ccc1OCc1ccccc1	40217061	RVMMNFPGAYDPRB-UHFFFAOYSA-N	338.367	2.268	50	40	EEGB	
N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(F)cc1	16034554	CKCOWOWSPHMETP-HUUCEWRRSA-O	326.376	2.233	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])o1	1316276	VYXYIKGCFFTKIH-CYBMUJFWSA-N	328.328	2.212	50	40	EEGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)OCC	59334789	AEEITKVJCKIFDQ-WJDWOHSUSA-N	342.395	2.352	50	40	EEGB	
CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCl)cc1	3012589	NVSAKZLFSRVUKE-UHFFFAOYSA-N	325.840	2.326	50	40	EEGB	
C[N+](C)(C)C/C=C(/Br)[C@H](Br)C[N+](C)(C)C	1791433	KFHVOPGJUKKXCA-PFEDMVJOSA-N	344.135	2.441	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1	5549085	IIVGRAAUTXJXOA-VAWYXSNFSA-N	339.420	2.344	50	40	EEGB	
CC1=C(C(=O)c2ccccc2)[C@H](C)C(C#N)=C(SCC(N)=O)N1	20158363	JYVWHRRVRHRHSH-SNVBAGLBSA-N	327.409	2.336	50	40	EEGB	
C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])s1)n1nnc2ccccc21	124508	IZNWVVRGIHPLKZ-HVIDBACLSA-N	344.356	2.112	50	40	EEGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(C)=O)c2ccccc21	89401	WTIWADQMHLYONZ-LJQANCHMSA-N	335.363	2.044	50	40	EEGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1[N+](=O)[O-]	107709859	MWGMDNDMURERRY-YBEGLDIGSA-N	328.284	2.196	50	40	EEGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccccc1	4196582	NOFPBNKDXZMVGD-XDHOZWIPSA-N	329.356	2.155	50	40	EEGB	
N#C/C(=C/c1ccco1)C(=O)NCCCNC(=O)c1cccc(F)c1	71896652	XUZWWXRRCNOVND-KAMYIIQDSA-N	341.342	2.262	50	40	EEGB	
CC/C(=N\NC(=O)CN1CCCCC1)c1ccc2c(c1)OCCO2	408719860	NNKNKDMMNUCBKD-XDJHFCHBSA-N	331.416	2.174	50	40	EEGB	
CC(C)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(F)cc2)n1	120532406	MEHCJHWVCVACRL-UHFFFAOYSA-N	336.754	2.467	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2c(C)nc3sccn23)ccc1O	313382	QVRJJJYOIVRRJQ-LZYBPNLTSA-N	330.369	2.182	50	40	EEGB	
O=C(CSc1nc2ccccc2o1)NNC(=O)Cc1ccccc1	5772904	WEQACAMZGIQSDT-UHFFFAOYSA-N	341.392	2.310	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c1O	5542442	AZVMCLCGXRMFRM-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
CC(C)(C)c1[nH]nc2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	4149792	CXGBFCSVNUDELH-GOSISDBHSA-N	335.367	2.032	50	40	EEGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2C)c1O	18194684	RZGXDUPRYHFPFE-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
CN1C(=O)/C(=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21	197735	NMBSSGBCDFKLTJ-SILNSSARSA-N	343.770	2.216	50	40	EEGB	
CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@H]2c1ccc(F)cc1	125999	DKCUIKBMDZMUKB-LLVKDONJSA-N	328.303	2.242	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	491596	WMRPCQFBQDDVTL-UHFFFAOYSA-N	343.339	2.052	50	40	EEGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cccs1	9882831	ZYLGAZFBRZEXAM-UHFFFAOYSA-N	328.397	2.121	50	40	EEGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1	216960704	ZAUBSTQFNFUXOP-UHFFFAOYSA-N	338.323	2.150	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2cccs2)cc1OC	512757	KJGKLBVMOXSRQL-SOFGYWHQSA-N	332.381	2.240	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(F)c2)cc1C	8941202	LGTQVNCXACWEKP-UHFFFAOYSA-N	330.359	2.211	50	40	EEGB	
Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCC1	3885238	GZAZDTFCWMTGCR-UHFFFAOYSA-N	330.837	2.347	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccncc2)cc(OC)c1O	6569044	NMEYZQVLGNGDIZ-VGOFMYFVSA-N	339.351	2.028	50	40	EEGB	
N#C/C(=C/c1ccccc1)C(=O)NCCn1c(S)nnc1C1CC1	584908732	VMUAWJZGEHVPFJ-UVTDQMKNSA-N	339.424	2.168	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1O	381187	YMTGZUNSFBHZSU-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	218700	YNTXYGNUCPDXHA-GJZGRUSLSA-N	325.324	2.160	50	40	EEGB	
CC1(CC(=O)N/N=C/c2ccc(Br)cc2)OCCO1	4481648	JOTIJDXOUFAHSY-OQLLNIDSSA-N	327.178	2.052	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC(C)C)c(OC)c1	408602427	NMFGRNXFIYPENJ-RIYZIHGNSA-N	347.367	2.496	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(C)=O)cc1I	409010443	DYIKJMDYDMYEOS-RIYZIHGNSA-N	344.152	2.326	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1	3127123	RUVJQMXZNVLWOP-HCZVKUGISA-N	325.368	2.023	50	40	EEGB	
O=C(CNC(=O)c1ccccc1)N/N=C\c1c(O)ccc2ccccc12	17041662	VIHKVVAFUZTSCK-UUYOSTAYSA-N	347.374	2.426	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-]	569143	JJBYKPCJSTWVKN-UHFFFAOYSA-N	335.341	2.130	50	40	EEGB	
Cn1cccc1C(=O)NN[C@@H](C(=O)N1CCCCC1)c1ccccc1	32814721	VDZLACXZUZCOLM-QGZVFWFLSA-N	340.427	2.013	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1nc(C(F)F)cc1C	252506967	WDUMUGPPASOAME-YSITYURMSA-N	342.325	2.021	50	40	EEGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccco1	100523010	PLWUCVLYNJGRQR-XDHOZWIPSA-N	328.372	2.480	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1	104548207	MKUJRRKUPKYPRQ-RAXLEYEMSA-N	336.775	2.366	50	40	EEGB	
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	14232545	BBEPAWCXLNGQNG-NSHDSACASA-N	344.392	2.357	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/CCc2c(O)cccc21	98054219	PDGWZKSGOHOFRI-AQTBWJFISA-N	341.323	2.146	50	40	EEGB	
N#C/C(=C1/NC(=O)c2ccccc21)c1nc2ccccc2n1CCO	17109533	OGERPIZNHRNITB-VKAVYKQESA-N	330.347	2.164	50	40	EEGB	
Cc1cccc(C)c1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O	19955397	HDTWCLKGZOGILG-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
COc1ccccc1[C@H]1C[C@@H]1C(=O)NNC(=O)c1scnc1C	104641874	BMFBZHJUQBQKFX-NEPJUHHUSA-N	331.397	2.025	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@H](c1cccc(OC)c1)C(C#N)=C(N)O2	2338212	QTMQIUKVVASMSZ-MRXNPFEDSA-N	337.379	2.403	50	40	EEGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1	409271487	LMBOWXVOKATUBU-XDHOZWIPSA-N	341.367	2.270	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OC)c1	408968211	UTAPSAPKIPQGEY-KEBDBYFISA-N	327.315	2.478	50	40	EEGB	
NNC(=O)c1cc(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1	95869900	AIBUUYOEEUPGRB-UHFFFAOYSA-N	328.322	2.480	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505508	WZEWESPKYJQUSE-HOHJNREFSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
O=C1N(CN2CCCCC2)c2ccccc2[C@]12OC[C@H](CCl)O2	12377327	CDHHNOIBYWPSSL-SUMWQHHRSA-N	336.819	2.284	50	40	EEGB	
CCCc1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	70959	ZQMXYQPNRZDYON-ZDUSSCGKSA-N	325.328	2.489	50	40	EEGB	
COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	1633082	ZUEVSQKEARMLSV-HUUCEWRRSA-N	345.786	2.113	50	40	EEGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21	4164880	VRJGJKQIOYOBEW-IBGZPJMESA-N	349.394	2.272	50	40	EEGB	
COc1ccc(O)c(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	8752596	GQGHOUHBUFRBOA-UHFFFAOYSA-N	344.411	2.378	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(Br)cc1	252509531	YPGZHAHEFOXDHQ-FRKPEAEDSA-N	339.168	2.394	50	40	EEGB	
C[C@H]1CN(C(=O)N2CCC3(CC2)C[C@@H]3Br)C[C@@H](C)O1	1615055980	WRVALCMYMLODRC-TUAOUCFPSA-N	331.254	2.465	50	40	EEGB	
CCOC(=O)CCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	5869086	ZLTLTCREEBYFSJ-UHFFFAOYSA-N	340.379	2.458	50	40	EEGB	
Cc1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1F	24987205	XWYSCGBJLKBKJN-UHFFFAOYSA-N	345.330	2.007	50	40	EEGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccco3)CC2=O)cc1C	409173279	OMBJVTLJJKBZSC-FVOVHSBVSA-N	325.368	2.400	50	40	EEGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(=O)N2CCCCC2)cc1	96404918	NUJAWLWOYUUXPH-FOWTUZBSSA-N	341.411	2.121	50	40	EEGB	
COc1ccc(/C=N\NC(=O)N/N=C/c2ccc(OC)cc2)cc1	31628845	MJPDRYVAZFJHKI-VHVWWYSBSA-N	326.356	2.371	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1	3089752	PIXYNSSUEKGNNU-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccc(F)cc1	9870059	SIYFCWSIEWCFFX-UHFFFAOYSA-N	344.371	2.255	50	40	EEGB	
CCOC(=O)NNC(=O)[C@@H](C(C)C)n1cnc2cc(F)c(F)cc21	84794426	ARBRBKHYJPRFLN-CYBMUJFWSA-N	340.330	2.289	50	40	EEGB	
CCc1c(OC)ccc(/C=N/NC(=O)CN2CCCCC2)c1OC	408719562	WDIVWZARLIMZPA-XDHOZWIPSA-N	333.432	2.202	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)ccc2O)cc1OC	409365696	RNIZWTNALAFRLI-ODLFYWEKSA-N	328.368	2.411	50	40	EEGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	35448378	BQZIQWUGPRNBSV-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1	64024611	LQFIRTROHPOXQP-UHFFFAOYSA-N	342.355	2.188	50	40	EEGB	
BrC[C@H]1CN[C@](Br)(N2CCCC2)S1	19318700	AAPPGZFVOPDKSC-JGVFFNPUSA-N	330.089	2.188	50	40	EEGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](Cc3ccccc3)[C@H]2C1	4103206	RSQBDANEMJIELQ-ROUUACIJSA-N	329.407	2.117	50	40	EEGB	
COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1	4775402	LJCBNLGLEMRYRW-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
NC(=S)NNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1	62715112	HXORHXRHAHAZOJ-DHZHZOJOSA-N	327.409	2.143	50	40	EEGB	
Cn1ncc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C(F)(F)F	253394454	BASBCLYVUSSPEU-LLVKDONJSA-N	338.289	2.254	50	40	EEGB	
CCOC(=O)N/N=C1\CCN(Cc2ccccc2)C[C@H]1C(=O)OCC	385844	BRQRUJYFDLDXIG-ZBQKJFDRSA-N	347.415	2.174	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccccc1F	3475451	HTGOBBFITHDJRA-WOJGMQOQSA-N	333.388	2.488	50	40	EEGB	
COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC	17823770	VSRHXKGJJGRCCS-AEXFZSQLSA-N	347.371	2.498	50	40	EEGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2ccc(O)cc2)c(C)c1C#N	408722403	TVOUAAHRFQOEOC-QGMBQPNBSA-N	342.380	2.356	50	40	EEGB	
CCS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(Br)cc1	96518913	VAKPXHPWPBFMHK-NXEZZACHSA-N	327.627	2.482	50	40	EEGB	
N#CC(C#N)=CN=c1ccn(CCCn2c(=O)[nH]c3ccccc32)cc1	16525041	VSWDAIDDPFJYKT-UHFFFAOYSA-N	344.378	2.053	50	40	EEGB	
O=C(Cn1cnc2c(=S)nc[nH]c21)Oc1ccc([N+](=O)[O-])cc1	1610726	KEPAHCCTMUUWLN-UHFFFAOYSA-N	331.313	2.003	50	40	EEGB	
O=C(CCl)NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S	4106693	NPSDHADEYKGSPX-WEVVVXLNSA-N	330.793	2.297	50	40	EEGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1	239280	SOTDLNOPGHIYNG-XDHOZWIPSA-N	328.368	2.452	50	40	EEGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1O	5633484	OMRGNVCCMUTQTK-ZDUSSCGKSA-N	326.356	2.465	50	40	EEGB	
COC(=O)c1ccc(N[C@@H]2SC(=O)N(CCCl)C2=O)cc1	12113044	JAXIBOVUUACEQL-SNVBAGLBSA-N	328.777	2.145	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1	13921819	HITQHBUGGVWVSC-UDWIEESQSA-N	338.411	2.458	50	40	EEGB	
COc1cccc(/C=C/C(=O)NNC(=O)c2ccccc2)c1OC	7652377	ZHIHXHAFDZVJMZ-VAWYXSNFSA-N	326.352	2.178	50	40	EEGB	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1scnc1C	104641879	BMFBZHJUQBQKFX-NWDGAFQWSA-N	331.397	2.025	50	40	EEGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)C(C)(C)C	4502949	CZIRLIUXGKYQIW-GHRIWEEISA-N	339.461	2.299	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])ccc1O	33690412	CNEFELJPGIEJQA-AWNIVKPZSA-N	336.285	2.034	50	40	EEGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1c[nH]c2ccccc12	16525318	BENXCFNPRHOICK-NKVSQWTQSA-N	336.351	2.459	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccccc1OCC(=O)O	261687	XHFQHOMXLPQFHZ-KEBDBYFISA-N	341.367	2.021	50	40	EEGB	
C/C(CC(=O)NC1CCCC1)=N\NC(=O)COc1cccc(C)c1	4713759	QMHVMCQVSCNINX-XSFVSMFZSA-N	331.416	2.315	50	40	EEGB	
Cc1n[nH]c(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-]	4750507	WNNRHLQFYNVOFJ-UHFFFAOYSA-N	340.137	2.146	50	40	EEGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	54883463	TYZJXEMAXIIDQT-WSDLNYQXSA-N	347.374	2.468	50	40	EEGB	
Cc1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccoc3)sc2n1	61486216	WVVNWSSPHFWGDZ-UHFFFAOYSA-N	330.369	2.284	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1O	33737127	OYSNBJHDWDZQAK-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=O)[C@@H]1CCCOC1	585088504	CMGNIFOEBJJRED-MRVPVSSYSA-N	347.198	2.190	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c1	581734	CLTQPLQAVUVEPY-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc([N+](=O)[O-])s1)C(C#N)=C(N)O2	1817939	QHMMHLBKJDSQNL-LLVKDONJSA-N	331.309	2.136	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	323482	OLLFMIRYYGMLIK-OVCLIPMQSA-N	335.341	2.194	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393464	WZEWESPKYJQUSE-GTBHSOEESA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
N#C/C(=C\c1ccc(I)o1)C(=O)N1CCCC1	409373734	ZQZFXABCMNDRJJ-VQHVLOKHSA-N	342.136	2.414	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@@H]2OCCc3ccccc32)c(OC)c1	26503666	WVJNSEMPQVAVBO-BDBXIWDTSA-N	340.379	2.468	50	40	EEGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1cccc(O)c1	359428	IABCWPXZGBIQOG-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
O=C1NC2(CCCC2)C(=O)N1CCCN(CCCl)CCCl	5566772	DQWWWJSKZXRMDW-UHFFFAOYSA-N	336.263	2.021	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C(/C)c2ccc(F)cc2)cc1	6316999	RGBVBWMBLOKZQK-JAIQZWGSSA-N	329.331	2.313	50	40	EEGB	
COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	20528835	QLHHWEVSOVDHAC-AWEZNQCLSA-N	344.392	2.272	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OCC	408858088	JJUFRSUDXAFLOK-CPNJWEJPSA-N	348.399	2.253	50	40	EEGB	
CCCCSCC(=O)NNC(=O)CN1CCCc2ccccc21	40070012	HNANNMWSIPOSLG-UHFFFAOYSA-N	335.473	2.120	50	40	EEGB	
O=C(NN=C1CCC(c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1	63421501	UIMYUTDKWJWLLD-BZSJEYESSA-N	349.456	2.187	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccc(Cl)cc1	13895355	CBUIKPDMIYVVEY-FRKPEAEDSA-N	335.703	2.423	50	40	EEGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(OC)c1O	216944776	SQLGGUHXRSRCFW-XNTDXEJSSA-N	330.384	2.189	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)OC2=O	100834659	KZNLCPRKZFLQGR-HZPDHXFCSA-N	333.344	2.160	50	40	EEGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccco1	1895015	JZLGHPUWFFNTRG-UHFFFAOYSA-N	349.774	2.421	50	40	EEGB	
C=CCn1c(/C(C#N)=C/c2ccc(C)o2)nnc1N1CCOCC1	5751763	MYWRZDBJJZCKKI-SDNWHVSQSA-N	325.372	2.266	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	408748786	HKMWEWBIPPDGPZ-VXLYETTFSA-N	342.351	2.231	50	40	EEGB	
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)CBr	72207493	GNHQYDVJUAFQSM-GFCCVEGCSA-N	326.190	2.116	50	40	EEGB	
O=C(Cl)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1	45958716	CFGOQMXOKSUDFU-QMMMGPOBSA-N	346.170	2.274	50	40	EEGB	
O=C(N/N=C/c1ccncc1)C(=O)Nc1cccc(C(F)(F)F)c1	5568876	INBMFFLTKJNJER-AWQFTUOYSA-N	336.273	2.189	50	40	EEGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1	2239845	QUPIIQUOJPJUPH-MRXNPFEDSA-N	337.379	2.311	50	40	EEGB	
CC[C@H](NNC(=O)c1ccc(C)cc1C)C(=O)Nc1cc(C)on1	14199467	UKECGLOHQRVAKP-AWEZNQCLSA-N	330.388	2.252	50	40	EEGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)c3ccccn3)c2c1	4676358	RRMPLLFLZWZPDS-UHFFFAOYSA-N	336.395	2.492	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccccc1F	408972147	SUDNYEKQHVIFCV-KEBDBYFISA-N	344.390	2.208	50	40	EEGB	
C=CCNC(=S)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	2543487	UFUDZMMKCFJPSA-UHFFFAOYSA-N	334.323	2.272	50	40	EEGB	
COC(=O)N1C[C@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	101042885	UOXRQXOWNBYVAE-NGJRWZKOSA-N	327.016	2.374	50	40	EEGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1	2026083	SFSTVJPGAVWWGV-ZDUSSCGKSA-N	346.408	2.417	50	40	EEGB	
O=C(NCc1ccccc1Cn1cccn1)NNC(=O)c1ccccc1	12981618	IWFPBCONTBIHAW-UHFFFAOYSA-N	349.394	2.076	50	40	EEGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc2c(c1)OCCO2	35060061	JOFRYKPCWDLZOU-WQRHYEAKSA-N	341.323	2.059	50	40	EEGB	
CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(C)=O	413201	QAMOIPULYGZHCK-UHFFFAOYSA-N	333.413	2.065	50	40	EEGB	
C/C(=N\NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccccc1O	13122735	QOZWCVGVSHYBKY-FHIITYSISA-N	330.384	2.354	50	40	EEGB	
COc1ccc(/C=C(/C#N)c2nc(N)c(C#N)c(CC#N)n2)cc1OC	39379130	KUMNLHMPMXEMLH-GHXNOFRVSA-N	346.350	2.078	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	3017318	WGJDBIIAJZAMEW-WVISFHDSSA-N	343.333	2.468	50	40	EEGB	
CC(=O)/C=C(\NNC(=O)c1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1	3057052	AJHWWUCXMSNMPN-YBEGLDIGSA-N	340.339	2.042	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36092847	AKFPAJVSWRPGCW-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
C=CCN1C(=O)[C@H](Cc2ccc(Cl)cc2)S/C1=N/NC(C)=O	1453047	MVPPWODZOLPSCD-BWVAZPDUSA-N	337.832	2.420	50	40	EEGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3cccs3)cnc2s1	1784461	WGRVHWHONQFYON-REZTVBANSA-N	346.437	2.232	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2cccs2)c(OC)c1OC	19826080	YFVOHPZQOUBRAP-YVLHZVERSA-N	334.397	2.467	50	40	EEGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409143280	LMCGKYFQCIVWSA-QGZVFWFLSA-N	339.395	2.434	50	40	EEGB	
O=C(NNC(=O)c1ccccn1)c1ccc(OCc2cccnc2)cc1	24537349	SJIYEIKXYCPACB-UHFFFAOYSA-N	348.362	2.130	50	40	EEGB	
Cc1cc(C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)o1	15472879	ILGXUHGVFOWAPW-MRXNPFEDSA-N	327.384	2.151	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc([N+](=O)[O-])c1O	37390771	ARVGDMWQHOIRSB-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1	582633	ZIOGWEKJNZTUNI-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc(O)c(O)c1	90515	GSYJLNZKXBTEBE-CQSZACIVSA-N	347.334	2.101	50	40	EEGB	
CC1(C)[C@@H](Br)C(=O)[C@H](Br)C(C)(C)N1O	1567479	LIAOQMDOLHMEGN-BQBZGAKWSA-N	329.032	2.345	50	40	EEGB	
O=C(CCCCC(=O)N/N=C\c1ccco1)N/N=C\c1ccco1	4737628	DUOJGMBENABMRK-WHYMJUELSA-N	330.344	2.033	50	40	EEGB	
Cc1ccccc1NC(=O)NNC(=O)Cc1ccc2c(c1)OCCO2	32928445	IMDMNJVTCTXTTA-UHFFFAOYSA-N	341.367	2.162	50	40	EEGB	
N#C/C(C(=O)Cn1cnc(C#N)n1)=C1/Nc2cc(Cl)ccc2S1	102940655	RSVKIEORZFVSRV-NTEUORMPSA-N	342.771	2.325	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1C	4702992	MGSQYWYLVTZCJQ-UDWIEESQSA-N	338.411	2.458	50	40	EEGB	
CN(CC(=O)N/N=C/c1ccc(O)cc1)C(=O)OCc1ccccc1	6178114	WXXBNUYBXKGMJU-YBFXNURJSA-N	341.367	2.111	50	40	EEGB	
C/C(=N/NC(=O)C[N+](C)(C)C)c1sc(-c2cccnc2)nc1C	17211497	YPGLNFFYTIHCTP-UNOMPAQXSA-O	332.453	2.060	50	40	EEGB	
CC1(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)SCCS1	6348144	SWGYXGQUCKOOAA-RIYZIHGNSA-N	341.414	2.337	50	40	EEGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1	2638620	VHMMOFSOWJUVRB-UHFFFAOYSA-N	337.694	2.462	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1	2737361	AKZALBOWTQBWHO-UHFFFAOYSA-N	331.825	2.165	50	40	EEGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)N1CCOCC1	408961999	WUBUGJXQOXIZPU-LGMDPLHJSA-N	325.412	2.361	50	40	EEGB	
CNC(=O)/C(C#N)=C\c1ccc(OCc2occc2C(=O)O)cc1	71887993	ROOGOUYORLEZRJ-WQLSENKSSA-N	326.308	2.210	50	40	EEGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(N)=O)cc1	409008083	SXHYFJXCDAVOPM-GDNBJRDFSA-N	335.363	2.405	50	40	EEGB	
N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)Nc1ccc(F)cc1	409225736	OLGZODVIUJCQHY-JYRVWZFOSA-N	339.326	2.235	50	40	EEGB	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNC(=O)c2ccoc2C)c1	45129308	AWDAJKKKXNUQJX-JTQLQIEISA-N	344.371	2.252	50	40	EEGB	
COc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	584010	YVKLNWBXVUSNFQ-VCHYOVAHSA-N	328.328	2.166	50	40	EEGB	
CCc1cc2ccc(OC)cc2nc1SCC(=O)NNC(C)=O	410930	YGFRKNJXXKPZHJ-UHFFFAOYSA-N	333.413	2.065	50	40	EEGB	
Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1	238128	GKJQGZBUIJZIHS-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCC#N)c2)cc1	6562973	AKHMSRIFNXCSFU-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OC	7784659	RSPHCISLFDBZFL-XDHOZWIPSA-N	341.367	2.183	50	40	EEGB	
CCn1c([P@](=O)(O)c2ccccc2)nc2ccc([N+](=O)[O-])cc21	101023596	CEVYXCWQSPDIKF-UHFFFAOYSA-N	331.268	2.186	50	40	EEGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	4181574	BIBTZWOJCLHBOX-HXUWFJFHSA-N	349.390	2.268	50	40	EEGB	
CCOC(=O)C(N/C=C(\C#N)c1ccc(Cl)cc1)C(=O)OCC	67172900	BWVGGCRIZVPHEE-ZRDIBKRKSA-N	336.775	2.289	50	40	EEGB	
Cc1ccc(S(=O)(=O)N(C)CCI)cc1	21948544	KHUIPWWXWPKLEF-UHFFFAOYSA-N	339.198	2.051	50	40	EEGB	
CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	95618427	XARJZPRROODHKA-UHFFFAOYSA-N	329.312	2.463	50	40	EEGB	
O=S(=O)(CI)Nc1ccc(Cl)cc1	161004	RSDBNBORMUAXBT-UHFFFAOYSA-N	331.562	2.474	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	253441	CZYWRWCXJAQSFK-LDADJPATSA-N	326.356	2.354	50	40	EEGB	
O=C(CCn1nnc2ccccc21)N/N=C/c1c[nH]c2ccccc12	181619	LPFPTZYELHMMDL-UDWIEESQSA-N	332.367	2.453	50	40	EEGB	
C[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)C(=O)O	1715421	AXIKYQVDRNJVTG-GZMMTYOYSA-N	340.173	2.157	50	40	EEGB	
Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-]	101206112	USFXOFNFQPKNQX-SDXDJHTJSA-N	338.323	2.014	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N	104729608	ZHZPLVCTRKRZNE-TWGQIWQCSA-N	328.155	2.058	50	40	EEGB	
CC1(C)Oc2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2NC1=O	35289444	HXDMECVAFDHAHQ-VXLYETTFSA-N	339.351	2.266	50	40	EEGB	
COc1cc(N(C(=O)CCl)C(=O)CCl)cc(OC)c1OC	100567856	UVJJMADHHHLFOV-UHFFFAOYSA-N	336.171	2.050	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1	370104	XJECZSHBMZANSI-XDHOZWIPSA-N	325.368	2.303	50	40	EEGB	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1	98053061	FBWOZAQOJXFZLL-CDDSVFCYSA-N	342.355	2.366	50	40	EEGB	
CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1	6358950	VLCPLVMSYNDHOS-UHFFFAOYSA-N	342.424	2.154	50	40	EEGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@H]2C1	804150	YNZWMYRJJBSIFA-LSDHHAIUSA-N	339.399	2.057	50	40	EEGB	
NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	9261947	GRGBLHJEWFQWIL-LZYBPNLTSA-N	345.271	2.298	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	408611966	SVQCJDRKZNCATJ-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
N/C(=N\NC(=O)c1ccccc1)c1cc2cc(Cl)ccc2oc1=O	5171530	VAKYZBSLLPKYBR-UHFFFAOYSA-N	341.754	2.497	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)O	102192691	QVRCJJDUOXMWKO-GBOPCIDUSA-N	346.383	2.042	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1ccc(O[C@@H](C)C(=O)O)cc1	59248952	OQZPXVVZQQHSKA-MKFNJMOCSA-N	342.351	2.311	50	40	EEGB	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1(C)C	57614925	QCVJKNHNIHPWPX-WFASDCNBSA-N	330.384	2.415	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=O)C[C@@H](C(=O)O)c1ccccc1	13250845	RPVNJQQEQQAHFX-OAHLLOKOSA-N	326.352	2.015	50	40	EEGB	
COc1ccccc1OCCC(=O)NNC(=O)c1ccccc1F	5937774	DNKCTPXXJGKLKW-UHFFFAOYSA-N	332.331	2.064	50	40	EEGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2)oc2ccccc12	7380284	OFVZQXBNRCCPHC-UHFFFAOYSA-N	330.365	2.365	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020519	IHRXHYCYHKYNJP-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)c(OC)c1	83317043	KCKBMTKQZHUPPP-MIQLPHMESA-N	328.368	2.278	50	40	EEGB	
Cn1nc(C(F)(F)F)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253404967	ROAFWADIKBHWCA-LBPRGKRZSA-N	338.289	2.254	50	40	EEGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2cccnc2)cc1	6045288	BANFWVNEOPCOMN-UDWIEESQSA-N	334.335	2.334	50	40	EEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1	58883439	MLBQPZMEJKTXFH-LPYMAVHISA-N	338.411	2.146	50	40	EEGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1	2026078	SFSTVJPGAVWWGV-CYBMUJFWSA-N	346.408	2.417	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)Cn2ccc3ccccc32)cc1	4676633	OSWICRMCWXETHE-UHFFFAOYSA-N	337.379	2.040	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@H]2OCCc3ccccc32)c(OC)c1	32655532	WVJNSEMPQVAVBO-HRVJUDJTSA-N	340.379	2.468	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1OCC	7869480	GBSWDGWOPBPJOS-HCZVKUGISA-N	349.431	2.239	50	40	EEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2ncccn2)C1	102998689	NFASCSYPGYYLMD-GFCCVEGCSA-N	328.328	2.207	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(Cl)c3)ccc21	408899892	RNJNBRZEOMUQQX-VXLYETTFSA-N	342.786	2.294	50	40	EEGB	
O=C(CC(=O)N/N=C\c1ccc(F)cc1)NCCc1ccccc1	32116913	SUTMEGIFKOLYJY-BKUYFWCQSA-N	327.359	2.025	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(SC#N)o1	5457779	LOZNKSLFTABYMK-CYBMUJFWSA-N	331.353	2.498	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1	539394	PGLCIZFGGGNUGT-GIDUJCDVSA-N	339.193	2.314	50	40	EEGB	
CSc1ncccc1C(=O)NNC(=O)c1cn(C)c2ccccc12	10736639	HYAQZUXSDVDXDD-UHFFFAOYSA-N	340.408	2.370	50	40	EEGB	
CCOC(=O)CCC[C@H](Br)C(=O)C1=NC(=O)N=C1C	409418998	KWEBDOGLWIUJEK-QMMMGPOBSA-N	331.166	2.088	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	169880095	VYWXVTJSBGMGJF-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
O=C(CCC(=O)N/N=C/c1cccs1)N/N=C/c1cccs1	2807099	BNLPHEATDCJLPU-KAVGSWPWSA-N	334.426	2.190	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	3118243	MPTUCWJHOADOSN-WOJGMQOQSA-N	342.355	2.190	50	40	EEGB	
COC(=O)NNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl	3196224	PPAOQZLMCGVDQU-UHFFFAOYSA-N	333.580	2.196	50	40	EEGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)[C@H](O)c1ccccc1	3102743	MCQGBJXISHCDPH-CNGOAVBNSA-N	349.730	2.138	50	40	EEGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCOc1ccccc1	9254895	GSLRVHITYKJADJ-ZDUSSCGKSA-N	346.358	2.210	50	40	EEGB	
O=C(NNC(=O)c1cnccn1)c1ccc(OCc2ccccc2)cc1	9376352	VGLMQPZOBQNORO-UHFFFAOYSA-N	348.362	2.130	50	40	EEGB	
CCn1c(NNC(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O	32754793	QDKWUIQZSOBLAS-UHFFFAOYSA-N	344.321	2.452	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)CCS(C)(=O)=O)C1	585125470	UHILZANNFSYFLA-CYBMUJFWSA-N	349.569	2.434	50	40	EEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	13954660	CZUWVTDDMOKWLM-LICLKQGHSA-N	327.296	2.478	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2OC)cc1	8182488	VJKINHSHYNKLII-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)c1ccccc1F	2651330	YTFVFBMDJMIPSL-SOFGYWHQSA-N	328.299	2.029	50	40	EEGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](C(C)C)C(C#N)=C(N)O2	37866272	RSKJSFRXAAQKPZ-MRXNPFEDSA-N	336.395	2.426	50	40	EEGB	
CCn1c(NNC(=O)c2cc(F)ccc2F)nc2ccccc2c1=O	11159886	ROULIALDTYGDFC-UHFFFAOYSA-N	344.321	2.452	50	40	EEGB	
O=C(NNC(=O)c1ccc(F)cc1Br)c1ccco1	8238579	WYBZATAXEDHFKK-UHFFFAOYSA-N	327.109	2.256	50	40	EEGB	
COc1ccc(Cl)cc1NC(=S)NNC(=O)c1cccnc1	13519274	LOENJXIMEGQTNI-UHFFFAOYSA-N	336.804	2.375	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)ccc1O	112777	JNEJWPGDJIVCFS-VXLYETTFSA-N	338.367	2.429	50	40	EEGB	
Cc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	421468	GMSPYNPQVYYMDM-OAHLLOKOSA-N	333.351	2.086	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)CCc2ccc(O)c(O)c2)c1	370484	JZGZXRASSBOSKL-YBFXNURJSA-N	344.367	2.198	50	40	EEGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1	8558496	IFCJGUVATOHTMV-VXLYETTFSA-N	341.367	2.456	50	40	EEGB	
CCCCc1[nH]nc2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8568099	LNSIDXFJPNPJQO-GOSISDBHSA-N	335.367	2.077	50	40	EEGB	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2cccnc2)c(C)s1	9595836	OTWCPUJQBRCQOO-UHFFFAOYSA-N	331.397	2.184	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)CCc1ccccc1	2132138	CCXCRCCNRHIBFF-UHFFFAOYSA-N	339.395	2.186	50	40	EEGB	
COC(=O)[C@H](Br)[C@H](Br)CBr	100252258	BHLSTJKFRQSGRP-QWWZWVQMSA-N	338.821	2.081	50	40	EEGB	
CCc1c(C(=O)NNC(=O)c2ccco2)cnn1-c1ccc(F)cc1	24487579	VVEDFCITSXMSEK-UHFFFAOYSA-N	342.330	2.242	50	40	EEGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(O)cc1	409064661	DYWAQTFFFBMDER-DEDYPNTBSA-N	339.395	2.301	50	40	EEGB	
CC[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	2754650	VKSATQIBTLTSIL-AWEZNQCLSA-N	326.352	2.370	50	40	EEGB	
O=C(NNC(=S)NCCCc1ccccc1)c1ccccc1O	408585053	BGVLCZSQWOWCHX-UHFFFAOYSA-N	329.425	2.134	50	40	EEGB	
CC[C@@H](NNC(=O)c1ccc(C)cc1C)C(=O)Nc1cc(C)on1	14199466	UKECGLOHQRVAKP-CQSZACIVSA-N	330.388	2.252	50	40	EEGB	
CCOc1ccc(NC(=O)[C@@](C)(CCl)S(=O)(=O)CC)cc1	1860310	UUSVTAXTDNXHPD-CQSZACIVSA-N	333.837	2.456	50	40	EEGB	
CCOC(=O)CNC(=O)c1ccc(N(CCCl)CCCl)cc1	1762982	QAMBYTQUIVWEJI-UHFFFAOYSA-N	347.242	2.264	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(OC)c1	8733188	NLTMZHLVWZONLQ-LBPRGKRZSA-N	343.221	2.314	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36020521	WTXRSCFAJRJHBI-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
CC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	408996869	KFSQHZZRGXYEDP-UHFFFAOYSA-N	331.759	2.373	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(OC)c1	135280	SWLYOTNRFAJZKQ-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1	580594	GCHBCMIAQYKGKE-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
Cn1/c(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)sc2ccccc21	15308554	MONFJKLEJJNYED-ICFOKQHNSA-N	328.353	2.394	50	40	EEGB	
CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1CC(C)C	20533522	NAGYXXCIPOAVIQ-LLVKDONJSA-N	337.445	2.043	50	40	EEGB	
CO[C@@H](C(=O)N/N=C/c1cccc2c1OCCO2)c1ccccc1	58915876	CIRMWHZWVNGOPZ-MIQLPHMESA-N	326.352	2.296	50	40	EEGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccncc1)c1ccccc1	408979036	KWKHIWSFTDJUPU-RBYWHNRPSA-N	340.383	2.409	50	40	EEGB	
Cc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1[N+](=O)[O-]	216960153	IPXFCXQWHGXIAJ-UHFFFAOYSA-N	338.323	2.150	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1	3102797	QWQSOCRVYYHCKP-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/CCOc2ccccc21	38721855	BVNOBQDUAVYGNA-AQTBWJFISA-N	341.323	2.277	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1OC	13009678	IKFSPRJMGYAHOT-UHFFFAOYSA-N	328.368	2.477	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)NCc3ccccc3)ccc21	408860717	CNNAGMPFQIHVRV-YBEGLDIGSA-N	346.390	2.100	50	40	EEGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cc(Cl)cnc1Cl	585141601	XULDBPVLCCKZKV-UHFFFAOYSA-N	340.232	2.134	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3480195	CCPHDODYURGCCZ-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
COc1cccc(/C=N/NC(N)=O)c1OCc1ccc([N+](=O)[O-])cc1	409082073	PDAICBCJKYYYAR-GIJQJNRQSA-N	344.327	2.185	50	40	EEGB	
Cc1[nH]nc(-c2ccc(OCC(=O)NN)cc2O)c1-c1ccccc1	8973181	BTFOZCJRZWSPLH-UHFFFAOYSA-N	338.367	2.126	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc([N+](=O)[O-])ccc1O	36011542	YDLSCZWYOUXYEB-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(Cn2cccn2)c1	131912	VLFCYFSIKWCVQL-RGVLZGJSSA-N	348.362	2.424	50	40	EEGB	
COc1ccc(/C(C[C@@H]2OC(=O)c3ccccc32)=N\NC(N)=O)cc1	13139327	BTEQIWOOAIBYES-UKEODDKASA-N	339.351	2.369	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@@H]2OCCc3ccccc32)cc1OC	32655534	DGLVCCOKRDMBRN-BDBXIWDTSA-N	340.379	2.468	50	40	EEGB	
O=C(N/N=C\c1c(F)cccc1Cl)C(=O)NC1CCCCC1	32234558	PMXBBMGWHVGWRR-NVMNQCDNSA-N	325.771	2.378	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	6216072	CJTDRWYEGZNDAC-CAOOACKPSA-N	327.296	2.396	50	40	EEGB	
O=S1(=O)C[C@H](/N=C(/Cl)C(Cl)(Cl)Cl)[C@@H](Cl)C1	97942993	PTZPPDSDYQMOKF-QGRJFHSASA-N	333.451	2.398	50	40	EEGB	
CCn1ncc(/C=N/NC(=O)[C@@H](C)n2nc(C)c(Cl)c2C)c1F	252501000	UBHGCQKQQWOKOX-OMEHRSSBSA-N	340.790	2.220	50	40	EEGB	
NNC(=O)/C=C/c1ccc(OCc2cccnc2)c(Br)c1	226332949	IMNPTZVZRCTARL-GQCTYLIASA-N	348.200	2.426	50	40	EEGB	
CCOC(=O)[C@H]1[C@H]2NC(=O)N[C@@]1(CCl)Oc1ccc(Cl)cc12	100267426	RWCHFTMXSRUXEQ-SUNKGSAMSA-N	345.182	2.201	50	40	EEGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc(C)n[nH]1	257582	SUWWVHXYRYZIFU-VIZOYTHASA-N	337.177	2.253	50	40	EEGB	
COCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	5686986	HWHZPRUUWOIAKP-ZDUSSCGKSA-N	328.397	2.496	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccccc3)ccc21	408879532	FBFMYDSJFOHNTI-GXDHUFHOSA-N	332.363	2.423	50	40	EEGB	
Cc1ccc(Cn2c(SCC(=O)NN)nc3ccccc32)cc1	36724694	KMYZRZCLOCGJJV-UHFFFAOYSA-N	326.425	2.475	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2ccccc2Cl)C1	575419577	TXCBGFFXIJDUCN-SCZZXKLOSA-N	339.269	2.031	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C	8728774	AAAGYSBEIMZZHK-OAHLLOKOSA-N	349.431	2.070	50	40	EEGB	
C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccco1	6369314	UDSBQXAGKCQDBA-CAPFRKAQSA-N	340.427	2.332	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)O)C1	2797252	FCQUMWILAZJEEA-CABCVRRESA-N	330.384	2.203	50	40	EEGB	
CC1(C)[C@]2(C(=O)N/N=C/c3ccc(O)cc3O)CC[C@]1(C)[C@@H](O)C2	100867354	SLJZDUYMZZFUJQ-WPFJPWENSA-N	332.400	2.125	50	40	EEGB	
Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])o2)oc2ccccc12	42522859	OXGZUNZTESMSAB-UHFFFAOYSA-N	329.268	2.317	50	40	EEGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)s1	63181888	HCMAEQDVOGTLQX-UHFFFAOYSA-N	336.438	2.169	50	40	EEGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)N1CCCCC1	4699490	QYNRMNVDHUWUDE-XDHOZWIPSA-N	325.368	2.008	50	40	EEGB	
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1cccs1	24487699	VEFLYFRAJRSLBO-UHFFFAOYSA-N	345.302	2.159	50	40	EEGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC	5817631	MJZPVVPDSKDJJA-HNNXBMFYSA-N	326.356	2.344	50	40	EEGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O	4517031	VWDBDLWWFBDFDO-FQEVSTJZSA-N	347.374	2.046	50	40	EEGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C)o1	409373721	YMLMXCNYQUWZQU-LICLKQGHSA-N	327.296	2.272	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	136543	QOSDASAKAOGNOK-YRNVUSSQSA-N	336.303	2.300	50	40	EEGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)cc1O	5633519	OMRGNVCCMUTQTK-CYBMUJFWSA-N	326.356	2.465	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C)nc2)ccc1OC(C)=O	59057	LLBTYSVKPDGFLI-DJKKODMXSA-N	327.340	2.088	50	40	EEGB	
CC[C@@H]1CCc2sc(C(=O)NNC(=O)c3cnccn3)cc2C1	11529047	YQGXRGSUDOFVPQ-SNVBAGLBSA-N	330.413	2.128	50	40	EEGB	
CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1O	370234	XTMFHUIXCKOGLQ-YDDPGSGASA-N	343.383	2.447	50	40	EEGB	
COc1ccc2[nH]c(C(=O)NNC(=O)c3ccc(F)cc3)cc2c1	9095105	FWXDRNRRTKXJND-UHFFFAOYSA-N	327.315	2.390	50	40	EEGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(C)oc2C)cc1	6507307	MGFYEGNFVRWBGQ-UHFFFAOYSA-N	344.367	2.329	50	40	EEGB	
COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Cl)cc32)cc1	13988871	XIIJGCJPSAQQQV-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
N#CCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccccc2)o1	62031	MWYPTOMETZSWTA-VCHYOVAHSA-N	342.380	2.374	50	40	EEGB	
Cc1cccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O	3147570	FOORXCIYVMSMAZ-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
Cn1c(CC(=O)N/N=C2/CCOc3ccccc32)nc2ccccc21	84313997	CMASMZOPRIMRLU-STZFKDTASA-N	334.379	2.419	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1O[C@@H](C)C(=O)O	409240550	UMQGWEBXCVZBQT-MKFNJMOCSA-N	342.351	2.311	50	40	EEGB	
COc1ccc(NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	218831	NVXDHSIBTQENLA-UDWIEESQSA-N	326.400	2.323	50	40	EEGB	
Cc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)OC3=O)cc1	59690754	WKZWARGPGUQSOL-BDJLRTHQSA-N	347.417	2.442	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2O)c(OC)c1OC	2380584	LCIYIPMAOVCRRA-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNc2ncccn2)cc1	48234480	LETAWKFDNNRQLQ-JTQLQIEISA-N	331.401	2.059	50	40	EEGB	
O=C(NN[C@H]1SC(=O)N(c2ccccc2)C1=O)c1ccccc1	4540097	MHDUBKJCBANXMU-AWEZNQCLSA-N	327.365	2.147	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1O[C@@H](C)C(=O)O	409017526	XCEMDWPXZJUTLW-HLGUWXJESA-N	348.380	2.373	50	40	EEGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1	327461	BCPXIQIKABZBEA-SLDJAQPHSA-N	337.379	2.198	50	40	EEGB	
BrC[C@H]1CN[C@@](Br)(N2CCCC2)S1	19325296	AAPPGZFVOPDKSC-YUMQZZPRSA-N	330.089	2.188	50	40	EEGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2	506572	GMADWNPCEACLQD-LICLKQGHSA-N	327.296	2.130	50	40	EEGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1	3413678	UQFSXSGDFYSJIR-UHFFFAOYSA-N	332.743	2.186	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OC)cc1	409247981	FLHBZFYTWNLXPG-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
CCO/C=C(\C#N)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1	585087085	QWNGSJYKYNVKDJ-CNNVDREISA-N	349.431	2.146	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccs1	4079726	SKTDEORGMYHIQK-VCHYOVAHSA-N	331.397	2.027	50	40	EEGB	
C[C@@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)C(=O)O	1715419	AXIKYQVDRNJVTG-KWQFWETISA-N	340.173	2.157	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3)[nH]n2)cc1	12682935	ZJFUKZJDJCOSJQ-UHFFFAOYSA-N	336.351	2.160	50	40	EEGB	
Cc1nn(C)cc1-c1cc(C(=O)N/N=C/c2ccc(F)s2)no1	252484808	GIFMWTJJUOPBQD-OMCISZLKSA-N	333.348	2.348	50	40	EEGB	
CC(=O)Nc1nnc(SSc2nnc(NC(C)=O)s2)s1	1573659	YMWAAPUQRGFEJI-UHFFFAOYSA-N	348.460	2.106	50	40	EEGB	in-vitro
CCOc1cc(/C=N/NC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cn1	6630773	MEJOPWOJNNANLZ-QGMBQPNBSA-N	345.315	2.183	50	40	EEGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1	54860689	LPNJRZDGBFCERL-LICLKQGHSA-N	327.296	2.130	50	40	EEGB	
COc1cc2c(cc1/C=N\NC(=O)c1ccccc1OC)OCO2	409074177	KSUGAZGQGQNPDO-NVMNQCDNSA-N	328.324	2.196	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@H]3C[C@H](C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21)C3(C)C	254759172	LWJRFRGYHFWQLY-DZRLAAETSA-N	345.439	2.409	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1	188522	LZFNSRAANWDXEU-ZGXHQARYSA-N	343.408	2.499	50	40	EEGB	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC(C)C)cc1	408814423	PFPKCZSBPAWPRK-CXUHLZMHSA-N	343.427	2.269	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccc2ccccc12)c1ccccc1	35685889	XEJNOIRLHUMBJB-UHFFFAOYSA-N	326.377	2.463	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(OC)c1	60215	WRJWHKGLXUCHJS-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	biogenic
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)cc2O)cc1	1960073	FFIZGTRCKPJKIU-YBFXNURJSA-N	341.367	2.275	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)c(OCC)c1	409050169	ZTTGPDZOOVEMHY-LDADJPATSA-N	336.388	2.087	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C1\C(O)=Nc2ccc(F)cc21	6043717	CCJCQPFUXBJWEY-UHFFFAOYSA-N	342.330	2.368	50	40	EEGB	
COc1cccc(N/N=C(/C#N)C(=O)N/N=C\c2ccccc2C)c1	5420418	ZHZPQMXKJRCMDU-WUQLJOAXSA-N	335.367	2.445	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36173699	IGNRQRFOGHBRJI-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	139133	XDPLTYJKCGNSNV-LZYBPNLTSA-N	343.368	2.465	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(C)c(Cl)c1	6382628	SOMMWEJUMRZDBB-GHXNOFRVSA-N	344.758	2.150	50	40	EEGB	
C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1cccc(C)c1O	4124011	JHFKMGRPOUAOOY-UDWIEESQSA-N	326.356	2.230	50	40	EEGB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	5072374	OGYYZPWGOHFENO-NJDFMEINSA-N	345.399	2.478	50	40	EEGB	
O=C(Cc1cccs1)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2	4592625	PXIJENIUQBCSBN-CHHVJCJISA-N	333.325	2.078	50	40	EEGB	
Cn1cccc1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1	337099	QPFZCNSKQOYNNT-LICLKQGHSA-N	338.327	2.087	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1C	3131985	JTQCTVRVWXPYSY-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1ccc(Cl)cc1	4524163	CBUIKPDMIYVVEY-APSNUPSMSA-N	335.703	2.423	50	40	EEGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1O	64385	ZWGJOOSQDGPYTE-FRKPEAEDSA-N	335.703	2.423	50	40	EEGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1ccccc1C(N)=O)C2	104890633	KQZSFKLHFICWLE-QDQKWQSMSA-N	343.427	2.483	50	40	EEGB	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C1=COCCO1	9254386	JECZEUNPFNWGHX-UHFFFAOYSA-N	348.355	2.203	50	40	EEGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1	409259020	YVOGGHUNLZHRND-XDHOZWIPSA-N	339.351	2.046	50	40	EEGB	
COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc([N+](=O)[O-])cc1	216899891	GOSNCXJLUPNMTJ-WEVVVXLNSA-N	343.339	2.186	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2cccs2)cc1OC(F)F	47934868	CBRYFRYFIWRJKB-UHFFFAOYSA-N	342.323	2.433	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	6761432	OQOSQFWLEVAAJK-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NN)cc1	550250	UZMVHKVUTPURJQ-LFIBNONCSA-N	341.436	2.478	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c(OC)c1	110368792	ATKKRWMYUXERKX-VCHYOVAHSA-N	330.340	2.269	50	40	EEGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1	59498796	PACUSXFHBWOIAE-LICLKQGHSA-N	345.428	2.216	50	40	EEGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc2ccccc2n1	3298186	YZIVSCSCPXNQJD-UHFFFAOYSA-N	345.362	2.046	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccccc2)c1	4590808	XSVJKXYFBXTSRH-HNNXBMFYSA-N	342.395	2.297	50	40	EEGB	
N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)CC(=O)c1ccc(Cl)cc1	4816116	IYAGEMXJKIIFOC-KRWDZBQOSA-N	338.754	2.272	50	40	EEGB	
O=C(NNC(=S)Nc1ccccc1F)c1ccc2c(c1)OCO2	16184858	HZJUOLLNOWROST-UHFFFAOYSA-N	333.344	2.186	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)cc2C)c1	5823258	LDKRIZAPIJGGGM-UHFFFAOYSA-N	325.368	2.337	50	40	EEGB	
O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1cnccn1	11530292	XNHUVQGIIOJMNF-UHFFFAOYSA-N	342.742	2.465	50	40	EEGB	
N#CC1=C(N)NC(=S)[C@H](C(=O)Nc2ccccc2)C12CCCC2	102413739	BGPSPROJEZWSDY-ZDUSSCGKSA-N	326.425	2.426	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)cc([N+](=O)[O-])c1O	96610927	FIARZUCHPKEWQJ-OVCLIPMQSA-N	335.341	2.063	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@@H](/N=C/c2ccc(Br)cc2)C1	5893920	NBMCEIAKWVVTFS-PHSADVNISA-N	336.638	2.272	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)CN2CCCc3ccccc32)c1	40161322	SSIGQXMMYLVUFQ-UDWIEESQSA-N	339.395	2.304	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC	3098061	MGFRDJOKZHLEOZ-UHFFFAOYSA-N	334.759	2.432	50	40	EEGB	
CC(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	58883200	GJGNBIMMDCGONB-FAPYRAKZSA-N	339.395	2.413	50	40	EEGB	
O=C(CC1(C(=O)O)CCCCCC1)NNC(=O)c1ccc(F)cc1	13255380	UKANTHJJSGVLPU-UHFFFAOYSA-N	336.363	2.402	50	40	EEGB	
CC1(C)OC[C@H](CO[P@](N)(=O)N(CCCl)CCCl)O1	1730288	YKXMOSMMYHSZNZ-HOGDKLEQSA-N	335.168	2.001	50	40	EEGB	
O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cc(O)c(O)c(O)c1	5680298	LQTOPMHSKLJULZ-HEHNFIMWSA-N	349.346	2.381	50	40	EEGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1	96291603	ZEXIMWXVNKXWQH-QUYZQLMHSA-N	345.424	2.050	50	40	EEGB	
C#CCOc1cccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1	14134535	QLIJNWKDPPJVGE-UDWIEESQSA-N	336.347	2.120	50	40	EEGB	
C[C@@H](OC[C@@H]1CCCCO1)C(=O)N/N=c1/sc2ccccc2n1C	104152992	UGWUGJAUWDWJEY-XFRZXSLDSA-N	349.456	2.146	50	40	EEGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	408711973	SXVVSNFFAQFGKD-WQRHYEAKSA-N	343.339	2.392	50	40	EEGB	
CCC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	5297139	UWOZGVSFBGMRFI-MNOVXSKESA-N	334.445	2.055	50	40	EEGB	
O=C(N/N=C/c1ccc(O)cc1O)Nc1cccc2nsnc12	3213319	RLBVMDNZMOAABQ-VIZOYTHASA-N	329.341	2.258	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21	17747385	YHUPQVYZBSLNQS-UHFFFAOYSA-N	329.743	2.191	50	40	EEGB	
COc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl	290035	HAUFKAVLSMHQST-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
COc1ccc(NCC(=O)N/N=C(\C)c2ccc(OC)cc2O)cc1	102375574	WZCVBOOUECUUDG-UDWIEESQSA-N	343.383	2.362	50	40	EEGB	
Cc1cc(C)cc(C(=O)NC(=S)NNC(=O)c2cccs2)c1	8335487	GGICRRKXEOEUKP-UHFFFAOYSA-N	333.438	2.314	50	40	EEGB	
N#C[C@H](C(=O)/C(=N/NC(N)=O)[C@H](C#N)c1ccccc1)c1ccccc1	104285870	GBRSKFAVFMUQFI-WFOOOFMFSA-N	345.362	2.195	50	40	EEGB	
C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1O	105219599	HNTFZBCKKRJKNA-GIJQJNRQSA-N	326.278	2.148	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])s1	1820284	GPSNDLCTIVPUAZ-LBPRGKRZSA-N	335.341	2.301	50	40	EEGB	
C=C(C)CNC(=S)NNC(=O)COc1ccc(Cl)cc1Cl	3351750	IBWBZKSDWPZFCA-UHFFFAOYSA-N	348.255	2.444	50	40	EEGB	
CCCCCNC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	7693212	ZLQCZZUWSJTRLV-LLVKDONJSA-N	334.445	2.057	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(O)c([N+](=O)[O-])c1	14134841	LCEROKUUZCQRGG-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1	5494658	AMPNEPUZHUASMI-YBFXNURJSA-N	340.774	2.470	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1	59516018	LQGNYTLXBRYMJH-VXLYETTFSA-N	339.351	2.090	50	40	EEGB	
N#CCC(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1	59247724	FAELNKVWOUUWAO-OVCLIPMQSA-N	325.166	2.006	50	40	EEGB	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)c2ccccc2C1=O	3107890	DMXVFPWZHHIBNT-SECBINFHSA-N	334.331	2.029	50	40	EEGB	
CCN(CC)C(=O)[C@H]1C=C2[C@@H](C[C@@H]3C[C@@H]2C3(C)C)[C@H]2C(=O)OC(=O)[C@H]12	103370006	LWJRFRGYHFWQLY-APHOUUTHSA-N	345.439	2.409	50	40	EEGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(N)=O)cc1)c1ccccc1	4544453	BPXMYHJFOHJNCK-RQNDZEIBSA-N	349.390	2.335	50	40	EEGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)N1CCCCC1	5567287	UCWWLHUYYQEWPF-RQZCQDPDSA-N	328.199	2.456	50	40	EEGB	
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)c1	16269266	CZJMSRBNWUXWNQ-ZDUSSCGKSA-N	336.395	2.268	50	40	EEGB	
O=C(NNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccn1	24959284	YFAYBJLEPFSFOF-UHFFFAOYSA-N	341.758	2.200	50	40	EEGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccccc1Cl	2054675	GZINHKYBFUOPJP-AHVSIXQMSA-N	341.798	2.320	50	40	EEGB	
Cc1cc(NC(=O)NNC(=O)COc2ccc(Cl)c(C)c2)no1	44891806	XALWDLNTUMFTKZ-UHFFFAOYSA-N	338.751	2.177	50	40	EEGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)c1ccccc1	4362876	UCLPAAUNNBXGNN-PNOQZLDWSA-N	325.324	2.444	50	40	EEGB	
CO[C@@H](C)C(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061000326	HDMAWNXRCIHYGB-UWVGGRQHSA-N	348.311	2.015	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1)C(=O)O	59302894	AKTSDEITTKURLL-VURRPDKYSA-N	330.315	2.442	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)c(C)c1	4699302	YQLWEAGMPLWBLW-UHFFFAOYSA-N	326.396	2.462	50	40	EEGB	
O=C(Cl)[C@H]1CC(=O)N(c2cccc(I)c2)C1	217709792	UWJOGCPVPQPSIA-ZETCQYMHSA-N	349.555	2.410	50	40	EEGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	5653878	AAKPKCUIJSMQHG-HNRFISLBSA-N	330.384	2.296	50	40	EEGB	
O=C(COc1ccc(Cl)c(Cl)c1)NNC(=O)c1cccnc1	29749779	PJFSRPOZUNOENB-UHFFFAOYSA-N	340.166	2.228	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccccc1Br	100929818	NLLZFTLCCLKNRE-YFHOEESVSA-N	332.157	2.241	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1O	108341329	UUJCZXSPSWBDLH-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
CCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	36008092	UIIFPBVAHUIPTO-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
Cc1nc(-c2ccc(C(=O)NNC(=O)c3ccccc3C)cc2)no1	69595279	AVOMAXIXGAGFER-UHFFFAOYSA-N	336.351	2.428	50	40	EEGB	
O=C(CCCl)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	8910965	LHJRQKJISXMMEX-NSHDSACASA-N	336.775	2.029	50	40	EEGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)C(C)(C)C	408784686	WIVAQPSJKHVIBK-GZTJUZNOSA-N	343.424	2.130	50	40	EEGB	
CCCCCn1nc(C)c(/C=N/NC(=O)c2ccc[n+]([O-])c2)c1C	3168511	ZBBFSOJINKFUFR-WOJGMQOQSA-N	329.404	2.087	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1c[nH]c(=O)c(C#N)c1Nc1ccccc1	478600	CQPBMRRLVNQLPQ-XYOKQWHBSA-N	334.335	2.460	50	40	EEGB	
Cc1cc2c(cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-])OCO2	108240795	WNEJUWWMIJAZFK-NVMNQCDNSA-N	341.323	2.325	50	40	EEGB	
CCOC(=O)C/C(C)=N/NC(=O)COc1ccc(Cl)cc1C	4394086	RBLGPLSVUDFCGV-GZTJUZNOSA-N	326.780	2.473	50	40	EEGB	
O=C(NNC(=O)c1cccs1)c1ccc(Cn2cccn2)cc1	14139014	XJNNBTJPQRRCKA-UHFFFAOYSA-N	326.381	2.068	50	40	EEGB	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	4784529	RQPMOLZHGPXCFE-IDUWFGFVSA-N	331.259	2.227	50	40	EEGB	
O=C(N/N=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)cc1	409254527	HYHYNXMNHYBEGQ-QGMBQPNBSA-N	335.722	2.274	50	40	EEGB	
IC[C@@H]1COC[C@@H](COCc2ccccc2)O1	39137868	BAHMEZMZNVFQOY-CHWSQXEVSA-N	348.180	2.422	50	40	EEGB	in-vitro
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	3062124	LSZZLWZPDNQSOR-UDWIEESQSA-N	329.787	2.149	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c(O)c1	17274136	DIOIFGMTCYJISU-UHFFFAOYSA-N	344.367	2.263	50	40	EEGB	
Cc1nc(COc2ccc(/C(N)=N/OC(=O)CCl)cc2)cs1	4285812	PEEAHFUQQBULHJ-UHFFFAOYSA-N	339.804	2.433	50	40	EEGB	
Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2c1	421476	SLDILBMHYFSVRJ-MRXNPFEDSA-N	347.378	2.395	50	40	EEGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1	6595684	ANGSSDOPQCBJEH-UHFFFAOYSA-N	349.437	2.096	50	40	EEGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)C1CC1	4591640	NTYNZEYJHZPNPN-SNAWJCMRSA-N	336.207	2.323	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)c(C(=O)O)c1OC	4737646	ITTZWOVRBQPDEH-VCHYOVAHSA-N	328.324	2.166	50	40	EEGB	biogenic
CCN(CC)c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1	9314092	LIHUNUXQXGLJNA-SDNWHVSQSA-N	337.431	2.430	50	40	EEGB	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)N/N=C/c1ccc(F)s1	252489664	JVTYVAOOUUYQPM-DZYDPXEMSA-N	339.352	2.087	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc2c(c1)OCO2	1015303	FCFWFQIZMIZOKO-FRKPEAEDSA-N	328.353	2.197	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C	100260221	RZDSRRVVVJVDHU-SKTBVBMLSA-N	330.384	2.267	50	40	EEGB	
O=C(CBr)c1ccc(S(=O)(=O)N2CCCC2)cc1	3379343	DNFXLQROGLQKEF-UHFFFAOYSA-N	332.219	2.049	50	40	EEGB	in-vitro
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	4679609	SIDBNAWVBPPFRT-WSDLNYQXSA-N	347.374	2.468	50	40	EEGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(N)=O)cc1	409218585	GKAOTKHHRUYVRF-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@H]2C1	267279	STKLZHWEOUVTRO-ROUUACIJSA-N	344.422	2.215	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	101206131	BTKBPRDHJMENNJ-SDXDJHTJSA-N	338.323	2.095	50	40	EEGB	
N#CC(C#N)=CNc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	7159017	MBTGQZKAQGACJB-UHFFFAOYSA-N	343.412	2.280	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020387	HXAOFHOXTGFONW-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)C[n+]1cccc(C)c1	5547866	PMHDFAKSSQYEQJ-AUKAFYEZSA-O	339.375	2.396	50	40	EEGB	
COc1ccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1	11582533	XPSKEKVSIMXIHM-UHFFFAOYSA-N	329.312	2.133	50	40	EEGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1	5776708	IQZMFLQTZFVHEG-GIJQJNRQSA-N	337.291	2.465	50	40	EEGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(F)cc(F)c1	8029165	AGXNATOASAKHRV-UHFFFAOYSA-N	345.349	2.179	50	40	EEGB	
O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cnccn1	9498394	HNRQSCZCBLAZNI-UHFFFAOYSA-N	342.355	2.419	50	40	EEGB	
O=C(CSS(=O)(=O)O)Nc1nc(-c2ccccc2)cs1	3666015	GIYXDTBASWDLIY-UHFFFAOYSA-N	330.412	2.285	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OCC)cc1	44841952	OXZHHGAGKWCJSQ-CQSZACIVSA-N	338.791	2.495	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1[N+](=O)[O-]	409207197	QHIIIATXVWLRDP-YRIIZNAFSA-N	338.323	2.361	50	40	EEGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(F)c1	36201098	KDMNWEFRYZADPM-QGMBQPNBSA-N	328.259	2.075	50	40	EEGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	37154159	ZKLBFLFHTGGBAY-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC(=O)OC	408777095	VKIYDVCDOOHRBQ-YBEGLDIGSA-N	342.395	2.398	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1O	5541501	SAQPNRUCDYNVEM-CAOOACKPSA-N	346.412	2.050	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=S)NCc2ccccc2)cc1C	15872824	FELKMAMSDONPKF-UHFFFAOYSA-N	343.452	2.378	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2cccs2)c(OC)c1	1413018	FFPICOIDDVBDCQ-UHFFFAOYSA-N	337.426	2.397	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1	59515922	MUNZJQFBGHBJSC-UNOMPAQXSA-N	328.368	2.405	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1	52411960	SQHASIRULVBFRP-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(=O)O	33721662	KNOJQIRLQOUTBT-JYRVWZFOSA-N	344.367	2.124	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)c2[nH]ncc2Br)cc1	362172	ZLWGIFBVWLHCMT-VIZOYTHASA-N	336.193	2.002	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1	13921619	MRCVHRAWRORQPA-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1	100422965	IITOYRIYIMEOMT-VBKFSLOCSA-N	335.367	2.013	50	40	EEGB	
O=C(Cc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc(F)cc1	320613	BVKMTUHQUMYRLP-UHFFFAOYSA-N	342.779	2.031	50	40	EEGB	
C=CCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21	101954108	WUBYSUJINFRYKS-ZBJSNUHESA-N	349.390	2.427	50	40	EEGB	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)c3cccs3)cc2NC1=O	5823466	RHCNUIVIAXITNW-QMMMGPOBSA-N	347.421	2.256	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	5670055	VDEZOEBSSZIXHJ-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)C(C#N)=C(N)O2	1582460	RMEPMOIEPBKECI-UHFFFAOYSA-N	325.328	2.453	50	40	EEGB	
COc1cccc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c1O	106410740	AKTLRKIYIHUVOW-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
COc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)o2)cc1	104286722	PJTIKPXKMAEZRH-XFXZXTDPSA-N	330.369	2.163	50	40	EEGB	
O=C(O)CSC/C(=N\NC(=O)c1ccncc1)c1ccccc1	18192817	UEWODIUIJNVWBI-NBVRZTHBSA-N	329.381	2.034	50	40	EEGB	
CSc1ncc(C(=O)NNC(=O)c2ccco2)n1-c1ccccc1	8745586	XHQGCCZDMPPKFB-UHFFFAOYSA-N	342.380	2.262	50	40	EEGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Cl)cc1Cl	4602064	XSTMAXIHNUBWTL-NXEZZACHSA-N	342.631	2.128	50	40	EEGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1	409318455	VTIXVMKEVFUVHA-MOSHPQCFSA-N	338.363	2.480	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)NC1CCCCC1	192081	QQBBHTMPZBPQSY-UHFFFAOYSA-N	347.444	2.318	50	40	EEGB	
CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1	25468346	KMNOEWQIIITHGG-UHFFFAOYSA-N	325.368	2.356	50	40	EEGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(O)cc1O	100043119	GWIFHUOCKXSRBH-UDWIEESQSA-N	341.367	2.357	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc([N+](=O)[O-])c1O	83321733	CWVFPXHNZHLUAE-MFOYZWKCSA-N	329.312	2.381	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OC	16437521	CCFFADLEHQVHQB-AAWPKVBNSA-N	330.384	2.296	50	40	EEGB	
CN(C)C[C@@]1(C=O)CC[C@@H](Br)[C@H](Br)C1	1717976	NKMVPQUAEQLEAN-OPRDCNLKSA-N	327.060	2.444	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc2sc3ccccc3n12	104767109	ZIJAYIRDERNIQP-HJWRWDBZSA-N	329.410	2.361	50	40	EEGB	
Cc1cc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)[nH]n1	4679171	MDNZJUVIAVENJV-LICLKQGHSA-N	338.327	2.181	50	40	EEGB	
Cc1ccn2c(/C=C(\C#N)C(=O)NCCCOC(C)C)cnc2c1	96424780	RQNSCGRXJDCYLG-XNTDXEJSSA-N	326.400	2.481	50	40	EEGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(C)c2)[C@@H](C(=O)O)C1	2797251	FCQUMWILAZJEEA-GJZGRUSLSA-N	330.384	2.203	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C3CCCC3)CC2)cc1	54872861	FMVZVAXQDMAORK-UHFFFAOYSA-N	342.443	2.444	50	40	EEGB	
C/C(=N/NC(=O)c1cccnc1)c1c(C)nn(-c2ccccc2)c1O	36127441	WIQYFMKEQVUHPE-NDENLUEZSA-N	335.367	2.435	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1O	582397	SSKUAUPWFUOUNK-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1O	15231276	ZSPWCZSCVNDTEJ-WTKPLQERSA-N	325.162	2.158	50	40	EEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1	3080155	YCZKFWWHWGIUOK-RGVLZGJSSA-N	327.384	2.457	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1)C(=O)O	59302910	CMQPNFPFHMADGF-KZKLBEMASA-N	326.352	2.231	50	40	EEGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	5817596	RUBWMWXAKBDPHG-ZBFHGGJFSA-N	335.436	2.493	50	40	EEGB	
CSC[C@](C)(O)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	252513140	XNRQWJXGVUBBRU-XKAARJIMSA-N	336.295	2.170	50	40	EEGB	
COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1	1633502	FGVCQTXATMPVLT-LSDHHAIUSA-N	346.770	2.237	50	40	EEGB	
O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)OCCCBr	1681683	PXILRXPOJWHGBV-UHFFFAOYSA-N	332.106	2.235	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2C)cc1	1801246	CDEGOHCXNVDEPC-UHFFFAOYSA-N	342.395	2.163	50	40	EEGB	
Cn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21	100498544	QGFZYHAVWSTHOQ-KEBDBYFISA-N	339.326	2.147	50	40	EEGB	
CC(=O)NNC(=S)N/C=C(/C(=O)c1ccccc1)c1ccccc1	104305205	BYPYEAXSKPJHRM-FOWTUZBSSA-N	339.420	2.426	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC[C@@H]1C2)N/N=C1\C[C@@H]2CC[C@H]1C2	39345210	OQRHGVOIXFORFS-YVJHITRFSA-N	330.432	2.351	50	40	EEGB	
C#CCn1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	487374	YJJKSXYYRUGCAT-DBRLUCFCSA-N	331.375	2.458	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccccc1	383355	ZXYPNRZATKWCHQ-ZDUSSCGKSA-N	326.381	2.244	50	40	EEGB	
N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccccc1Cl	3073393	DVPYNSDSJJYAKD-VIFPVBQESA-N	332.772	2.304	50	40	EEGB	
C=CCN1C(=O)/C(=N/NC(=O)COc2cccc(C)c2)c2ccccc21	102964666	GBDLJRPQVWTXSC-ZBJSNUHESA-N	349.390	2.427	50	40	EEGB	
COC(=O)CCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	3183450	WUDZFBWXILDVPZ-UHFFFAOYSA-N	326.352	2.068	50	40	EEGB	
CCCCc1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	8568096	LWVIXJTXQWBNPB-LJQANCHMSA-N	349.394	2.101	50	40	EEGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)NC2CCCC2)c1O	409191180	UJFNCHQRKJCBLC-WDZFZDKYSA-N	331.328	2.275	50	40	EEGB	
C[C@H](CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1	111442668	VQZYZXLBKBUOHE-SECBINFHSA-N	326.399	2.208	50	40	EEGB	in-vitro
CN(C)c1cccc(C(=O)NNC(=S)NCc2ccccc2)c1	6568814	AXMNZUNEGQHKHA-UHFFFAOYSA-N	328.441	2.062	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)c2cccs2)ccc1OCC(=O)O	8044604	PPIKPFKYZDGQGE-LICLKQGHSA-N	348.380	2.374	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1F	12137225	OSQLXGCHILGRDL-UHFFFAOYSA-N	329.331	2.006	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	59503415	BDVNCNYPLOGPJW-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(Cl)c2)c1	3555078	BOQGROZRQFXMIG-UHFFFAOYSA-N	334.759	2.432	50	40	EEGB	
O=C(NNC(=S)NCCCc1ccccc1)c1cccc(O)c1	408587998	VSXRQZGQQAJQEY-UHFFFAOYSA-N	329.425	2.134	50	40	EEGB	
C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1csc(N)n1	4320345	NTCTYOIHRNVDDU-RGVLZGJSSA-N	345.428	2.097	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1	408731129	JCDPCAJBTGJSFF-XDHOZWIPSA-N	335.367	2.173	50	40	EEGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C	5548655	AWXYFKRONNCPPN-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
CCOc1ccc(N2C[C@H](C(=O)N/N=C/c3ccco3)CC2=O)cc1	6962948	ZLYLYAWDRURFRO-OTGIAGGSSA-N	341.367	2.182	50	40	EEGB	
O=C(CN1CCCc2ccccc21)NNC(=O)Nc1ccc(F)cc1	12543996	ARHVUIALZWGCFE-UHFFFAOYSA-N	342.374	2.431	50	40	EEGB	
O=P(O[C@@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1	8036063	BIQYQXHKPUDWSL-CQSZACIVSA-N	336.349	2.119	50	40	EEGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)cc1	7393228	LXBISTZNCMGOKF-UHFFFAOYSA-N	334.339	2.474	50	40	EEGB	
O=C(CCCCC(=O)N/N=C/c1ccco1)N/N=C\c1ccco1	8642486	DUOJGMBENABMRK-MJZABRMRSA-N	330.344	2.033	50	40	EEGB	
N#CCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	28214264	GDIQRMHDUOHHRY-UDWIEESQSA-N	336.351	2.068	50	40	EEGB	
Cc1ccc(COc2ccccc2/C=C/C(=O)NNC(N)=S)cc1	62715355	REBTVZNWKDMMGS-ZHACJKMWSA-N	341.436	2.452	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(OC)c1	409149865	SSDAFBMAMCNPFZ-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1O	252866	YOAWSXXRODHPJP-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	18276332	IWQGTWVTZZTBFC-UZYVYHOESA-N	337.379	2.261	50	40	EEGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(C(=O)O)cc1	8124767	PXQSWYWVLPYBBJ-UDWIEESQSA-N	337.379	2.288	50	40	EEGB	
COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409250976	ZELWOJBBGVICNI-JAIQZWGSSA-N	344.342	2.070	50	40	EEGB	
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)cc1	17526690	IGXUXKJZYJYXQQ-UHFFFAOYSA-N	326.352	2.125	50	40	EEGB	
O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccccc1CF	2711714	IDYVJJAMECBEFL-FYJGNVAPSA-N	327.359	2.426	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cccc1[N+](=O)[O-]	59937639	NCJVTPRONYXPDH-RQZCQDPDSA-N	327.296	2.365	50	40	EEGB	
C/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(C)C	21966763	KKQNZHCWBTUODO-YVLHZVERSA-N	340.221	2.327	50	40	EEGB	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC(c2cccc(F)c2)=NO1	44845174	VZDSZPJCIDDGLN-HNNXBMFYSA-N	344.302	2.370	50	40	EEGB	
CN(NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	65551735	SSICVFCEFHUFSR-UHFFFAOYSA-N	341.455	2.487	50	40	EEGB	
CCc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1	575420523	BOJPERBUFOTHEV-BDAKNGLRSA-N	338.907	2.001	50	40	EEGB	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OCC	2775589	BFTUWDBSGJFAHB-RVDMUPIBSA-N	330.384	2.250	50	40	EEGB	
CCc1c(C(=O)NNC(=O)CC(C)C)cnn1-c1ccc(F)cc1	24661417	XFGXIHLRZVZGMM-UHFFFAOYSA-N	332.379	2.381	50	40	EEGB	
C[C@@H](Sc1nnnn1C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104577771	HCDBPJUQLRKIGE-MZTZJWPHSA-N	344.425	2.213	50	40	EEGB	
O=c1c2cc(-c3ccccc3)nn2ccn1Cc1noc(CCl)n1	57352217	RDCIPTVVCZXMAZ-UHFFFAOYSA-N	341.758	2.333	50	40	EEGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccc(F)c1	4826170	VRFZSYHMVHWWMH-FYJGNVAPSA-N	327.359	2.290	50	40	EEGB	
O=C(NNC(=O)c1cccnc1N1CCCCC1)c1ccc(F)cc1	125843718	MAXUEPATQNELNS-UHFFFAOYSA-N	342.374	2.286	50	40	EEGB	
C/C(=N\NC(=O)c1cccnc1)c1c(C)nn(-c2ccccc2)c1O	5955627	WIQYFMKEQVUHPE-UDWIEESQSA-N	335.367	2.435	50	40	EEGB	
COC(=O)N[C@](C#N)(C(Cl)Cl)[C@H]1CCC=C1N1CCOCC1	101411797	NYUODDVJIISVCR-HZMBPMFUSA-N	348.230	2.035	50	40	EEGB	
C/C(=N\NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(C)(C)C	4502908	LTCUHFAVFDLNCJ-GHRIWEEISA-N	339.461	2.299	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	408727850	GUEPLNDLXLPAPC-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
O=C(N/N=C/c1cccs1)c1ccc(CN2CCOCC2)cc1	44859832	VKZABSLIBZJKQF-LDADJPATSA-N	329.425	2.344	50	40	EEGB	
CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	262277	NZEYWBNQKCRBFO-AWEZNQCLSA-N	347.242	2.102	50	40	EEGB	biogenic
O=C(COc1cccc(Cl)c1)N/N=C1/C(=O)Nc2ccccc21	5093766	IQPVTTCKAIDPJI-UHFFFAOYSA-N	329.743	2.191	50	40	EEGB	
O=C(CN1CCCCC1)N/N=C/c1cccc(OC2CSC2)c1	408858713	LBWDSTGJZHOUFZ-VCHYOVAHSA-N	333.457	2.117	50	40	EEGB	
O=C(NCCc1ccccc1)C(=O)N/N=C\c1c(F)cccc1Cl	408753874	RHCVBHYSSOKUPB-NHDPSOOVSA-N	347.777	2.288	50	40	EEGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1	409362501	GSBZXJBDFMAPQT-NDENLUEZSA-N	340.379	2.405	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1OC	3168341	OMWJVCXWCHOMLU-UDWIEESQSA-N	349.431	2.096	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)c(OC)c1	5543184	UBARLQJGOKUTFH-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COc1ccc(/C=N/NC(N)=O)cc1OC(=O)c1ccc(C)cc1	478838	BIQMAOBMIKEHBY-VXLYETTFSA-N	327.340	2.225	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCC#N)c2)c1	107715778	ZYJLGBREUAYFEJ-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(OC)c1	8733189	NLTMZHLVWZONLQ-GFCCVEGCSA-N	343.221	2.314	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1[N+](=O)[O-]	2711721	TXOJQBPXZJUFAS-MHWRWJLKSA-N	328.284	2.196	50	40	EEGB	
CC1(C)[C@@]2(C(=O)N/N=C/c3ccc(O)cc3O)CC[C@@]1(C)[C@@H](O)C2	100867358	SLJZDUYMZZFUJQ-CECYCZIUSA-N	332.400	2.125	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1ccccc1	561508	KAGGLQJRWYBZJI-IREQLNLFSA-N	333.731	2.432	50	40	EEGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccncc1	13286164	GDTHETCYHZFQHG-UNOMPAQXSA-N	339.355	2.354	50	40	EEGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccccn1	100527401	NTQLHSYQXLZFIG-YBFXNURJSA-N	341.327	2.124	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccccc1O	3471697	HXIZECXAKKXQQS-GZTJUZNOSA-N	331.397	2.054	50	40	EEGB	
CCCCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2	8721230	HGEHORIKNDTKEH-LJQANCHMSA-N	349.394	2.385	50	40	EEGB	
CCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl	5500963	DGUCJCGNRLKPBG-UHFFFAOYSA-N	332.187	2.270	50	40	EEGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	6683802	GFGDBKUGSRRQTN-YBFXNURJSA-N	342.351	2.313	50	40	EEGB	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	2767805	GHPJFBHAURESQT-HVIDBACLSA-N	348.271	2.014	50	40	EEGB	
Cn1nccc1CNC(=O)NNc1ccc(OC(F)(F)F)cc1	46941465	WBKPQMWWXZXTAZ-UHFFFAOYSA-N	329.282	2.145	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@@H]2C1	13511407	HMHOHNATOAWTIG-QZTJIDSGSA-N	344.422	2.217	50	40	EEGB	
Cc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1C	408784201	PGSRZOQLORIXHS-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(N)=O	3238385	KBUWWCNCBZGKLE-LZCJLJQNSA-N	345.978	2.309	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	60312	YXICMKLIRVTQSN-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(-n2nc(C)c3c(C(=O)NN)cc(C4CC4)nc32)cc1	12395089	RTJWUPVYCJUSEW-UHFFFAOYSA-N	337.383	2.218	50	40	EEGB	
N#Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	5557668	MNNFQXPGIJGPDU-UHFFFAOYSA-N	344.168	2.396	50	40	EEGB	
COc1cc(SC#N)ccc1OCC(=O)N(CCC#N)CCC#N	95452294	BWATZVPVIGKGLI-UHFFFAOYSA-N	344.396	2.303	50	40	EEGB	
CC(=O)O[C@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	36034649	MALAWQUOUSCHNB-ZTYPAOSTSA-N	325.636	2.381	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)cc1	8084902	WTMXSMOPJKPCCC-UDWIEESQSA-N	339.351	2.127	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1	3124228	GXIHTSKLAZROAO-RQZCQDPDSA-N	337.295	2.008	50	40	EEGB	
CCc1ccc(C(=O)NNC(=O)c2cccc(NC(C)=O)c2)cc1	5273254	ZRVXZFDLYFDUBX-UHFFFAOYSA-N	325.368	2.282	50	40	EEGB	
Cn1c(C(=O)NNC(=O)c2ccncc2)cc2cc(Cl)ccc21	4675459	FNXXENSWLUZGJJ-UHFFFAOYSA-N	328.759	2.302	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1O	582152	XOXMOKUEUGEHSL-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
O=S(=O)(O)c1cc(N=C=S)cc2c(S(=O)(=O)O)cccc12	2384905	VBNBCMZEYBETOG-UHFFFAOYSA-N	345.379	2.068	50	40	EEGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccccc1O	4557277	FXXXNMDODPMWLZ-XDHOZWIPSA-N	330.413	2.432	50	40	EEGB	
CCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(CC)c32)c2ccccc21	12858543	BXOMRVJRDLNODX-LJQANCHMSA-N	349.394	2.101	50	40	EEGB	
O=C(NN/C=C1/C(O)=NN=C1C(F)(F)F)c1ccc(Cl)cc1	12957482	XVLRJRMQHMAJHP-VMPITWQZSA-N	332.669	2.347	50	40	EEGB	
COc1ccccc1/C=C/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12	6211163	AYDVREYLTKKARQ-HOGMWEGNSA-N	348.362	2.361	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1C(=O)O	409021172	YOOILLSSZSBVGX-LZYBPNLTSA-N	328.353	2.166	50	40	EEGB	
COc1ccc(/C(C[C@H]2OC(=O)c3ccccc32)=N\NC(N)=O)cc1	387529	BTEQIWOOAIBYES-RUAUKMDKSA-N	339.351	2.369	50	40	EEGB	
C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccccc1[N+](=O)[O-]	5494687	JKULHKSKDOEWIX-GZTJUZNOSA-N	338.327	2.145	50	40	EEGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc(O)c2ccccc2n1	17781925	IFPCDJLGQZGKKE-RQZCQDPDSA-N	337.295	2.008	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	1421699	BJETVBDTMYAJQJ-RVZJCZPVSA-N	337.379	2.198	50	40	EEGB	
O=C1CCN(S(=O)(=O)CBr)[C@H](c2ccccc2)C1	583651030	DQEBJNWDKHGDPC-LBPRGKRZSA-N	332.219	2.075	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1	129250	NJOGEDFGSGIZEK-UHFFFAOYSA-N	328.368	2.152	50	40	EEGB	
Cc1noc(C)c1CC(=O)NNC(=O)c1cc2ccccc2cc1O	32843945	XNHHKTNULPBSEN-UHFFFAOYSA-N	339.351	2.154	50	40	EEGB	
CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58883203	MNFOJSPEWILHCE-ODLFYWEKSA-N	325.368	2.483	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2cccc(OC)c2)c1	408862179	DELBXROMMKVPAH-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
O=C(CCc1ccccc1)NNC(=O)COc1ccccc1Cl	4996290	PKFCHNZMONXZQU-UHFFFAOYSA-N	332.787	2.499	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC	408871663	IGEIOLZTFDEYBY-MFOYZWKCSA-N	345.311	2.082	50	40	EEGB	
CCCCO[C@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	57993904	JRGJVBRZUOKPSG-CABCVRRESA-N	336.432	2.423	50	40	EEGB	
Cc1cnc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1	6220243	VKZFCKZUDOMVGJ-UHFFFAOYSA-N	328.416	2.153	50	40	EEGB	
COc1cc(/C=N\NC(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1	409217428	UTWJHHYNDLWIAX-NVMNQCDNSA-N	344.327	2.185	50	40	EEGB	
O=C(N/N=C\c1cccnc1)C(O)(c1ccccc1)c1ccccc1	33286557	YLVBBPAOJALWCA-JCMHNJIXSA-N	331.375	2.468	50	40	EEGB	
CCC(CC)=NNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O	408730667	SZJVPIAKUQWXFE-UHFFFAOYSA-N	345.852	2.398	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1	220629	QMPZFFOGMSJFSQ-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1c[nH]c2ccccc12	3081067	MZBGCMPSQAYPLB-LSHDLFTRSA-N	338.342	2.187	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1OC	3115848	BIHCPXJWESNBPM-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(Cl)cc1	16050282	OERVEIXYLHPRTI-UHFFFAOYSA-N	341.754	2.256	50	40	EEGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)C(=O)NCc1ccco1	16764495	LXYNZMQDKYMLAO-ZRDIBKRKSA-N	325.324	2.187	50	40	EEGB	
O=C(N/N=C/c1ccco1)C1CCN(C(=O)c2ccccc2)CC1	409006549	OWHDVTQJOXUUOP-CPNJWEJPSA-N	325.368	2.282	50	40	EEGB	
COC(=O)C1CCN(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)CC1	32035762	MAYAPALBSAPWRZ-ACCUITESSA-N	331.347	2.057	50	40	EEGB	
CNc1nccn2cc(C(=O)N/N=C/c3ccc(Cl)cc3)nc12	43761212	NQCKOMHHVVYYER-UFWORHAWSA-N	328.763	2.188	50	40	EEGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccn1	100527397	ROIUSTCIAIOQPX-UDWIEESQSA-N	326.356	2.225	50	40	EEGB	
Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2c1	421477	SLDILBMHYFSVRJ-INIZCTEOSA-N	347.378	2.395	50	40	EEGB	
N#CCOc1ccccc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2	409262401	ILBHUKBYFPALBV-RGVLZGJSSA-N	337.335	2.010	50	40	EEGB	
C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	2650102	HMHSTTNHDAJTHF-NSHDSACASA-N	330.837	2.427	50	40	EEGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)NC(N)=O	409230551	ZINOKQORWONHCX-SXGWCWSVSA-N	346.346	2.239	50	40	EEGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)[C@H]2C(C)C)cc1	4778612	OYIGVFNGWFXBIV-OAHLLOKOSA-N	344.864	2.049	50	40	EEGB	
C[C@H]1CCN(CC(=O)NNC(=O)C2CCC2)c2ccccc2S1	84700104	DQTZYMZSCDDIFS-LBPRGKRZSA-N	333.457	2.325	50	40	EEGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)COc1ccccc1	5925684	VFWXFQSAPZWXKE-UHFFFAOYSA-N	348.786	2.254	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c1	34896088	WXOMJIMUCKAIEE-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1	59515601	KSWXPHNKQFGCSJ-ZXOFLVKFSA-N	338.411	2.080	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)OC2=O	4994559	KZNLCPRKZFLQGR-CVEARBPZSA-N	333.344	2.160	50	40	EEGB	
COc1cc2c(cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)OCO2	409052280	GZJSENVELNGRHF-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1	5580024	DRUIFSCTXCXRBM-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3080381	PJBDNVXBXVJEHL-FYJGNVAPSA-N	339.395	2.242	50	40	EEGB	
CC(=O)c1c(NNC(=O)CSc2ccccc2)oc(C)cc1=O	4619304	PUXGQJARLVEPQV-UHFFFAOYSA-N	332.381	2.386	50	40	EEGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc(N2CCOCC2)cc1	5516999	FOVILHBPZUMGLX-XSFVSMFZSA-N	339.395	2.383	50	40	EEGB	
NC(=O)COc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1	408904657	MTDRLPKPUZWBHX-OCKHKDLRSA-N	346.774	2.360	50	40	EEGB	
O=[P@@](NCCCO)(OCCCl)N(CCCl)CCCl	1672173	FQWNGSKQHPNIQG-SFHVURJKSA-N	341.603	2.102	50	40	EEGB	in-man
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1cccc(Cl)c1	59444370	PKDBBYPGXGYFLM-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
COc1cccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1	408903985	CAOVHAXKZROBGR-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)c2ccccc2C1=O	2549785	DMXVFPWZHHIBNT-VIFPVBQESA-N	334.331	2.029	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2)cc1	1956197	DKYJLEXSEWSVPJ-KGENOOAVSA-N	338.411	2.023	50	40	EEGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1Cc2ccccc2O1	32780884	OUARIDHHJCAPLH-OAHLLOKOSA-N	330.771	2.034	50	40	EEGB	
Cc1cccc(S(=O)(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	9386847	YARIPVUQFUXBSS-UHFFFAOYSA-N	343.408	2.029	50	40	EEGB	
O=C(CC(=O)N/N=C\c1ccc(Cl)cc1)NCc1ccccc1	408754410	UFQWRRSNJNZUGC-NDENLUEZSA-N	329.787	2.497	50	40	EEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2ccccc21	32655529	SWAQUCJTGIQFLR-CJMVGXJBSA-N	325.324	2.359	50	40	EEGB	
COc1cc2c(cc1/C=N/NC(=O)[C@@H](C#N)c1ccccc1)OCO2	8114074	KFFJLPKFXTVYMG-ANKPHQHTSA-N	337.335	2.181	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)ccc1O	8367779	QFNYGPSLXQWFNG-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	59408	CPSDTXIIGFORNL-ZDUSSCGKSA-N	325.280	2.075	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@@H](C)C2)cc1	7340582	UBXHCQVCGRDMJA-OAHLLOKOSA-N	346.475	2.026	50	40	EEGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCCOC)cc(OCC)c1O	408797671	GVXFYIZDCTWVBL-XNTDXEJSSA-N	330.384	2.189	50	40	EEGB	
Cn1nc(C(F)(F)F)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253404964	ROAFWADIKBHWCA-GFCCVEGCSA-N	338.289	2.254	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(F)cc1	2132136	AFNKEUZULHMDRQ-UHFFFAOYSA-N	329.331	2.006	50	40	EEGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	4699987	MRTQMANMOHCMLW-SKCQWOFPSA-N	326.352	2.379	50	40	EEGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(F)cc1	4808680	YBRBSNPBFGTUEF-FYJGNVAPSA-N	327.359	2.290	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1	408994807	JJQDBOJWLBZDFV-WOJGMQOQSA-N	342.355	2.433	50	40	EEGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(N)=O)c2C)c1	409239107	GJGHTCLYTAOUCH-RIYZIHGNSA-N	338.367	2.205	50	40	EEGB	
CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	262278	NZEYWBNQKCRBFO-CQSZACIVSA-N	347.242	2.102	50	40	EEGB	biogenic
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1	2651338	QYSNMYNNOYTATF-UHFFFAOYSA-N	348.786	2.361	50	40	EEGB	
CC(C)c1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cs1	2755024	KGJWSDPDNDNTFF-RYUDHWBXSA-N	336.413	2.300	50	40	EEGB	
CC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1C)c1ccccc1	8089940	WPXYGHFVDUNKIA-QGZVFWFLSA-N	339.395	2.024	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1	9614559	UQXOHJXHYBQQTA-UHFFFAOYSA-N	339.351	2.260	50	40	EEGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(Cl)c1	14005215	AXFMAZGOZIRRBQ-UHFFFAOYSA-N	339.829	2.351	50	40	EEGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2)cc(OC)c1O	60519	ATABETAPFLUVDO-VXLYETTFSA-N	344.367	2.247	50	40	EEGB	
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCC1	4421173	NBCPBVOTJJBHFP-UHFFFAOYSA-N	343.836	2.055	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1	409260561	SAKDKZLTAVFBEU-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1Cl	4602058	XSTMAXIHNUBWTL-VHSXEESVSA-N	342.631	2.128	50	40	EEGB	
O=C(N/N=C/c1ccccc1F)c1c(O)[nH]c2ccccc2c1=O	5819086	IZACUVNXTICOEN-DJKKODMXSA-N	325.299	2.137	50	40	EEGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1CCC1	8242723	IEHPTLIIMQXHBB-SECBINFHSA-N	341.205	2.164	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc([N+](=O)[O-])c1	1956701	YHCXLIQBMYDJTG-MHWRWJLKSA-N	328.284	2.196	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CN(C)c2ccccc2)cc1OC	222778	CJVTTZDMYKWGII-XDHOZWIPSA-N	327.384	2.290	50	40	EEGB	
COc1c(Cl)cc(Cl)cc1C(=O)NNC(=O)c1ccncc1	569100	CYBOZCBSKFPRBW-UHFFFAOYSA-N	340.166	2.472	50	40	EEGB	
CCN(Cc1ccc2c(c1)OCO2)C(=O)NNC(=O)c1cccs1	32794929	VAAMUOWQXOUCAQ-UHFFFAOYSA-N	347.396	2.353	50	40	EEGB	
CC(=O)C/C(C)=N/NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1	100775993	LVXXWRKQQJRRQY-DTQASYIRSA-N	347.400	2.083	50	40	EEGB	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cnccn1	832466	AJOLTBUKQBUUGO-UHFFFAOYSA-N	332.363	2.070	50	40	EEGB	
O=C(NNC(=O)c1cnc2ccccc2n1)c1ccc2ccccc2n1	45617782	NYFWSASEQJBFSU-UHFFFAOYSA-N	343.346	2.253	50	40	EEGB	
Cc1n[nH]c2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	5125958	GXBPKXBRSBNOOA-LBPRGKRZSA-N	331.719	2.498	50	40	EEGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	258826	KXANHAOUPIEWIB-UHFFFAOYSA-N	334.332	2.365	50	40	EEGB	
CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1	505699	HMWZEBFBPVTJPG-CYBMUJFWSA-N	327.384	2.435	50	40	EEGB	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cs1	2755025	KGJWSDPDNDNTFF-NEPJUHHUSA-N	336.413	2.300	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2ccccc2OC)cc1	59449432	JPUPOPFHOULXAM-UHFFFAOYSA-N	331.397	2.335	50	40	EEGB	
Cc1ccccc1CN(C)[C@H](C)C(=O)NNC(=O)c1ccc(F)cc1	8328580	VYFLGYSLGOCCDH-CQSZACIVSA-N	343.402	2.416	50	40	EEGB	
COc1ccccc1NC(=O)N/N=C\c1cccc([N+](=O)[O-])c1O	409089555	OAIKSINUQODNGX-SXGWCWSVSA-N	330.300	2.465	50	40	EEGB	
COC(=O)[C@@H](C)N(CCCl)[P@@]1(=O)OCCCN1CCCl	301054518	YFEUFZCINSWDOQ-SBKAZYGRSA-N	347.179	2.158	50	40	EEGB	
COc1ccc([C@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)cc1	4292525	HVVMXLFBRUJTQZ-SNVBAGLBSA-N	336.277	2.123	50	40	EEGB	biogenic
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1Cc2ccccc2O1	32780882	OUARIDHHJCAPLH-HNNXBMFYSA-N	330.771	2.034	50	40	EEGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)/C=C/c1ccco1	2661811	JQICVWFMHYAAPK-FNORWQNLSA-N	334.759	2.481	50	40	EEGB	
O=C(CNc1cccc(Cl)c1)NNC(=S)NCc1ccccc1	4976597	MHTFJEWUXMDVHW-UHFFFAOYSA-N	348.859	2.447	50	40	EEGB	
N#C[C@H](C(=O)/C(=N\NC(N)=O)[C@H](C#N)c1ccccc1)c1ccccc1	6575531	GBRSKFAVFMUQFI-GPWYXJIBSA-N	345.362	2.195	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2c(C)nc3sccn23)c1OC	59459681	CQPLTOFNERSGJF-RQZCQDPDSA-N	344.396	2.485	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc([N+](=O)[O-])c[nH]1	36649117	WZCONWWTYYWYSG-ZDUSSCGKSA-N	328.328	2.374	50	40	EEGB	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@@H]1Cc2ccccc2O1	71905592	NKCMWMWVISFUDY-AWEZNQCLSA-N	333.819	2.472	50	40	EEGB	
Cc1nc(N)sc1C(=O)N/N=C1/CCCc2oc(C(=O)O)c(C)c21	43955106	XFGMBEWHFBFJOE-LSCVHKIXSA-N	348.384	2.104	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	35494562	WBTDIJRULZLLDN-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)ccc1O	4163080	IQTCHXYOZMFANY-ZDUSSCGKSA-N	326.356	2.465	50	40	EEGB	biogenic,in-vitro
CC(C)Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(O)c1	408588839	JZNPBLRTVUYYFD-HDZGYNCQSA-N	328.368	2.363	50	40	EEGB	
CS(=O)(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12	96295465	HSEONWJOYCKLOQ-ONNFQVAWSA-N	326.175	2.006	50	40	EEGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1	409255898	JITPXKBCVACKCU-CIAFOILYSA-N	339.395	2.282	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1	585128143	TWLJKAXEQSTEJR-QWHCGFSZSA-N	347.553	2.044	50	40	EEGB	
CCCCOc1ccc(/C=C/C(=O)NNC(N)=S)cc1OCC	62715311	FWPVBEAQUCTTQB-VQHVLOKHSA-N	337.445	2.142	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c(O)c1	409390363	CPCXAQWQIVSUCJ-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1	4455392	CZMHUBTXHNHBKG-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1OC	8733052	LAZPDNHPNITYDA-SNVBAGLBSA-N	343.221	2.314	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1	100717029	NWTOYPBJWGMJPX-RRXXAOAESA-N	348.034	2.010	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(OC)c1OC(C)=O	228080	DHDCTWJRADXEIE-RQZCQDPDSA-N	348.380	2.455	50	40	EEGB	
COc1ccc(OC(=O)N/N=C2/C(=O)Nc3ccc(OC)cc32)cc1	59472628	BHTMWWIUSXMALI-UHFFFAOYSA-N	341.323	2.149	50	40	EEGB	
Cc1ccc(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	29897179	WTYBVTVAMFTYPB-UHFFFAOYSA-N	328.393	2.189	50	40	EEGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC(=O)O	408771459	GZQJBOJYKKUDHK-DHDCSXOGSA-N	328.368	2.310	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2ccccc2Cl)C1	575419576	TXCBGFFXIJDUCN-PSASIEDQSA-N	339.269	2.031	50	40	EEGB	
Cc1cc(C)n(CC(=O)N/N=C/c2cccc(Br)c2)n1	188751	BMNJOQJJNZJEPQ-LZYBPNLTSA-N	335.205	2.413	50	40	EEGB	
C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1ccc(Cl)cc1	101158488	IWKRHVILAJOHPE-YRIIZNAFSA-N	337.807	2.131	50	40	EEGB	
Cc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(F)cc1	4691530	YRJVNALJDWGJSG-DHZHZOJOSA-N	328.343	2.374	50	40	EEGB	
NNC(=O)CC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	33373888	PNYGUKOWGQISNF-UHFFFAOYSA-N	336.745	2.350	50	40	EEGB	
COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)ccc1O	83313404	NMUIJJSXGFTHJM-UZUMKDMXSA-N	328.368	2.365	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccnc1	4179159	XYVNCQYGKGAMKX-XDHOZWIPSA-N	339.355	2.354	50	40	EEGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O	13897032	BYWHHWNNRXOMCI-LICLKQGHSA-N	329.312	2.089	50	40	EEGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1ccco1	101391038	AKWHXAOQSKHTOZ-YBFXNURJSA-N	343.339	2.185	50	40	EEGB	
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C(C#N)C#N)o2)cc1	915126	CHRPQHBXXRMFOG-UHFFFAOYSA-N	341.348	2.202	50	40	EEGB	
N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	6864444	PVMNVFJGYILXFL-OAHLLOKOSA-N	332.367	2.109	50	40	EEGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN(C)C)cc2)cc1	8048726	LGJSHXVNAICLGB-UHFFFAOYSA-N	347.440	2.027	50	40	EEGB	
O=C(NNC(=O)c1ccc(Br)cc1F)c1cccnc1	12869984	OBQPKVRRTIPWEJ-UHFFFAOYSA-N	338.136	2.058	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(O)c1	5467309	BIOALICQLOJDAV-YBFXNURJSA-N	344.367	2.329	50	40	EEGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1	4481634	PDOGIPBFHWOQHH-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
CCCc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	70955	ZQMXYQPNRZDYON-CYBMUJFWSA-N	325.328	2.489	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	7009397	PPRGQUIHXLBGMQ-KEBDBYFISA-N	341.367	2.021	50	40	EEGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(O)cc1	9324385	SMSHAGNWSUCZQY-YBFXNURJSA-N	336.351	2.356	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]	59937640	OBPVCZWNMGKSSV-RQZCQDPDSA-N	327.296	2.365	50	40	EEGB	
CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58883210	XLCNECHMRNPWIK-GRSHGNNSSA-N	329.331	2.313	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(C)=N/NC(=O)c1ccccn1	100921299	DWVRCNRJPOVFPF-DDLUMYACSA-N	335.367	2.226	50	40	EEGB	
CC(C)[C@H]1CC[C@H](C)[C@H]([C@@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	102677916	MGXQEUVYHVTMNX-WGDDSDEBSA-N	338.411	2.233	50	40	EEGB	
Cc1ccc(OCCNC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)cc1	59461451	SMYLJAYNHCJONO-VLGSPTGOSA-N	347.374	2.420	50	40	EEGB	
CCOC(=O)Nc1cccc(C(=O)NNc2nc(C)cc(C)n2)c1	14513689	UNUKBWZWUKOHJB-UHFFFAOYSA-N	329.360	2.419	50	40	EEGB	
CC(C)N(C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1)C(C)C	7251328	WDXFWNZHLKKQAE-LBPRGKRZSA-N	348.472	2.396	50	40	EEGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cn2ccccc2n1	73315967	ZHNALJXUYJOGFF-UHFFFAOYSA-N	344.374	2.491	50	40	EEGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NC[C@H]1CCCO1	1456723	NBKHKDIWXZZKMN-KBVBDRTLSA-N	334.759	2.271	50	40	EEGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc([N+](=O)[O-])c1	108981416	PAPBZXYBIMXCFN-YBEGLDIGSA-N	328.284	2.196	50	40	EEGB	
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NNC(=S)NC[C@@H]2CCCO2)o1	12756711	VDRMZRWBKXLZJR-FIYYKNOWSA-N	349.456	2.091	50	40	EEGB	
O=C(NN[C@@H]1SC(=O)N(c2ccccc2)C1=O)c1ccccc1	4540098	MHDUBKJCBANXMU-CQSZACIVSA-N	327.365	2.147	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=N\NC(=O)c3cc4ccccc4o3)ccc21	33280089	UNBHIPZHPRLUQE-JAIQZWGSSA-N	348.362	2.387	50	40	EEGB	
COc1ccccc1/C=N\NC(=O)N/N=C\c1ccccc1OC	31628892	OWGDIIVCTDFKEG-ZAORYEFMSA-N	326.356	2.371	50	40	EEGB	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2F)c1C	568495	KMNYMUOAWSLRGD-UHFFFAOYSA-N	347.346	2.022	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1C	3449398	PWIMDDIKKAYMCA-UHFFFAOYSA-N	341.411	2.209	50	40	EEGB	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Cl)c([N+](=O)[O-])c1	2489625	XQMVIUCNHPKLJU-UHFFFAOYSA-N	333.760	2.466	50	40	EEGB	
COc1ccc(Br)cc1/C=N\NC(=O)c1cnccn1	13896264	FLILUJVHWQCRMO-IDUWFGFVSA-N	335.161	2.012	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c1C	30838766	WPYINRCQTPTITP-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	408939160	MXZNOWDZQINNCX-HMHKGCENSA-N	340.427	2.459	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cc1	36145082	IRKCOYHOEHFYJU-DJKKODMXSA-N	342.355	2.479	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2)N/N=C1\C[C@@H]2CC[C@H]1C2	225727886	OQRHGVOIXFORFS-IDUZMGQDSA-N	330.432	2.351	50	40	EEGB	
Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C(F)(F)F)n1	253398273	GVFJTSLOBATLIG-LLVKDONJSA-N	338.289	2.254	50	40	EEGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2	8445917	CKJUKBCLYKWYTH-UHFFFAOYSA-N	338.323	2.243	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2OC(F)F)n1	11297772	GHCAZWQIYSTREN-JXMROGBWSA-N	332.314	2.185	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	408971370	JFHGGVYJRHFPIB-CIAFOILYSA-N	338.411	2.155	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1	409005290	HDZDYZAJRKPYQD-CPNJWEJPSA-N	331.416	2.374	50	40	EEGB	
Cc1cc(N2CCC[C@@H](C(=O)NN)C2)nc(-c2ccc(Cl)cc2)n1	223466111	VYJOMVXTKRIHPR-CYBMUJFWSA-N	345.834	2.312	50	40	EEGB	
CCO[Si](OCC)(OCC)[Si](OCC)(OCC)OCC	195924347	AKYUXYJGXHZKLL-UHFFFAOYSA-N	326.538	2.162	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccc2c(c1)OCCO2	6295497	GCDNXOIESXIAMQ-CPNJWEJPSA-N	326.352	2.377	50	40	EEGB	
CN(CCO)c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1	20926823	MWGCKRXUBOJTOD-KGENOOAVSA-N	348.406	2.427	50	40	EEGB	
Cc1ccc(N(C(=O)CC(=O)NN)C(=O)c2ccccc2Cl)cc1	1628898	WSMFPBFKZPOQBI-UHFFFAOYSA-N	345.786	2.202	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(OC)cc2)cc1	59472474	IAHYHYGXMIXYEF-UHFFFAOYSA-N	338.367	2.160	50	40	EEGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1O	3471644	IPXHJZKGUMNEPC-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	583780	ADFDWUXXYJVEJP-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1	8994373	PYTKKWBFMKQUSK-GFCCVEGCSA-N	346.408	2.330	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccco2)cc1Br	524904	PWZMFIFWMYUXGK-UHFFFAOYSA-N	339.145	2.126	50	40	EEGB	
COC(=O)Nc1cccc(C(=O)NNc2cc(Cl)nc(C)n2)c1	75092624	LRELRSQULPJEMT-UHFFFAOYSA-N	335.751	2.374	50	40	EEGB	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccc(F)c1	408897458	XBVGEKSPRHMAJB-DJKKODMXSA-N	331.303	2.056	50	40	EEGB	
Cc1c(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cccc1[N+](=O)[O-]	95481308	PBMLIZBADXUCPV-OBGWFSINSA-N	338.323	2.014	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	59101	LYSNTWRBYKDSSD-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2ncccn2)C1	102998684	NFASCSYPGYYLMD-LBPRGKRZSA-N	328.328	2.207	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cccc(F)c1	409135552	QIMGZQSVKYBCGQ-UHFFFAOYSA-N	341.408	2.028	50	40	EEGB	
CCOC(=O)CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	6051462	LHRSOJFAKVYWDF-UHFFFAOYSA-N	336.432	2.084	50	40	EEGB	
O=C(NNC(=O)c1c(F)cc(OC(F)F)cc1F)c1cccnc1	71911615	GRDHDWHSWZUYTR-UHFFFAOYSA-N	343.236	2.036	50	40	EEGB	
CCS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(Br)cc1	96518915	VAKPXHPWPBFMHK-VHSXEESVSA-N	327.627	2.482	50	40	EEGB	
CC[C@H](C(=O)N/N=C/c1ccc(F)s1)n1cc([N+](=O)[O-])cn1	252484605	GAJPVTLOHIFCSU-GCIHHOABSA-N	325.325	2.093	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1	5513559	ZLQIDPBZIYTVCA-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
CCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccco2)cc1	2316585	IHUNVKWDTAHGBY-UHFFFAOYSA-N	347.396	2.018	50	40	EEGB	
COCc1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	4075019	UONOBGKRLGWJEE-OAHLLOKOSA-N	333.351	2.322	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1	260022	DGUOMUGBNIZFCN-XDHOZWIPSA-N	327.384	2.290	50	40	EEGB	
O=C(NNC(=O)c1ccc(F)cc1Br)c1ccccn1	7909683	XSUCYXXHNVTIKL-UHFFFAOYSA-N	338.136	2.058	50	40	EEGB	
CCc1[nH]nc2c1[C@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2	8382713	GWVKOGFSVQRXCV-CQSZACIVSA-N	326.356	2.207	50	40	EEGB	biogenic,in-vitro
COc1ccc(Cl)cc1C(=O)NNC(=O)c1n[nH]c2ccccc12	6648451	RMIDOASKOWUGEB-UHFFFAOYSA-N	344.758	2.300	50	40	EEGB	
COc1ccccc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2	409360388	FDFPXPNRUBQZHR-UNOMPAQXSA-N	326.352	2.159	50	40	EEGB	
CNc1nccn2cc(C(=O)N/N=C/c3ccccc3Cl)nc12	43761214	OTGSJLQWIAZVKP-UFWORHAWSA-N	328.763	2.188	50	40	EEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)Cc1c(Cl)cccc1Cl	5358244	VLSBNMTXFFEWLO-CSKARUKUSA-N	327.167	2.404	50	40	EEGB	
CCOc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1O	506731	KXRIZCRCKHFIOZ-YBFXNURJSA-N	342.351	2.326	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2csc(C)c2)C1	2749604	PSYNERHKHQCQBM-QWHCGFSZSA-N	336.413	2.265	50	40	EEGB	
CCCCSCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	24652953	SAXCIRKEWBEQDC-UHFFFAOYSA-N	332.429	2.371	50	40	EEGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)OC2=O	100834660	KZNLCPRKZFLQGR-HOTGVXAUSA-N	333.344	2.160	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1	409127829	JZDNRVLXVPHFJC-DEDYPNTBSA-N	327.359	2.426	50	40	EEGB	
COc1cc([C@@H]2C(C#N)=C(N)Nc3oc(C)nc32)cc(OC)c1OC	125622	JIKQNNWBIWIJJN-CYBMUJFWSA-N	342.355	2.260	50	40	EEGB	
CCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	6324083	NAPGORYOXCHJBK-CYBMUJFWSA-N	347.415	2.424	50	40	EEGB	
CCSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)OC)C(=O)N1	9332561	ORWUFEPZRFMXEQ-ZIAGYGMSSA-N	330.409	2.486	50	40	EEGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(I)cc1	59333601	QBLQYBYYPKOOGY-YFHOEESVSA-N	326.137	2.286	50	40	EEGB	
C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NNC(=O)C1CC1	65551497	RVHBFRRIRGIHCI-CQSZACIVSA-N	345.443	2.111	50	40	EEGB	
N#C/C(=C\c1cc(Br)cc(Br)c1O)C(N)=O	2165143	SDNBCCDGYFAFEN-LZCJLJQNSA-N	345.978	2.309	50	40	EEGB	
CC(C)(C)NC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408585372	FTMOIPCVIQUYES-UHFFFAOYSA-N	336.373	2.248	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)ccc2OC)c(O)c1	409392704	RKBOSVUMHUXBMK-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1	32259473	XDEUNRHUSDTCJT-LBPRGKRZSA-N	334.372	2.494	50	40	EEGB	
Cc1ccc(/C(=C/C=C(/C#N)C(N)=O)Sc2ncnn2C)cc1	6426500	MTHNHBLXZMSIKZ-PVRNWPCDSA-N	325.397	2.192	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1	102201668	MMHFIMVWQGGKJL-JONQDZQNSA-N	344.411	2.318	50	40	EEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)nc1	8941186	XVWAKSHDXHYQCS-UHFFFAOYSA-N	329.312	2.046	50	40	EEGB	
COCCCNC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	4544491	NCSXGZVXHRJUSF-XFFZJAGNSA-N	339.189	2.214	50	40	EEGB	
NNC(=O)CSc1nnc(Nc2ccccc2)n1-c1ccccc1	358833	YWZCXNLVYLFCJC-UHFFFAOYSA-N	340.412	2.093	50	40	EEGB	
COc1cc(/C=N/NC(=O)/C(=C/c2ccccc2)CCO)ccc1O	2217080	RKBLWHATUCKSIA-NWDFCGOISA-N	340.379	2.317	50	40	EEGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1	4473832	LWWGDOBOTZXJPC-UWOKGBPVSA-N	337.379	2.204	50	40	EEGB	
O=C(CC1(C(=O)O)CCCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2	16481003	YRLVFJGLORQUFQ-UHFFFAOYSA-N	348.443	2.385	50	40	EEGB	
O=C(CNc1cccc(Br)c1)N/N=C/c1cccnc1	60455	QELUSIQAEYCOGJ-GIJQJNRQSA-N	333.189	2.406	50	40	EEGB	
O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccncc1	138182	KGDCIDBWPFGEHO-UHFFFAOYSA-N	342.336	2.279	50	40	EEGB	
Cc1cc([N+](=O)[O-])ccc1P(=O)(O)c1ccc([N+](=O)[O-])cc1C	1870316	UTPUUEZYRXYSBR-UHFFFAOYSA-N	336.240	2.341	50	40	EEGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccs1	569197	BHQQARSLOJTGPA-UHFFFAOYSA-N	325.733	2.385	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c(Cl)c1	1799323	FWOGGQWARYMZIN-VIZOYTHASA-N	342.760	2.252	50	40	EEGB	
NC1=NC(c2ccccc2)=N[C@@]1(CCl)NC(=O)c1ccccc1	27562673	VUTZNJUGJAWKIP-KRWDZBQOSA-N	326.787	2.169	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1	12985268	RDKCMKZERICHIB-KRWDZBQOSA-N	340.379	2.239	50	40	EEGB	
Cc1cc(/C=N\NC(=O)CN2CCOCC2)c(C)n1C1CCCCC1	408991619	OOCNYZUWMLUFAZ-MOSHPQCFSA-N	346.475	2.392	50	40	EEGB	
CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	409014943	QNPPLWBSMVRBNR-YBFXNURJSA-N	325.368	2.483	50	40	EEGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccccc1-n1cccn1	40538612	DRULKGNMQLTLNG-UHFFFAOYSA-N	345.362	2.428	50	40	EEGB	
COc1ccc([C@@H]2[C@H]3CN(C)CC[C@@H]3C(C#N)=C(N)C2(C#N)C#N)cc1	103402226	URHXXNDPZXGTAG-BPQIPLTHSA-N	347.422	2.130	50	40	EEGB	
CC(C)(C)OC(=O)NNC(=O)NC1CCN(Cc2ccccc2)CC1	45029163	GKLBATNBLIBFQT-UHFFFAOYSA-N	348.447	2.390	50	40	EEGB	
Cc1n[nH]c2c1[C@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2	5067937	PHQCHPKZVHBAKL-AWEZNQCLSA-N	336.330	2.466	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c1	581649	HNPAAHBNOJVUKE-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)cc1	362298	MFVBBXXZFUHQSR-VIZOYTHASA-N	337.177	2.335	50	40	EEGB	
Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(F)cc1	482693	IDOWVHHFNWIIRS-GIDUJCDVSA-N	325.141	2.086	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2)N/N=C1\C[C@H]2CC[C@H]1C2	107901325	OQRHGVOIXFORFS-VDRGBLDQSA-N	330.432	2.351	50	40	EEGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccco1	3764528	FSIJMICHNHHOHA-ADFUCPMPSA-N	333.413	2.175	50	40	EEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)ccc1O	4163081	IQTCHXYOZMFANY-CYBMUJFWSA-N	326.356	2.465	50	40	EEGB	biogenic,in-vitro
CN(C)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	17445498	NGBATHGYGHMVSB-UHFFFAOYSA-N	329.425	2.378	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2c(C)nc3sccn23)c1	409017447	WRMMUBXAPRIUDN-RQZCQDPDSA-N	344.396	2.485	50	40	EEGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(N)=O)c1C	6206818	ZMJSQYHSGROFBX-VXLYETTFSA-N	328.372	2.273	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1	8812333	RUMLFFUMFXOPIE-VXLYETTFSA-N	330.315	2.141	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)CCN1CCC(O)(C#N)CC1	101470582	UXKWLEWWZUXPLK-UHFFFAOYSA-N	337.807	2.028	50	40	EEGB	
CCOC(=O)NNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O	78875649	UKQYVPCKMHGEDH-UHFFFAOYSA-N	332.360	2.092	50	40	EEGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	16732624	XWUCAQVWKFLOFS-HTRKUNOGSA-N	332.425	2.020	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(O)c1	4775403	WWQMGTXGVDKXOS-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1OCC	3084802	GFWYENBPOKEOSY-XDHOZWIPSA-N	347.415	2.015	50	40	EEGB	
COc1ccc(C(=O)N/N=C\c2ccccc2C(=O)O)cc1OC	13108969	FSQZSJGKLGBVFG-ZDLGFXPLSA-N	328.324	2.166	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1	1239913	VOJYJPCUOBFFJZ-CYBMUJFWSA-N	346.408	2.330	50	40	EEGB	
Cc1ccccc1OCC(=O)NNC(=O)NCCc1cccs1	12569709	MZYIWZJJYSKQIB-UHFFFAOYSA-N	333.413	2.008	50	40	EEGB	
COC(=O)N[C@@](C#N)(C(Cl)Cl)[C@H]1CCC=C1N1CCOCC1	101411800	NYUODDVJIISVCR-IINYFYTJSA-N	348.230	2.035	50	40	EEGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1	6434646	ZERAMCGZQRJVBC-UHFFFAOYSA-N	334.397	2.017	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCC#N)c2)c1	33692533	CIRZJYCPPFASAT-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	5380930	IQERHFXDGWRWTF-UDWIEESQSA-N	339.395	2.240	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	30802581	YGRKPHRHAWOZAV-ZDLGFXPLSA-N	328.328	2.166	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O)c1ccncc1	59459115	VMZCCISNMAGIJF-DJKKODMXSA-N	337.295	2.008	50	40	EEGB	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2	7404241	CSBIEMOBVGGNRX-UHFFFAOYSA-N	330.409	2.107	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc2c1OCO2	408964256	CMFNCJQKLBDVBK-DNTJNYDQSA-N	341.298	2.199	50	40	EEGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)n1	408980074	UKTOCFYAGQKUHL-UUILKARUSA-N	340.295	2.384	50	40	EEGB	
N#C/C(C(=O)NCc1ccco1)=C1/SCC(=O)N1c1ccccc1	553567	CECZDCNMSFFCIE-VKAVYKQESA-N	339.376	2.411	50	40	EEGB	
CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)OC)=C1C#N	9088887	IDWZHYWKDIGOMD-GFCCVEGCSA-N	346.408	2.330	50	40	EEGB	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2ccccn2)c(C)s1	8196628	UWVGCEYNFLAKPZ-UHFFFAOYSA-N	331.397	2.184	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(O)cc1	408798906	XNDBRKSCZJFBNO-UKTHLTGXSA-N	338.319	2.401	50	40	EEGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccncc1)c1ccccc1	408979038	KWKHIWSFTDJUPU-UOEVCUDDSA-N	340.383	2.409	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(O)c(O)c1	186724	XRPGAFXBHOQHON-CAOOACKPSA-N	342.380	2.217	50	40	EEGB	
Cc1sc(-c2ccco2)nc1C(=O)NNC(=O)c1cccnc1	30552349	VXEWMIRNPZCWGS-UHFFFAOYSA-N	328.353	2.181	50	40	EEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2	291603	AXQQFUIYRITDQF-MRXNPFEDSA-N	338.319	2.348	50	40	EEGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1	59434201	LLNGHJUOOFAEHY-UHFFFAOYSA-N	331.372	2.238	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c1	57476861	CRAZDNKGWWVNGO-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12	6211102	PLPJSSYNTRHSJZ-KEBDBYFISA-N	331.335	2.168	50	40	EEGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(N)=O)c1	408885643	DGIMTDDYKYSVSF-GIJQJNRQSA-N	325.284	2.261	50	40	EEGB	
O=C(COc1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	5786364	SVEGTXSAECGKPF-UHFFFAOYSA-N	328.412	2.429	50	40	EEGB	
Cn1/c(=N\NC(=O)c2ccc3c(c2)OCCO3)sc2ccccc21	4138621	WDNPBFNWEJBHEC-HTXNQAPBSA-N	341.392	2.257	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)Cc2cn3ccsc3n2)cc1	12569767	LIPBZDYZUFCASX-LICLKQGHSA-N	328.397	2.487	50	40	EEGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1C(=O)O	13342916	RUNPPZXDGUCQPH-VXLYETTFSA-N	336.351	2.193	50	40	EEGB	
O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccc2c(c1)OCO2	5164105	MIUOTZOWWQCFRO-DYTRJAOYSA-N	344.326	2.203	50	40	EEGB	
Cc1nc(N)sc1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	42675838	BVQSHSZRFMGUBI-LWOAUJEXSA-N	331.357	2.371	50	40	EEGB	
CN(C)c1nc(/C=C(\C#N)C(N)=O)c(Cl)n1-c1ccc(F)cc1	2657828	PHYRJHZHJXMXEE-VQHVLOKHSA-N	333.754	2.123	50	40	EEGB	
Cc1[nH]nc2c1[C@H](c1ccc3c(c1Cl)OCO3)C(C#N)=C(N)O2	499810	DYNJPGQQXVSVFR-LLVKDONJSA-N	330.731	2.318	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2	6935893	AMVBTMDSJJSXRG-KEBDBYFISA-N	341.367	2.376	50	40	EEGB	
N[C@@H](Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12)C(=O)O	819	DGRNTPAKIUYGJI-ZDUSSCGKSA-N	344.242	2.406	50	40	EEGB	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)COC3)c2ccccc21	64486504	ITNKCHPUJFRWEY-UHFFFAOYSA-N	335.363	2.283	50	40	EEGB	
C/C(=N\NC(=O)c1ccccn1)[C@@H](c1ccccc1)N1CCOCC1	8062914	LIUSPSQMFLMQDE-CQHJRZBDSA-N	338.411	2.261	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccccc2F)sc2ncnc(N)c12	408973191	JTIOQHZJACSELA-CGOBSMCZSA-N	329.360	2.485	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2cccc(F)c2)cc1	32976211	ZSGTZAZQGUQJKK-UHFFFAOYSA-N	330.359	2.157	50	40	EEGB	
CC(C)OC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C	585140952	MCMBCKBDUNKIKM-UHFFFAOYSA-N	331.376	2.170	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1OC	5543181	NZPKQLPGOMIFEV-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COC(=O)[C@H](Br)[C@@H](Br)CBr	100252262	BHLSTJKFRQSGRP-IUYQGCFVSA-N	338.821	2.081	50	40	EEGB	
COCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	4189186	VJCGFNRVDSACMR-ZDUSSCGKSA-N	334.759	2.221	50	40	EEGB	
CCOc1ccc(/C(C)=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1	5155750	GANAIDGQAPCSRY-SFQUDFHCSA-N	345.359	2.039	50	40	EEGB	
C=CCn1c(O)c(C(=O)N/N=C/c2ccccn2)c(=O)c2ccccc21	5817023	TWJFLHOATPZRBZ-CIAFOILYSA-N	348.362	2.052	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	33936228	RUIDLYFNTFIYMC-USXIJHARSA-N	335.436	2.492	50	40	EEGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1	8169274	YLEMZWMSPSFZGV-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c(C)c1	30843113	QDIPKBFLKKZIGQ-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
COc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1C	290042	BWSQZLCLKQMFGE-UHFFFAOYSA-N	348.786	2.497	50	40	EEGB	
CCCOc1ccc(C(=O)NNC(=O)COc2cccc(F)c2)cc1	3400836	YKWDUJKSIWSCGJ-UHFFFAOYSA-N	346.358	2.455	50	40	EEGB	
CCOc1c(Cl)cc(C(=O)NNC(=O)c2ccncc2)cc1OC	12846995	NRPZEQHJWJOUOQ-UHFFFAOYSA-N	349.774	2.217	50	40	EEGB	
Cc1ccc2c(c1)/C(=N\NC(=O)COc1cccc(Cl)c1)C(=O)N2	16102318	PGWDGAQUDOTNCD-UHFFFAOYSA-N	343.770	2.500	50	40	EEGB	
O=C(c1ccccc1)[C@H](CCl)OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2	408666387	PKBPURKOZIBHQC-ARSDKDGVSA-N	348.782	2.218	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1Cl	59515449	LUZWSQXBIWUTMO-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
N#C/C(=C\Nc1cccc(OC(F)(F)C(F)F)c1)c1nnn[nH]1	12957020	DFTQRBSIROYZJC-VOTSOKGWSA-N	328.229	2.413	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1	408972433	BSEHLOQLEPHCSQ-IUOVYFEOSA-N	335.407	2.461	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)c(OC)c1	83317044	KCKBMTKQZHUPPP-DAQNXSASSA-N	328.368	2.278	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(O)c2)c1	582014	SHKUCKZLUYUTDO-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cccc(O)c1	6638155	QNHCHZMYAAHHEW-UHFFFAOYSA-N	328.368	2.356	50	40	EEGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	60392	RUBWMWXAKBDPHG-GOEBONIOSA-N	335.436	2.493	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2C)[C@@H](C(=O)O)C1	2797166	FLRVZCCVABWZMU-CABCVRRESA-N	330.384	2.203	50	40	EEGB	
CCC1=C(C(=O)OC)[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O1	535306	PNCLBVVAKLFMRH-OAHLLOKOSA-N	344.367	2.349	50	40	EEGB	
COC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(C(Cl)Cl)o1	102436132	RWUPKNHFUSBOHM-MRVPVSSYSA-N	344.154	2.190	50	40	EEGB	
COc1cc(Br)cc(/C=C(\C#N)[C@@H](N)C(C#N)C#N)c1O	16194926	PBRLBAOPRFXZNW-IJIUKMTFSA-N	347.172	2.061	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCC#N	408799717	HUQDIPHBEDZZEC-RVDMUPIBSA-N	343.383	2.047	50	40	EEGB	
Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(C(=O)NN)c1	225500576	CBYZWMKKSSUPIR-UHFFFAOYSA-N	339.804	2.053	50	40	EEGB	
CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OC	44027170	QYEIILVBEAAVAJ-RIYZIHGNSA-N	330.384	2.342	50	40	EEGB	
O=C(CCN1CCOC1=O)NN=C(c1ccccc1)c1ccccc1	55114008	FWNNXSGOJHTVGL-UHFFFAOYSA-N	337.379	2.398	50	40	EEGB	
COc1cc(/C=C(\C#N)S(C)(=O)=O)cc(Br)c1O	7714020	BDZSPRDZAGZCMD-FPYGCLRLSA-N	332.175	2.072	50	40	EEGB	
CC[C@H](O)c1ccc(OCc2ccc(C(=O)NN)cc2)c(OC)c1	522932	GQJITVVTUSPGPW-HNNXBMFYSA-N	330.384	2.321	50	40	EEGB	
O=S1(=O)[C@H]2CC[C@H](Br)[C@H]1CC[C@@H]2Br	104214607	RZDTXAKCTKLMRB-DKXJUACHSA-N	332.057	2.253	50	40	EEGB	
COC(=O)[C@@H](Br)[C@@H](Br)CBr	100252263	BHLSTJKFRQSGRP-IMJSIDKUSA-N	338.821	2.081	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1	107770829	WGLYFXJSGFOQRX-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
C[C@H](Cl)C(=O)NCCNC(=O)N1CCC[C@H]1c1cccs1	32815423	ATHQHCPTRDCZCC-QWRGUYRKSA-N	329.853	2.338	50	40	EEGB	
O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1ccc(F)cc1	3191444	JQNBOJDHLKXFOX-DJKKODMXSA-N	344.733	2.251	50	40	EEGB	
CCOC(=O)c1nn(-c2ccccc2)cc1/C=C(\C#N)C(N)=S	19811723	WWLSPQMOHVAPER-DHZHZOJOSA-N	326.381	2.242	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	102316376	TZLHGBGGZHARSI-SLEUVZQESA-N	332.473	2.050	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NCc1ccccc1	2854877	FOGUZHURLBRQHK-MHWRWJLKSA-N	336.347	2.373	50	40	EEGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccccc4)[C@@H]13)[C@H]2Br	102602839	HGPVWMBJGZUJGG-HKLHZYFVSA-N	336.185	2.196	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNc2ncc(Cl)cn2)cc1OC	80343824	WBBGQENQBLIREY-GQCTYLIASA-N	334.763	2.304	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1O	15938744	HVZHYQQLHMNUAM-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c(O)c1	409391592	JYAXASZBPUDBKV-YBFXNURJSA-N	342.351	2.326	50	40	EEGB	
COc1ccc(C(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1	33328651	UBVNAGKWTRKFBV-YVLHZVERSA-N	329.312	2.376	50	40	EEGB	
O=C(CCl)N(c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	217382979	WTBJPFPCFJAFKI-SECBINFHSA-N	340.203	2.238	50	40	EEGB	
COc1ccc(/C(C)=N\NC(=O)CCn2nnc3ccccc32)cc1	536154	OKKPLZXLABKPEQ-UYRXBGFRSA-N	337.383	2.370	50	40	EEGB	
CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21	100436059	OVGALPIFTLXGAX-CAPFRKAQSA-N	343.770	2.216	50	40	EEGB	
CC/C(=N\NC(=O)Cc1cccs1)c1ccc(OCC(N)=O)cc1	372945	FIYWVMATTNGWKD-XDJHFCHBSA-N	345.424	2.085	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])o1	4646443	LKUZUQUARWLJBC-GHKDQAKYSA-N	345.311	2.391	50	40	EEGB	
CC(C)(C)OC(=O)N1CCC2(CC1)C(C#N)=C(N)SC(N)=C2C#N	19852961	OWDFELWQMUVDMD-UHFFFAOYSA-N	347.444	2.138	50	40	EEGB	
Cc1cc(OCC(=O)NNC(=O)c2cccnc2)cc(C)c1Cl	319062	LIRPGLLCPAHESI-UHFFFAOYSA-N	333.775	2.192	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2cccc(C)c2)n1C	104774167	CHVIRWFOHVBEOG-QBFSEMIESA-N	327.413	2.208	50	40	EEGB	
C[C@H]1CCCCN1C(=O)NNC(=O)c1cc(Br)c[nH]1	49339284	YDZYIQZDLMOECH-QMMMGPOBSA-N	329.198	2.006	50	40	EEGB	
O=C(NNC(=O)c1cc(F)ccc1Br)c1ccco1	8238807	MZCJIWZYSYTOMW-UHFFFAOYSA-N	327.109	2.256	50	40	EEGB	
Cn1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc21	408820649	XSMBSPCOIVOANK-SRZZPIQSSA-N	334.379	2.058	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1	5541515	SINWCWFSWVBSAA-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
Cc1cc(SCC(=O)NN)c2cc(Br)ccc2n1	523823	IQGKJOGMRGACFI-UHFFFAOYSA-N	326.219	2.388	50	40	EEGB	
CCCn1c(C)cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1C	25889243	LIHWLYVXWMFOBK-NTEUORMPSA-N	325.420	2.412	50	40	EEGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)cc1	2408197	YJJQMZXTLYSMIG-JLHYYAGUSA-N	346.346	2.188	50	40	EEGB	
O=C(COc1ccccc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4603670	UVUYNJZZOAFTSU-UHFFFAOYSA-N	332.272	2.025	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Sc2ccccc2)o1	408993741	FKPPCIPXNSVQSD-LDADJPATSA-N	345.424	2.213	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1	84041874	SMRVGTXZFZLHFW-BLLLJJGKSA-N	343.383	2.404	50	40	EEGB	
CCn1ncc(/C=N/NC(=O)[C@H](C)n2nc(C)c(Cl)c2C)c1F	252500999	UBHGCQKQQWOKOX-MJRCGYGRSA-N	340.790	2.220	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	3083817	UXMFERZBDUNHSZ-CXUHLZMHSA-N	344.283	2.032	50	40	EEGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnccn1	4867051	XMGHKYCENAYIQB-OCKHKDLRSA-N	337.295	2.409	50	40	EEGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1ccccc1	100577721	KZJSKWCTJNFXDB-UZYVYHOESA-N	348.406	2.221	50	40	EEGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1	409130646	XBDXZWPFMOETAL-KGENOOAVSA-N	341.386	2.355	50	40	EEGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1O	59515539	MQCMJOPEGMUMPI-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)CCOc2ccccc2F)cc1	3327907	QKBNFEKLXZOTNP-UHFFFAOYSA-N	332.331	2.064	50	40	EEGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)C[C@@](C)(O)C3CC3)cc2C1	89930084	WBOLVYXGCWXBSJ-BMLIUANNSA-N	336.457	2.185	50	40	EEGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1	3124226	ZBPBUBBRAJGASZ-GIJQJNRQSA-N	326.743	2.340	50	40	EEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	169879799	ZRFKBIXRYKABGB-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc1OC	409078487	HZBBAXOQSLDLIL-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1[N+](=O)[O-]	487182	RKNVPVMIZSCUCH-DJKKODMXSA-N	346.318	2.305	50	40	EEGB	
O=C(NNC(=O)c1cccnc1)c1ccc(OCc2ccncc2)cc1	32796412	VLPVWDQJJSSZKM-UHFFFAOYSA-N	348.362	2.130	50	40	EEGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@H]1c1ccccc1	6496084	ISIZRKJTLPPPCJ-AWEZNQCLSA-N	341.436	2.381	50	40	EEGB	
CC(C)(C)OC(=O)NNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	18194220	WGLWIOGTHLHVFB-UHFFFAOYSA-N	342.264	2.053	50	40	EEGB	
CCc1sc(C(=O)NNS(=O)(=O)c2cccs2)cc1C	7387135	SKGSSGLINQIVRU-UHFFFAOYSA-N	330.456	2.304	50	40	EEGB	
Cc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1Cl	40177622	GNMNCMWEBAXSSM-LLVKDONJSA-N	336.240	2.407	50	40	EEGB	
COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1ccc(N(C)C)cc1	139160458	CQOKIFKGQXXAIA-RGEXLXHISA-N	347.415	2.017	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc(C)c1	5375390	WQHADTFFCLXGTJ-KRWDZBQOSA-N	342.351	2.116	50	40	EEGB	
Cc1ccc(OC[C@H]2SCCN2C(=O)CCl)c([N+](=O)[O-])c1	159893	VLTSZBLLXJKTSD-CYBMUJFWSA-N	330.793	2.422	50	40	EEGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1	4079626	GKKYJQOPPOPDSL-RGVLZGJSSA-N	327.384	2.457	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1	103108188	QLFJLYFOIWHRKU-XFXZXTDPSA-N	326.274	2.116	50	40	EEGB	
Cc1cccc(C(=O)NNC(=O)CNc2nc3ccccc3s2)c1	12804018	AVBNTBPXQVQWMY-UHFFFAOYSA-N	340.408	2.478	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)c1csc(-c2ccccn2)n1	66014524	PMWRFVUFNNKXTK-UHFFFAOYSA-N	328.353	2.181	50	40	EEGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(N)=O)c1	516844	HJZCBYBYCAHOAE-JLHYYAGUSA-N	346.346	2.188	50	40	EEGB	
O=C(O)CC[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1	3148380	NXLRIQJYIGGIAN-HNNXBMFYSA-N	332.292	2.319	50	40	EEGB	
Cc1n[nH]c(O)c1CC(=O)N/N=C\c1ccc(C(F)(F)F)cc1	35189320	QXUDFESZELSJLE-WSVATBPTSA-N	326.278	2.135	50	40	EEGB	
CC(=O)NNC(=O)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2	585141451	WAEGUUKPIWLORD-ZDUSSCGKSA-N	329.425	2.125	50	40	EEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccs2)cc1	562527	MVKARKLOFTUBHY-LICLKQGHSA-N	332.381	2.454	50	40	EEGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc(Cl)c1	8043082	WFPXPWNCKQQQOE-UHFFFAOYSA-N	344.714	2.334	50	40	EEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2	291602	AXQQFUIYRITDQF-INIZCTEOSA-N	338.319	2.348	50	40	EEGB	
C[C@@H](Cl)C(=O)NCCNC(=O)N1CCC[C@H]1c1cccs1	32815422	ATHQHCPTRDCZCC-MNOVXSKESA-N	329.853	2.338	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(O)c1	501534	NBFJRPSQMOHUDT-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1	409363410	LRZZBQATVYAIIJ-UNOMPAQXSA-N	326.352	2.159	50	40	EEGB	
COc1ccc(Br)c(C(=O)NNC(=O)c2ccco2)c1	9721227	JLQIFFDOBVQPRT-UHFFFAOYSA-N	339.145	2.126	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2ccc(C)s2)c2c(C)noc2n1	84205196	RJEJZQLOTJERDR-UHFFFAOYSA-N	330.369	2.284	50	40	EEGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	36047246	KNBXAYPXOLHHPA-QGMBQPNBSA-N	332.291	2.002	50	40	EEGB	
CS(=O)(=O)SCc1ccc(CSS(C)(=O)=O)cc1	2509794	FJJMUASPEZRNQI-UHFFFAOYSA-N	326.486	2.072	50	40	EEGB	in-vitro
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1)C(=O)O	59302949	WQGAHSNRGVYUIS-VURRPDKYSA-N	330.315	2.442	50	40	EEGB	
CCN1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	12411995	XYDJEGQPZHCVKM-OBGWFSINSA-N	338.323	2.095	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)O	409367520	DALJNFBMCKTODU-NTEUORMPSA-N	344.367	2.078	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1C	5548661	IIRLVORKNYDDFL-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OC	3131933	GUUOOPHUOMNGOY-XDHOZWIPSA-N	325.368	2.346	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1	7812085	BJYZFOZONVCDNT-ZXOFLVKFSA-N	339.395	2.413	50	40	EEGB	
O=C(NN[C@@H]1OC(=O)c2c#cccc21)c1cccc(Br)c1	102813339	WHADYWPSUZOMRF-CQSZACIVSA-N	345.152	2.153	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)Cc1cn2ccsc2n1	12571758	AAPJFRWPGCRBKX-LICLKQGHSA-N	328.397	2.487	50	40	EEGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccccc2)c1O	35406218	XMDAYVDHCMBSCD-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
NNC(=O)CN1C(=O)Nc2ccccc2[C@H]1c1ccc(Cl)cc1	97165873	MQBBMCIXCBCDFG-OAHLLOKOSA-N	330.775	2.267	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C#N)cc1F	408966865	NWQDERAAEYBXCE-DJKKODMXSA-N	342.286	2.378	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)c2cc(C)c(CC)s2)cn1	44976135	RPABTYIYLPKVJI-UHFFFAOYSA-N	333.413	2.487	50	40	EEGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccncc1	102674668	DGUROIBVRGUREP-VDQHWBOFSA-N	333.819	2.420	50	40	EEGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2	408586418	BUAPOKOIEXFRSV-DAQNXSASSA-N	326.352	2.032	50	40	EEGB	
Cc1nn([C@@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252479619	BITFHMKNKDSQMP-SKUMYXODSA-N	325.325	2.012	50	40	EEGB	
C[C@@]12CC[C@H](C3(OCCO3)C13OCCO3)[C@@]2(C)CBr	100175362	AOSQNKXTFPVICJ-TUAOUCFPSA-N	333.222	2.304	50	40	EEGB	
CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccoc1C)[C@@H]2C(=O)O	225636578	QVRCJJDUOXMWKO-DDHJSBNISA-N	346.383	2.042	50	40	EEGB	
O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccncc1	12887810	KEANMTMKKBUXLM-UHFFFAOYSA-N	344.421	2.270	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C)cc2)cc1	1781543	VITVUKNFKHZNAO-KPKJPENVSA-N	340.379	2.243	50	40	EEGB	
CC(C)[C@H](Br)C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1	4772269	FMBWOYZHZAVDEE-AGIUHOORSA-N	339.233	2.357	50	40	EEGB	
C[C@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)CC1	102109519	NWQPHBSLQIUSBP-BWVAZPDUSA-N	338.411	2.268	50	40	EEGB	
Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)C2CC2)c1	3334175	GXDXETOHXXEQKN-UHFFFAOYSA-N	329.356	2.041	50	40	EEGB	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	4739530	CZUWVTDDMOKWLM-YVLHZVERSA-N	327.296	2.478	50	40	EEGB	
O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cnccn1	5946124	RUKWJJUCEYBPIA-OCKHKDLRSA-N	337.295	2.409	50	40	EEGB	
O=P(Nc1ccc(F)cc1)(N1CCOCC1)N1CCOCC1	104495308	JDCDFSYHLVPQGJ-UHFFFAOYSA-N	329.312	2.010	50	40	EEGB	
COc1c(O)ccc(/C=N/NC(=O)Cc2ccccc2)c1[N+](=O)[O-]	3136717	FTKOWVHMKIOZBJ-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C	36020389	SVFADJWQSOBDQE-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)C2CC2)CC1	26967794	BTVUSJYSKCODGM-UHFFFAOYSA-N	346.387	2.002	50	40	EEGB	
O=C(NNC(=O)[C@@H](c1ccccc1)n1cccn1)c1ccccc1F	65736801	OCLJZNALRJZANI-MRXNPFEDSA-N	338.342	2.073	50	40	EEGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1	409266008	VRYUHFNRRKNIFO-KEBDBYFISA-N	345.786	2.121	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1	409101010	WLTQNMVWLLFYIH-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@@H]2C1	5817397	STKLZHWEOUVTRO-QZTJIDSGSA-N	344.422	2.215	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2c(OC)cccc2OC)cc1	508089	WGNFKICBMAYSJE-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(F)c(F)c1	57509009	MMAQUKZDPZVKMI-LBPRGKRZSA-N	330.718	2.375	50	40	EEGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409135286	YBGJQAMMFNMBRE-MRXNPFEDSA-N	337.379	2.203	50	40	EEGB	
COC(=O)NNC(=O)Nc1cccc(COC[C@H]2CCCCO2)c1	47626641	QEWQAXHETBMILL-CQSZACIVSA-N	337.376	2.165	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	3072745	OLIHTMZIUIEHQE-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
CCCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1	12859581	KOIRDEYXBVKKHZ-UHFFFAOYSA-N	339.395	2.458	50	40	EEGB	
C/C(=N\NC(=O)NCCc1ccccn1)c1ccc(N(C)C)cc1	64910654	UONAJMPSKOBICF-KGENOOAVSA-N	325.416	2.414	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	580222	PBYJICXXQWAKBK-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
CC(CO)(CO)/N=C\c1ccc(N(CCCl)CCCl)cc1	104091296	YSXJPVQEBDSHTG-ZDLGFXPLSA-N	333.259	2.133	50	40	EEGB	
O=C(CC1(C(=O)O)CCCCCC1)NNC(=O)c1ccccc1F	13250929	NUAJFKMIJRSFOT-UHFFFAOYSA-N	336.363	2.402	50	40	EEGB	
CCc1noc(C)c1C(=O)NNC(=O)COc1ccccc1Cl	8187131	SZQUHTDRFMKAMO-UHFFFAOYSA-N	337.763	2.039	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)o1	408973263	KWUYFDAGPIDTRU-GDXCHIGESA-N	325.368	2.054	50	40	EEGB	
O=C(CNC1CCCCC1)N/N=C/c1cc2c(cc1Cl)OCO2	409382789	QZMXWELFUKZRCT-UFWORHAWSA-N	337.807	2.441	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc([N+](=O)[O-])c1O	36118596	QOHQVAJDCWGJMM-VZUCSPMQSA-N	343.295	2.125	50	40	EEGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1	5055012	IRCAGUOVCPIUOL-AWEZNQCLSA-N	342.351	2.118	50	40	EEGB	
CCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O	5825991	ACSACFBLGUVVLE-UHFFFAOYSA-N	345.399	2.068	50	40	EEGB	
N#CC(C#N)=C/C(C#N)=C(/N)N1CCN(c2cccc(Cl)c2)CC1	100424093	GWSGUDMKUMDREM-SAPNQHFASA-N	338.802	2.129	50	40	EEGB	
Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccoc3C)c2C)c1	24745360	ZFDVIGPLMDMJQU-UHFFFAOYSA-N	338.367	2.465	50	40	EEGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccco2)cc1C	2134321	YWPISHVFMXBUJZ-UHFFFAOYSA-N	329.356	2.076	50	40	EEGB	
CCn1ncc(NC(=O)CCl)c1C(=O)Nc1cccc(OC)c1	17070797	RXXMUNCIISUZCU-UHFFFAOYSA-N	336.779	2.341	50	40	EEGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21	408768230	CYXYGZBAKDKOEF-JYRVWZFOSA-N	325.368	2.246	50	40	EEGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	33648266	AIGBLBCNJQORNL-ZVBGSRNCSA-N	338.342	2.030	50	40	EEGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@H](O)c1ccccc1	3031359	NIHLMNIRVPYOKF-IREQLNLFSA-N	349.184	2.338	50	40	EEGB	
O=C(NNC(=O)C1CC1)c1cccc(NC(=O)c2cccs2)c1	13165336	CYDHWUXTQMOVIB-UHFFFAOYSA-N	329.381	2.171	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)[nH]c(C#N)c1C	140949	YANVOFOBTHMCOJ-OAHLLOKOSA-N	326.356	2.148	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)cc1	5070619	FBTXOMCZVNOVNV-WOJGMQOQSA-N	328.397	2.487	50	40	EEGB	
Cn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccccc1	138998	RHGJIYFMZBHKEI-LICLKQGHSA-N	341.396	2.318	50	40	EEGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3c(O)[nH]c(=S)[nH]c3=O)nc2c1	6382665	PQSXLWMNBALXMB-VMPITWQZSA-N	325.353	2.387	50	40	EEGB	
COc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)c1	4079630	NSHWLNNYQLYJEC-KEBDBYFISA-N	345.786	2.229	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C2\CCc3c(O)cccc32)n1	96291372	AVRUTPKJFWLDQF-XSFVSMFZSA-N	342.424	2.358	50	40	EEGB	
Cc1c(/C=N/NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	1633134	KWWDQDXKNRLKAV-DEDYPNTBSA-N	334.379	2.248	50	40	EEGB	
O=C1C=C(O)/C(=C\NNC(=O)c2cc3ccccc3cc2O)C=C1O	205771466	ATUDAZGVGGVSOP-XFXZXTDPSA-N	338.319	2.130	50	40	EEGB	
CC1(C)[C@@H](ON=C2CCCCC2)NC(Cl)=C(C#N)[C@@]1(C#N)C(N)=O	22145472	AHLVNGVQRQYJLT-ZBFHGGJFSA-N	349.822	2.248	50	40	EEGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1	6785559	AYKUOTJLBQFAAV-DEDYPNTBSA-N	334.383	2.379	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36073807	FBUWLGFQCIQGFI-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409137733	XEJKSWFUTNFMLO-SFHVURJKSA-N	333.391	2.429	50	40	EEGB	
Cc1nn(CCCl)c(C)c1C(=O)NC[C@H]1Cc2ccccc2O1	71905593	NKCMWMWVISFUDY-CQSZACIVSA-N	333.819	2.472	50	40	EEGB	
COc1ccc(/C=N\NC(=O)N/N=C\c2ccc(OC)cc2)cc1	31628842	MJPDRYVAZFJHKI-ZAORYEFMSA-N	326.356	2.371	50	40	EEGB	
C=CCc1cccc(/C=N/NC(=O)Cn2nc3ccccc3n2)c1O	31247	ULGWQSXECIRXAH-YBFXNURJSA-N	335.367	2.016	50	40	EEGB	
Cn1cc(Br)c(C(=O)N/N=C/c2cccc(F)c2)n1	256727	FOSBUTKOIFCFFD-GIDUJCDVSA-N	325.141	2.086	50	40	EEGB	
COC(=O)c1ccccc1N/C=C(\C#N)C(=O)NCc1ccco1	8974039	IRQZKELMOSBEFP-ZRDIBKRKSA-N	325.324	2.202	50	40	EEGB	
Cc1cc(C(=O)NN)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1	12394832	VPMQOZWAUIKRCV-UHFFFAOYSA-N	329.791	2.353	50	40	EEGB	
CCCc1cc(-c2n[nH]cc2-c2ccc(C(=O)NN)o2)c(O)cc1O	4555680	BAPMEPBODHTZAE-UHFFFAOYSA-N	342.355	2.304	50	40	EEGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccccc1	408997482	GURVGLJSAYHQSB-LDADJPATSA-N	326.356	2.354	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O	36236325	SMRMWGCZXBIDOE-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
O=C(NCCCNC(=O)C(Cl)Cl)c1cc2ccccc2[nH]1	97965949	PHWXFLKEOXBPFY-UHFFFAOYSA-N	328.199	2.208	50	40	EEGB	
CCOCCCNC(=S)NNC(=O)c1cc2ccccc2cc1O	16238224	IYZCBIWFAPRIHT-UHFFFAOYSA-N	347.440	2.081	50	40	EEGB	
CCNC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1O	408818051	MSNBMGOUUPJAFB-RUDMXATFSA-N	325.162	2.206	50	40	EEGB	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)[C@@H]1CCCO1	32259731	CEFXPYMLRWQELB-INIZCTEOSA-N	346.358	2.345	50	40	EEGB	
Cc1ccc(OC[C@@H]2SCCN2C(=O)CCl)c([N+](=O)[O-])c1	159892	VLTSZBLLXJKTSD-ZDUSSCGKSA-N	330.793	2.422	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2nccnc2c1	16839884	AGARGYAUOKUEEU-RGVLZGJSSA-N	335.323	2.231	50	40	EEGB	
O=C(Cc1ccc(O)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	40007625	UNCPBDIIDKYQTH-UHFFFAOYSA-N	328.412	2.299	50	40	EEGB	
Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)C3CC3)c2C)cs1	29509450	ILGYFVDOZUCKOK-UHFFFAOYSA-N	332.429	2.094	50	40	EEGB	
COc1ncccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	32759810	RLKJPVMSJQLCLN-UHFFFAOYSA-N	345.424	2.495	50	40	EEGB	
Cc1ccc2occ(/C=N/NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1	1878036	LNGPGGKAHHLQGF-CBVHTYNASA-N	349.390	2.122	50	40	EEGB	
COc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCC1	3886039	NTOOHRZZOSTNPR-UHFFFAOYSA-N	346.836	2.047	50	40	EEGB	
O=C(O)[C@H]1C=C(OC(F)(F)F)C=C[C@@H]1I	95611630	JKBGIHVWNUPMNQ-WDSKDSINSA-N	334.031	2.481	50	40	EEGB	
COCCCNC(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C	100924314	MZPJXEDZMIUQEJ-VCTAVGKDSA-N	346.265	2.298	50	40	EEGB	
CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1	408999197	SZJYWVCETXKNBG-UHFFFAOYSA-N	341.367	2.119	50	40	EEGB	
O=C(CCc1ccc(O)cc1)N/N=C/C(Cl)=C(\Cl)C(=O)O	2577805	OXJMSUSKVGDOBZ-PIPUGCRWSA-N	331.155	2.201	50	40	EEGB	
COC(=O)c1nc(Cl)nc(NNC(=O)OC(C)(C)C)c1Cl	91293263	IUAGEFHVZUXSQS-UHFFFAOYSA-N	337.163	2.422	50	40	EEGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OCC	408873768	VMJQFFWYTBGHRD-IZZDOVSWSA-N	349.184	2.252	50	40	EEGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	408798270	VMBQJXUDVCLEMX-GZTJUZNOSA-N	349.390	2.035	50	40	EEGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)NN)c12	3885868	HWVPISLWHJCSLK-UHFFFAOYSA-N	344.378	2.394	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2)c1	4590806	XSVJKXYFBXTSRH-OAHLLOKOSA-N	342.395	2.297	50	40	EEGB	
COC(=O)c1ccc(/C=N\NC(=O)CNc2ccccc2OC)cc1	32200718	XWCHVQPVFCMCDY-JAIQZWGSSA-N	341.367	2.044	50	40	EEGB	
CCOC(=O)/C(C#N)=C1\CCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC	16681984	OFUFQINRHBIHCK-VDSAHHCSSA-N	334.397	2.483	50	40	EEGB	
CCOc1ccccc1OCCC(=O)NNC(=O)c1ccccc1F	2623799	XSYMIYRAFBBEIJ-UHFFFAOYSA-N	346.358	2.455	50	40	EEGB	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	2767807	GHPJFBHAURESQT-KOLYXTFFSA-N	348.271	2.014	50	40	EEGB	
CCOC(=O)N/N=C1\CCN(Cc2ccccc2)C[C@@H]1C(=O)OCC	4668713	BRQRUJYFDLDXIG-NXSRCCIVSA-N	347.415	2.174	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1ccc(O)cc1O	408565846	BIKOPBLKWCEFOZ-RQZCQDPDSA-N	345.311	2.169	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)ccc1O	3287662	NEZWJRSXUOTXBF-RGVLZGJSSA-N	339.351	2.192	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36559370	YPTVVAKTTMMOFU-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
C/C(CC(=O)NCCCc1ccccc1)=N\NC(=O)c1cccnc1	101503863	PFAKGVISTHQROV-PXLXIMEGSA-N	338.411	2.326	50	40	EEGB	
CCOC(=O)c1csc(N(NC(C)=O)C(=O)Nc2ccccc2)n1	1415209	TUFDHHQOFQLMKG-UHFFFAOYSA-N	348.384	2.409	50	40	EEGB	
NNC(=O)Cc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O	4113045	ALHFQRXCSMGGHT-UHFFFAOYSA-N	327.771	2.381	50	40	EEGB	
N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(O)cc1	409075551	RQJMSRSXZUCJLV-JYRVWZFOSA-N	338.319	2.401	50	40	EEGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1O	36236345	ZWNUNHFLYUJVLN-RQZCQDPDSA-N	345.311	2.169	50	40	EEGB	
O=C(Cc1ccc(F)cc1)NN[C@@H](C(=O)NC1CC1)c1ccccc1	8881797	MOCQQEDRXWVFBO-GOSISDBHSA-N	341.386	2.009	50	40	EEGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NNC(=O)C1CC1	14800620	HOTRHFYWWYBYEW-UHFFFAOYSA-N	336.754	2.144	50	40	EEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1	16693872	DNEFDEDCRRSFMP-GHXNOFRVSA-N	345.742	2.173	50	40	EEGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccnc1	313780	ZDVHIAYYBDHHHZ-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
O=C(/C=C/c1ccccn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	54889496	KNFJNJQUAQAVKW-SNAWJCMRSA-N	325.412	2.459	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(O)cc1	100992396	PMKZKNBQMDNZIS-ZVCOJXFSSA-N	336.351	2.147	50	40	EEGB	
COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1	5838437	SHZUIMLRNWAUEX-DLBZAZTESA-N	344.798	2.460	50	40	EEGB	
COc1ccc(C(=O)N[C@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)cc1	4581039	VUPBEHOAOTWLRR-AWEZNQCLSA-N	339.273	2.494	50	40	EEGB	
COc1ccc2c(c1)CCN(C(=O)CCl)[C@@H]2C1C(=O)CCCC1=O	4730482	NKGLLIJGFIODNP-SFHVURJKSA-N	349.814	2.298	50	40	EEGB	
COc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O	551369	MRIQFESFOMGKSP-CAOOACKPSA-N	346.412	2.050	50	40	EEGB	
O=C(NNC(=O)c1csc(Nc2ccccn2)n1)c1ccccc1	72290161	QJMSOHVSGSWMIV-UHFFFAOYSA-N	339.380	2.357	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)NC1CCCCC1	3350499	FCPLMMTWULFROT-XMHGGMMESA-N	330.432	2.489	50	40	EEGB	
COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3cccnc3)cc2c1	4600193	RVXUYYYEDBPVJP-RGVLZGJSSA-N	337.335	2.351	50	40	EEGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(F)cc(F)c1	16073196	RDTCNUXFACHURB-UHFFFAOYSA-N	329.306	2.450	50	40	EEGB	
CCc1nnc(NNC(=O)c2cc(SC)ccc2Cl)nc1O	28561613	AJQVHFJGBNAVPR-UHFFFAOYSA-N	339.808	2.272	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O	36274468	GLAYEDBBBULPPW-QGMBQPNBSA-N	344.327	2.166	50	40	EEGB	
CCOC(=O)c1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	126002	DKCUIKBMDZMUKB-NSHDSACASA-N	328.303	2.242	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)c(OC)c1	3140095	UBJHOYBFTRBUMW-YBFXNURJSA-N	344.367	2.329	50	40	EEGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)c(O)c([N+](=O)[O-])c1	408952362	KDFVTCLCNJCPMG-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
Cc1ccc(NC(=S)NNC(=O)c2ccccc2C(=O)O)cc1	143639	FTZCHQOORQBJBL-UHFFFAOYSA-N	329.381	2.325	50	40	EEGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccnc1	100887888	IVQCYKAWZLYNGI-UDWIEESQSA-N	326.356	2.225	50	40	EEGB	
COc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1OC	1440321	FOWSUMALLQTGLA-UHFFFAOYSA-N	331.397	2.335	50	40	EEGB	
O=C(CSc1ncnc2nc[nH]c12)N/N=C/c1ccc(Cl)cc1	6694528	IVNJUXCCMXRDQX-DENHBWNVSA-N	346.803	2.249	50	40	EEGB	
CCOC(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N	101426405	CEKKXSGONFOCQU-CYBMUJFWSA-N	329.187	2.260	50	40	EEGB	
COC(=O)c1cccc(/C=N/NC(=O)c2c(C)nc3ccccn23)c1	59435481	VANNWPFULGUASZ-YBFXNURJSA-N	336.351	2.193	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(O)c1	409390571	FJGDWKCLNMXDGE-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C(NNC(=O)c1cccs1)c1cnn(Cc2ccccc2)c1	8185000	LMOFAYIMNAGWFI-UHFFFAOYSA-N	326.381	2.068	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC#N	38165530	XFOPNZPZYSWLJM-ODLFYWEKSA-N	325.324	2.067	50	40	EEGB	
CCc1ccc(C(=O)NNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1	13011584	XEMHEMIURZSRSQ-INIZCTEOSA-N	338.363	2.312	50	40	EEGB	
Cc1c(-c2ccnc3cc(C(=O)NC4=C(C#N)CCC4)nn23)cnn1C	6399528	HEIHEKRXPPGNTB-UHFFFAOYSA-N	347.382	2.130	50	40	EEGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1	8571297	VZQFHFZZFDGHEF-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)CC(=O)NCCc1ccccc1	59435572	KOYIKKXCFIOZCK-XDHOZWIPSA-N	329.425	2.256	50	40	EEGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CO)cc1	4525863	WBASRVUKGNISBP-RGVLZGJSSA-N	334.379	2.290	50	40	EEGB	
Cc1nc(C)c(C(=O)N/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)s1	4981504	NXADIZBONKMYGT-LZYBPNLTSA-N	347.400	2.498	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2cccs2)on1	252499896	SIFPDVGQLDCENA-FRKPEAEDSA-N	333.348	2.348	50	40	EEGB	
C/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	15930450	GBNGIWWFUSRKOE-UNOMPAQXSA-N	340.339	2.382	50	40	EEGB	
O=C(CSCc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	4836556	CFYQSMVXFFMEPH-UHFFFAOYSA-N	345.380	2.289	50	40	EEGB	
COc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1OC	5918739	GGSWWKSMBWFXEK-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2c(c1)OCCO2	32608371	HCWMYRQADVOPAL-WOJGMQOQSA-N	341.323	2.059	50	40	EEGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@H](C#N)[C@@H]1c1cccc(Br)c1	66087973	YEJLFYACSRJDBU-VNHYZAJKSA-N	338.168	2.456	50	40	EEGB	
COc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2)cc1OC	5480014	WARCBMYMIQLVLH-XDHOZWIPSA-N	328.368	2.492	50	40	EEGB	
COc1cc([C@H]2C(C#N)=C(N)Nc3oc(C)nc32)cc(OC)c1OC	125624	JIKQNNWBIWIJJN-ZDUSSCGKSA-N	342.355	2.260	50	40	EEGB	
CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	4017988	SGRVSXHWILOLAL-SFQUDFHCSA-N	334.376	2.072	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12	6648326	AVCRXONEBWJOBT-YBFXNURJSA-N	336.351	2.086	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc([N+](=O)[O-])c1	409365789	SAZYFPWDUMXUFS-WQRHYEAKSA-N	341.323	2.059	50	40	EEGB	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc2nc(O)[nH]c2c1	585136051	NTMMPLHYVLUPAT-MDWZMJQESA-N	328.372	2.107	50	40	EEGB	
O=C(O)CC/C(=N\NC(=O)COc1ccccc1)c1ccccc1	4155858	AOHHOFCSWXJKDL-KNTRCKAVSA-N	326.352	2.451	50	40	EEGB	
N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@@H]1c1ccc(F)cc1	5570123	AZOYFUPKEYJCAL-BREBYQMCSA-N	326.253	2.097	50	40	EEGB	
COC(=O)[C@@H](C)N(CCCl)[P@]1(=O)OCCCN1CCCl	5809553	YFEUFZCINSWDOQ-CFMSYZGJSA-N	347.179	2.158	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2c(c1)CCO2	161879	KWELIDBQDROCMM-MRXNPFEDSA-N	326.352	2.266	50	40	EEGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cncc(Br)c1	257420	LGECVZPTRZSPPN-OMCISZLKSA-N	336.145	2.019	50	40	EEGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1Cl)C(=O)N2	59472594	UOZIVABWQDLLIS-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)CC1(C)OCCO1	1101528	IITUJNKWEGQQHM-LICLKQGHSA-N	326.780	2.342	50	40	EEGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccncc1	3247133	RSEZMIPOYIBPMP-SRZZPIQSSA-N	330.347	2.345	50	40	EEGB	
NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2	2568980	VGLSVDVJADCJAJ-IMTBSYHQSA-N	331.323	2.208	50	40	EEGB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(CCl)n2CCC(C)C	3888468	JFRPUQZLUUZJMW-UHFFFAOYSA-N	326.828	2.471	50	40	EEGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(F)cc2)c1O	4784611	TYRRWMWRGKPFTO-IUXPMGMMSA-N	333.275	2.212	50	40	EEGB	
CC(C)=NNC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	36611794	AAJQOSAVIOIRJA-CHWSQXEVSA-N	325.368	2.268	50	40	EEGB	
Cc1nc(S(=O)(=O)NNC(=O)C(C)(C)C)c(-c2ccccc2)o1	1615587655	PGGSTMHFYLLLAK-UHFFFAOYSA-N	337.401	2.006	50	40	EEGB	
O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1cccs1	12501652	OBYIVZXNVRAYCE-UHFFFAOYSA-N	339.829	2.351	50	40	EEGB	
O=C(N/N=C/c1ccccc1F)c1ccc(CN2CCOCC2)cc1	20064280	ROYPWJDEGKMASX-FYJGNVAPSA-N	341.386	2.422	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	58883638	RGNOKRWSMIURGX-OVCLIPMQSA-N	329.341	2.376	50	40	EEGB	
C[C@H](CN1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	4576248	NPWDQTZKIPSCQE-ZIUDEIKKSA-N	347.503	2.472	50	40	EEGB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Cl)cc1Cl	4602065	XSTMAXIHNUBWTL-ZJUUUORDSA-N	342.631	2.128	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@H]3C[C@H](C[C@@H]2[C@@H]2C(=O)OC(=O)[C@H]21)C3(C)C	254759180	LWJRFRGYHFWQLY-WWGIYVHQSA-N	345.439	2.409	50	40	EEGB	
Cc1nc(S(=O)(=O)NNC(=O)C2CCCC2)c(-c2ccccc2)o1	1615586718	FAOBJOYGAJAKAZ-UHFFFAOYSA-N	349.412	2.150	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1F	15423112	GMILJAFALNMYFM-VIFPVBQESA-N	331.185	2.444	50	40	EEGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc(-n2cnnn2)c1	5494627	XNQVTORSPFLTAC-CIAFOILYSA-N	345.366	2.298	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc(C)c1	223302	VNVORDYFQNICNF-VXLYETTFSA-N	342.355	2.474	50	40	EEGB	
CCOc1ncccc1C(=O)NNC(=O)c1cc(Cl)ccc1OC	2662995	VADNXMXGEXCSDC-UHFFFAOYSA-N	349.774	2.217	50	40	EEGB	
Cn1c(O)c(C(=O)N/N=C/c2ccccc2F)c(=O)c2ccccc21	499475	ZSOAVIBUKCXABB-KEBDBYFISA-N	339.326	2.147	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)c1	12597744	FUFZLWXYRQTXNA-UHFFFAOYSA-N	325.412	2.491	50	40	EEGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	5381576	ZGQNIUYKMRKARI-WOJGMQOQSA-N	341.323	2.406	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(OCC#N)cc1	7986130	LXNGHVZZQQUPFR-DHZHZOJOSA-N	335.363	2.372	50	40	EEGB	
O=C(CBr)NC[C@H](O[C@@H]1CCOC1)c1cccc(F)c1	95097935	BLLICQOUBQBWPS-OLZOCXBDSA-N	346.196	2.183	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	252496974	PWUNZADVANTFLN-UFWORHAWSA-N	344.325	2.161	50	40	EEGB	
O=C(NNC1=NCCN1Cc1ccccc1)c1cccc(Cl)c1	145452	VUVXNWOTTOEWON-UHFFFAOYSA-N	328.803	2.446	50	40	EEGB	
CC(C)[C@@H](Br)C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1	4772277	FMBWOYZHZAVDEE-FRRDWIJNSA-N	339.233	2.357	50	40	EEGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(N)=O	3238386	KBUWWCNCBZGKLE-BHQIHCQQSA-N	345.978	2.309	50	40	EEGB	
CCOCCCNC(=O)/C(C#N)=C\c1cc(Br)co1	58088818	XFNLLIHVZLARFW-POHAHGRESA-N	327.178	2.492	50	40	EEGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)NC1CCCC1	4499513	NWKBTPHTZRFLIS-DJKKODMXSA-N	327.306	2.214	50	40	EEGB	
COc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	5818171	COKIOMKJDGDADF-HNNXBMFYSA-N	326.356	2.262	50	40	EEGB	
CCO[C@@H](C)n1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253408167	XDTHMJSSBKJJAH-ZUZCIYMTSA-N	328.372	2.253	50	40	EEGB	
Cn1cc(Br)c(C(=O)N/N=C/c2ccc(F)cc2)n1	31045	SJBXJWAAPUDWIR-GIDUJCDVSA-N	325.141	2.086	50	40	EEGB	
O=C(COc1ccccc1Cl)NNC(=S)NCc1ccccc1	15873529	FLJZKCZYNGPRKH-UHFFFAOYSA-N	349.843	2.414	50	40	EEGB	
O=C(CCc1ccccc1)NNC(=O)c1ccc(Br)o1	515245	RWEKGGJDZLHSFK-UHFFFAOYSA-N	337.173	2.436	50	40	EEGB	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)NC[C@@H]1CCCO1	17070548	NBKHKDIWXZZKMN-MCWZUMHDSA-N	334.759	2.271	50	40	EEGB	
C[C@@H](C(=O)NN=C1CCCCC1)N(c1ccccc1)S(C)(=O)=O	408921915	LJHAQAWXWSTVCT-ZDUSSCGKSA-N	337.445	2.277	50	40	EEGB	
O=C(N/N=C/c1ccncc1)C(=O)Nc1cc(Cl)cc(Cl)c1	408972751	WIWOEJRUIJZGGZ-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(F)cc1	409227818	RKDVTNBIJRBMFG-ZDLGFXPLSA-N	331.303	2.435	50	40	EEGB	
NC1=N/C(=N\NC(=O)c2ccc(Br)cc2)c2ccccc21	5731638	VVSHHXALANHGGF-UHFFFAOYSA-N	343.184	2.260	50	40	EEGB	
Cc1ccccc1OCCN(C)C(=O)NNC(=O)c1ccccc1	40068952	OWELMKWMGPEYIO-UHFFFAOYSA-N	327.384	2.360	50	40	EEGB	
Cc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	421469	GMSPYNPQVYYMDM-HNNXBMFYSA-N	333.351	2.086	50	40	EEGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(F)cc1F	16073567	YMKTVXIXXZVMCI-UHFFFAOYSA-N	329.306	2.450	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C=N\O)c2ccccc2)cc1OC	16667575	AOBZFUPKTIEOJB-MMOYSQFZSA-N	327.340	2.298	50	40	EEGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1	214521514	OVWAAZLMGVTKQR-UHFFFAOYSA-N	341.392	2.244	50	40	EEGB	
C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)c1ccc(N)cc1	101158539	LPPCOCJLNWVXRC-UFFVCSGVSA-N	345.790	2.452	50	40	EEGB	
Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	1633084	YNXDEKKYOCGUHL-HUUCEWRRSA-N	329.787	2.413	50	40	EEGB	
CC(=O)Oc1ccc(OC(C)=O)c(S(=O)(=O)CCCCCl)c1	3062546	IGADJSBZGUMABH-UHFFFAOYSA-N	348.804	2.330	50	40	EEGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)[nH]1	96035433	WAZMCZQKQAOACC-DHZHZOJOSA-N	325.324	2.356	50	40	EEGB	
CO[Si](CCc1ccccc1S(=O)(=O)N=[N+]=[N-])(OC)OC	195761914	JEHQYUIXQHYENR-UHFFFAOYSA-N	331.426	2.106	50	40	EEGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1n[nH]c2c1CCC2	282294	IJCCBGHBIVNWDV-RGVLZGJSSA-N	348.410	2.465	50	40	EEGB	
CCOC(=O)/C(=N\Nc1ccc(C(=O)OCC)cc1)C(=O)CCl	3267765	QFQHXMUSYYICMC-AQTBWJFISA-N	340.763	2.002	50	40	EEGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cccs3)CC2=O)cc1	13154376	ODOVKNGYPBONMS-HIPMGEKLSA-N	343.408	2.260	50	40	EEGB	
Cc1cc(I)ccc1-c1ccc(C(=O)NN)o1	226301970	VJSBVHXRLUWFSA-UHFFFAOYSA-N	342.136	2.463	50	40	EEGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1Cl	408848522	VTSZAQUJNLXYNW-QGMBQPNBSA-N	348.742	2.273	50	40	EEGB	
O=C(CCN1C(=O)CCC1=O)NN=C(c1ccccc1)c1ccccc1	51202227	HXVKCWATPNSQQK-UHFFFAOYSA-N	349.390	2.094	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC	2773479	HHYAGRWLVDVSOI-NTEUORMPSA-N	347.367	2.497	50	40	EEGB	
Cc1ccc(/C=N\NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)o1	17121636	AJWBPGAMEDVVFV-FBHDLOMBSA-N	343.427	2.371	50	40	EEGB	
CCn1c(SCC(=O)NNC(=O)c2ccco2)nc2ccccc21	12602683	VXOTZBSYDMBMBK-UHFFFAOYSA-N	344.396	2.203	50	40	EEGB	
COc1cccc(/C=N/NC(=O)CN2CCCc3ccccc32)c1O	8124784	SYETVCJUKQUING-UDWIEESQSA-N	339.395	2.304	50	40	EEGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1F	408974234	XUIRDZIKSMVCCN-BTZNOAQDSA-N	339.370	2.292	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@@H]2C1	13635450	HXRLDRLVUGPECD-QZTJIDSGSA-N	344.422	2.215	50	40	EEGB	
CC(C)(C)NC(=S)NNC(=O)c1ccccc1Br	14894656	RHBMRSARPODOFL-UHFFFAOYSA-N	330.251	2.357	50	40	EEGB	
O=C(N/N=C/c1ccco1)C1CCN(C(=O)c2ccc(F)cc2)CC1	409004386	CFLKRFGIFLHTSX-UDWIEESQSA-N	343.358	2.421	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408735617	UJBUREMUTOFLHT-YBFXNURJSA-N	347.802	2.382	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])s1	408974889	IAGULHJKRNJKQB-VIZOYTHASA-N	333.325	2.078	50	40	EEGB	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1O	73170298	DKVWPBUBLJRDDC-SNVBAGLBSA-N	334.759	2.274	50	40	EEGB	
Cn1ccnc1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1614972603	INUOKKQMAMSYSG-IUODEOHRSA-N	334.217	2.142	50	40	EEGB	
O=C(O)[C@H](Br)CCCC[C@@H](Br)C(=O)O	1707300	DWXFXWYNVJXVQQ-PHDIDXHHSA-N	331.988	2.243	50	40	EEGB	
CCOC(=O)NNC(=O)c1cccnc1Nc1ccccc1OC	53576425	VRIALYOTXCIMLJ-UHFFFAOYSA-N	330.344	2.225	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c2ccccc2n1	12531468	ACIFHWKZSFSSNQ-UHFFFAOYSA-N	349.394	2.220	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c1	107833170	UAZAOQQHBHASOS-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1	409376763	CUJWXDNODJSQBP-OQLLNIDSSA-N	339.351	2.299	50	40	EEGB	
O=C(CNC1(c2ccccc2)CCCCC1)NNC(=O)c1ccco1	95972711	IAPODVLFMAHJFU-UHFFFAOYSA-N	341.411	2.490	50	40	EEGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)[C@@H](O)c1ccccc1	3027469	RECZGOVVBQSARK-VEJKBTLKSA-N	349.184	2.338	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1O	227346	XCDKJQXTCJRZID-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
COc1ccc(OC(=O)CCS(=O)(=O)C(Cl)Cl)cc1	102580682	AYGPENDSJOGPHX-UHFFFAOYSA-N	327.185	2.167	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1	58884769	QPESAVIUZWLQJC-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc([N+](=O)[O-])c1O	36184669	RNUIBIHFFILWJU-RQZCQDPDSA-N	345.311	2.169	50	40	EEGB	
CCSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C(=O)OC)C(=O)N1	9332559	ORWUFEPZRFMXEQ-UONOGXRCSA-N	330.409	2.486	50	40	EEGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@](C)(O)C3CC3)cc2C1	89930083	WBOLVYXGCWXBSJ-BTDLBPIBSA-N	336.457	2.185	50	40	EEGB	
NNC(=O)Cc1csc(Nc2ccc(Br)cc2)n1	223450437	HOKKYOFYKFPQJG-UHFFFAOYSA-N	327.207	2.182	50	40	EEGB	
Cc1ccc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	511986	DCICIJPIVBLMSB-GIJQJNRQSA-N	341.323	2.325	50	40	EEGB	
O=C(N/N=C/c1ccccn1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	181334	VZNBHCOJJLPFAA-VCHYOVAHSA-N	336.311	2.144	50	40	EEGB	
NC(=O)C1=CC2=CC=C[C@@H](Br)C2=[N+]([O-])c2ccccc21	1569999042	BAEMINJTMCEURH-GFCCVEGCSA-N	331.169	2.411	50	40	EEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)Nc1cccc2nsnc12	16430887	MADPIAOJIBFRLZ-MLPAPPSSSA-N	332.301	2.348	50	40	EEGB	
O=C(Oc1ccc([N+](=O)[O-])cc1-n1cnnn1)c1ccc(Cl)cc1	245082	DSSYEQGLBNWQJM-UHFFFAOYSA-N	345.702	2.443	50	40	EEGB	
COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	2216395	QTDLISPLKAAVJX-ZDUSSCGKSA-N	334.759	2.169	50	40	EEGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(N)=O)o2)cc1[N+](=O)[O-]	409233947	UVIQIINZBREHRV-WDZFZDKYSA-N	340.295	2.265	50	40	EEGB	
COc1ccccc1/C=N\NC(=O)N/N=C/c1ccccc1OC	17311373	OWGDIIVCTDFKEG-VHVWWYSBSA-N	326.356	2.371	50	40	EEGB	
N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1	2520977	PVMNVFJGYILXFL-HNNXBMFYSA-N	332.367	2.109	50	40	EEGB	
O=C(/C=C/c1ccc(Cl)cc1)NNc1nnnn1-c1ccccc1	480307	YPAUIKYXWOMAIV-DHZHZOJOSA-N	340.774	2.472	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)c1ccco1	2134201	KDKJMUSOZANQPB-UHFFFAOYSA-N	335.747	2.113	50	40	EEGB	
CC[C@H](NNC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C)on1	9049764	HOPPMDFXOUXKRO-LBPRGKRZSA-N	336.779	2.288	50	40	EEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1	408774519	PDXJYHZSOQEMKX-YBFXNURJSA-N	326.352	2.449	50	40	EEGB	
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=C=S)ccc1-2	40937530	HNQZCUNPKHMCQJ-UHFFFAOYSA-N	342.380	2.369	50	40	EEGB	in-vitro
C/C(=N\NC(=O)CCNC(=O)c1ccccc1)c1ccccc1O	100840675	ZRHYKNKNPIBFCM-DEDYPNTBSA-N	325.368	2.053	50	40	EEGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1c(O)cc(C)oc1=O	102231954	VBOXSVTVCHRXKO-VXLYETTFSA-N	325.324	2.289	50	40	EEGB	
Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2nc[nH]n2)C2=C1C(=O)CCC2	4503790	IIGQMLXRZBXFHZ-MRXNPFEDSA-N	346.394	2.418	50	40	EEGB	
Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)NN)c12	12394528	KKVGDSGVUQOQOU-UHFFFAOYSA-N	325.347	2.349	50	40	EEGB	
COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl	59472662	RMQPCLKEDQSYRH-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	3392663	VHERIQAHQIIBCI-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)N2CCN(c3ccccc3)CC2)c(C)o1	8720316	BCLUSKDNYGBLJL-UHFFFAOYSA-N	342.399	2.073	50	40	EEGB	
O=C(NNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12)c1ccco1	8773288	PKZFTNKWESLEHL-UHFFFAOYSA-N	343.255	2.401	50	40	EEGB	
C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1cccc([N+](=O)[O-])c1	13115041	CLYIZPINNFIHPM-YVLHZVERSA-N	329.360	2.408	50	40	EEGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1cccnc1	408784211	PHZONMPXADOKPS-BOPFTXTBSA-N	336.395	2.255	50	40	EEGB	
O=C1Nc2c(Cl)cc(Cl)cc2/C1=N/NC(=O)c1ccncc1	17003701	NEJBZFIQQFWDAW-UHFFFAOYSA-N	335.150	2.475	50	40	EEGB	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cccc(C)c2)c1C	568494	LLLIIBXFTXKPHH-UHFFFAOYSA-N	343.383	2.191	50	40	EEGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C)c(C)c2)c1	3082592	BVMSZPFAADLYFN-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cc(-c2ccco2)[nH]n1	28408771	KSQKQKHXOZGNGX-UHFFFAOYSA-N	342.380	2.295	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)c(O)c1	409392035	NFYOJMJFSNXEAF-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
N#C/C(=C/c1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(N)=O	75445025	CAOKSRVNHMNNDC-GHXNOFRVSA-N	326.743	2.380	50	40	EEGB	
CCOc1ccccc1C(=O)NNC(=O)COc1ccccc1C	130138	CLRHPILGHPXOAC-UHFFFAOYSA-N	328.368	2.234	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(C)nc1	6503936	OQDFWUOKDUWJMZ-YODDIOPGSA-N	335.367	2.145	50	40	EEGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1	7736788	CTHLSSISWADPSC-UHFFFAOYSA-N	338.367	2.427	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1	5465055	ABWUPMCDGGSKIY-CPNJWEJPSA-N	331.416	2.374	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	218640	YNTXYGNUCPDXHA-LSDHHAIUSA-N	325.324	2.160	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc(OCCCC#N)c2)n1	96189873	HBDRMEZBXMKYSY-GXDHUFHOSA-N	349.398	2.267	50	40	EEGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(Cl)cc1	59444373	CUMVGPLYYGQMTA-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
Cn1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1=O	69877113	MMSKWQCEMLSONJ-UHFFFAOYSA-N	340.832	2.358	50	40	EEGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)CCCC2	8735736	OGJOQKJNWXXZPL-UHFFFAOYSA-N	344.436	2.118	50	40	EEGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1	4682250	LRXIBHSXZKCVGR-YFHOEESVSA-N	339.307	2.055	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)no1	67338015	SBPXPLITURQUMH-UHFFFAOYSA-N	342.277	2.146	50	40	EEGB	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)CNc1ccccc1F	7785449	KDWIOAXXDVQVSE-YPMHNXCESA-N	338.452	2.312	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OC	238975	DZSQFFUUTCBCDZ-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCC#N)cc2)c1	8101395	ITXWUTHIXILFLA-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1	33040443	HHPRXEPPNPTCCQ-JXAWBTAJSA-N	332.356	2.137	50	40	EEGB	
Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	3442849	RQILSQINGWXTBP-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1)C(=O)O	9324387	XKFSFMAPKQSNOL-HPAYWCODSA-N	328.324	2.008	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)cc(C)c1	59101506	GNJBEKHADSNBES-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccco1	7519698	RZUKXOUEYWXVDE-UHFFFAOYSA-N	335.168	2.210	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)N[C@H](C)c1ccccc1	3127125	RUVJQMXZNVLWOP-KZKLBEMASA-N	325.368	2.023	50	40	EEGB	
C/C=C/C=C/C(=O)NNC(=O)COc1cccc(Br)c1	15507419	JPNJACWCLYIPTG-CRBCFSCISA-N	339.189	2.108	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccn(CC(F)(F)F)n1	253399513	JPDBRMZHSWTGCG-GFCCVEGCSA-N	338.289	2.260	50	40	EEGB	
CCCCO[C@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	57993898	JRGJVBRZUOKPSG-HUUCEWRRSA-N	336.432	2.423	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1	278752	ACFQLVRZLXYYEK-LBPRGKRZSA-N	332.381	2.027	50	40	EEGB	
CC(=O)NC1(NC(C)=O)[C@@H](Br)[C@H]2C[C@@H]1[C@H](C)C2(C)C	27622	PZUFEEFEZRVVMO-BWWFWGKFSA-N	331.254	2.030	50	40	EEGB	
O=C(N/N=C/c1ccco1)C(=O)Nc1cccc(Br)c1	59515639	WVJORVPPAVZQGD-OVCLIPMQSA-N	336.145	2.131	50	40	EEGB	
O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)c1ccc(Cl)nc1	58381949	WYDXTTBVRRCHFP-QHHAFSJGSA-N	343.770	2.144	50	40	EEGB	
C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1)c1ccccc1	408815511	WXLCWVXHEDOTDW-SWEABUAFSA-N	349.390	2.335	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NNc1cccc(C(F)(F)F)c1	17193957	YQEVCQUTAWWOPG-GHXNOFRVSA-N	336.273	2.002	50	40	EEGB	
C=CCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21	5548406	GBDLJRPQVWTXSC-QOCHGBHMSA-N	349.390	2.427	50	40	EEGB	
O=C(NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccco1	8725344	LWMCVLDQJQVPCT-UHFFFAOYSA-N	330.731	2.398	50	40	EEGB	
CC(C)CC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1	7386746	VKVVXGMTAISBEY-UHFFFAOYSA-N	325.217	2.349	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	408611188	QDGILWVTVZCEGN-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	20018615	SPAIGCYAYRPRTJ-QKLDLYGISA-N	333.344	2.282	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	36848	SELWYIKBEUMYMX-HNNXBMFYSA-N	342.351	2.118	50	40	EEGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc2c(c1)OCO2	108986895	BAZUPWSSMWFLAD-MFOYZWKCSA-N	327.296	2.016	50	40	EEGB	
Cc1ccc(Cc2nnc(NNC(=O)Cc3ccccc3)nc2O)cc1	22854112	BEYYMGUMTCCFRM-UHFFFAOYSA-N	349.394	2.162	50	40	EEGB	
C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)c1ccccc1N	101534908	KVPUVLBHTCEZLM-UFFVCSGVSA-N	345.790	2.452	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1[N+](=O)[O-]	408719835	MTHYIHYKJGIHNU-YCPFAOKUSA-N	343.339	2.441	50	40	EEGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1	801971	CYNDOHUWRYPYCT-GIJQJNRQSA-N	337.291	2.465	50	40	EEGB	
COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc([N+](=O)[O-])cc1	226337285	SHRLQLJDEWTXCE-WEVVVXLNSA-N	343.339	2.186	50	40	EEGB	
Nc1nc(/N=C/c2ccc(N(CCCl)CCCl)cc2)n[nH]1	18209780	RDFFFFIXHRJWMC-RQZCQDPDSA-N	327.219	2.422	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	67712	HPHZXURTLMZHAJ-MRXNPFEDSA-N	344.367	2.349	50	40	EEGB	
Cc1ccc(O)c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1	353745	XHGKUSOQOYJKKC-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)NCCCN(C)c2ccccc2)c(C)o1	32795486	QXISXAUMGWNRGP-UHFFFAOYSA-N	344.415	2.367	50	40	EEGB	
C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(N)c1	4514311	WTAHASURWPJOFQ-WOJGMQOQSA-N	328.328	2.096	50	40	EEGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1F	4826335	UVIIGVOBAJXXMV-FYJGNVAPSA-N	327.359	2.290	50	40	EEGB	
CC1(C)[C@H](ON=C2CCCCC2)NC(Cl)=C(C#N)[C@@]1(C#N)C(N)=O	22145475	AHLVNGVQRQYJLT-HOCLYGCPSA-N	349.822	2.248	50	40	EEGB	
COc1ccc2c(c1)CN(C(=O)NNC(=O)c1ccccc1C)CC2	66355998	QVEJJIRSKWLFJR-UHFFFAOYSA-N	339.395	2.416	50	40	EEGB	
CCCc1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1	16819036	LIFLNLDYIYNRCQ-UHFFFAOYSA-N	336.395	2.215	50	40	EEGB	
CC(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	409017039	DWSFVZGZBQURSI-VXLYETTFSA-N	329.331	2.313	50	40	EEGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1OC	33154798	GZRYBHAEBCQSBQ-YVLHZVERSA-N	329.312	2.376	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885126	LWTXNXLIHWQJLS-OVCLIPMQSA-N	332.341	2.054	50	40	EEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/CCCc2ccccc21	35595514	PFWHSTXGHPXTEY-JZJYNLBNSA-N	346.394	2.197	50	40	EEGB	
Cn1cc(C(=O)NNC(=O)c2ccc[nH]c2=S)c2ccccc21	10125598	FQFLJUZLBPRCLS-UHFFFAOYSA-N	326.381	2.311	50	40	EEGB	
COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)ccc1SC	96313941	VZWZKNHRYXWDLZ-YRNVUSSQSA-N	342.428	2.314	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc(OC(F)F)c2)n1	96314003	JTXPPBUHSDPKOY-UXBLZVDNSA-N	332.314	2.185	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1	409183003	RAKXSFWCWOYOTA-UDWIEESQSA-N	341.367	2.376	50	40	EEGB	
CCn1c(NNC(=O)c2ccc(C#N)cc2)nc2ccccc2c1=O	9857187	CAHSCKNRVWFXAO-UHFFFAOYSA-N	333.351	2.045	50	40	EEGB	
CCc1cccc(C(=O)NNC(=O)COc2ccc(OC)cc2)c1	98211204	SSXVPJGRBYOSMH-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccccc2OC)c1	40910801	YGRJMIHDJIABJP-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1O	231700	SIZGJDXXALVKLQ-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
O=C(NN/C=C1/C(O)=NN=C1C(F)(F)F)c1cccc(Cl)c1	12956816	QEYRABBIDXIJNN-VMPITWQZSA-N	332.669	2.347	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(OC)c1O	223241	LBMFNPCBNJRCHT-KEBDBYFISA-N	343.383	2.280	50	40	EEGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(S(N)(=O)=O)cc1	920252	KZPHNVCLUAGTST-UHFFFAOYSA-N	326.381	2.172	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	36216319	ZXNROODAVRGTLJ-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
CCOC(=O)CCC[C@@H](Br)C(=O)C1=NC(=O)N=C1C	409418994	KWEBDOGLWIUJEK-MRVPVSSYSA-N	331.166	2.088	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	258269	ZRMYQSLZDOQQPM-GIJQJNRQSA-N	325.324	2.138	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)Cc1c(Cl)cccc1Cl	103108217	VLSBNMTXFFEWLO-NTMALXAHSA-N	327.167	2.404	50	40	EEGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3)c(=O)n2c1	3169093	HNGNLEUIXGONSK-DJKKODMXSA-N	340.770	2.420	50	40	EEGB	
O=C(CN1CCCCCC1=O)N/N=C(/c1ccc(F)cc1)C1CC1	95349532	JDOJBAZQKGTKFO-DYTRJAOYSA-N	331.391	2.459	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc(O)c3)ccc21	61719298	KUWOHSCZDWNNMQ-MDWZMJQESA-N	348.362	2.128	50	40	EEGB	
COC(=O)C1=C(C(C)=O)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	66089409	FMUNOEISTGYQSF-CYBMUJFWSA-N	332.743	2.164	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1	585128142	TWLJKAXEQSTEJR-OLZOCXBDSA-N	347.553	2.044	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1	143212	FETXBPBCIGAROK-UHFFFAOYSA-N	339.395	2.429	50	40	EEGB	
O=C(O)CC[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1	3148381	NXLRIQJYIGGIAN-OAHLLOKOSA-N	332.292	2.319	50	40	EEGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccn1	2059533	CHPVIJCEOCUHDJ-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
CCOc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1O	15938600	PTAMTCIKFKYMMF-YVLHZVERSA-N	329.312	2.463	50	40	EEGB	
COc1ccc([C@@H]2[C@@H]3CN(C)CC[C@H]3C(C#N)=C(N)C2(C#N)C#N)cc1	254617706	URHXXNDPZXGTAG-CGTJXYLNSA-N	347.422	2.130	50	40	EEGB	
CCSS(=O)(=O)c1ccc(N/C=C2\SC(=O)NC2=O)cc1	584906264	MLRBEEDTFGIHPK-YFHOEESVSA-N	344.439	2.365	50	40	EEGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O1	1004528	BBVLPDQQCCASOC-OAHLLOKOSA-N	344.367	2.349	50	40	EEGB	
CCN1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1	55075793	AGPUGAAJHSJDAO-UHFFFAOYSA-N	340.221	2.356	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1[N+](=O)[O-]	408779048	PVSAEHAXKZBVON-RQZCQDPDSA-N	327.296	2.365	50	40	EEGB	
O=C(CBr)NC[C@@H](O[C@@H]1CCOC1)c1cccc(F)c1	95097934	BLLICQOUBQBWPS-CHWSQXEVSA-N	346.196	2.183	50	40	EEGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccccn1	13152137	LITRKAVTZSYDIJ-FYJGNVAPSA-N	339.399	2.282	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1	15224605	QTIMPASVYVWHOI-CPNJWEJPSA-N	330.432	2.042	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1OC	354686	HNTFFUUUJBJICR-RGVLZGJSSA-N	339.351	2.105	50	40	EEGB	
O=[N+]([O-])c1cccc(S(=O)(=O)N(CCCl)CCCl)c1	4726928	GTBYRGONHHMYBI-UHFFFAOYSA-N	327.189	2.063	50	40	EEGB	
CC(C)CNC(=O)CC(=O)N/N=C/c1ccccc1C(F)(F)F	59434396	YPPYEKJGNHUPIU-AWQFTUOYSA-N	329.322	2.318	50	40	EEGB	
O=C(CO)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	4525865	UHCMYEIDAMAVAJ-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@@H]1c1cccc(Br)c1	66087970	YEJLFYACSRJDBU-KCQAQPDRSA-N	338.168	2.456	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2ccc(OC)cc2)cc1	486493	WKEDAHOEDUKYAZ-UHFFFAOYSA-N	342.395	2.027	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)c1	59433951	OXOSIRWTTDEMIQ-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(OC)c1O	3310217	JVBBHBITQHRYHY-BJMVGYQFSA-N	331.353	2.412	50	40	EEGB	
C/C(=N/NC(=O)CNC(=O)c1ccncc1)c1ccc(Cl)cc1	4814941	TWBZRSBONAAESZ-JAIQZWGSSA-N	330.775	2.005	50	40	EEGB	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1)C(=O)NC1CC1	84383588	MFZQTQROTZLTEW-CKOAPEAFSA-N	346.390	2.058	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(O[C@@H](C)C(=O)O)cc2)c1	408855029	CQAGAPYIPFHNRH-MKFNJMOCSA-N	342.351	2.311	50	40	EEGB	
Cc1noc(C)c1CSc1ncccc1C(=O)NNC(=O)C1CC1	29509556	DBNQPWDCKCMHAT-UHFFFAOYSA-N	346.412	2.150	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)c1c(O)[nH]c2ccccc2c1=O	8691603	QURXCONTPLJOFG-DJKKODMXSA-N	325.299	2.137	50	40	EEGB	
O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1	4617013	AHYZHKOGXPUGSG-MHWRWJLKSA-N	330.300	2.057	50	40	EEGB	
NNC(=O)c1cn(C(=O)COc2ccccc2F)c2ccccc12	216747767	WBUGXHZAZYKJMB-UHFFFAOYSA-N	327.315	2.103	50	40	EEGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1O	29073	NBNLUEQTMQNSHY-RMNBPEERSA-N	334.759	2.238	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1OC	5334094	GEUGAYLOUDHRKH-MOSHPQCFSA-N	341.411	2.463	50	40	EEGB	
O=C(CC(=O)Nc1ccccc1Cl)N/N=C/c1ccc(O)cc1O	222700	HLKGWCJRRNBVCK-GIJQJNRQSA-N	347.758	2.230	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c(C)c1	30843091	RMNNWUMUTFJJBF-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
C=CCc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(OCC)c1O	308810	QTXBRLJJTPZTPK-LFIBNONCSA-N	342.395	2.285	50	40	EEGB	
O=C(CCNC(=O)c1ccccc1Cl)N/N=C/c1ccc(O)cc1	2675800	WRRYTLXWZJCHCK-RGVLZGJSSA-N	345.786	2.316	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(O)c1	499612	SYHDWWGHFGWVLV-HNNXBMFYSA-N	331.331	2.452	50	40	EEGB	biogenic,in-vitro
N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(N)=O	408755777	WFJHNQFCKXIHPK-FMIVXFBMSA-N	337.291	2.206	50	40	EEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	5164100	PYQWSUQYZGASHS-VCHYOVAHSA-N	326.308	2.298	50	40	EEGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N/NC(=O)CC#N	5369476	JIHGVZNVLCWIRJ-MFOYZWKCSA-N	337.177	2.183	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1C	3089028	LCOGZSHQCGEWJV-VXLYETTFSA-N	339.351	2.090	50	40	EEGB	
CCc1nc2sc3c(c2c(=O)n1NC(=O)CCl)CCCC3	3227198	CUVDDEYCMGFIJT-UHFFFAOYSA-N	325.821	2.208	50	40	EEGB	
CC1=C(C#N)C(O)=NC(=O)/C1=N/Nc1cc(C)c(C)cc1[N+](=O)[O-]	101114613	VSTJLXUFMDSVFG-CPNJWEJPSA-N	327.300	2.316	50	40	EEGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccccc1	408891697	BLLITIDFCGBOMK-NDENLUEZSA-N	340.427	2.459	50	40	EEGB	
CCCc1n[nH]c2c1[C@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2	5075322	KSZQNQVOKLANHH-CQSZACIVSA-N	326.356	2.295	50	40	EEGB	
N=C(NNC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1	8023197	HDWYFYNBPCJCRR-UHFFFAOYSA-N	339.182	2.414	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1O	136336	RWQSNMVQMOLXQI-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1	5463873	UJLRESGGFWSNPI-UGUYLWEFSA-N	342.395	2.094	50	40	EEGB	
COc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(OC)c1OC	50757	CXLUAWATLIUUQO-MRXNPFEDSA-N	344.367	2.383	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)CCc2ccccc2O)cc1	549967	WYSJVPGJVIYIDT-XDHOZWIPSA-N	326.352	2.262	50	40	EEGB	
Cc1c(C(=O)NNc2ncccn2)cnn1-c1ccc(F)cc1F	42041662	KJWKHIKHPWWAAU-UHFFFAOYSA-N	330.298	2.006	50	40	EEGB	
NNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	32115708	QJFFVAKSMVYCCW-QGZVFWFLSA-N	327.409	2.064	50	40	EEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC	5817632	MJZPVVPDSKDJJA-OAHLLOKOSA-N	326.356	2.344	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccccc1	58884222	SBLVPGVUKCDXNW-CIAFOILYSA-N	340.427	2.316	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)c(O)c([N+](=O)[O-])c1	409360121	LBVPIWHVPYXYBD-ZDLGFXPLSA-N	343.339	2.310	50	40	EEGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc2ccccc2c1	6541283	GYIDDQXKCXTBNG-HNNXBMFYSA-N	329.425	2.128	50	40	EEGB	
COc1ccc(-c2noc(-c3ccccc3C(=O)NN)n2)cc1OC	78401093	NUMQAJCDKNIEEE-UHFFFAOYSA-N	340.339	2.024	50	40	EEGB	
CCCCC(=O)NN/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O	2305071	VPZKPCHXNOYNIB-RAXLEYEMSA-N	344.371	2.113	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(Cl)cc12	50555	JIMOGQJRTRFRLC-QGZVFWFLSA-N	341.754	2.261	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1C	3081436	WRKBTGJGPGEKBS-UZYVYHOESA-N	337.379	2.179	50	40	EEGB	
Cc1cc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)ccc1Cl	6556585	RDDMIJUERQVRHW-UHFFFAOYSA-N	343.770	2.500	50	40	EEGB	
COc1cccc(C(=O)N/N=C\c2cc3c(cc2OC)OCO3)c1	409067958	FANKKLDZFBYOSL-NVMNQCDNSA-N	328.324	2.196	50	40	EEGB	
CC(=O)/C(C(=O)OC(C)C)=C1/N=C(NC(=O)CCl)c2ccccc21	151103	XMJZFNJIYKLKJM-PFONDFGASA-N	348.786	2.054	50	40	EEGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1O	4965427	KKRKHFACKZDFQL-CXUHLZMHSA-N	344.283	2.363	50	40	EEGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	408868690	OBHMPOBFPSUFSE-SXGWCWSVSA-N	344.283	2.276	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	408602973	PJSPPEJKTOXSIQ-KEBDBYFISA-N	349.337	2.007	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(F)cc1	270321	IHRKTBZKHRLQPV-UKTHLTGXSA-N	339.326	2.235	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccc(O)cc1	3250514	LVIKGYITZHSWSM-UHFFFAOYSA-N	342.376	2.169	50	40	EEGB	
COc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])c(OC)c1OC	15503907	KIKCCAQVBHIGIB-UHFFFAOYSA-N	347.327	2.378	50	40	EEGB	
CC(=O)Oc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1	408753849	OGTHAOWMSVULOM-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CSCc1ccc(Cl)cc1	104447078	NBEQMFAIHGHKBQ-RAXLEYEMSA-N	338.816	2.442	50	40	EEGB	
C/C(CCc1ccccc1)=N\NC(=O)C(=O)NCCc1ccccc1	5221338	SMGVWVKRHKORRG-CJLVFECKSA-N	337.423	2.470	50	40	EEGB	
CCOC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1	382306	UXJAOIPJISIOBG-XDHOZWIPSA-N	326.352	2.392	50	40	EEGB	
Cc1ccccc1OCCC(=O)NNC(=O)COc1cccc(F)c1	2661309	VXBSGWOCLVNPLW-UHFFFAOYSA-N	346.358	2.129	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)cc1	409091711	TYFKOWSSNKHYNC-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1C	36157557	ZVXBCCTWTKMCHU-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
Cc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)c1ccccn1	4616407	UORVDLFLOJOVBO-UHFFFAOYSA-N	326.331	2.014	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C	100260211	RZDSRRVVVJVDHU-FCGSJESLSA-N	330.384	2.267	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=S)NCc2ccccc2)c1	2072169	YRBQGSBAJLNCCC-UHFFFAOYSA-N	329.425	2.069	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@@H](c1cccc(OC)c1)C(C#N)=C(N)O2	2338210	QTMQIUKVVASMSZ-INIZCTEOSA-N	337.379	2.403	50	40	EEGB	
CCOC(=O)Cc1n[nH]c2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2	6499285	HLCSEJKHTHKPSZ-QMTHXVAHSA-N	328.372	2.041	50	40	EEGB	
N#CC1=CC[C@@H](NC(=O)c2ccccc2)[C@@H](NC(=O)c2ccccc2)O1	4267628	OAWOECMKRMOSGB-XLIONFOSSA-N	347.374	2.369	50	40	EEGB	biogenic
CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1	562619	ZDRQQCRZLYZHBD-DEDYPNTBSA-N	340.379	2.321	50	40	EEGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1	2335059	PNJHPLOJPZTVDT-XDHOZWIPSA-N	341.367	2.270	50	40	EEGB	
Cc1ccc(NP(=O)(N2CCOCC2)N2CCOCC2)cc1	98042984	QBFINNNJZNSXRL-UHFFFAOYSA-N	325.349	2.179	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CCCCCC2)ccc1O	6844758	KMEGULGPBRUFLE-XDHOZWIPSA-N	347.415	2.080	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1sc2c(c1C#N)CCCC2	100929837	FINPTEBPVQLZHF-JYRVWZFOSA-N	338.392	2.291	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)CCc2nc(-c3ccccc3)no2)n1	22235107	WWWVDRYDRKHIBD-UHFFFAOYSA-N	338.371	2.219	50	40	EEGB	
N#CC1=C(S)NC(=S)[C@@H]([n+]2ccccc2)[C@H]1c1cccnc1	33723891	XWWFFNCIUCUYEV-KBPBESRZSA-O	325.442	2.290	50	40	EEGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cccn3C)oc12	409104734	FGKZTAZUFKMRJC-RQZCQDPDSA-N	342.311	2.452	50	40	EEGB	
CCc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	6198118	HJTKBLIBBFMTBA-INIZCTEOSA-N	347.378	2.340	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1	59435540	GCFIRIVDOAICKG-GIJQJNRQSA-N	335.816	2.476	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@@H]2C1	4730204	STKLZHWEOUVTRO-MSOLQXFVSA-N	344.422	2.215	50	40	EEGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCOc1ccccc1	9254898	GSLRVHITYKJADJ-CYBMUJFWSA-N	346.358	2.210	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1OC	408776559	PPEYWVLHKLCCMY-YBFXNURJSA-N	342.351	2.393	50	40	EEGB	
CC(C)[C@H]1CC[C@H](C)[C@@H]([C@@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	12436809	MGXQEUVYHVTMNX-JQZVDIJISA-N	338.411	2.233	50	40	EEGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	20813933	RUBWMWXAKBDPHG-GDBMZVCRSA-N	335.436	2.493	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OCC	59334438	GJTOZWCOUAKIJC-ZROIWOOFSA-N	346.383	2.022	50	40	EEGB	
CC[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	2754651	VKSATQIBTLTSIL-CQSZACIVSA-N	326.352	2.370	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1	550344	HMTQWEGPJYVDEQ-SKCAXOJKSA-N	327.409	2.036	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2cccc(C)c2)cc1	5548436	WMFLFDLWQMHULW-DHZHZOJOSA-N	340.379	2.243	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1	345591	RAJKIANAHBUIFA-RGVLZGJSSA-N	325.368	2.344	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccccc2C)C1	2797163	FLRVZCCVABWZMU-LSDHHAIUSA-N	330.384	2.203	50	40	EEGB	
CCOC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1	95705863	GSHBBCMSNYKVAA-AWEZNQCLSA-N	333.259	2.404	50	40	EEGB	in-vitro
Cn1ccnc1CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1614972605	INUOKKQMAMSYSG-WFASDCNBSA-N	334.217	2.142	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1	5514961	CQSZIHHGMODTIO-RGVLZGJSSA-N	345.786	2.115	50	40	EEGB	
Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)C3CC3)c(C)c12	29509607	IIGLGAMTQQQUMP-UHFFFAOYSA-N	330.413	2.357	50	40	EEGB	
O=C(O)CSC/C(=N/NC(=O)c1cccnc1)c1ccccc1	18193822	RVZYCMLYFSQNCL-JXAWBTAJSA-N	329.381	2.034	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	1956706	PINLILGDNGNRLS-MHWRWJLKSA-N	328.284	2.196	50	40	EEGB	
CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	8567992	WCSFRACCVXBNIH-IBGZPJMESA-N	349.394	2.237	50	40	EEGB	
C/C(=N/NC(=O)CCC(=O)Nc1ccccc1)c1ccc(O)cc1O	16661215	GWIFHUOCKXSRBH-NDENLUEZSA-N	341.367	2.357	50	40	EEGB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCl)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	6183866	NWASYGSCEIZROR-JRWXTEBISA-N	338.787	2.180	50	40	EEGB	biogenic
COc1ccc(Cc2nnc(NC(=O)CCl)s2)cc1OC	5527332	DUVIBITWRCUWRU-UHFFFAOYSA-N	327.793	2.323	50	40	EEGB	
O=S1(=O)[C@@H]2CC[C@H](Br)[C@H]1CC[C@@H]2Br	5664940	RZDTXAKCTKLMRB-RULNZFCNSA-N	332.057	2.253	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	567339	UBVNAGKWTRKFBV-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cnn(C)c2)c1C	53410354	ZMDMCUJSNCPCOT-CAOOACKPSA-N	325.416	2.472	50	40	EEGB	
CCOc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1O	108317491	NUULDYRNIWMZQM-WQRHYEAKSA-N	343.339	2.392	50	40	EEGB	
N#Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1	12601727	GSTTXSZPIMIENK-UHFFFAOYSA-N	332.319	2.288	50	40	EEGB	
CCOc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)[nH]n2)cc1	39502338	WREKJUWZXXPTJJ-UHFFFAOYSA-N	341.415	2.287	50	40	EEGB	
CCc1ccc([C@@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1	9324656	JWMNFILRCDIXRE-ZDUSSCGKSA-N	330.409	2.494	50	40	EEGB	
N#C/C(=C1\NC(=O)c2ccccc21)c1nc2ccccc2n1CCO	72120161	OGERPIZNHRNITB-SAPNQHFASA-N	330.347	2.164	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)COc2c(C)cccc2C)cc1	6208835	VPOSRBAHQKPPLU-UHFFFAOYSA-N	342.395	2.081	50	40	EEGB	
O=C(CCCc1cccs1)NNC(=O)[C@H]1COc2ccccc2O1	12551975	GLNLNMLLBJKFSL-OAHLLOKOSA-N	346.408	2.058	50	40	EEGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cccnc2O)c1	12933605	SWGNSOFPLOOXJX-UHFFFAOYSA-N	343.383	2.059	50	40	EEGB	
N#CCOc1ccccc1/C=N/NC(=O)CNc1ccc(F)cc1	409351963	ZWJNXFGYBYZUJE-SRZZPIQSSA-N	326.331	2.290	50	40	EEGB	
COc1cccc(/C=N/NC(=O)CNc2ccc(F)cc2)c1OC	487166	KRZPVIJUZSEXBX-KEBDBYFISA-N	331.347	2.405	50	40	EEGB	
CCN1C(=O)/C(=N/NC(=O)CNc2ccccc2C)c2ccccc21	100882384	SVKGJKHCDHRSCC-RELWKKBWSA-N	336.395	2.294	50	40	EEGB	
CCCc1[nH]nc2c1C1(CCC(C(=O)OCC)CC1)C(C#N)=C(N)O2	377733	DFSSUDGRKLWIEH-UHFFFAOYSA-N	344.415	2.440	50	40	EEGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1	408908734	RSOFBGSZGAVBTP-HDAKKWKLSA-N	339.395	2.494	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1OC	409382381	LEWICALNPLAKBL-UDWIEESQSA-N	333.432	2.466	50	40	EEGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1cc(Br)c[nH]1	32747642	SQDVBMUHHQKOBN-OMCISZLKSA-N	336.145	2.239	50	40	EEGB	
CN(C)C[C@@]1(C=O)CC[C@H](Br)[C@H](Br)C1	4962518	NKMVPQUAEQLEAN-IVZWLZJFSA-N	327.060	2.444	50	40	EEGB	
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1	15461821	JYDOKAPLCBAFBI-MRXNPFEDSA-N	327.359	2.080	50	40	EEGB	
CCCCN(CC)C(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1	9460099	QTJKSSKGVGIFCG-CYBMUJFWSA-N	332.404	2.188	50	40	EEGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(OCC)c1O	13427328	QTXBRLJJTPZTPK-WJDWOHSUSA-N	342.395	2.285	50	40	EEGB	
CCn1c(NNC(=O)c2c(F)cccc2F)nc2ccccc2c1=O	40489509	QFIPSFBHZCASSW-UHFFFAOYSA-N	344.321	2.452	50	40	EEGB	
Cc1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@]23CC(=O)OC3=O)cc1	59690746	WKZWARGPGUQSOL-BZNIZROVSA-N	347.417	2.442	50	40	EEGB	
COc1ccccc1C(=O)NNC(=S)NCCCc1ccccc1	408588047	WOJLCXSGMPCYGW-UHFFFAOYSA-N	343.452	2.437	50	40	EEGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(F)cc2F)C1=O	9047604	DFIKEPGZYUTHGS-LCYFTJDESA-N	347.321	2.116	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCCCCC2)cc1	7115159	PKYKDYPBHIIPIT-UHFFFAOYSA-N	346.475	2.170	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3145599	ZXUZJABSVGULML-LZYBPNLTSA-N	332.247	2.406	50	40	EEGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OC	5359192	XLDMKGPFLLSMLX-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Br)cc1	1668575	HLDQXCGOODMIFO-UHFFFAOYSA-N	335.161	2.311	50	40	EEGB	
N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)Nc1ccc(F)cc1	409227472	YZVGZHPLIWQISR-UKTHLTGXSA-N	339.326	2.235	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1	6235784	LLXBXXXOACEHDA-IFRROFPPSA-N	341.396	2.354	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2c(F)cccc2Cl)o1	4086384	WHTDYGKSGFJIKH-FBCYGCLPSA-N	337.738	2.261	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1	266399	JRJGLNVKHMJTOW-UHFFFAOYSA-N	325.368	2.039	50	40	EEGB	
Cc1cc(OCC(=O)NNC(=O)CCc2ccco2)ccc1Cl	15497512	RVBHFLGWBKDWQA-UHFFFAOYSA-N	336.775	2.400	50	40	EEGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2c1	421465	BYDNOFUHQFBGBR-HNNXBMFYSA-N	333.351	2.086	50	40	EEGB	
O=C(NNC(=O)c1ccco1)c1ccc(OCc2cccnc2)cc1	24487509	VKGWCUZLRMKQFK-UHFFFAOYSA-N	337.335	2.328	50	40	EEGB	
COCCCNC(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C	100924316	MZPJXEDZMIUQEJ-ONERCXAPSA-N	346.265	2.298	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=O)N1CCC(n2cccc2)CC1	58556546	DZZACYQQWUFMLI-UHFFFAOYSA-N	326.400	2.488	50	40	EEGB	
C[C@H](OCC(F)(F)F)C(=O)N/N=c1\sc2ccccc2n1C	31728958	OQFFUZPJAKOUMW-VAUJLXHZSA-N	333.335	2.139	50	40	EEGB	
O=C(NNC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccoc1	61500812	ZABUAOBOXKLTMY-UHFFFAOYSA-N	336.731	2.169	50	40	EEGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1	5359808	HOMYNSMYAOILSD-RGVLZGJSSA-N	345.786	2.115	50	40	EEGB	
CCCOc1ccccc1/C=N\NC(=O)Cn1c([N+](=O)[O-])cnc1C	32125464	HTTQPCLQYUJOOQ-NVMNQCDNSA-N	345.359	2.039	50	40	EEGB	
C/C(CC(=O)Nc1ccccn1)=N\NC(=O)COc1ccccc1C	4181813	FLEIFEJZSJUJNC-KGENOOAVSA-N	340.383	2.290	50	40	EEGB	
Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1ccccc1Cl	58428422	QDLZYPUSSVTHHS-SECBINFHSA-N	334.807	2.255	50	40	EEGB	
O=S1(=O)CC[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]21	3913896	XZWWZQICRWKCLV-CWKFCGSDSA-N	332.057	2.111	50	40	EEGB	
O=C(NC[C@@H]1CCCO1)NN=C1CCN(c2ccc(F)cc2)CC1	64911189	NQHWJKIAFFWHJZ-INIZCTEOSA-N	334.395	2.260	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1F	4695816	WYONBFHALUURFA-RQZCQDPDSA-N	346.274	2.335	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	1439192	LABNXTUJWGIQNA-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
COc1ccc(F)c([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1	499533	AIQPCPGUTTZVIO-CQSZACIVSA-N	328.299	2.314	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(OC)cc2)c1	59472866	KKGXJPFFDDTYQH-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
COc1cccc(-n2nnc(C(=O)NN(C)c3ccccc3)c2C)c1	58378110	CAFPGAKHNRXOMY-UHFFFAOYSA-N	337.383	2.366	50	40	EEGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(N2CCOCC2)cc1	5163696	DRYMPPDNVMAXRD-XSFVSMFZSA-N	339.395	2.383	50	40	EEGB	
NNC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	226307059	DGBVDKDBTTXKOW-UHFFFAOYSA-N	335.157	2.272	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc2sc(=O)oc12	268718	BRVGTYWNIKYOJA-REZTVBANSA-N	329.337	2.022	50	40	EEGB	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc(C(C)(C)C)o1	69630059	GFAKYGFLNXVSNU-SECBINFHSA-N	328.438	2.041	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cccc(OC)c2)CC(=O)N1	1239914	VOJYJPCUOBFFJZ-ZDUSSCGKSA-N	346.408	2.330	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@@H]2C1	4457531	HXRLDRLVUGPECD-MSOLQXFVSA-N	344.422	2.215	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(C)n1-c1ccccc1C	104463643	YAKBJCVSPAJNLQ-QBFSEMIESA-N	327.413	2.302	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	3555193	ITWGLWGXBVUKFQ-JXMROGBWSA-N	325.324	2.378	50	40	EEGB	
CCOC(=O)Cc1n[nH]c2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2	6499284	HLCSEJKHTHKPSZ-YGRLFVJLSA-N	328.372	2.041	50	40	EEGB	
O=C(Cc1ccccc1)NNC(=S)NCCCc1ccccc1	408587369	UIJQHEWIBOQSGG-UHFFFAOYSA-N	327.453	2.357	50	40	EEGB	
COc1ccc2cc(/C=N/NC(=O)c3ccccc3O)c(O)nc2c1	13810769	MPNAPBVPTPZQKF-VXLYETTFSA-N	337.335	2.419	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C#N)cc2)n1	8336680	PNEFDDDDBZTIQK-GIJQJNRQSA-N	325.397	2.208	50	40	EEGB	
CCN1C(=O)/C(=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21	100849668	DHAXQIJJUUCSLV-RELWKKBWSA-N	336.395	2.294	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(F)cc1	160190	ZJEAORVDJQJSRH-CYBMUJFWSA-N	344.371	2.384	50	40	EEGB	
CC(CO)(CO)/N=C/c1ccc(N(CCCl)CCCl)cc1	1704578	YSXJPVQEBDSHTG-VCHYOVAHSA-N	333.259	2.133	50	40	EEGB	
O=C(Cc1ccc(F)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	8523384	LIAIZQZCDSKYHJ-QGMBQPNBSA-N	345.286	2.155	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	580495	YIGCRBUJPPGPSP-LICLKQGHSA-N	326.312	2.317	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C	16805083	RZDSRRVVVJVDHU-RIYWLQNKSA-N	330.384	2.267	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cc4ccccc4o3)ccc21	37657	UNBHIPZHPRLUQE-RGVLZGJSSA-N	348.362	2.387	50	40	EEGB	
CC12CN3CCN(CC(C3)/C1=N/NC(=O)Nc1ccc(Cl)cc1)C2	101520242	BZSROUGOTRPBCC-HKWRFOASSA-N	347.850	2.085	50	40	EEGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccn2)cc1	564212	KXPSCKRTXFTFPX-UDWIEESQSA-N	334.335	2.334	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1OC	4499495	OZPALIFMCZHGEM-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
O=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccc2c(c1)OCO2	383208	LUGHKHGQFANVPE-VXLYETTFSA-N	336.351	2.375	50	40	EEGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1	520048	APSOMBILXZWHQR-WYMLVPIESA-N	329.400	2.472	50	40	EEGB	
Cc1nc(C(=O)NNC(=O)CC(C)C)nn1-c1ccc(Cl)cc1	21972459	JOSOWZVMLQRQOO-UHFFFAOYSA-N	335.795	2.036	50	40	EEGB	
CC(C)N(C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(C)C	7251324	WDXFWNZHLKKQAE-GFCCVEGCSA-N	348.472	2.396	50	40	EEGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1	409188267	YAYKLGOTPWZIMY-ZDLGFXPLSA-N	330.340	2.374	50	40	EEGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(C)o2)cc1	2100016	FTFKNPSIAQBYQH-WOJGMQOQSA-N	329.356	2.466	50	40	EEGB	
NNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1	5583666	ONRKMIHSEWPNQG-UHFFFAOYSA-N	334.173	2.305	50	40	EEGB	
O=C(NCCSCc1ccccc1F)NNC(=O)c1cccnc1	32802014	YKVXHBCNMLBPHW-UHFFFAOYSA-N	348.403	2.098	50	40	EEGB	
COc1ccc(F)c([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1	499532	AIQPCPGUTTZVIO-AWEZNQCLSA-N	328.299	2.314	50	40	EEGB	
C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(O)cc1	409363393	LQOLSZVXWXBXAB-XDHOZWIPSA-N	326.352	2.246	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)c1	13637888	WZBQYQBUYAHOBC-VXLYETTFSA-N	337.335	2.006	50	40	EEGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)C(C)(C)C	408778955	NNHWNCZZGQMSKZ-GZTJUZNOSA-N	343.424	2.130	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC	3352449	KNQXZAGYKUDMCH-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cccs1	59197649	APWQEFBHWRGVOM-OVCLIPMQSA-N	335.341	2.437	50	40	EEGB	
COc1cc(C(=O)N/N=C/c2cccc(C)n2)cc(OC)c1OC	59484639	KCHHBATXPLTCPC-VCHYOVAHSA-N	329.356	2.180	50	40	EEGB	
O=C(NNC(=S)S)c1ccc(NC(=O)c2ccccc2)cc1	26503604	SNKDJKBEHCIPQP-UHFFFAOYSA-N	331.422	2.388	50	40	EEGB	
O=C(CCn1c(=O)oc2ccccc21)NNc1nc2ccccc2o1	500357	FWRMOEAQIINERW-UHFFFAOYSA-N	338.323	2.269	50	40	EEGB	
CC/C(=N\NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(O)cc1	41700720	IZZKHGCIEKBOPS-FBMGVBCBSA-N	346.408	2.340	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC)c2O)cc1OC	4735396	XABXUWHUZHINGT-YBFXNURJSA-N	344.367	2.111	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020518	VLDLLMKYRMJOPX-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
Cc1ccc(C(=O)N[C@H](C)C(=O)O)cc1N(CCCl)CCCl	2004929	FAFSIGAQUUPWEZ-LLVKDONJSA-N	347.242	2.482	50	40	EEGB	
Clc1nc(N2CCOCC2)c2ccc(CBr)nc2n1	77011611	QWKYGOMPVPPFDV-UHFFFAOYSA-N	343.612	2.410	50	40	EEGB	
O=C(O)[C@@H](Br)CCCC[C@@H](Br)C(=O)O	1707298	DWXFXWYNVJXVQQ-OLQVQODUSA-N	331.988	2.243	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccccc1	3602768	NALAALXEPWOMIX-UHFFFAOYSA-N	326.381	2.116	50	40	EEGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1	409267269	UINXNQBQZYLRCJ-KEBDBYFISA-N	345.786	2.121	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c(O)c1	13584623	BOBBZWIZFUEHIK-KLSKMWHSSA-N	342.351	2.081	50	40	EEGB	
COc1cccc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)c1OC	20238195	ODOKHJVUQHPGJC-LBPRGKRZSA-N	345.424	2.348	50	40	EEGB	
O=C(Cc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	562633	CDEPQGLCYUOPLV-RQZCQDPDSA-N	327.296	2.016	50	40	EEGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccncc1	5605222	VTLUGQOFIYMSCT-FRKPEAEDSA-N	336.145	2.019	50	40	EEGB	
CC(C)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)n2)cn1	1584610220	UNCDKOJLBIZZAV-UHFFFAOYSA-N	333.779	2.025	50	40	EEGB	
CCOC(=O)c1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	125140	KPDQMUVDZNNNOO-HNNXBMFYSA-N	342.351	2.118	50	40	EEGB	
COc1ccccc1[C@H]1C[C@H]1C(=O)NNC(=O)c1scnc1C	104641869	BMFBZHJUQBQKFX-VXGBXAGGSA-N	331.397	2.025	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]	59921244	DUZRPRUZQHLMPC-CAOOACKPSA-N	327.296	2.396	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1O	35800503	TXQRKKJKEKDJPC-NVMNQCDNSA-N	347.302	2.141	50	40	EEGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccnc1	5322954	DTCTWGZLMPEBEN-LBPRGKRZSA-N	327.365	2.456	50	40	EEGB	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccccc1O	13006357	GELWQZWVVMJMHV-JTQLQIEISA-N	334.759	2.274	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C#N)cc2)c(OC)c1	3277352	PJRFMADSZYPICJ-RGVLZGJSSA-N	339.351	2.105	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c(C)c1	5271844	XCDZNAAZEXXHFH-UHFFFAOYSA-N	326.352	2.149	50	40	EEGB	
C/C(=N\NC(=O)CNC1CCCCC1)c1ccc2c(c1)OCCO2	409389444	ZDGNGOCKTFFECX-DEDYPNTBSA-N	331.416	2.220	50	40	EEGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1C	32118861	PWFYCQZZNQMMGW-UHFFFAOYSA-N	333.438	2.314	50	40	EEGB	
NNC(=O)COc1c(Cl)cc(Br)c2cccnc12	225394044	ZHGGYFYLROZGME-UHFFFAOYSA-N	330.569	2.019	50	40	EEGB	
Cc1cc(=O)[nH]c(SSc2[nH]c(=O)cc(C)c2C#N)c1C#N	5401599	HJAHRZVBYKGEEH-UHFFFAOYSA-N	330.394	2.223	50	40	EEGB	
CCc1ccc(C(=O)NNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1	13011585	XEMHEMIURZSRSQ-MRXNPFEDSA-N	338.363	2.312	50	40	EEGB	
C=CCc1cccc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O	251974	KMWLAAVIASQQEK-YBFXNURJSA-N	335.367	2.016	50	40	EEGB	
CC1(C)OC[C@@H](CO[P@@](N)(=O)N(CCCl)CCCl)O1	1730289	YKXMOSMMYHSZNZ-ZRNGKTOUSA-N	335.168	2.001	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1OC	1021034	AXLUZCQUXZUISH-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
COC(=O)c1cccc(/C=N/NC(=O)c2c(C)nc3sccn23)c1	59435406	FPWJAWIBTCMPIC-RQZCQDPDSA-N	342.380	2.255	50	40	EEGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(OC)cc(OC)n2)cc1	3194898	QYSYWMZYLDBFBQ-XYOKQWHBSA-N	340.339	2.048	50	40	EEGB	
COc1cccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c1	409102812	UGUFPVBLKSZOTL-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
O=C(NNC(=S)NC(=O)c1cccs1)c1ccc(Cl)cc1	5945318	KAKJFZXQXVPILD-UHFFFAOYSA-N	339.829	2.351	50	40	EEGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(Br)cc1	325140	MZTDUHYESAJYHN-UHFFFAOYSA-N	335.157	2.230	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc(C)c2)[C@H](C(=O)O)C1	2749605	PSYNERHKHQCQBM-CHWSQXEVSA-N	336.413	2.265	50	40	EEGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCC#N	59334876	RGFNQTUWHBCTMO-GDNBJRDFSA-N	325.368	2.321	50	40	EEGB	
Cn1nccc1C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	63536629	OELZUWBYKVNVNO-UHFFFAOYSA-N	344.371	2.363	50	40	EEGB	
CCCCCCN1C(=O)N=C(O)/C(=C/NNC(=O)CCCC)C1=O	6782980	ZEFLZAKDQXIXQU-QXMHVHEDSA-N	338.408	2.180	50	40	EEGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Cl)c2)cc1	409258384	XIZCTGKQGRSZTM-UKWGHVSLSA-N	345.786	2.276	50	40	EEGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccnc2)c1	409100666	RJFQYYBQMDMGBD-UDWIEESQSA-N	334.335	2.334	50	40	EEGB	
Cc1cc(C)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c(C)c1	217377878	UWGWMTVGGPHOHB-CYBMUJFWSA-N	329.849	2.371	50	40	EEGB	
C[C@H]1CN(C(=O)N2CCC3(CC2)C[C@H]3Br)C[C@@H](C)O1	1615055978	WRVALCMYMLODRC-GRYCIOLGSA-N	331.254	2.465	50	40	EEGB	
Cc1c(C(=O)O)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2	40812100	IKOYOPWXSNGXCO-LDADJPATSA-N	328.324	2.462	50	40	EEGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1)C(=O)O	59302948	WQGAHSNRGVYUIS-VSMYLPJWSA-N	330.315	2.442	50	40	EEGB	
CCCNC(=O)N(NC(=O)CCC)c1nc(C(=O)OCC)cs1	3768074	OHNRYCTZUSXXTL-UHFFFAOYSA-N	342.421	2.077	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCC#N)c1	33618493	GSDQWSOSGWAXGP-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1c[nH]c2ccccc12	103247791	XQZIIDCJJFHJOL-PGUXBMHVSA-N	328.441	2.465	50	40	EEGB	
CCOC(=O)[C@@H](Br)[C@H](Br)c1cncnc1	110768832	XVFFXMMOSIGCEH-SFYZADRCSA-N	337.999	2.239	50	40	EEGB	
CC(C)(O)C(=O)N/N=C/c1cccc(OC(=O)C2CCCCC2)c1	32578381	NCUCRWYPGPMOAN-XDHOZWIPSA-N	332.400	2.393	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)Cn2ccc(C(F)(F)F)n2)cc1	4964838	GLEVHCMNSXJIFM-VXLYETTFSA-N	340.305	2.451	50	40	EEGB	
COc1ccc2c3c1O[C@@]1(C)[C@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393466	WZEWESPKYJQUSE-JRHNHFRFSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1	581954	NZRGMKWQZRONGP-YBFXNURJSA-N	339.351	2.196	50	40	EEGB	
O=C(CC1(O)CCCCCC1)NNC(=O)c1c[nH]c2ccccc12	70007443	UFDLPOSFFAXLEZ-UHFFFAOYSA-N	329.400	2.404	50	40	EEGB	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCO2	6546189	DQPJSXOIQRSEPY-UHFFFAOYSA-N	335.319	2.038	50	40	EEGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1O	7003220	DYDJQKXVSADLEZ-OQLLNIDSSA-N	326.443	2.437	50	40	EEGB	
Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)c1	16269263	CZJMSRBNWUXWNQ-CYBMUJFWSA-N	336.395	2.268	50	40	EEGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cccc(O)c1	5724981	NEIULAARPHPINN-UHFFFAOYSA-N	334.759	2.194	50	40	EEGB	
O=C(NNS(=O)(=O)c1cc(Cl)sc1Cl)c1ccco1	20627847	FBZZEINFLBADEY-UHFFFAOYSA-N	341.197	2.271	50	40	EEGB	
CCOC(=O)[C@@H](Br)[C@@H](Br)c1cncnc1	110768839	XVFFXMMOSIGCEH-YUMQZZPRSA-N	337.999	2.239	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccccc1	4091302	YPPVELWAWVZZLN-YBFXNURJSA-N	326.400	2.069	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)c(OC)c1	323909	QLXCTZRRWFMYBZ-RQZCQDPDSA-N	344.396	2.485	50	40	EEGB	
COc1cccc(/C=C/C(=O)NNC(=O)COc2cccc(F)c2)c1	3553234	HAKNGSBHSFFDSK-CMDGGOBGSA-N	344.342	2.074	50	40	EEGB	
COc1ccccc1Nc1ncccc1C(=O)NNC(=O)C1CC1	52819383	VBFJKBHJQQLDIM-UHFFFAOYSA-N	326.356	2.005	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1OCC	57509072	AREJURYBKJAQJO-CQSZACIVSA-N	338.791	2.495	50	40	EEGB	
COC(=O)[C@@H](Br)[C@H](Br)CBr	100252260	BHLSTJKFRQSGRP-DMTCNVIQSA-N	338.821	2.081	50	40	EEGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	100230567	AZTKVTYXXONLGD-JIPSRSKRSA-N	330.384	2.426	50	40	EEGB	
CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1OC	40549572	QYEIILVBEAAVAJ-ZSOIEALJSA-N	330.384	2.342	50	40	EEGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2cccc(F)c2)c2ccccc21	6080240	KBEWLRQLIIUJSV-ZVBGSRNCSA-N	338.342	2.030	50	40	EEGB	
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(N)=O	3127329	LOTVDZBOPDTVME-XDHOZWIPSA-N	326.404	2.173	50	40	EEGB	
CCOC(=O)[C@H](Br)[C@H](Br)c1cncnc1	110768829	XVFFXMMOSIGCEH-HTQZYQBOSA-N	337.999	2.239	50	40	EEGB	
COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)Nc1ccccc1	409014766	YKYOBOUPUCOHGK-YBFXNURJSA-N	341.367	2.183	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])c(C)c1	36178013	FHQLIOPNFMTURD-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
COC(=O)Cc1csc(N(C(=O)/C=C/c2ccc(C)o2)N(C)C)n1	585124916	ACIRIHOLNBYOOA-BQYQJAHWSA-N	349.412	2.283	50	40	EEGB	
Cc1nccn1CC(=O)NN=Cc1cc(Br)cs1	2209885	CBOJSPIKOFRSSC-UHFFFAOYSA-N	327.207	2.166	50	40	EEGB	
Cc1ccc([N+](=O)[O-])cc1P(=O)(O)c1cc([N+](=O)[O-])ccc1C	1725604	WXBOLJNHJSEAHM-UHFFFAOYSA-N	336.240	2.341	50	40	EEGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2F)c2ccccc21	107930198	ALWGJBWYTLVWFI-ZVBGSRNCSA-N	338.342	2.030	50	40	EEGB	
O=C(CNc1ccccc1)NNC(=O)COc1ccc2ccccc2c1	58323859	ZREDPCYSIZGXQG-UHFFFAOYSA-N	349.390	2.478	50	40	EEGB	
CCN(CC)c1ccc2cc(/C(C)=N/NC(=O)CC#N)c(=O)oc2c1	4561248	WDLIKTLHUCAHEL-UDWIEESQSA-N	340.383	2.393	50	40	EEGB	
O=C(N/N=C\c1cc(Cl)ccc1O)[C@@H]1COc2ccccc2O1	13581803	ASWQHOBBWZNAFX-VHXYRJIDSA-N	332.743	2.336	50	40	EEGB	
COc1ccccc1NC(=O)NNC(=S)NCc1ccccc1	2640195	HGMDUVRBHHKFAD-UHFFFAOYSA-N	330.413	2.396	50	40	EEGB	
COc1ccccc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1scnc1C	104641883	BMFBZHJUQBQKFX-RYUDHWBXSA-N	331.397	2.025	50	40	EEGB	
CC[C@H]1CCc2sc(C(=O)NNC(=O)c3cnccn3)cc2C1	11529048	YQGXRGSUDOFVPQ-JTQLQIEISA-N	330.413	2.128	50	40	EEGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(N)=O)cc1	4672484	LZMFMJZYANGTSW-VXLYETTFSA-N	326.356	2.015	50	40	EEGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)N1CCCCC1	58884603	BCWYEOLKMVRWDE-VXLYETTFSA-N	327.306	2.168	50	40	EEGB	
C[C@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)OC2=O	100747147	OTWRGWSKJQRMNC-JUWDTYFHSA-N	340.011	2.262	50	40	EEGB	
O=C(CCc1cccs1)NNC(=O)c1cc(Br)c[nH]1	14111986	ZSDRJHVUXWJCIH-UHFFFAOYSA-N	342.218	2.233	50	40	EEGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	36289599	OLSDLOHVINUOFD-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
CC1(C)C(C#N)=C(SCC(=O)Nc2ccccc2)NC(=O)[C@H]1C#N	141456	FHJMUPUFNBZYDI-GFCCVEGCSA-N	340.408	2.389	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	34715814	TYMGHWZWVMFQJW-MFOYZWKCSA-N	343.295	2.066	50	40	EEGB	
COc1ccc2c(c1)CCN(C(=O)CCl)[C@H]2C1C(=O)CCCC1=O	4730483	NKGLLIJGFIODNP-GOSISDBHSA-N	349.814	2.298	50	40	EEGB	
NNC(=O)COc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1	1405718	GANUGRBSWBVJQY-UHFFFAOYSA-N	338.342	2.318	50	40	EEGB	
NNC(=O)CN1C(=O)Nc2ccccc2[C@@H]1c1ccc(Cl)cc1	97165872	MQBBMCIXCBCDFG-HNNXBMFYSA-N	330.775	2.267	50	40	EEGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)NCCCOC)O[C@H](C)C2	5070200	NBWCFYBXIDBKGO-BPKVKKHESA-N	344.411	2.468	50	40	EEGB	
Cc1ccc(O)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c1	409361125	GSJOQBUZNDELFH-ODLFYWEKSA-N	326.352	2.165	50	40	EEGB	
NNC(=O)c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	73640483	XQUCVZZZVXMTOD-UHFFFAOYSA-N	326.106	2.221	50	40	EEGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1	4344543	LBMHCHOEPRVODO-AWQFTUOYSA-N	336.273	2.189	50	40	EEGB	
COC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(C(Cl)Cl)o1	102436135	RWUPKNHFUSBOHM-QMMMGPOBSA-N	344.154	2.190	50	40	EEGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1C	3092360	LRXZACDAAGSEDR-DJKKODMXSA-N	339.351	2.121	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(O)c1	3576512	LDVIVBVXTGEJIE-GIJQJNRQSA-N	328.324	2.284	50	40	EEGB	
O=S1(=O)CC[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]21	3913894	XZWWZQICRWKCLV-HSNKUXOKSA-N	332.057	2.111	50	40	EEGB	
CCO[C@@H](C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253397995	GJTKMVWVUUNZDC-ZUZCIYMTSA-N	328.372	2.253	50	40	EEGB	
COC(=O)N[C@](C#N)(C(Cl)Cl)[C@@H]1CCC=C1N1CCOCC1	101411793	NYUODDVJIISVCR-YGRLFVJLSA-N	348.230	2.035	50	40	EEGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C	2697916	JRQSBPFQAPOVTN-MRXNPFEDSA-N	328.368	2.266	50	40	EEGB	
N#CC1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccccc1Cl	3073392	DVPYNSDSJJYAKD-SECBINFHSA-N	332.772	2.304	50	40	EEGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O	2751796	KEVKWDPSSCIPJZ-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(F)(F)F)c1C	41791646	HJCWCNDEVNARPU-NTUHNPAUSA-N	329.322	2.337	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1Cl	58884824	OJYXURDIZURGDW-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)c(O)c1	409391824	LRNBQJLNOLXQMD-YBFXNURJSA-N	325.324	2.067	50	40	EEGB	
COc1cc(/C=N\NC(=O)COc2ccccc2)cc(OC)c1OC	33319083	YUMFRLUUZCHNJX-ODLFYWEKSA-N	344.367	2.242	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1	3072743	OKPSBVHOTBKVCX-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
CC1(C)Nc2ccccc2C2=C1SSC2=C(C(N)=O)C(N)=O	361820	CSMHJKIHHOPIDX-UHFFFAOYSA-N	333.438	2.222	50	40	EEGB	
COC(=O)[C@H](C)N(CCCl)[P@@]1(=O)OCCCN1CCCl	105473524	YFEUFZCINSWDOQ-FVINQWEUSA-N	347.179	2.158	50	40	EEGB	
Cn1c(CC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc21	3369240	NTLSIKNBABSWBJ-UHFFFAOYSA-N	342.786	2.230	50	40	EEGB	
C#CCOc1cccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)c1	409320086	BTHOVXLMQRCSDB-MOSHPQCFSA-N	338.363	2.480	50	40	EEGB	
CC[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1nc([N+](=O)[O-])cc1C	252488267	IOIXFRASGDGHMZ-XVBMGZJVSA-N	339.352	2.402	50	40	EEGB	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1c(F)cccc1F	32904295	XCOXJPQVAMSVID-UHFFFAOYSA-N	342.305	2.225	50	40	EEGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1	572018	DVVNGJZXKZAWKT-ZHACJKMWSA-N	341.367	2.493	50	40	EEGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1(C)C	57614923	QCVJKNHNIHPWPX-DOMZBBRYSA-N	330.384	2.415	50	40	EEGB	
CCN(NC(=O)CNC(=O)Cc1ccccc1)c1ccc(C)cc1	9690249	YSTNSNKGRZFOER-UHFFFAOYSA-N	325.412	2.211	50	40	EEGB	
Cc1ncc(CO)c(/C=N/NC(=O)c2cc3c(s2)CCCC3)c1O	6417515	OGUDLMSRWCHDFY-UFWORHAWSA-N	345.424	2.292	50	40	EEGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccn1	8088055	DOSWBJZXVCLDAJ-UHFFFAOYSA-N	337.335	2.328	50	40	EEGB	
Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)sc(N)c1C#N	408729052	CFACYFKMBQYYIZ-UHFFFAOYSA-N	329.341	2.183	50	40	EEGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)NCc1ccccc1	7156846	FYDWWTOYDRSXQW-MHWRWJLKSA-N	336.347	2.373	50	40	EEGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1ccccc1)C(F)(F)F	3103180	IQJXMJFOIJFJBK-GFCCVEGCSA-N	338.713	2.275	50	40	EEGB	
CC(C)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3387133	JWBARUUGICJOIU-UHFFFAOYSA-N	340.379	2.428	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59503409	FZYGNZMSLXNGLF-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
COc1cccc(/C=N\NC(=O)c2cccs2)c1O[C@@H](C)C(=O)O	409237436	WUEJYHLWMXCDAX-HLGUWXJESA-N	348.380	2.373	50	40	EEGB	
CCc1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1	575420529	BOJPERBUFOTHEV-IUCAKERBSA-N	338.907	2.001	50	40	EEGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C(=O)O)[C@@H]2Br	675030122	LCCMBQFZQLNVJO-URUOUCFMSA-N	340.011	2.357	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2	342440	LUYKDALVAGNUCX-YBFXNURJSA-N	326.352	2.295	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)CCc2ccccc2)c1	378952	CPYJPHIOIKKJFL-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21	2440533	DUHYBUYIOGEWLH-MRXNPFEDSA-N	337.379	2.311	50	40	EEGB	
O=C(Cn1cncn1)N/N=C/c1ccc(OCc2ccccc2)cc1	3196473	MPIGKNJQSUIAGC-KEBDBYFISA-N	335.367	2.007	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1F)c1ccc2c(c1)OCO2	73261546	MQAUZRDAEOUBNR-STQMWFEESA-N	342.326	2.119	50	40	EEGB	
Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	5553414	YNXDEKKYOCGUHL-GJZGRUSLSA-N	329.787	2.413	50	40	EEGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccc(O)c1	59434244	HMMHJPROMALOCR-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
CO[C@H](C(=O)N/N=C/c1ccc(OC(C)=O)cc1)c1ccccc1	59383054	NJLJJQFJXBNQGM-DAQNXSASSA-N	326.352	2.450	50	40	EEGB	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1oc2ccccc2c1C	12601819	VBBADIUQSKREHA-UHFFFAOYSA-N	340.383	2.095	50	40	EEGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc(F)c(Cl)c1	14109072	HESODCTVFMPJCL-UHFFFAOYSA-N	342.779	2.031	50	40	EEGB	
O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccn1	14876803	YTISBHCADPETLG-UHFFFAOYSA-N	345.358	2.387	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)O	5697220	QVRCJJDUOXMWKO-NEBZKDRISA-N	346.383	2.042	50	40	EEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1	8219999	GLCRXVQSXMTWHD-RGVLZGJSSA-N	327.384	2.344	50	40	EEGB	
O=C(N/N=C/c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1	1574197	KNINYAQCRVFTGY-QGMBQPNBSA-N	325.246	2.387	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)Cc2c(C)noc2C)c2ccccc2n1	53599611	QSLSZXGSAQAGRO-UHFFFAOYSA-N	338.367	2.152	50	40	EEGB	
CCOC(=O)C/C(C)=N\NC(=O)COc1ccc(Cl)c(C)c1	110237151	WRFOUPHFYPCLAU-BOPFTXTBSA-N	326.780	2.473	50	40	EEGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)C1(C)C	72853562	JOPJICPNUMBGPQ-VNQPRFMTSA-N	328.412	2.376	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1	408980566	FPMILJUKDIWTKB-YBFXNURJSA-N	334.383	2.107	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)c(C)o1	16149720	CJUNUQXTIILVPA-UHFFFAOYSA-N	328.777	2.173	50	40	EEGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1c(C)nc3ccccn13)C(O)=N2	8134660	ZLPHPNNVYUYNIK-UHFFFAOYSA-N	349.350	2.387	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CN2Cc3ccccc3C2)ccc1O	6960046	USGDGRXOTNTXTI-KEBDBYFISA-N	339.395	2.257	50	40	EEGB	
CCOC(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	7986261	RRSNPOHMGXVFLA-UHFFFAOYSA-N	346.714	2.298	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccc(F)cc2)c2ccccc21	103461810	QEMVYSRZIQDRLU-XLNRJJMWSA-N	340.358	2.125	50	40	EEGB	
CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1	59434198	WLNBXVJPJJODAO-XDHOZWIPSA-N	333.388	2.484	50	40	EEGB	
O=C(NNC(=O)N1CCCCC1)c1ccc(Br)cc1	9583296	KJIDSOQKXXFHTG-UHFFFAOYSA-N	326.194	2.289	50	40	EEGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cc(F)ccc1O	102979255	HEIXCBYILQMDKT-MWJIIQFGSA-N	330.315	2.212	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020502	GNWFMLYQMAEZCI-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
Cn1c(CC(=O)NNC(=O)CC2CCCCC2)nc2ccccc21	6651717	VVJIMIZKKUNNCZ-UHFFFAOYSA-N	328.416	2.234	50	40	EEGB	
O=C1C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)O1	100746741	OZNWSPULTYIMLI-JUTLINNMSA-N	345.401	2.286	50	40	EEGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1	1574200	IPIZDZPMQISFFX-AWQFTUOYSA-N	336.273	2.189	50	40	EEGB	
C/C(=N\NC(=O)CSc1ncccn1)c1ccc([N+](=O)[O-])cc1	408771919	KCFNMTVNOGHBEE-LICLKQGHSA-N	331.357	2.017	50	40	EEGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	5653884	AAKPKCUIJSMQHG-AAWPKVBNSA-N	330.384	2.296	50	40	EEGB	
O=C(Cn1cnc2ccccc21)NNC(=S)Nc1ccccc1	5589771	IBWRIWYCSKGOHS-UHFFFAOYSA-N	325.397	2.054	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1cc(Cl)ccc12	368662	QLEVHEDHICSWJA-QGZVFWFLSA-N	341.754	2.261	50	40	EEGB	
O=C(CCC(=O)OC(CCl)CCl)Nc1cccc(C(=O)O)c1	2750254	NAKXVUXYSCNELW-UHFFFAOYSA-N	348.182	2.493	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc(C)c2)[C@@H](C(=O)O)C1	2749607	PSYNERHKHQCQBM-OLZOCXBDSA-N	336.413	2.265	50	40	EEGB	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccco2)c(OC)c1	55124464	FOUKTPKKVFPVDM-GRSHGNNSSA-N	340.339	2.451	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	36094386	LJAMVCIVZMOOAS-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1	333945	OWNMPYAXKMEFRP-UHFFFAOYSA-N	346.386	2.384	50	40	EEGB	
COc1cc(CC(=O)N/N=C/c2ccccc2)c([N+](=O)[O-])cc1OC	500481	ZGAPWQNANZNNNO-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
N#CC1=C(S)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(F)cc1	2272664	CKCOWOWSPHMETP-CABCVRRESA-O	326.376	2.233	50	40	EEGB	
CCC[C@@H](CCC(=O)NNC(=O)c1ccccc1Cl)C(=O)O	2339383	KRTYAGOACDPVFC-JTQLQIEISA-N	326.780	2.382	50	40	EEGB	
COc1ccc(CCC(=O)N/N=C/c2cc(OC)ccc2O)cc1	3127375	NRIQADBTNHNWEC-XDHOZWIPSA-N	328.368	2.492	50	40	EEGB	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1cccs1	2316346	PIHSOWAIYWSQEL-AATRIKPKSA-N	337.451	2.159	50	40	EEGB	
C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc2ccccc12	5218849	ZHPPCLZKZKTJLN-XDHOZWIPSA-N	337.339	2.485	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)ccc2OC)c1	581650	WXVZXEZVCFQJFB-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	5550171	ZUEVSQKEARMLSV-LSDHHAIUSA-N	345.786	2.113	50	40	EEGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	5721356	UMHHKPDOEJMFDN-DEDYPNTBSA-N	341.436	2.218	50	40	EEGB	
O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1	3324399	ZVBJKMCUSBGDPX-VXLYETTFSA-N	346.770	2.496	50	40	EEGB	
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCCl)c1	3887080	WKZUJMAJXMJCHH-UHFFFAOYSA-N	325.217	2.158	50	40	EEGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnccn1	33299922	LINCEJWCYJSNHD-OCKHKDLRSA-N	337.295	2.409	50	40	EEGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O	95483003	BYWHHWNNRXOMCI-YVLHZVERSA-N	329.312	2.089	50	40	EEGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1	364006	OCVMYIAQALJQFI-UHFFFAOYSA-N	340.166	2.228	50	40	EEGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1	281991	YVNBQPVSKLYAOQ-UHFFFAOYSA-N	337.694	2.462	50	40	EEGB	
Cc1ccccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1	1801242	DHHJPDKAOOERMI-UHFFFAOYSA-N	348.786	2.254	50	40	EEGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1cccs1	3187650	QCSMLDXPJCHAKY-UBKPWBPPSA-N	329.303	2.079	50	40	EEGB	
Cc1ccccc1OCC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4578327	QKPZKLIBZTVSID-UHFFFAOYSA-N	346.299	2.334	50	40	EEGB	
CN(NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	3136435	FMHBZUUPXKMJOD-UHFFFAOYSA-N	330.300	2.213	50	40	EEGB	biogenic
COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccn2)c1	101475310	JRUZZIMGEZBLFA-UDWIEESQSA-N	326.356	2.225	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1	63182928	SMRVGTXZFZLHFW-LRDDRELGSA-N	343.383	2.404	50	40	EEGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1	409004067	WKHJHEQPHBMVJN-GZTJUZNOSA-N	329.381	2.402	50	40	EEGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(N)=O)cc2)cc1	33351464	PESLSPBMXVQGFX-VXLYETTFSA-N	327.340	2.054	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	42083099	XNLATTNWZZBULS-UHFFFAOYSA-N	346.368	2.235	50	40	EEGB	
CCC1(CC)[C@@H](ON=C(C)C)NC(Cl)=C(C#N)[C@]1(C#N)C(N)=O	22172448	HHFVHSULLXQFLP-UKRRQHHQSA-N	337.811	2.104	50	40	EEGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccsc1	7984264	ZSBKKQYUHQLKAK-XMHGGMMESA-N	342.468	2.411	50	40	EEGB	
COc1cccc(NC(=S)NNC(=O)Cc2csc(C)n2)c1	7561080	KYJUXIPPEPEXAU-UHFFFAOYSA-N	336.442	2.020	50	40	EEGB	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)CNc1ccccc1F	7785456	KDWIOAXXDVQVSE-DGCLKSJQSA-N	338.452	2.312	50	40	EEGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNc1ccncc1	33789881	IYPWXSUEVITTQT-XUXNNNHQSA-N	342.443	2.246	50	40	EEGB	
C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1ccc(N)cc1	100923156	UZAOCEQJZMHLNO-WSDLNYQXSA-N	335.367	2.275	50	40	EEGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)CCN1CCOCC1)CCC2	25480956	ZNHQLHSAOIKDHO-CZIZESTLSA-N	329.444	2.182	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)n1	20215765	IBWOKVPYBQMEKE-SDNWHVSQSA-N	335.415	2.184	50	40	EEGB	
O=C(CSCc1ccccc1)N/N=C1/C(=O)Nc2ccccc21	18254971	IUXCXFWTUGXJEM-UHFFFAOYSA-N	325.393	2.392	50	40	EEGB	
CCOC(=O)/C(C#N)=C1\C(=O)N(C)c2ccc(Br)cc21	409118471	NIHSJRWEJLVRAN-BENRWUELSA-N	335.157	2.266	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1	36489945	JSBDZKKZWVBKTQ-NVMNQCDNSA-N	328.328	2.171	50	40	EEGB	
OB(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br	169995128	HTTRUFHCNMHBPG-UHFFFAOYSA-N	336.822	2.167	50	40	EEGB	in-vitro
CCN(CC)c1ccc(/C=N\NC(=O)Cc2cccn2C)c(O)c1	12411683	MQYCKJSOLWQZKX-UYRXBGFRSA-N	328.416	2.270	50	40	EEGB	
Cc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1S(C)(=O)=O	44845384	UKZNRQCBUBMKIJ-UHFFFAOYSA-N	349.368	2.064	50	40	EEGB	
CCOC(=O)NNC(=O)c1c(Br)c2ccccc2n1C	70017685	DSGIKQZYYSYOEX-UHFFFAOYSA-N	340.177	2.332	50	40	EEGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc2c(c1)OCCO2	408586419	BUAPOKOIEXFRSV-MIQLPHMESA-N	326.352	2.032	50	40	EEGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)C(F)F	32624753	JDZRGJQIGNYAFL-UHFFFAOYSA-N	325.271	2.145	50	40	EEGB	
O=C(O)[C@@H](Br)CCCC[C@H](Br)C(=O)O	1707297	DWXFXWYNVJXVQQ-WDSKDSINSA-N	331.988	2.243	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1	12517342	ALFLZBKVRAUOLG-UHFFFAOYSA-N	349.394	2.013	50	40	EEGB	
CO[C@@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	2307277	RTSVRZSIVRGCRT-MRXNPFEDSA-N	332.787	2.418	50	40	EEGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc(Cl)c(Cl)c1	59516107	HWIXHDWPFGFIHS-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(C)=O)c2ccccc21	89398	WTIWADQMHLYONZ-IBGZPJMESA-N	335.363	2.044	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1C	2756237	ARCJESVHHIOAEV-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
C[C@@H](OCC(F)(F)F)C(=O)N/N=c1/sc2ccccc2n1C	104386035	OQFFUZPJAKOUMW-ICLKLUNKSA-N	333.335	2.139	50	40	EEGB	
CS[C@@]1(N2CCCCC2)NC(=O)C(C#N)=C(c2ccccc2)N1	19794327	TWKSOOJOOVXUEV-QGZVFWFLSA-N	328.441	2.101	50	40	EEGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1O	5172060	POEKNDKCGRPVBE-UHFFFAOYSA-N	337.335	2.430	50	40	EEGB	
CN(C)c1ccc(C(=NNC(N)=O)c2ccc(N(C)C)cc2)cc1	5586339	HMJNNVBMBPRIHA-UHFFFAOYSA-N	325.416	2.239	50	40	EEGB	
C[C@@H]1CCCCN1C(=O)NNC(=O)c1cc(Br)c[nH]1	49339281	YDZYIQZDLMOECH-MRVPVSSYSA-N	329.198	2.006	50	40	EEGB	
CC/C(=N/NC(=O)c1cccs1)c1ccc(OCC(N)=O)cc1	5523044	UTALEGAAQWUWET-AQTBWJFISA-N	331.397	2.156	50	40	EEGB	
CCOC(=O)Nc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1	14513693	BMWLRMQRRZQBDH-UHFFFAOYSA-N	329.360	2.419	50	40	EEGB	
Cc1ccc(CN(C)[C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)cc1	9646098	AXNOXRDYJJLBSV-CQSZACIVSA-N	343.402	2.416	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)COc2cccc3cccnc23)o1	408997065	QLLYZRQIWULJEN-RGVLZGJSSA-N	338.367	2.423	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1cc(CSc2nnnn2C)cs1	8306822	HJPLXASYKZSFBA-BJMVGYQFSA-N	335.414	2.034	50	40	EEGB	
N#C/C(C(=O)Nc1ccc2c(c1)OCCO2)=C1\N=C(N)c2ccccc21	100425253	VURUBVAATSQDID-SAPNQHFASA-N	346.346	2.050	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1Br	5072801	QXRNKXRNNBZVTN-VIZOYTHASA-N	337.177	2.253	50	40	EEGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12	6649062	ACTMWCWDVWYZGN-KEBDBYFISA-N	345.362	2.477	50	40	EEGB	
C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(C#N)cc1	5783950	SKNUQRKWRUADAK-KEBDBYFISA-N	335.289	2.314	50	40	EEGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)NC[C@H]1CCCO1	408735313	QIWFESPTZSGRQA-OALRPVAKSA-N	325.162	2.244	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3ccc(Cl)cc3)ccc21	204949	UQTPJFIJKHLHNS-VXLYETTFSA-N	342.786	2.294	50	40	EEGB	biogenic
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	1100209	AZTKVTYXXONLGD-MCGHTFFLSA-N	330.384	2.426	50	40	EEGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1cccc(Cl)c1Cl	2421027	DYBVYXXTMAECIJ-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
CCC[C@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	5297143	UWOZGVSFBGMRFI-QWRGUYRKSA-N	334.445	2.055	50	40	EEGB	
O=C(OC(=O)C(F)(F)Br)C(F)(F)Br	97949853	QCBDDIHRXCJILE-UHFFFAOYSA-N	331.841	2.032	50	40	EEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	59629	JSBXPAKVKLSYHK-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	28266	UBTMHIUGDWUKMQ-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
CCOC(=O)c1sc2nc(C)[nH]c(=O)c2c1CBr	3171912	KYQHBFGKLGPBEW-UHFFFAOYSA-N	331.191	2.365	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1	103050293	PFBKLJZVDVFRKL-LVZFUZTISA-N	340.408	2.444	50	40	EEGB	
O=C(N/N=C/c1cc2ccccc2nc1O)c1ccc2c(c1)OCCO2	13801838	PZKPNQMJZMHHBR-RGVLZGJSSA-N	349.346	2.476	50	40	EEGB	
CC(C)[C@@H]1CC[C@H](C)[C@@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	4816192	MGXQEUVYHVTMNX-JLMZAJLHSA-N	338.411	2.233	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c1	369731	RMURBUHBXMEALJ-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)ccc1O	5463798	XUYFYDGXVUEBSO-XDHOZWIPSA-N	347.415	2.080	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccccc1	383354	ZXYPNRZATKWCHQ-CYBMUJFWSA-N	326.381	2.244	50	40	EEGB	
C/C(=N\NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1O	100253019	QOZWCVGVSHYBKY-FCGSJESLSA-N	330.384	2.354	50	40	EEGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1)c1ccccc1	59515602	KSWXPHNKQFGCSJ-GNUZOCDUSA-N	338.411	2.080	50	40	EEGB	
O=C(NNC(=O)c1cccc2ncccc12)c1ccc2c(c1)OCCO2	12546205	VIHPPRBGESAVOR-UHFFFAOYSA-N	349.346	2.081	50	40	EEGB	
CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21	5791877	COROQAFTLUMIDF-DYTRJAOYSA-N	337.379	2.261	50	40	EEGB	
CS[C@]1(N2CCCCC2)NC(=O)C(C#N)=C(c2ccccc2)N1	19794328	TWKSOOJOOVXUEV-KRWDZBQOSA-N	328.441	2.101	50	40	EEGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc([N+](=O)[O-])c1	409045366	INSCNJLRLCPPLZ-CXUHLZMHSA-N	344.283	2.363	50	40	EEGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccc1O	174903	WGCLGCWPGZERHK-YBFXNURJSA-N	336.351	2.356	50	40	EEGB	
O=C(NCCCn1ccnc1)NNc1ccc(OC(F)(F)F)cc1	42895290	CKDIAQVQTBGPIA-UHFFFAOYSA-N	343.309	2.498	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCCC2)cc1	409168044	KWUVMZUKUCSMCV-RVDMUPIBSA-N	328.368	2.158	50	40	EEGB	
CC(C)=NNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	19955249	WMXUFDGTNAIHNN-UHFFFAOYSA-N	333.413	2.118	50	40	EEGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccncc1	2766142	WESSTAGSVOIYQK-RQZCQDPDSA-N	334.173	2.373	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccn1	4180741	LWPKVAPLYCNFTC-XDHOZWIPSA-N	339.355	2.354	50	40	EEGB	
COc1cc(C(=O)NNC(=O)c2ccccc2C)cc(OC)c1OC	146454	LMIVYBIETNZLGF-UHFFFAOYSA-N	344.367	2.096	50	40	EEGB	
C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccs1	4696839	GNFXCDMTRHENBV-CJINARDKSA-N	327.409	2.118	50	40	EEGB	in-vitro
CC1(CC(=O)N/N=C/c2cccc(Br)c2)OCCCO1	59366736	QXFGUIAMDJBSHR-MHWRWJLKSA-N	341.205	2.442	50	40	EEGB	
Cc1ccn2cc(C(=O)NNC(=O)c3cc4c(s3)CCC4)nc2c1	15720386	JJYFWCIKDXZVEZ-UHFFFAOYSA-N	340.408	2.268	50	40	EEGB	
O=C(NNC(=O)c1n[nH]c2ccccc12)c1cc2c(s1)CCC2	15938855	XKHXUNIWJRICEX-UHFFFAOYSA-N	326.381	2.188	50	40	EEGB	
Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)CCCl)cc21	408538094	IYXIYQUHERGDFO-UHFFFAOYSA-N	336.823	2.045	50	40	EEGB	
COC(=O)[C@@H]1C(=O)N2CCCSC2=C(C#N)[C@@H]1c1cccs1	129327	PUFMKBQYAMNPLU-NEPJUHHUSA-N	334.422	2.335	50	40	EEGB	
COc1c(C)cnc(Cn2cc(CCBr)nn2)c1C	52227234	UZMFHVFJFWCXGP-UHFFFAOYSA-N	325.210	2.284	50	40	EEGB	
CN1C(=O)N[C@@H](c2ccccc2)C([N+](=O)[O-])=C1CBr	3124918	QUFVSMNBTRDRFH-JTQLQIEISA-N	326.150	2.266	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])sc(N)c1C#N	2186707	LORLOGFRTPKIAD-REZTVBANSA-N	329.341	2.183	50	40	EEGB	
Cc1cc(NC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)no1	58331704	ODPSEIXVIVAUGM-UHFFFAOYSA-N	346.315	2.128	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408967540	QTKYBJNQKRQRMX-KEBDBYFISA-N	327.315	2.478	50	40	EEGB	
Cc1noc(C(C)C)c1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	8029698	YERFPIDJUKQKHE-NSHDSACASA-N	349.362	2.474	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2ccc(O)c(CN(C)C)c2)cc1	31870734	HSMCOUDGGGGSNH-ODLFYWEKSA-N	327.384	2.226	50	40	EEGB	
Cc1[nH]c(C(=O)NNC(=O)c2ccoc2C)c(C)c1C(=O)OC(C)C	10028897	XQNBLZCPHVUOFY-UHFFFAOYSA-N	347.371	2.173	50	40	EEGB	
NNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	14186255	JZEMQAOAJGODNH-GOSISDBHSA-N	341.436	2.107	50	40	EEGB	
O=S1(=O)CC[C@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21	169680112	XZWWZQICRWKCLV-XAMCCFCMSA-N	332.057	2.111	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)O	8812349	KNMBYPSQDCLPTA-DJKKODMXSA-N	346.314	2.062	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)CC2(C)SCCS2)c1	409361476	HKALKRWSHFRRRM-OQLLNIDSSA-N	326.443	2.437	50	40	EEGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1csc([N+](=O)[O-])c1	44290837	SEBAWDPQUONWLI-UHFFFAOYSA-N	349.368	2.113	50	40	EEGB	
O=C(CC(=O)N/N=C/c1ccccc1Cl)NCc1ccccc1	3057581	FSRLJPCBJTUQEC-UDWIEESQSA-N	329.787	2.497	50	40	EEGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)c1C	101518623	DNCVXNNBSLGKLO-IMIFBBOLSA-N	348.424	2.039	50	40	EEGB	
Cc1cc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2cc1C	421478	ZOMFOWDORJDNOL-MRXNPFEDSA-N	347.378	2.395	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)n1	13342896	ADMRIGQKRQQJTH-CAOOACKPSA-N	344.396	2.034	50	40	EEGB	
Cc1nc2c([nH]1)C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2	3908341	CSGBKSXPXDKPNL-UHFFFAOYSA-N	335.411	2.338	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-]	408719832	MTHYIHYKJGIHNU-GYKGCMEESA-N	343.339	2.441	50	40	EEGB	
COC(=O)[C@@H]1C(=O)N2CCCSC2=C(C#N)[C@H]1c1cccs1	129333	PUFMKBQYAMNPLU-RYUDHWBXSA-N	334.422	2.335	50	40	EEGB	
O=C(CSCC(=O)NNc1ccccc1)NNc1ccccc1	1577630	YUDZIRYLUALRQZ-UHFFFAOYSA-N	330.413	2.006	50	40	EEGB	
CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN)cc1	509614	LWYDOSXLKDLBID-RVDMUPIBSA-N	327.409	2.169	50	40	EEGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(N)=O)cc1OC	33406715	HOEYXWSPHKKRDP-YHYXMXQVSA-N	337.173	2.415	50	40	EEGB	
COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccc(C(=O)O)cc1	409245348	RHAJZLIEHYCJEJ-SDNWHVSQSA-N	340.335	2.272	50	40	EEGB	
Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2cccnc2)c1C	13151312	WLJRMZOZOWZZTA-JZJYNLBNSA-N	340.408	2.479	50	40	EEGB	
C[C@H](Cl)C(=O)NCCNC(=O)N1CCC[C@@H]1c1cccs1	32815420	ATHQHCPTRDCZCC-WDEREUQCSA-N	329.853	2.338	50	40	EEGB	
Cc1ccc(NCC(=O)NNC(=S)NCc2ccccc2)cc1C	408585738	IWZVQOCNQURCRW-UHFFFAOYSA-N	342.468	2.411	50	40	EEGB	
O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccco1	13020511	AXSMQKWJSIAFLC-UHFFFAOYSA-N	333.394	2.468	50	40	EEGB	
COc1ccccc1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	9913516	KCNGURFNORLAQW-UHFFFAOYSA-N	337.379	2.109	50	40	EEGB	
Cc1nn([C@@H](C)C(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-]	252503906	VHCBDHQMLFMWLD-JBZZFUPASA-N	339.352	2.320	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	5527219	TYMGHWZWVMFQJW-RQZCQDPDSA-N	343.295	2.066	50	40	EEGB	
O=C(CC(=O)N/N=C/c1cccc2ccccc12)NCc1cccnc1	5338617	BXQKNTBSSUBGGT-OEAKJJBVSA-N	346.390	2.391	50	40	EEGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	287104	NFZIKRYWKJWXAK-FMIVXFBMSA-N	345.355	2.019	50	40	EEGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccco2)cc1	101412137	HXXUGOVEHHLPFX-DEDYPNTBSA-N	343.383	2.143	50	40	EEGB	
CC1(C)[C@H](Br)C(=O)[C@H](Br)C(C)(C)N1O	1567478	LIAOQMDOLHMEGN-KNVOCYPGSA-N	329.032	2.345	50	40	EEGB	
COC(=O)[C@@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1	1714220	QSGQNCHXSFTATQ-LBPRGKRZSA-N	349.258	2.022	50	40	EEGB	
Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	3529642	GYKDVLLWKQQDBW-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
NC(=O)[C@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1	26223419	DRPPJPWFXAZYON-XAPRQVHKSA-N	341.455	2.440	50	40	EEGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(O)cc1	3364274	FNJYGEHSEMXPHQ-UHFFFAOYSA-N	334.759	2.194	50	40	EEGB	
O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc2nccnc2c1	89780802	JECNAYKHCLXSAP-RGVLZGJSSA-N	335.323	2.231	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	5952665	HQUPYWMLLCUVQA-FMIVXFBMSA-N	346.364	2.064	50	40	EEGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCOCC1)[C@H](Br)C2=O	100834622	PSVKKNZQUJYPMT-ONERCXAPSA-N	344.249	2.004	50	40	EEGB	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1	8191437	LMLOEACPFVXCPF-UHFFFAOYSA-N	331.328	2.231	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(OC)cc1	15423075	KCPCQGZFLDRTBA-LBPRGKRZSA-N	343.221	2.314	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	12575276	IBNSRKZGGRXTEX-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
CCCc1cc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)sc1C	26222896	ZAPFSUSPKNZEPN-OAHLLOKOSA-N	331.441	2.470	50	40	EEGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1	409364349	WKVJFNWHNXMMRU-ODLFYWEKSA-N	326.352	2.151	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2)cc1	36033079	QPDUKYZTRRPUKI-JGVLGKFESA-N	348.406	2.341	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	409368372	SBEQWPNVRCKDNP-RVDMUPIBSA-N	328.368	2.158	50	40	EEGB	
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCO2	45140482	YVUVBSNTIWNIIZ-UHFFFAOYSA-N	348.362	2.086	50	40	EEGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OC	28496357	FSMXWBVNRJLSFW-RVDMUPIBSA-N	330.384	2.320	50	40	EEGB	
COc1ccc(NC(=O)C(=O)NN=C2CCCCCC2)c(OC)c1	5513329	JOYAPJIDMYJKHD-UHFFFAOYSA-N	333.388	2.469	50	40	EEGB	
CCOC(=O)c1c(NC(=O)CCl)sc2c1CCN(CC)C2	3268056	XZRKMSHLBYOREH-UHFFFAOYSA-N	330.837	2.480	50	40	EEGB	
N#C/C(C(=O)CSc1n[nH]c(N)n1)=C1\Nc2ccccc2S1	3223246	ZIKSQIXZBGWERI-XFFZJAGNSA-N	330.398	2.001	50	40	EEGB	
N#CC1=C(S)NC(=S)[C@H]([n+]2ccccc2)[C@H]1c1cccnc1	5740916	XWWFFNCIUCUYEV-UONOGXRCSA-O	325.442	2.290	50	40	EEGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3)[C@H]2C1	19943135	WOCKSDHGLYDXHT-DLBZAZTESA-N	333.370	2.181	50	40	EEGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl	13921320	JUTVRZRSWVTGFC-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
CNC(=O)/C(C#N)=C/c1cc(Br)c(Br)o1	4544524	MNFWJOKPXMJDKV-GORDUTHDSA-N	333.967	2.458	50	40	EEGB	
NNC(=O)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1	78401044	WQJNJKQHHPODAN-UHFFFAOYSA-N	328.303	2.058	50	40	EEGB	
COc1cc2c(cc1/C=N/NC(=O)[C@H](C#N)c1ccccc1)OCO2	8114080	KFFJLPKFXTVYMG-DGURAOSJSA-N	337.335	2.181	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(C)o1	40460295	ZQWCJRDSDQNVKH-UHFFFAOYSA-N	328.777	2.173	50	40	EEGB	
O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Cl	59248724	LEFMROTYHUSSII-VXLYETTFSA-N	346.770	2.496	50	40	EEGB	
CSc1ncccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	12855070	QBVNGCSXEOAZHA-JTQLQIEISA-N	349.387	2.171	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1)C(=O)O	408853087	LIJKPCLATUMNOY-IPHDDYSGSA-N	328.324	2.008	50	40	EEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccccc1Cl	58757	OKQMDZLYFADREO-VCHYOVAHSA-N	340.774	2.144	50	40	EEGB	
CN1C(=O)/C(=N\NC(=O)c2cccc3cccnc23)c2ccccc21	64366814	HJSYFQODIDOZHB-FXBPSFAMSA-N	330.347	2.345	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc([N+](=O)[O-])c1O	409039504	RFLBKXSYQOUCNO-LZYBPNLTSA-N	333.300	2.364	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1OC	409133213	PFUOEDFHENALJR-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1O	814180	SCCHTXVYZMHQMO-LBPRGKRZSA-N	332.747	2.304	50	40	EEGB	
O=C(NNC(=O)c1ccco1)c1cccc(NC(=O)c2ccco2)c1	6526502	HFLSNSWZBZXSEC-UHFFFAOYSA-N	339.307	2.200	50	40	EEGB	
NC(=O)Cn1cc(/C=N\NC(=O)Nc2ccccc2)c2ccccc21	35387804	HODUPGZAYAWITA-JMIUGGIZSA-N	335.367	2.282	50	40	EEGB	
CCc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	6198373	HJTKBLIBBFMTBA-MRXNPFEDSA-N	347.378	2.340	50	40	EEGB	
COCCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc21	104384384	AGELGJQTWVBJKJ-QXMHVHEDSA-N	330.413	2.100	50	40	EEGB	
Cn1c(=O)c(C(=O)N/N=C/c2ccccc2F)c(O)c2ccccc21	100699484	WNTOLMYJYYWSLC-KEBDBYFISA-N	339.326	2.147	50	40	EEGB	
COc1ccc(C(N)=O)cc1NS(=O)(=O)[C@H]1CCCC[C@H]1Cl	65566873	AQCFONSIDJCPJP-MFKMUULPSA-N	346.836	2.086	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccccc1	408874318	BEBIIHBUVYMGKZ-UHFFFAOYSA-N	337.445	2.279	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	238971	SWAVOPDQYCUUSQ-WOJGMQOQSA-N	343.339	2.305	50	40	EEGB	
COCc1cc(C)nc2sc(C(N)=O)c(NC(=O)CCl)c12	88641	HBNXQKAVKSYBAB-UHFFFAOYSA-N	327.793	2.027	50	40	EEGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccccc2)[C@@H]13	102602842	HGPVWMBJGZUJGG-QXMWZZNTSA-N	336.185	2.196	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(C)c2O)c([N+](=O)[O-])c1	220704	ZRJDWNJXUOQCKX-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2	2731976	VGLSVDVJADCJAJ-HZGVNTEJSA-N	331.323	2.208	50	40	EEGB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)N1	2337309	SEDRPSQMPZBUSJ-UHFFFAOYSA-N	333.775	2.268	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)CC2CCCCC2)cc1OC	4553339	UGHGSQATDJANJR-UHFFFAOYSA-N	334.416	2.364	50	40	EEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1	5480116	VCTJVVDZBNBURU-LICLKQGHSA-N	327.296	2.478	50	40	EEGB	
COC(=O)Cc1csc(N(C(=O)c2ccoc2C2CC2)N(C)C)n1	585125256	LKJNGFMWYPQTDZ-UHFFFAOYSA-N	349.412	2.452	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccccc2O)sc2ncnc(N)c12	6626131	RFISHSHZCRIVEA-KPSZGOFPSA-N	327.369	2.051	50	40	EEGB	
CN1C(=O)/C(=N\NC(=O)Cc2c[nH]c3ccccc23)c2ccccc21	101208218	DXKGVSRIVKPJBJ-PYCFMQQDSA-N	332.363	2.207	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	59959667	IMOZXFOQPTUCEL-CIAFOILYSA-N	338.411	2.155	50	40	EEGB	
O=C(NNC(=S)NCc1ccco1)C12CC3CC(CC(C3)C1)C2	4598965	RLCBLSAZKWUSRS-UHFFFAOYSA-N	333.457	2.491	50	40	EEGB	
O=C(/C=C/c1ccccc1OC(F)F)NNC(=O)c1cccnc1	14221447	ACCHKYKPRJOYLM-BQYQJAHWSA-N	333.294	2.157	50	40	EEGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1	408904370	IKPBTHBPDCTCRR-JMIUGGIZSA-N	340.383	2.323	50	40	EEGB	
CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1F	252491019	LIOCVIKQYJEBMN-UFWORHAWSA-N	344.325	2.335	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	2749823	HPPMDXLMELLHJT-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
C[C@H](C(=O)NN=C1CCCCC1)N(c1ccccc1)S(C)(=O)=O	408921913	LJHAQAWXWSTVCT-CYBMUJFWSA-N	337.445	2.277	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	261319	LLKJFVPSLAKKGS-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
COC(=O)N1C[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	101042887	UOXRQXOWNBYVAE-YWIQKCBGSA-N	327.016	2.374	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C	8728776	AAAGYSBEIMZZHK-HNNXBMFYSA-N	349.431	2.070	50	40	EEGB	
O=C(O)C(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	1762990	GOFPTJGNSJBOMR-UHFFFAOYSA-N	334.199	2.299	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1	3323853	SRTIOBCMHFFCFC-UHFFFAOYSA-N	345.380	2.457	50	40	EEGB	
O=C(NNC(=O)c1ccccc1OCc1cscn1)c1ccoc1	61500060	OCPNVGSLHPZWRM-UHFFFAOYSA-N	343.364	2.390	50	40	EEGB	
COC(=O)c1ccc(N/C=C(\C#N)C(=O)NCc2ccco2)cc1	7572378	ICPRLPLOYFMYSY-JLHYYAGUSA-N	325.324	2.202	50	40	EEGB	
N#CC1=C(N)Nn2c(nnc2-c2ccccc2Br)S1	20732995	PFFSCXQRJVHPAJ-UHFFFAOYSA-N	335.190	2.008	50	40	EEGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O	8571296	OWIVYIBBOXPWRW-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NC3CCCCC3)ccc21	17070997	AKEHEKXSSQAJEZ-GXDHUFHOSA-N	338.411	2.233	50	40	EEGB	
CCn1c(NNC(=O)c2ccccc2OC)nc2ccccc2c1=O	9857127	SSEQBVDAGPHLRM-UHFFFAOYSA-N	338.367	2.182	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)c(O)c1	409393669	YXLOYJSBGRKSJH-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(C)=O)cc2)cc1	58883218	SBJHRODAZSOHTF-ODLFYWEKSA-N	341.367	2.183	50	40	EEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1	59433941	INRYCOFAOZPYDX-VXLYETTFSA-N	329.331	2.232	50	40	EEGB	
Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)c1ccc2c(c1)OCO2	15938501	LMRYNXIEHICUCQ-WSVATBPTSA-N	328.324	2.207	50	40	EEGB	
O=S1(=O)C[C@H](Cl)[C@H](/N=C/c2ccc(Br)cc2)C1	5893875	NBMCEIAKWVVTFS-DNWUQNBLSA-N	336.638	2.272	50	40	EEGB	
CCOC(=O)/C(C#N)=C\c1cn(CCC(=O)O)nc1-c1ccccc1	6179718	DPGJUSMDSPFBNH-UVTDQMKNSA-N	339.351	2.495	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2	3140097	ZWBTWSCZAQMCEW-VXLYETTFSA-N	342.351	2.343	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2	2196925	YUADGWWIKXAAQK-MRXNPFEDSA-N	337.379	2.403	50	40	EEGB	
O=C(NNC(=O)c1cccc2c1OCCO2)c1cc2c(s1)CCC2	58431866	ANHFIPDYIPLWMH-UHFFFAOYSA-N	344.392	2.083	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(O)c1	499613	SYHDWWGHFGWVLV-OAHLLOKOSA-N	331.331	2.452	50	40	EEGB	biogenic,in-vitro
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2cccc(C)c2)C1	2797249	FCQUMWILAZJEEA-LSDHHAIUSA-N	330.384	2.203	50	40	EEGB	
C[C@@H](/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1	4833246	LOHFVFZLWGEYLU-BXUJETTOSA-N	334.383	2.246	50	40	EEGB	
NNC(=O)COc1ccc(Br)cc1Cc1ccccc1	57352737	WVOXZAQMUIEPMX-UHFFFAOYSA-N	335.201	2.409	50	40	EEGB	
COc1cccc(N2CCC(=NNC(=O)c3cccn3C)CC2)c1	63554895	JASBNFXIHAYCIZ-UHFFFAOYSA-N	326.400	2.420	50	40	EEGB	
COc1cc2c(cc1/C=N\NC(=O)c1cccc(N(C)C)c1)OCO2	409064127	GKGMMJOEOXZFCR-GRSHGNNSSA-N	341.367	2.254	50	40	EEGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccnn1C	508125	NJFGBQIWMPXBMY-VCHYOVAHSA-N	342.790	2.332	50	40	EEGB	
COc1ccc(CC(=O)N/N=C(\C)c2ccccc2O)cc1OC	101658185	RUZHKXGMHPKQSA-XDHOZWIPSA-N	328.368	2.492	50	40	EEGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\C(=O)Nc2ccccc21	5730350	GDPJLHUIEALHLO-UHFFFAOYSA-N	343.770	2.500	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@H](C)C2)cc1	7340581	UBXHCQVCGRDMJA-HNNXBMFYSA-N	346.475	2.026	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)C[C@H]2O	245241883	SLJZDUYMZZFUJQ-SFQFBUFSSA-N	332.400	2.125	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccccc2C(=O)O)cc1OC	566057	FSQZSJGKLGBVFG-VCHYOVAHSA-N	328.324	2.166	50	40	EEGB	
N#C[C@H](/C(=N/NC(N)=O)C(=O)[C@@H](C#N)c1ccccc1)c1ccccc1	8653125	GBRSKFAVFMUQFI-YOYLNRMTSA-N	345.362	2.195	50	40	EEGB	
C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)OC2=O	100747146	OTWRGWSKJQRMNC-DRTBCBBWSA-N	340.011	2.262	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2	16154299	KVWPGGGPHUHYDJ-UHFFFAOYSA-N	334.441	2.213	50	40	EEGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1	83259655	SPCQRVQOMDLFMG-JMIUGGIZSA-N	343.383	2.081	50	40	EEGB	
COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1	5006527	NGPPXVPSSLIMTF-ZRDIBKRKSA-N	340.335	2.314	50	40	EEGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1cccc(Cl)c1	178573	OCVTZBWTLWSFBB-FXBPSFAMSA-N	341.754	2.431	50	40	EEGB	
O=C(NC/C(=N\NC(=O)C1CC1)c1ccccc1)c1ccccc1F	12345970	RMMVCWGVIQYBDA-OQKWZONESA-N	339.370	2.486	50	40	EEGB	
C=CCN(CC=C)C(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	6086116	YJKXSNBALYVZPP-FOWTUZBSSA-N	340.379	2.346	50	40	EEGB	
O=C(COc1ccc(F)cc1)NNC1=C(C(=O)C(F)(F)F)CCC1	409352276	UYGRNSCGMNRAFS-UHFFFAOYSA-N	346.280	2.395	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)cc1OC	5288706	KRQBGSZFDXQVOM-MIQLPHMESA-N	328.368	2.278	50	40	EEGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)NCC=C)c1	3272753	GPCQZFFKIAFJOJ-JYFOCSDGSA-N	346.390	2.105	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC	408777307	YDECDEPNGMLTDU-ZSOIEALJSA-N	346.383	2.069	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1cccc(F)c1	7007450	KFMREGIWVBYFJB-UHFFFAOYSA-N	336.750	2.491	50	40	EEGB	
CC(=O)O[C@@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	100146184	MALAWQUOUSCHNB-MVIOUDGNSA-N	325.636	2.381	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)c(OC)c1	59472514	BTGGLQOSOWYDHB-UHFFFAOYSA-N	338.367	2.160	50	40	EEGB	
Cc1onc(-c2ccc(F)cc2)c1C(=O)NNC(=O)c1ccccn1	46304408	FUXMWIKZYLHJLG-UHFFFAOYSA-N	340.314	2.259	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(C)c(OC)c2)cc1	13004748	FHBFBEDCSGDEIS-UHFFFAOYSA-N	342.395	2.406	50	40	EEGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccccc1Cl	4578032	GZINHKYBFUOPJP-MIEFADMGSA-N	341.798	2.320	50	40	EEGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(NC(=O)C2CC2)cc1	6557788	MKXFAQONRRZBGI-UHFFFAOYSA-N	348.362	2.121	50	40	EEGB	
COc1cccc(OC)c1/C=N/NC(=O)c1c(C)nc2ccccn12	408969877	WDIYCMDVHHAQSZ-YBFXNURJSA-N	338.367	2.424	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1	5199376	PFBKLJZVDVFRKL-JZJYNLBNSA-N	340.408	2.444	50	40	EEGB	
COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1	72368	OAIGXYYMIZKQIA-KRWDZBQOSA-N	338.411	2.272	50	40	EEGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNc1ccc(Cl)cc1	14017276	DPEYBJYSCJTNFT-KBPBESRZSA-N	347.802	2.124	50	40	EEGB	
COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1	409365015	YKWMDBLLQCTBFN-NDENLUEZSA-N	340.379	2.240	50	40	EEGB	
CC1(CC(=O)N/N=C/c2cc3ccccc3nc2Cl)OCCO1	408726201	ADLKZZGTTUQAEQ-VCHYOVAHSA-N	333.775	2.491	50	40	EEGB	
O=C(Cl)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1	45958714	CFGOQMXOKSUDFU-MRVPVSSYSA-N	346.170	2.274	50	40	EEGB	
Cc1ccc(NCC(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])cc1	12543640	AIRNGKUBAOJOCW-UHFFFAOYSA-N	342.355	2.085	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@H](c1ccc([N+](=O)[O-])s1)C(C#N)=C(N)O2	1817940	QHMMHLBKJDSQNL-NSHDSACASA-N	331.309	2.136	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	50359	CHEYLAKCTYMPQV-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NC(C)(C)C)cc1OC	100922297	JOEBJKNSTDMMJP-YBFXNURJSA-N	335.404	2.114	50	40	EEGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccccc1O	409135964	WWKGQIKRYYKPEM-NDENLUEZSA-N	343.358	2.132	50	40	EEGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1C(=O)O	13342914	NDDYQYGTHKFPTB-UDWIEESQSA-N	337.379	2.288	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1	4119130	STKLZHWEOUVTRO-ZWKOTPCHSA-N	344.422	2.215	50	40	EEGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1cccnc1	408728089	VJVHLBZGZTXERT-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1	409362393	JGWDYJLDZPYQCX-MOSHPQCFSA-N	339.395	2.217	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1	102316379	TZLHGBGGZHARSI-HUBLWGQQSA-N	332.473	2.050	50	40	EEGB	
N[C@H](CSc1ccc(N(CCCl)CCCl)cc1)C(=O)O	6045229	VRZFIJYDEBTUJE-GFCCVEGCSA-N	337.272	2.475	50	40	EEGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)C[C@@](C)(O)C3CC3)cc2C1	89930085	WBOLVYXGCWXBSJ-DYZYQPBXSA-N	336.457	2.185	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2cc(=O)c3ccccc3o2)c(C)o1	40459985	IAZYHYFRIPNJEZ-UHFFFAOYSA-N	326.308	2.078	50	40	EEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cncc(Br)c1	257433	AKECINLGBITRFT-YAXRCOADSA-N	348.156	2.337	50	40	EEGB	
O=C(NC1CCCCC1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	102604967	QLBNPROECXKSMD-NGFXDRFKSA-N	342.233	2.006	50	40	EEGB	
CCC(=O)NNC(=O)[C@H](C)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1	69898605	VKHCMBLXNCZVKC-SLEUVZQESA-N	333.432	2.313	50	40	EEGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)OC)c(OCC)c1	4588499	VSHLOLXZNBILPW-NTEUORMPSA-N	346.383	2.070	50	40	EEGB	
COc1cc(C(=O)N/N=C(/C)c2ccccn2)cc(OC)c1OC	6157691	IFCPVGUWPISIDV-ODLFYWEKSA-N	329.356	2.261	50	40	EEGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(Cl)Cl	101412535	CJGDZCYKTJESGO-UHFFFAOYSA-N	344.154	2.375	50	40	EEGB	
CCCCn1cnc2c(SCCNC(=O)N(C)N=O)ncnc21	4887513	WPTVEDCLWQOKGY-UHFFFAOYSA-N	337.409	2.041	50	40	EEGB	
COCc1n[nH]c2c1[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	5686988	HWHZPRUUWOIAKP-CYBMUJFWSA-N	328.397	2.496	50	40	EEGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccncc2)CC1	5632367	GDIQJZLCEDPRRM-UHFFFAOYSA-N	330.432	2.406	50	40	EEGB	
C/C(=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1cccs1	4696840	GNFXCDMTRHENBV-SYCAWLLHSA-N	327.409	2.118	50	40	EEGB	
COc1ccc(CC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4151081	IUZAZISFLIAGND-UHFFFAOYSA-N	346.299	2.197	50	40	EEGB	
CCO[C@@H](C)n1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253408154	XDTHMJSSBKJJAH-BONVTDFDSA-N	328.372	2.253	50	40	EEGB	
COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(C(=O)O)cc1	563897	IUGCOSVDPGZXFR-VXLYETTFSA-N	342.351	2.442	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O	5357237	HHMHAZUDZJIPHU-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1O	38534996	WLDXJNRGQBPYEE-VXLYETTFSA-N	342.351	2.212	50	40	EEGB	
N#CC1=CN(c2ccc(C(N)=O)cc2)c2ccccc2S1(=O)=O	67245519	OYRDCMCAUXJZKG-UHFFFAOYSA-N	325.349	2.076	50	40	EEGB	
O=C(CCc1nnc(-c2ccsc2)o1)NNC(=O)C1CCCC1	47451856	NBNDLHUTYXHVEP-UHFFFAOYSA-N	334.401	2.068	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC	561503	ALKMESQIKMXTFP-DAQNXSASSA-N	328.368	2.278	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	582183	OPMKVLCEWFRWQN-YBFXNURJSA-N	339.351	2.180	50	40	EEGB	
O=C(NNc1ccccn1)NC1CCN(Cc2ccccc2)CC1	12545617	QJYZYMQNTAHSBG-UHFFFAOYSA-N	325.416	2.372	50	40	EEGB	
Cn1cnnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	6413790	GWNPPGUXAUDNJW-LCYFTJDESA-N	329.410	2.429	50	40	EEGB	
C/C(CC(=O)Nc1cccnc1)=N\NC(=O)COc1cccc(C)c1	4180005	OEBLCIIBDHBHCO-KGENOOAVSA-N	340.383	2.290	50	40	EEGB	
O=C(CBr)NC[C@@H](O[C@H]1CCOC1)c1cccc(F)c1	95097936	BLLICQOUBQBWPS-QWHCGFSZSA-N	346.196	2.183	50	40	EEGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(OC)c1O	324781	IRNDHDKKHYNXNX-VXLYETTFSA-N	344.367	2.247	50	40	EEGB	
N#CC1=C(N)Oc2cc(O)cc(O)c2[C@H]1c1cccc([N+](=O)[O-])c1	5569120	YFVHXUOJWVAHHK-AWEZNQCLSA-N	325.280	2.224	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(C(=O)O)c2)cc1	59484964	RTYQKKQAAROCOI-VCHYOVAHSA-N	328.324	2.166	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)c([N+](=O)[O-])cc1OC	409031111	IVKSHEHACLQAIT-LZYBPNLTSA-N	333.300	2.277	50	40	EEGB	
O=C1C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)O1	100746739	OZNWSPULTYIMLI-SIWUQKNHSA-N	345.401	2.286	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1	4675820	ADXANIXZQNPKKW-KEBDBYFISA-N	341.367	2.021	50	40	EEGB	
COc1cc(/C=C(/C#N)S(C)(=O)=O)cc(Br)c1O	97992832	BDZSPRDZAGZCMD-BAQGIRSFSA-N	332.175	2.072	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	497266	CYFBBYYQWXEWAL-RQZCQDPDSA-N	330.413	2.344	50	40	EEGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1O	38193922	OWMIVVDQNIQJIC-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2ccc(Cl)cc2)n1	17218996	UKZGBTCOHPEUIE-WCQYABFASA-N	339.182	2.250	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c(OC)c1	4578489	QNIHROCWUWPMJJ-VCHYOVAHSA-N	330.340	2.269	50	40	EEGB	
CN(C)CCCNCC(=O)NN(c1ccccc1)c1ccccc1	2636203	KHPUYESUJQGZPM-UHFFFAOYSA-N	326.444	2.397	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1Cl	12680009	KCXLGQVSSQLYKF-UHFFFAOYSA-N	346.742	2.242	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	9015491	KIFLEKCSLOYDMO-GFCCVEGCSA-N	334.372	2.461	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)Cc1ccccc1	408739418	BRENOIIYWVJQJM-UOBPLZBXSA-N	334.379	2.370	50	40	EEGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)C(C#N)=C(N)N1	3961771	SAPUAFCWSGOABQ-HNNXBMFYSA-N	340.408	2.017	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccncc1	20086051	HNDCYWWYBCRDJR-OAHLLOKOSA-N	330.347	2.152	50	40	EEGB	
COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	20528837	QLHHWEVSOVDHAC-CQSZACIVSA-N	344.392	2.272	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)c([N+](=O)[O-])cc1OC	3182944	ZBRTVHRVIKDHPC-CXUHLZMHSA-N	349.368	2.366	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(F)cc2F)c1	6203892	DLGSHWGZIPSCKK-UHFFFAOYSA-N	334.322	2.422	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)ccc1O	59444041	HWBPWDTVZOTGMW-DJKKODMXSA-N	338.367	2.429	50	40	EEGB	
COc1ccc(C(N)=O)cc1NS(=O)(=O)[C@@H]1CCCC[C@H]1Cl	65566871	AQCFONSIDJCPJP-ZWNOBZJWSA-N	346.836	2.086	50	40	EEGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)NC(N)=O	409233412	SAAHFYVPDSFOSQ-SXGWCWSVSA-N	346.346	2.239	50	40	EEGB	
CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1cccs1	104305177	GFWJUEYIRVGGKA-KTKRTIGZSA-N	333.442	2.444	50	40	EEGB	
CC(=O)NNC(=S)N/C=C(\C(=O)c1ccccc1)c1ccccc1	104305213	BYPYEAXSKPJHRM-VBKFSLOCSA-N	339.420	2.426	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1	102201676	UJLRESGGFWSNPI-JONQDZQNSA-N	342.395	2.094	50	40	EEGB	
CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	4181575	BIBTZWOJCLHBOX-FQEVSTJZSA-N	349.390	2.268	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1	33680427	KUXSFCBISZDFMG-UDWIEESQSA-N	338.411	2.458	50	40	EEGB	
CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)N(C)C)c2ccccc21	1095547	QJUVHRLFJIWVCN-UKTHLTGXSA-N	325.368	2.200	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1	3009192	LFMUNKSTVHDKRL-ZXOFLVKFSA-N	339.395	2.413	50	40	EEGB	
CSCC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	22698830	CDIRYWZNYHOOMQ-UHFFFAOYSA-N	335.404	2.357	50	40	EEGB	
O=C(NNC(=O)c1ccc(Br)o1)NC1CCCCC1	2755284	JMHBXSPNMSZGQF-UHFFFAOYSA-N	330.182	2.319	50	40	EEGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(N2CCCC2=O)cc1	3401810	XUQNNYNUCNPOLM-UHFFFAOYSA-N	341.342	2.027	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)CSc2ccc([N+](=O)[O-])cc2)n1	65520573	MGNAVOXZAFZAJV-UHFFFAOYSA-N	333.373	2.237	50	40	EEGB	
CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1	408995181	ANWUUZZFQDSUCI-VXLYETTFSA-N	339.351	2.067	50	40	EEGB	
O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCO2	5583395	ZOJSVPBUPZBYKZ-QGMBQPNBSA-N	345.742	2.158	50	40	EEGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)NC2CCCCC2)[C@@H]13	102604974	QLBNPROECXKSMD-QXMWZZNTSA-N	342.233	2.006	50	40	EEGB	
Cc1cc([N+](=O)[O-])cc(C)c1OC(=O)c1ccc(N=C(N)N)cc1	6521966	QQILROLQHSUPQH-UHFFFAOYSA-N	328.328	2.336	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1	1421697	BJETVBDTMYAJQJ-SLDJAQPHSA-N	337.379	2.198	50	40	EEGB	
Cc1ccc2c(c1)/C(=N/NC(=O)Cc1cn3ccsc3n1)C(O)=N2	6210360	NYLAXNYDZRACHZ-UHFFFAOYSA-N	339.380	2.369	50	40	EEGB	
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1	5344004	DOGQAJAQUHIDQG-MPMPPSQCSA-N	336.395	2.320	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	226134	LKHSMNWOLMGLME-UHFFFAOYSA-N	331.759	2.373	50	40	EEGB	
CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(F)cc1	3542016	LSKSSTVAILPQBL-UHFFFAOYSA-N	349.793	2.372	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)o1	408999126	WMSABFWFWKQIOW-CXUHLZMHSA-N	348.384	2.496	50	40	EEGB	
CN(C)c1ccc([C@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)cc1	4235608	FQTRQILXKOEJHW-LLVKDONJSA-N	349.320	2.181	50	40	EEGB	biogenic
COc1ccc(OC)c(/C=N/NC(=O)CNc2ccc(F)cc2)c1	487156	KLFPHPZAEGMCOE-KEBDBYFISA-N	331.347	2.405	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])c(O)c2)c(C)c1	30760625	LIGAXZFBQDPINT-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
CN1C(=O)/C(=N/NC(=O)CSc2ccccc2)c2ccccc21	103744424	NWFLXJLLSCBCGZ-KNTRCKAVSA-N	325.393	2.276	50	40	EEGB	
CC1(CC(=O)N/N=C/c2ccc(Br)cc2)OCCCO1	408718983	DFERYOAMBBOTMD-MHWRWJLKSA-N	341.205	2.442	50	40	EEGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3cccs3)c2O1	6509856	XZYNJNPBVQWENA-UHFFFAOYSA-N	346.408	2.302	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccco1	7519655	KJHAMQILBKPDDT-UHFFFAOYSA-N	335.168	2.210	50	40	EEGB	
COC(=O)Cc1csc(N(C(=O)CCc2ccccc2)N(C)C)n1	585125183	JKSZFSRCXWBHMK-UHFFFAOYSA-N	347.440	2.301	50	40	EEGB	
CCN(CC(=O)N/N=C/c1ccc(O)c(OC)c1)c1ccccc1	4455917	OBZSWKJTXLYNDL-XDHOZWIPSA-N	327.384	2.377	50	40	EEGB	
COc1ccc(Cl)cc1/C=N/NC(=O)Cn1nnc2ccccc21	482719	FPMKONSOVLOHPK-GIJQJNRQSA-N	343.774	2.244	50	40	EEGB	
N#C/C(=C\Nc1ccccc1I)C(N)=S	100808719	BOPWGOTWLNPYKT-VOTSOKGWSA-N	329.166	2.397	50	40	EEGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1	408950634	HENKBUFTFCCNGP-YVLHZVERSA-N	329.312	2.376	50	40	EEGB	
O=C(NNc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1	70716055	XRAHZQQTNWPHQB-UHFFFAOYSA-N	326.324	2.440	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)OCC)cc1OC	147001396	AOMLNCJYRBUEKV-MDWZMJQESA-N	333.340	2.107	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC[C@H]1C2)N/N=C1\C[C@H]2CC[C@H]1C2	103917262	OQRHGVOIXFORFS-UIZPMEKBSA-N	330.432	2.351	50	40	EEGB	
Cn1c(CC(=O)NNC(=O)c2ccc3c(c2)CCC3)nc2ccccc21	26538850	BBVKRFMIQMPVCC-UHFFFAOYSA-N	348.406	2.066	50	40	EEGB	
O=C(N/N=C/c1ccco1)C(=O)Nc1ccccc1Br	4698931	SPWRGPZNUMCVAC-OVCLIPMQSA-N	336.145	2.131	50	40	EEGB	
NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	73640264	ATDQZHNIHMWOLL-UHFFFAOYSA-N	326.106	2.221	50	40	EEGB	
CCO[C@H](C)n1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253397992	GJTKMVWVUUNZDC-MEBBXXQBSA-N	328.372	2.253	50	40	EEGB	
COc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OC	59334378	VDQHPXYNUCELPY-YHYXMXQVSA-N	339.189	2.461	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2cc(OC)cc(OC)c2)cc1	6230487	OUAWUBQFSNFJRD-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc([N+](=O)[O-])c1	408978007	XOXCWLRDKPFBID-RQZCQDPDSA-N	327.296	2.016	50	40	EEGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2OC)c1	6230137	VBNRXWCTUJROPR-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN1CCCC1	27850	KJKZDNUHQQXSRV-CXUHLZMHSA-N	340.221	2.004	50	40	EEGB	
CCC/C(=N\NC(=O)CN1CCOCC1)c1ccc(OCC)cc1	33958420	AMXSPXWTXRFULL-HTXNQAPBSA-N	333.432	2.038	50	40	EEGB	
Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1N(CCCl)CCCl	2004927	FAFSIGAQUUPWEZ-NSHDSACASA-N	347.242	2.482	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@H]4[C@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1	100717027	NWTOYPBJWGMJPX-BWBIBXAZSA-N	348.034	2.010	50	40	EEGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1	3301048	SCUSZTZOJXOJFZ-NRUITVPNSA-N	348.786	2.085	50	40	EEGB	
CC(C)CC(=O)NNC(=O)c1ccc(OCc2ccncc2)cc1	29763417	RDDXFISFJOKVSQ-UHFFFAOYSA-N	327.384	2.468	50	40	EEGB	
COC(=O)N/N=C/c1ccc(OCCBr)c(OC)c1	4525960	DPCYIZZXXMISHM-RIYZIHGNSA-N	331.166	2.159	50	40	EEGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc2ccccc12	5384488	DVYIMSPRNXGWCD-FYJGNVAPSA-N	341.411	2.221	50	40	EEGB	
CCn1c(NNC(=O)Cc2ccsc2)nc2ccccc2c1=O	32819124	AHFOMSHJHXJATE-UHFFFAOYSA-N	328.397	2.164	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(O)c1	3099253	ICYPOZAJUZQRGZ-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
O=C(CN1CSCC1=O)NN=C(c1ccccc1)c1ccccc1	10129832	JDHDNXCRIPUAHH-UHFFFAOYSA-N	339.420	2.088	50	40	EEGB	
O=C(COc1ccccc1)N/N=C1\C(=O)Nc2ccc(Cl)cc21	6061691	ZCEHJAKIVVKOGW-UHFFFAOYSA-N	329.743	2.191	50	40	EEGB	
O=C(N/N=C\c1c(F)cccc1Cl)C(=O)N1CCCCCC1	15986107	XNAKUXDXBISHQG-ZDLGFXPLSA-N	325.771	2.332	50	40	EEGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](C)C(C#N)=C(SCC(N)=O)N1	506945	FAZAVMKXPHAEQT-SNVBAGLBSA-N	342.424	2.092	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1	588208	FOSZNZLWFFUHFV-UHFFFAOYSA-N	329.331	2.249	50	40	EEGB	
Cn1/c(=N\NC(=O)c2ccc([S@@](C)=O)cc2)sc2ccccc21	103717497	MTCBSWVANCDVRJ-NGIFANIDSA-N	345.449	2.223	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c1	30774333	GZGCISBTTRQNHP-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)CCc2ccncc2)cc1	40538661	MHFAVGCLKOKABT-UHFFFAOYSA-N	327.384	2.263	50	40	EEGB	
Cc1cc2ncn(CCC(=O)NNC(=O)c3ccco3)c2cc1C	418177	HHRVEOHGMDKSRZ-UHFFFAOYSA-N	326.356	2.097	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	7869248	XATSCFKUOHXARV-KGENOOAVSA-N	339.395	2.242	50	40	EEGB	
O=S1(=O)CC[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21	3913897	XZWWZQICRWKCLV-ULAWRXDQSA-N	332.057	2.111	50	40	EEGB	
COc1ccc(C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)cc1	4815383	NBKPTPPATTYBRZ-KGENOOAVSA-N	339.395	2.160	50	40	EEGB	
CN(NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1	8358028	RMIKIHFUTWNTGU-UHFFFAOYSA-N	337.379	2.230	50	40	EEGB	
CCOc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1O	409331903	DWHUVKZGOOLZMH-UHFFFAOYSA-N	344.396	2.379	50	40	EEGB	
NNC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1	225315535	YYQOAAHCOKIIJI-UHFFFAOYSA-N	348.200	2.234	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(C)cc(C)c2)c1	496811	QLOBLGZYZDQRJK-UHFFFAOYSA-N	328.368	2.395	50	40	EEGB	
Cc1c(/C=C(\C#N)C(=O)OC(C)C)c(=O)n(-c2ccccc2)n1C	28003666	WYTYCUKSRCVYGO-GXDHUFHOSA-N	325.368	2.343	50	40	EEGB	
COc1ccc(CC(=O)N/N=C(\C)c2cc(O)ccc2O)cc1OC	4616167	CGQBCGMCNKFNNG-YBFXNURJSA-N	344.367	2.198	50	40	EEGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1Cl	408843828	HDZCAEHCAURLFC-LSCVHKIXSA-N	348.742	2.273	50	40	EEGB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)CCCl)cc21	408531781	LQCZMXBXPWACFY-UHFFFAOYSA-N	340.767	2.318	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)c2ccc(OC)cc2O)cc1C	12674201	XHUUJWUBJQPGLY-UHFFFAOYSA-N	334.397	2.408	50	40	EEGB	
COc1ccccc1C(=O)NNC(=O)[C@H](C)Oc1ccc(C)cc1	12292749	YRWLIPYVKOTPEB-ZDUSSCGKSA-N	328.368	2.232	50	40	EEGB	
C/C(=N\NC(=O)CN1CCCc2ccccc21)c1cc(O)ccc1O	102976555	CKFVBONVMZSBTR-DEDYPNTBSA-N	339.395	2.391	50	40	EEGB	
CCc1noc(C)c1C(=O)NNC(=O)c1ccc(N(CC)CC)cc1	8137985	CFDIHHTUYSPMSS-UHFFFAOYSA-N	344.415	2.466	50	40	EEGB	
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCl	12504836	MRQGVQKCKUFPOP-UHFFFAOYSA-N	333.613	2.393	50	40	EEGB	in-vitro
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1	59459702	CZSJXHPVYYKEQS-XMHGGMMESA-N	329.400	2.104	50	40	EEGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccco3)CC2=O)cc1	409168875	NJWQKHISBWORGX-AXLWCPOOSA-N	325.368	2.345	50	40	EEGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	20018611	SPAIGCYAYRPRTJ-UCEJQADZSA-N	333.344	2.282	50	40	EEGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c1	59459701	BDUFBLGSSDMUBE-XMHGGMMESA-N	329.400	2.104	50	40	EEGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2o1	6310407	ZEOJYWAGUOVHJL-INIZCTEOSA-N	338.319	2.034	50	40	EEGB	
COC(=O)c1ccc(CNC(=O)c2c(C)nn(CCCl)c2C)cc1	71905587	SESKWXMMXAEUKO-UHFFFAOYSA-N	349.818	2.455	50	40	EEGB	
CSC[C@@](C)(O)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	195545398	XNRQWJXGVUBBRU-XRRVDJEJSA-N	336.295	2.170	50	40	EEGB	
O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccncc1	12747005	DGUROIBVRGUREP-GKUGFIGPSA-N	333.819	2.420	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2c(C)nc3ccccn23)c1OC	6210459	XLDRKJISRRCYPS-YBFXNURJSA-N	338.367	2.424	50	40	EEGB	
O=C(COc1ccccc1Cl)N/N=C\c1cccc([N+](=O)[O-])c1O	30728530	XRFGUDYCJHEJLX-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C	2697915	JRQSBPFQAPOVTN-INIZCTEOSA-N	328.368	2.266	50	40	EEGB	
CCOc1c(Cl)cc(C(=O)NNC(=O)c2cccnc2)cc1OC	12871082	VBIBTNWWMPHUGF-UHFFFAOYSA-N	349.774	2.217	50	40	EEGB	
O=C(NNC(=O)c1csc(-c2ccsc2)n1)c1ccncc1	12883863	SJXLXNIEFKIXEX-UHFFFAOYSA-N	330.394	2.341	50	40	EEGB	
CCOc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1O	3527052	KDPCMEOOYQXIIR-GIJQJNRQSA-N	328.324	2.284	50	40	EEGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1cccc(O)c1	13081478	PCWJLOQXAKOMHP-UHFFFAOYSA-N	349.184	2.158	50	40	EEGB	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1cccs1	14112218	KPXYBBWWUIZAFS-UHFFFAOYSA-N	342.380	2.017	50	40	EEGB	
COc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	5818173	COKIOMKJDGDADF-OAHLLOKOSA-N	326.356	2.262	50	40	EEGB	
CCOc1cc2c(cc1/C=N/NC(=O)c1ccccc1O)OCO2	409095444	COJAJQQDFLCKIB-GIJQJNRQSA-N	328.324	2.284	50	40	EEGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1	408732668	XEEAJERZZKTUDT-GZTJUZNOSA-N	345.428	2.360	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc(O)cc1O)C[C@H]2O	253498583	SLJZDUYMZZFUJQ-OLMNPRSZSA-N	332.400	2.125	50	40	EEGB	
O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1cccc([N+](=O)[O-])c1	252509088	YCFFYBWBYPPSOT-REZTVBANSA-N	341.249	2.118	50	40	EEGB	
Cc1cc(C(=O)N/N=C\c2cc(Br)cc(C)c2O)[nH]n1	4950196	PCYWPTDCNGULEE-UUASQNMZSA-N	337.177	2.259	50	40	EEGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=O)cc2)c1	566185	UKCPFZJPTQJFGC-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(Cl)o1	26759262	XPHHHVOCFWOVJK-UHFFFAOYSA-N	333.775	2.147	50	40	EEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1sccc1C	59433817	JGXJEUUDFWPJDP-RQZCQDPDSA-N	331.397	2.462	50	40	EEGB	
CCOc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1	12921011	VJFOWUZKKQYWDO-UHFFFAOYSA-N	343.383	2.101	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC	252140	FTWDCPYERZUKFA-KEBDBYFISA-N	331.347	2.405	50	40	EEGB	
CO[C@@H](C)C(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061000327	HDMAWNXRCIHYGB-VHSXEESVSA-N	348.311	2.015	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])o1	5396543	VYXYIKGCFFTKIH-ZDUSSCGKSA-N	328.328	2.212	50	40	EEGB	
CCCCn1c(CCl)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	3888475	BZKGONQOWRKCEO-UHFFFAOYSA-N	346.818	2.474	50	40	EEGB	
O=C(CCl)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1	2650123	HRRSCVLZDSHPKR-UHFFFAOYSA-N	343.836	2.115	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)Cc2cccc(OC)c2)cc1	12921381	GEPONGYKYFKZPI-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1C	70693481	PWKAUONYWLNMNP-UHFFFAOYSA-N	343.358	2.151	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1	408972430	BSEHLOQLEPHCSQ-AGKWGAAGSA-N	335.407	2.461	50	40	EEGB	
C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)C(C)(C)C	409113900	GGAIXMMJYFMFNT-GZTJUZNOSA-N	343.424	2.130	50	40	EEGB	
C[C@H](O)c1ncc(/C=C(\C#N)C(=O)NCCc2ccccc2)s1	585079579	DXIWWSPQZGVFQI-IGVUGNCQSA-N	327.409	2.462	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1	3088303	CDLPQVLSRYPPKZ-RGVLZGJSSA-N	345.786	2.115	50	40	EEGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1c(Cl)cccc1Cl	7782381	CLJHVNQSJZDBLG-QGMBQPNBSA-N	340.166	2.353	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	53943849	XARJZPRROODHKA-YVLHZVERSA-N	329.312	2.463	50	40	EEGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12	57466548	ZVACIEHIUBYUHX-JAIQZWGSSA-N	327.384	2.158	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)c1	408972238	OCJCTCARHJKJKB-VXLYETTFSA-N	339.351	2.090	50	40	EEGB	
N#C/C(=C\N1CCN(c2ccccc2)CC1)C(=O)NCc1ccco1	7572365	OUQDSDHMPSJAHR-FOCLMDBBSA-N	336.395	2.125	50	40	EEGB	
CCOC(=O)/C(C#N)=C/N1CCN(C(=O)CCCl)c2ccccc21	31659710	RVHCRFPJSKYOMB-OUKQBFOZSA-N	347.802	2.439	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1OC	225310657	MTPUERXEDAROCY-UHFFFAOYSA-N	338.367	2.160	50	40	EEGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1	176922	BIIGOPLITYFHDL-UHFFFAOYSA-N	327.384	2.219	50	40	EEGB	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1	3553290	CWCYWDYPBXGPEZ-UHFFFAOYSA-N	329.743	2.052	50	40	EEGB	
COc1cc([C@H]2c3cc(O)c(O)cc3C=C(C=O)[C@@H]2CO)ccc1O	49017435	PNRPRUVCFFHMMC-LIRRHRJNSA-N	342.347	2.148	50	40	EEGB	biogenic
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cn1cnc2ccccc21	8719882	MCQNMFRMCUDXEV-UHFFFAOYSA-N	342.786	2.080	50	40	EEGB	
O=C(Cc1ccccc1)N/N=C1/CCS(=O)(=O)c2ccc(F)cc21	33044000	CWJIIOJJHDFRSC-CYVLTUHYSA-N	346.383	2.066	50	40	EEGB	
Cc1nn(C)c(C)c1CCC(=O)N/N=c1/sc2ccccc2n1C	104833477	SOABBQLGFCQEGQ-HTXNQAPBSA-N	343.456	2.155	50	40	EEGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccn1	18323714	BMIZUEFTIASSIG-UDWIEESQSA-N	326.356	2.225	50	40	EEGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccoc2C)cc1	5823763	WLAWCSXLDKGBGE-UHFFFAOYSA-N	330.340	2.021	50	40	EEGB	
C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1ccccc1O	18093851	FFJDOUQSHKLCNM-CIAFOILYSA-N	336.351	2.398	50	40	EEGB	
COc1cc(Br)c(/C=C(/C#N)S(C)(=O)=O)cc1O	96765748	DMKIUJDJEOFJDN-BAQGIRSFSA-N	332.175	2.072	50	40	EEGB	
COc1cc(C)ccc1C(=O)NNC(=S)NCc1ccccc1	408587393	UQFOMNRYGGOPDP-UHFFFAOYSA-N	329.425	2.313	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	252747	UOHRTPZIACKLAG-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1	8733096	GMJKDBSZCAOEJQ-LLVKDONJSA-N	331.185	2.444	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(F)cc1	3340210	JJPGLGPFGMLHOY-DEDYPNTBSA-N	327.359	2.426	50	40	EEGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccccc1	5704516	OTVGVPGRZRYYFL-UHFFFAOYSA-N	333.185	2.453	50	40	EEGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(N)=S	408541466	BDFRQWMVPMRJQS-CLTKARDFSA-N	330.150	2.190	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	3008858	RKQBDWMPFQPYCP-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
CCOC(=O)[C@@H]1[C@H]2NC(=O)N[C@@]1(CCl)Oc1ccc(Cl)cc12	100267423	RWCHFTMXSRUXEQ-MJVIPROJSA-N	345.182	2.201	50	40	EEGB	
COc1cc(C(=O)N/N=C(/C)c2cccnc2)cc(OC)c1OC	348088	PYOPZQVCMFRMIY-ODLFYWEKSA-N	329.356	2.261	50	40	EEGB	
O=C(N/N=C/c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccco1	6883768	WFUCZIKQSBMWOH-OQLLNIDSSA-N	335.341	2.036	50	40	EEGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(C(N)=O)cc2)o1	100634286	QIZYCKIYBNZTOH-NTUHNPAUSA-N	329.319	2.212	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1	5937783	QURIOIRQMZCTOO-UHFFFAOYSA-N	346.408	2.329	50	40	EEGB	
O=C(/C=C/c1cnccn1)NNC(=O)c1cc2c(s1)CCCCC2	84613399	DPRRIKRKDSJPDK-VOTSOKGWSA-N	342.424	2.281	50	40	EEGB	
O=C(NN[C@@H]1OC(=O)c2c#cccc21)c1ccc(Br)cc1	102813345	KITNSHZLZUAFOK-CQSZACIVSA-N	345.152	2.153	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2	2196924	YUADGWWIKXAAQK-INIZCTEOSA-N	337.379	2.403	50	40	EEGB	
O=C(CNc1ccc(Cl)cc1)NNC(=S)NCc1ccccc1	5027121	KSAAXJRGUIEHCC-UHFFFAOYSA-N	348.859	2.447	50	40	EEGB	
C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	1950165	RHENYHSBEAKZLN-GNUZOCDUSA-N	338.411	2.021	50	40	EEGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(N)=O)c2)cc1	4503267	KHNMKKWQJSQLMH-NTEUORMPSA-N	342.376	2.155	50	40	EEGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccc(N(C)C)cc1)C(=O)N2	6646076	MPKHYJKCWDSXDS-UHFFFAOYSA-N	336.395	2.456	50	40	EEGB	
COC(=O)NNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl	7405548	ONORZEUCELMPDS-UHFFFAOYSA-N	327.189	2.160	50	40	EEGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(Cl)c1	7795434	IACQTKDECYINIC-UHFFFAOYSA-N	332.743	2.186	50	40	EEGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1	408999151	SSUVIKPLDDVLQB-UHFFFAOYSA-N	329.356	2.339	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	1100340	ADHGPRGSJDLRKV-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
Cc1n[nH]c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	340083	UMRRWWXQAVEPQF-GFCCVEGCSA-N	331.719	2.498	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)NCCc1c[nH]c2ccccc12	45128510	KNMYJLWOVXZUCH-UHFFFAOYSA-N	326.356	2.256	50	40	EEGB	
C[C@@H](Cl)C(=O)NCCNC(=O)N1CCC[C@@H]1c1cccs1	32815418	ATHQHCPTRDCZCC-GHMZBOCLSA-N	329.853	2.338	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	67715	HPHZXURTLMZHAJ-INIZCTEOSA-N	344.367	2.349	50	40	EEGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccccc2C)[C@@H](C(=O)O)C1	2797165	FLRVZCCVABWZMU-GJZGRUSLSA-N	330.384	2.203	50	40	EEGB	
CN(C)/C=N/NC(=O)CSc1ncc(C(F)(F)F)cc1Cl	3048393	VOUOMHLZYVKJAU-UBKPWBPPSA-N	340.758	2.467	50	40	EEGB	
O=C(NNC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccccc1	57180054	KHLWZEBBOCBKLK-UHFFFAOYSA-N	342.370	2.335	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1	582103	FPNFHUGEEYDDIY-YBFXNURJSA-N	339.351	2.180	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)cc1OC	409379594	YDRTUPDBJNZECW-DEDYPNTBSA-N	333.432	2.466	50	40	EEGB	
CC1(C)Oc2ccc(C(=O)N/N=C/c3ccccc3O)cc2NC1=O	35291262	WYSZQCSTQVZNBI-VXLYETTFSA-N	339.351	2.266	50	40	EEGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2ccccc2C)cc1	1781555	YSMJIKOCCHCJKA-FMIVXFBMSA-N	340.379	2.243	50	40	EEGB	biogenic
Cc1cc2c(c(=O)n1C)[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	20086730	UCDGSARGMCVTNB-KRWDZBQOSA-N	344.374	2.460	50	40	EEGB	
COc1cccc(COc2cccc(/C=N/NC(=O)C(C)(C)O)c2)c1	32578413	QVMATRRZCINBFI-UDWIEESQSA-N	342.395	2.495	50	40	EEGB	
COc1ncccc1C(=O)NNC(=S)Nc1c(C)cccc1C	32759148	XQUGEPPVOZTGAV-UHFFFAOYSA-N	330.413	2.338	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(F)cc1	160195	ZJEAORVDJQJSRH-ZDUSSCGKSA-N	344.371	2.384	50	40	EEGB	
CCOc1ccc(/C=N/NC(C)=O)cc1I	563902	LPGHWEJCMQHXDA-NTUHNPAUSA-N	332.141	2.160	50	40	EEGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1	59501684	ZRLKFSXHJGZBDQ-CPNJWEJPSA-N	329.400	2.150	50	40	EEGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)N/N=C/c2cccnc2)cc1	2282812	RSSLVFBGUPPQFT-WSDLNYQXSA-N	338.411	2.259	50	40	EEGB	
Cn1c(O)c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21	6557223	DQIWVMUNSMMJRE-KEBDBYFISA-N	339.326	2.147	50	40	EEGB	
NNC(=O)CN1C(O)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1	8156577	NOJNOYVWWJHQSV-HNNXBMFYSA-N	330.775	2.280	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN2Cc3ccccc3C2)c1	409205776	FOPPQUXLJRVPKC-KEBDBYFISA-N	339.395	2.170	50	40	EEGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccncc1	252025	YVWLBCCABOCFSB-GIJQJNRQSA-N	333.189	2.406	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1	58817	TYNKKZMAXSKJRD-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
CCc1c(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)csc1C	2765079	ZJXPRCJMWZNCSR-VXGBXAGGSA-N	336.413	2.047	50	40	EEGB	
Cc1ncc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)s1	63501621	VLWYNGQURHEPML-UHFFFAOYSA-N	328.353	2.181	50	40	EEGB	
Cc1cccc(OCC(=O)N[C@@H](C)C(=O)N/N=C/c2cccs2)c1	13896803	POOADAOAOOAWBN-SGPNVBEDSA-N	345.424	2.090	50	40	EEGB	
CCOP(=O)(CC(=O)N/N=C/c1ccc(O)c(OC)c1)OCC	5718298	BKNNQXVSXUQWPK-OQLLNIDSSA-N	344.304	2.117	50	40	EEGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1	3572447	BRZOBDMTIWREBO-VXLYETTFSA-N	328.372	2.273	50	40	EEGB	
Cn1cccc1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1	32010853	UEZUACNRONEXDD-ISRVBRPNSA-N	335.363	2.468	50	40	EEGB	
C=CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21	96817294	OMPIACCOHLKUEW-ZBJSNUHESA-N	349.390	2.427	50	40	EEGB	
Cc1oc(/C=N/NC(=O)CN2CCCCC2)cc1Br	566697	NBTZOQYAOVBBFL-OVCLIPMQSA-N	328.210	2.287	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	6170601	HXRIZHJILPEJHZ-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)c(O)c1	223220	NAGJBCVWQRNLDO-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
N#CC(C#N)=C/C(C#N)=C(/N)N1CCN(c2ccccc2Cl)CC1	100424086	ZTMLWPJKBUISPU-SAPNQHFASA-N	338.802	2.129	50	40	EEGB	
CCCC(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N	101359232	PYZYRXVBHAVANI-AWEZNQCLSA-N	327.215	2.430	50	40	EEGB	
COc1ccccc1NC(=O)NNS(=O)(=O)c1ccc(C)cc1	380145	MULXOFKMEJLLEY-UHFFFAOYSA-N	335.385	2.019	50	40	EEGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/n2ccc(=O)[nH]c2=S)cc1	6487272	SIYZOTDATKPZIT-FMIVXFBMSA-N	333.394	2.010	50	40	EEGB	
O=C(NNC(=S)NCCc1ccc(Cl)cc1)c1ccncc1	2562068	XFZFURCBQTUFKX-UHFFFAOYSA-N	334.832	2.087	50	40	EEGB	
CCOc1cccc(/C=N/NC(=O)COc2ccccc2F)c1O	3438138	YYSOQLYOEREHEE-VXLYETTFSA-N	332.331	2.459	50	40	EEGB	
COc1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C)c1	3553409	AEJDFHNOYHBJSI-UHFFFAOYSA-N	328.368	2.152	50	40	EEGB	
C[C@H](Sc1ncccn1)C(=O)NNC(=O)c1cccc(Cl)c1	8429507	LBZDSOOVKNUFHX-VIFPVBQESA-N	336.804	2.072	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	801994	ZGHHJDZWNIPASA-UHFFFAOYSA-N	343.339	2.052	50	40	EEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Cl)c1O	814179	SCCHTXVYZMHQMO-GFCCVEGCSA-N	332.747	2.304	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)C(=O)O	39557436	ZPCGVXMETBBCAM-VURRPDKYSA-N	330.315	2.442	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(O)c1	20086059	ICOAFKMWBMEKMH-MRXNPFEDSA-N	345.358	2.462	50	40	EEGB	
COc1ccc(/C=C(/C#N)C(N)=S)cc1I	408544282	VAJLHNASFKVEQH-YWEYNIOJSA-N	344.177	2.493	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1C	13923114	JJLAHFOVLXNKJF-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
C#CCOc1c(Br)cc(/C=N/NC(C)=O)cc1OCC	4545357	DIFCWMYZJIIGOQ-CXUHLZMHSA-N	339.189	2.330	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1O	36013199	RSLRSUVTYUSPRU-CAOOACKPSA-N	333.275	2.212	50	40	EEGB	
CC(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1	225500369	NCGPSTGOGQQUAZ-UHFFFAOYSA-N	333.413	2.214	50	40	EEGB	
O=C(COc1ccccc1)NNC(=O)c1cc2ccccc2cc1O	5484674	BLYJOHZNATYOHG-UHFFFAOYSA-N	336.347	2.385	50	40	EEGB	
O=C(CN1CCc2sccc2C1)NNC(=O)c1cccc(Cl)c1	78396401	CIMZHGFQFVBCHH-UHFFFAOYSA-N	349.843	2.221	50	40	EEGB	
O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccncc1	102674667	DGUROIBVRGUREP-MQAIEQDTSA-N	333.819	2.420	50	40	EEGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cnccn1	21285336	HWKBOFJZEWDOOY-UHFFFAOYSA-N	327.222	2.161	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1	36223301	SZCXODOWBCGASI-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
CSC[C@](C)(O)CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	195545401	XNRQWJXGVUBBRU-YRRQLQLVSA-N	336.295	2.170	50	40	EEGB	
CC(/C=C/c1ccco1)=N/NC(=O)Cn1nnc(-c2ccccc2)n1	28478	YUCILOGXGSQLPR-WRJNCIKXSA-N	336.355	2.139	50	40	EEGB	
Cc1ncsc1C(=O)NNC(=O)c1cccnc1SC(F)F	104637367	HXOQMXMHNOSEBP-UHFFFAOYSA-N	344.368	2.236	50	40	EEGB	
O=C(COc1ccccc1)NNC1=C(C(=O)C(F)(F)F)CCC1	4834839	GHRNCHQAACREPU-UHFFFAOYSA-N	328.290	2.256	50	40	EEGB	
CC(C)c1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21	12635710	OHGLKXZMGPOLCH-UHFFFAOYSA-N	336.395	2.386	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	16226339	WOEYVCBQIMVGNC-UHFFFAOYSA-N	329.400	2.068	50	40	EEGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccccc1)C(F)(F)F	3103181	IQJXMJFOIJFJBK-LBPRGKRZSA-N	338.713	2.275	50	40	EEGB	
CSC1=N[C@](NC(=O)c2ccc(C)cc2)(C(Cl)Cl)C(=O)N1	101426348	LDOKECDTMHWZEJ-CYBMUJFWSA-N	346.239	2.074	50	40	EEGB	
O=S1(=O)[C@H]2CC[C@H](Br)[C@H]1CC[C@H]2Br	104214611	RZDTXAKCTKLMRB-KVFPUHGPSA-N	332.057	2.253	50	40	EEGB	
O=C(NNC(=O)C1CC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	3331996	IBBFLTXWBCQALY-UHFFFAOYSA-N	347.378	2.105	50	40	EEGB	
O=C1NC(=S)N=C(O)/C1=C\c1ccc2c(c1)CCN2CCCCl	17250221	FBVHDEZSPHJPEE-UHFFFAOYSA-N	349.843	2.433	50	40	EEGB	
C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)Cc1ccccc1	101532120	WBRIVNVZQZULLM-CJLVFECKSA-N	337.423	2.470	50	40	EEGB	
CCOC(=O)/C(C#N)=C(/SC)[C@@H]1CCC/C1=C(/C#N)C(=O)OC	100993100	IILSDBJWSOJFDB-GQNWZYKASA-N	334.397	2.483	50	40	EEGB	
O=C(/C=C/c1ccccc1)NNC(=O)CCC(=O)Nc1ccccc1	4508652	NGNXQLBNWKTVEX-VAWYXSNFSA-N	337.379	2.266	50	40	EEGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c(C)c1	408966046	YTVDHOUZZDTZLZ-JMIUGGIZSA-N	340.383	2.323	50	40	EEGB	
O=C(Cc1csc(N2CCOCC2)n1)N/N=C/C1CCCCC1	7280091	XXHHWUCXJVRSAU-GZTJUZNOSA-N	336.461	2.205	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccccc1F	408804019	BYWVCNHNTGTYID-UKTHLTGXSA-N	339.326	2.235	50	40	EEGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2onc(Cl)c2c1	583651001	DYTVARGRVLNAJI-UHFFFAOYSA-N	345.808	2.227	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1	288889	PZVMYJDAKRXQEX-HNNXBMFYSA-N	348.314	2.422	50	40	EEGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@H](O)c1ccccc1	55080778	DWDSLRUKMLMVLW-LJQANCHMSA-N	337.423	2.488	50	40	EEGB	
Cc1ccc(CSc2nnc(SCC(=O)NN)s2)cc1	36724731	TTWNZFITUVDXDU-UHFFFAOYSA-N	326.472	2.221	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)CCc2ccccc2OC)cc1	2660972	MDXGHJCEXLHHPB-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
N#CC(C(=O)COC(=O)COc1ccccc1)=C1Nc2ccccc2N1	2658696	PQCABSKKKIOWLD-UHFFFAOYSA-N	349.346	2.450	50	40	EEGB	
O=C(/C=C/c1cccc(Br)c1)NNC(=O)c1ccncc1	15273252	AJAQJKWJHFLMRM-SNAWJCMRSA-N	346.184	2.319	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)c1	408973716	PRKPSDKAOWADSS-IFRROFPPSA-N	341.396	2.354	50	40	EEGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)N(C)C)c1OC	408856957	LXHFEMCFZNJHCU-YHYXMXQVSA-N	339.189	2.461	50	40	EEGB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1Cl	4602063	XSTMAXIHNUBWTL-UWVGGRQHSA-N	342.631	2.128	50	40	EEGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1	8086804	BLDMYBDYIUIKIK-UHFFFAOYSA-N	345.443	2.148	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OC	408847414	VGERNJCCYNHORJ-BJMVGYQFSA-N	339.189	2.461	50	40	EEGB	
C#CCOc1cccc(/C=N/NC(=O)CNc2ccc(F)cc2)c1	409353623	OMQVFCUENGFNFD-CIAFOILYSA-N	325.343	2.400	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	354663	ATRNNLCPFHMCAF-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccccc1F	16248319	CQHYTTJMXUJBPP-UHFFFAOYSA-N	341.408	2.028	50	40	EEGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc2c(c1)OCO2	59503462	HKKQQOHFRXZYOX-UFFVCSGVSA-N	349.346	2.493	50	40	EEGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F	15423110	GMILJAFALNMYFM-SECBINFHSA-N	331.185	2.444	50	40	EEGB	
O=C(CBr)OC[C@H](Br)CBr	2045595	NUHNFFMVULWCIP-SCSAIBSYSA-N	338.821	2.083	50	40	EEGB	
O=C(CCCl)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1	4160894	DNZSALJGCKHAON-UHFFFAOYSA-N	342.804	2.326	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1C	59720893	WDAZEKPUBZKENO-DJKKODMXSA-N	342.355	2.479	50	40	EEGB	
N#CC1=C(N)NC(=S)[C@@H](C(=O)Nc2ccccc2)C12CCCC2	102413738	BGPSPROJEZWSDY-CYBMUJFWSA-N	326.425	2.426	50	40	EEGB	
CCCCCNC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	9314919	ZLQCZZUWSJTRLV-NSHDSACASA-N	334.445	2.057	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C/c1cccc(Oc2ccccc2)c1	20248349	TWWZMCICSIEJRP-XSFVSMFZSA-N	339.395	2.261	50	40	EEGB	
COC(=O)c1ccc(COc2ccc(/C=N\NC(N)=O)cc2)cc1	31875848	PESLSPBMXVQGFX-GRSHGNNSSA-N	327.340	2.054	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	5684543	MPPLTFXQRUFSDD-CAOOACKPSA-N	327.296	2.396	50	40	EEGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])o1	31915972	OBPNERGVTZAZFA-UHFFFAOYSA-N	333.344	2.165	50	40	EEGB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl	3886034	PNPNDBGKNPFPKC-UHFFFAOYSA-N	346.836	2.047	50	40	EEGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CCCO1	9995939	YTPVVFOGMZPZBF-LBPRGKRZSA-N	331.397	2.059	50	40	EEGB	
O=C(O)[C@@H]1C=C(OC(F)(F)F)C=C[C@H]1I	95611629	JKBGIHVWNUPMNQ-PHDIDXHHSA-N	334.031	2.481	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	59514	KGELBFAPFHWBJA-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
N#CSCCCNS(=O)(=O)c1ccc(Br)cc1	585115209	REUWTUCXJXTUON-UHFFFAOYSA-N	335.248	2.332	50	40	EEGB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCC1	342770	QZRAHOURMJMRRE-UHFFFAOYSA-N	343.836	2.055	50	40	EEGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1F	59366657	IZALZIXRMWHWOO-KEBDBYFISA-N	333.750	2.246	50	40	EEGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2	6499282	HLCSEJKHTHKPSZ-HZMBPMFUSA-N	328.372	2.041	50	40	EEGB	
NNC(=O)c1ccc2oc(-c3cncc(Br)c3)nc2c1	216795244	BFVXZRQIWYEYOQ-UHFFFAOYSA-N	333.145	2.256	50	40	EEGB	
CC(=O)N1CCc2cc(C(=O)CI)ccc21	585662297	SFORCPJPJWTMEY-UHFFFAOYSA-N	329.137	2.213	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	353819	VQJUFVWMFWXGNF-OVCLIPMQSA-N	335.341	2.194	50	40	EEGB	
O=C(N/N=C/c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1	4865253	DYTRTNBBQLHLDT-GIJQJNRQSA-N	326.743	2.340	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1Cl	58884811	QOPCGFSDICRTSV-LZYBPNLTSA-N	337.788	2.499	50	40	EEGB	
N#C/C(=C1/CCCN1)S(=O)(=O)c1ccc(Br)cc1F	98212084	ACNOLILFDVDSDK-ZRDIBKRKSA-N	345.193	2.480	50	40	EEGB	
CC(=O)NNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1	9500198	JNRMPZGPXBLKDM-UHFFFAOYSA-N	339.804	2.085	50	40	EEGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	32119707	MCJGXWJLAODNDD-OAHLLOKOSA-N	332.331	2.097	50	40	EEGB	
O=C(CSc1ccccn1)N/N=C/c1ccn(CC(F)(F)F)n1	252492974	MYQDWKMKZBXUIH-CNHKJKLMSA-N	343.334	2.083	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1O	30822021	RSLRSUVTYUSPRU-IUXPMGMMSA-N	333.275	2.212	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	3068643	IXQWVXSWRLXSMZ-CXUHLZMHSA-N	333.300	2.116	50	40	EEGB	
CCOP(=O)(OCC)[C@H]1C(=O)NC(N)=C(C#N)[C@H]1c1ccccc1	15082375	ZLDUYUVUUQIDNA-ZIAGYGMSSA-N	349.327	2.229	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cn(CCC(N)=O)c3ccccc23)o1	583090	JFIMIDAQSVKNLB-KEBDBYFISA-N	338.367	2.182	50	40	EEGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)c1	8167667	XTAZYCZHEROKFO-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(C(=O)O)cc1	6315409	PAOKRMPNYMUUIF-VXLYETTFSA-N	336.351	2.193	50	40	EEGB	
O=C(Cc1cccs1)N/N=C/c1ccc(N2CCOCC2)cc1	8446641	JPNOOLYLMXMCCB-QGOAFFKASA-N	329.425	2.278	50	40	EEGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccc(C)c2)[C@H](C(=O)O)C1	2797250	FCQUMWILAZJEEA-HUUCEWRRSA-N	330.384	2.203	50	40	EEGB	
O=C(NNC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccccc1O	104211767	IOFFSQNKXPRRLR-UHFFFAOYSA-N	342.738	2.156	50	40	EEGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	59133242	FCAHAELUAGEYCC-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	5526434	ZTERCZZPSQUVOW-LICLKQGHSA-N	327.296	2.145	50	40	EEGB	
O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1ccc(Cl)cc1	7387991	GYSDJSVDBLAWIC-UHFFFAOYSA-N	342.779	2.031	50	40	EEGB	
COCCNC(=O)/C(C#N)=C/c1ccc2c(c1)OCC(C)(C)CO2	225369662	XXTLGALWFXUHIB-RIYZIHGNSA-N	330.384	2.154	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	3057685	IWMLVYJZEUSCOE-KGENOOAVSA-N	337.379	2.018	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1	8124003	SCNFSYOSOJUPAT-XSFVSMFZSA-N	339.395	2.296	50	40	EEGB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(CCCl)CCCl	1631296	IQQQFBLMJPSDLO-UHFFFAOYSA-N	336.131	2.423	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccs1	59419146	UYGAIYLTDLEJPM-AWNIVKPZSA-N	336.285	2.034	50	40	EEGB	
COc1ccc(CCC(=O)NNC(=O)c2ccc(OC)cc2)cc1	2626794	FOQMRQOLKMMXRT-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408853396	OJWKSTWKKDYZQU-CNHKJKLMSA-N	334.763	2.448	50	40	EEGB	
Cc1ccc(Cl)cc1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	217381380	HUYVQWQVQRBFAU-LLVKDONJSA-N	336.240	2.407	50	40	EEGB	
CC1(C)[C@]2(C(=O)NNc3ccc([N+](=O)[O-])cc3)CC[C@@]1(C)C(=O)O2	13142750	KZNLCPRKZFLQGR-JKSUJKDBSA-N	333.344	2.160	50	40	EEGB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)OC2=O	17465972	SGBRISRXPKHZNB-UHFFFAOYSA-N	330.227	2.297	50	40	EEGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	185778	WKZVMDVCGSULHX-REZTVBANSA-N	331.719	2.329	50	40	EEGB	
COc1cccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1	3031539	XHCYMLYJLYVKAF-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
O=C(NNCc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1	4002767	CVYMLSQXNVMWTK-UHFFFAOYSA-N	328.759	2.011	50	40	EEGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(=O)O)cc3)n2c1	32125493	XPGNMXRWINWUHK-DJKKODMXSA-N	336.351	2.413	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505519	WZEWESPKYJQUSE-KFNRRLBXSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
CCCOc1ccccc1/C=N/NC(=O)Cn1c([N+](=O)[O-])cnc1C	2192464	HTTQPCLQYUJOOQ-GIJQJNRQSA-N	345.359	2.039	50	40	EEGB	
O=C(CSCc1ccc(Cl)cc1)NNC(=O)c1ccncc1	2210120	LXVVYNZDINFGRX-UHFFFAOYSA-N	335.816	2.429	50	40	EEGB	
O=C(NNC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1	8720566	JNLXRQTYZQDHTL-UHFFFAOYSA-N	348.403	2.064	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1	409248923	GAEDOOUBVQILIX-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1	1632066	SHZUIMLRNWAUEX-SJORKVTESA-N	344.798	2.460	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1ccccc1	561505	KAGGLQJRWYBZJI-VEJKBTLKSA-N	333.731	2.432	50	40	EEGB	
C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)c(OC)c1	6441717	VADHJHLFQMVOFF-MOSHPQCFSA-N	338.363	2.480	50	40	EEGB	
CCOc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O	5466781	PTAMTCIKFKYMMF-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1	6556676	YQXBBTQQZLDNOY-UZYVYHOESA-N	337.379	2.179	50	40	EEGB	
O=C(NN=Cc1cc(O)c(O)cc1O)c1cc2ccccc2cc1O	675037523	UAXHPUSKEWEOAP-UHFFFAOYSA-N	338.319	2.426	50	40	EEGB	
O=C(CCNC(=O)c1ccccc1Cl)N/N=C\c1ccc(O)cc1	35474409	WRRYTLXWZJCHCK-JAIQZWGSSA-N	345.786	2.316	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)c(C)o1	3559924	DKFKCGIQEUQTPP-UHFFFAOYSA-N	328.368	2.225	50	40	EEGB	
Cc1ccc(NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1	12632725	UKGVXJMNSPBSIO-UHFFFAOYSA-N	349.394	2.054	50	40	EEGB	
O=C(NNC(=O)c1cccnc1Oc1ccccc1)c1ccccn1	27339709	LIECHPVDYYKPEW-UHFFFAOYSA-N	334.335	2.344	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408611045	PPTZLMHSXIQANN-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
CC(=O)NCCCc1ccc(-c2csc(NNC(C)=O)n2)cc1	8312766	WDCIFASAAYXTKL-UHFFFAOYSA-N	332.429	2.342	50	40	EEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1O	3101331	ZYUQJJUHUBEZNB-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(C)c2C)n1	8336662	XDTIPAVGAKORHT-CAOOACKPSA-N	331.445	2.291	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(CN2CCOCC2)cc1	21486315	YMGOMKFKMZEOKU-FYJGNVAPSA-N	341.386	2.422	50	40	EEGB	
COc1ccccc1OCC(=O)NNC(=O)C[C@@H](C)c1ccccc1	7779045	IGHRDAPQHGQJQO-CQSZACIVSA-N	342.395	2.415	50	40	EEGB	
O=C(CN1CCCCCC1=O)NNC(=O)c1ccc2ccccc2c1	8086833	CKZLZLICRXKEHC-UHFFFAOYSA-N	339.395	2.003	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1[N+](=O)[O-]	3024141	IRNRQVYEUPKZDM-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
O=C1C(=O)N(CCBr)c2ccc(Br)cc21	19966689	ADPFMWZEEACOFQ-UHFFFAOYSA-N	332.979	2.373	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(C)cc1	5375398	NQRMJIFBFLBJDE-QGZVFWFLSA-N	342.351	2.116	50	40	EEGB	
O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc2ccccc12	3061876	WCJPZXGXVZOTFX-LPYMAVHISA-N	332.363	2.001	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)CC(=O)NC1CCCCC1	59435567	UBOLPPMJMNGWJB-CPNJWEJPSA-N	331.416	2.374	50	40	EEGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(Br)o1	409376507	BIYSNKOZYQPYRK-LZYBPNLTSA-N	328.210	2.415	50	40	EEGB	
O=C(NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1	2630648	YFGQJRJJMSZDNG-KRWDZBQOSA-N	340.379	2.319	50	40	EEGB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)OC(CCl)CCl	255188968	MWGFCFQGWMFILO-UHFFFAOYSA-N	328.173	2.455	50	40	EEGB	
COc1ccc(NCC(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	5119786	VMRMKPQSNYOUMW-RGVLZGJSSA-N	341.367	2.029	50	40	EEGB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C\c1ccco1	17169599	CKHRCMSRBXQYTC-JMIUGGIZSA-N	329.400	2.062	50	40	EEGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nnc(C)s2)cc1	13109250	ZHTZPDIXNNTIBM-DHDCSXOGSA-N	336.442	2.488	50	40	EEGB	
NNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1Cl	4812325	LMAOVBWUPHSHBR-ZROIWOOFSA-N	333.750	2.240	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC[C@@H]1C2)N/N=C1\C[C@H]2CC[C@H]1C2	103917274	OQRHGVOIXFORFS-BMBGPACISA-N	330.432	2.351	50	40	EEGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	59515416	GHHJALVWOLKHNX-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1OC	54864088	BAZFGQWQYZKSEB-YBFXNURJSA-N	342.351	2.239	50	40	EEGB	
CCOC(=O)[C@@H](CS)NC(=O)c1ccc(CBr)cc1	68605996	OWLXLTSZZHELSG-LLVKDONJSA-N	346.246	2.173	50	40	EEGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	28496114	IDXPBIXWCASHCI-AAGJOFLKSA-N	342.395	2.462	50	40	EEGB	
N#Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c(F)c1	408966606	MLONPXSPDPOIJW-QGMBQPNBSA-N	328.259	2.075	50	40	EEGB	
CO[C@H](C)C(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061000325	HDMAWNXRCIHYGB-NXEZZACHSA-N	348.311	2.015	50	40	EEGB	
NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1ccc(Cl)cc1	10386871	MOXYPRIWLVKQKQ-HEHNFIMWSA-N	341.754	2.431	50	40	EEGB	
O=C(COc1ccccc1Br)N/N=C/c1cccnc1	55423	QQHBVSUMOOIROS-RQZCQDPDSA-N	334.173	2.373	50	40	EEGB	
CSc1ncnc2c1ncn2CCN(CCCl)CCCl	1692434	ZEDKNZKNRKIFHD-UHFFFAOYSA-N	334.276	2.328	50	40	EEGB	
Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)s1	1246965	PXTDUSQWJUUJBK-QGMBQPNBSA-N	345.359	2.212	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2cc3c(cc2OC)OCO3)cc1	409087786	JZWIUZBIZSHRHV-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1[N+](=O)[O-]	409048175	QWHPVYDZBJNCQH-RQZCQDPDSA-N	327.296	2.016	50	40	EEGB	
CN(C)c1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)cc1	4235610	FQTRQILXKOEJHW-NSHDSACASA-N	349.320	2.181	50	40	EEGB	biogenic
Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(-n2cccc2)cc1	252508933	XYBKFJJGUFANDC-YBFXNURJSA-N	325.347	2.422	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1OC	3474636	GWFXRJDIJSHVJE-YBFXNURJSA-N	342.351	2.239	50	40	EEGB	
O=C(CCc1ccccc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	5602952	WOEZEZMPKZEHJV-UHFFFAOYSA-N	338.323	2.000	50	40	EEGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1	4140078	OUTMKGPDBNTKCO-XDHOZWIPSA-N	338.367	2.498	50	40	EEGB	
O=C1N(CCCl)c2ccc(Br)cc2C12OCCO2	332445	KWNQCKDUEHGMHI-UHFFFAOYSA-N	332.581	2.234	50	40	EEGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-n2cccc2)cc1	15663116	UWMMSOTVJNVQOV-UHFFFAOYSA-N	349.346	2.281	50	40	EEGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3oc(C)cc(=O)c32)c1OC	125745	MAGLJKJAOBTKBK-AWEZNQCLSA-N	340.335	2.184	50	40	EEGB	
CCC(O)(CC)C(=O)NN(C(=O)CN1CCCC1)c1ccccc1C	1883983	RFZLNMVWEYGHFP-UHFFFAOYSA-N	347.459	2.006	50	40	EEGB	
CCOC(=O)NNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	13000319	DPRZFNYPZHXSBE-UHFFFAOYSA-N	346.714	2.298	50	40	EEGB	
Cc1ccccc1-n1c(SCC(=O)NN)nnc1-c1ccccc1	36724777	VAPTZSCZORLGDJ-UHFFFAOYSA-N	339.424	2.325	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	581229	AVSCJAPWMGMKOM-RQZCQDPDSA-N	342.311	2.023	50	40	EEGB	
O=C(NNC(=S)NC(=O)c1ccccc1)c1ccc(Cl)cc1	5681304	NZXDWZHYRMTYLS-UHFFFAOYSA-N	333.800	2.289	50	40	EEGB	
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)c1cccnc1	100527420	MICXGKAUUAVCFP-UFFVCSGVSA-N	332.310	2.494	50	40	EEGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C2CC2)cc1	358504	FDGLYVZQXPOLTL-UHFFFAOYSA-N	337.379	2.418	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(O)c1	549076	BOBBZWIZFUEHIK-AEUYPJEVSA-N	342.351	2.081	50	40	EEGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Cl)cc1	568880	KQSLMXQTQGIEHL-UHFFFAOYSA-N	349.730	2.088	50	40	EEGB	
Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccco2)c(C)c1C	7519750	DFQPSFHERJBOHM-UHFFFAOYSA-N	336.413	2.445	50	40	EEGB	
CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc(C(=O)NC)c1C	62132633	OXDCRYUJRMECCU-SSDOTTSWSA-N	332.809	2.159	50	40	EEGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccccn2)c1	409107909	YARMWJRUQBFHMG-UDWIEESQSA-N	334.335	2.334	50	40	EEGB	
O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)[C@@H]1COc2ccccc2O1	102412307	OJWCMQIGPMDWHA-AWEZNQCLSA-N	341.298	2.088	50	40	EEGB	
O=C(CSc1ncnc2nc[nH]c12)N/N=C/c1ccccc1Cl	6565654	RFRZNEWWQDOKLO-DENHBWNVSA-N	346.803	2.249	50	40	EEGB	
CCN1CCN(c2c([N+](=O)[O-])cc(C(=O)Cl)cc2[N+](=O)[O-])CC1	26508985	ZKJHUIRFYVYAJE-UHFFFAOYSA-N	342.739	2.024	50	40	EEGB	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccccc1	2316357	WYUQKKTYDXYFML-CMDGGOBGSA-N	331.422	2.097	50	40	EEGB	
NC(=O)N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	6890433	IUJPOAWIXYDKQG-XMHGGMMESA-N	328.759	2.259	50	40	EEGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)n2c1	408980268	QERJXEFCNMIZQY-UFWORHAWSA-N	336.351	2.444	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1C	409102637	DTMJXFLEPFIHCG-DJKKODMXSA-N	342.355	2.479	50	40	EEGB	
CC(C)c1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cs1	2755022	KGJWSDPDNDNTFF-NWDGAFQWSA-N	336.413	2.300	50	40	EEGB	
COc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1	290038	RGVDTDMUZWCUFS-UHFFFAOYSA-N	330.340	2.275	50	40	EEGB	
COc1ccc(OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1	511552	KMTDTVLPNWEIPX-UHFFFAOYSA-N	334.759	2.189	50	40	EEGB	
C[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1Br	4772780	BSCJTUQIAQJPDB-RTWAVKEYSA-N	337.217	2.111	50	40	EEGB	
O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccnc1	12944619	IJPWLWCMMAWWJF-UHFFFAOYSA-N	347.378	2.220	50	40	EEGB	
COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3ccncc3)cc2c1	4728933	AHCRWWIHHJOECI-RGVLZGJSSA-N	337.335	2.351	50	40	EEGB	
C[C@H](Sc1nncn1C)C(=O)C(C#N)=C1Nc2ccccc2N1	7857737	HWKVQNJJEYMYAA-VIFPVBQESA-N	326.385	2.138	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c1	409144138	IHPOCUULBFYMJU-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	409145844	QEYWBVXVUCHONS-GIJQJNRQSA-N	341.323	2.325	50	40	EEGB	
N#CC(C#N)=C(N)c1c(N)c(C(=O)c2ccccc2)n2ccccc12	257173103	CNGXNHHGRADNMG-UHFFFAOYSA-N	327.347	2.469	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)c(OC)c1	2244518	GYQHSZLWVRHDPZ-RQZCQDPDSA-N	347.396	2.163	50	40	EEGB	
Cc1cc(C(=O)CCC(=O)NNC(=O)c2ccccc2O)c(C)s1	5174061	GXQXIMPJGLVMAI-UHFFFAOYSA-N	346.408	2.495	50	40	EEGB	
Cc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1O	3081781	XGWSOQGKKIKWJY-AWQFTUOYSA-N	345.786	2.234	50	40	EEGB	
COc1ccc2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]c2c1	2242132	MIMKFVRSJMMYGM-GIJQJNRQSA-N	325.324	2.352	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1	408783351	KNAFRHWNSMJOTB-YBFXNURJSA-N	342.351	2.150	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)N/N=C/c2ccccc2O)ccc1O	15226676	PXONTBRUSCJBIA-POFOSOOGSA-N	337.335	2.164	50	40	EEGB	
CCCCc1[nH]nc2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8568090	LNSIDXFJPNPJQO-SFHVURJKSA-N	335.367	2.077	50	40	EEGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(N)=O)c2)cc1C	409005173	DAOSWNRMHSDRCV-KEBDBYFISA-N	340.383	2.323	50	40	EEGB	
CC(C)=NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1	19947803	XYVGBRINFORHLV-UHFFFAOYSA-N	345.424	2.394	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c(OC)c1	5548146	MPLHQCQSLFWNFR-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1ccc(O[C@H](C)C(=O)O)cc1	59248954	OQZPXVVZQQHSKA-ZGXHQARYSA-N	342.351	2.311	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)c(C)o1	26991964	RGKUYRRHBPRREV-UHFFFAOYSA-N	329.356	2.127	50	40	EEGB	
CC(=O)c1c(NNC(=O)CNc2ccccc2C)oc(C)cc1=O	27028105	UBZJLXDNJACDAE-UHFFFAOYSA-N	329.356	2.014	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1F	59386515	FEACZYYTVGSQNW-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)N/N=C1\C(=O)Nc2ccccc21	5911060	XJYPKWUENJXJPR-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccccn1	37125	MOIRFAMNCPKPGS-RQZCQDPDSA-N	334.173	2.373	50	40	EEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1F	59433939	UHYHAWJYKSPJRL-VXLYETTFSA-N	329.331	2.232	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1	3186255	IOMWDDXBWGZSGY-CXUHLZMHSA-N	344.283	2.032	50	40	EEGB	
C[C@@H](Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	3887853	MUMXHEHIKUEIDC-LLVKDONJSA-N	330.837	2.427	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(O)c2)c([N+](=O)[O-])c1	9355241	ZDNJABVJDINFAK-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
COCc1cc(C)nc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1C#N	408721587	JLZLUNXWRIYABI-UHFFFAOYSA-N	341.327	2.073	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1	16227873	GPKJCYISOMKWIU-UHFFFAOYSA-N	345.424	2.495	50	40	EEGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1cccc2ccccc12	16694038	RPIAYDWWGUUHRQ-GDNBJRDFSA-N	346.346	2.342	50	40	EEGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(O)c(O)c1	312009	HMUDYJJCLSVFJC-CAOOACKPSA-N	343.364	2.481	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	290036	HVTRWHQJZXMMSF-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
C=CCN1C(=O)/C(=N/NC(=O)Cc2cccs2)c2ccccc21	4724440	FCKGNDKKUUVJAK-KNTRCKAVSA-N	325.393	2.344	50	40	EEGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	36186165	NQEQTWBFZVVAOI-LICLKQGHSA-N	328.328	2.130	50	40	EEGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccccc1O	13006356	GELWQZWVVMJMHV-SNVBAGLBSA-N	334.759	2.274	50	40	EEGB	
C#CCOc1cccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	6300402	CZMBJDIJTPPXJO-CPNJWEJPSA-N	337.335	2.300	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1[N+](=O)[O-]	408833888	ZXSWQXMUJDIVLI-VCHYOVAHSA-N	341.323	2.438	50	40	EEGB	
CSC[C@@](C)(O)CNC(=O)[C@]12CC[C@@H](C[C@@H]1Br)C2	195545404	XNRQWJXGVUBBRU-UKJIMTQDSA-N	336.295	2.170	50	40	EEGB	
O=C(N/N=C/c1cccs1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	5677311	LQQNIWZJEZNIBJ-PBFYJAPKSA-N	331.372	2.390	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(C)nc1	102572014	OQDFWUOKDUWJMZ-MBTVCVBTSA-N	335.367	2.145	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1O	558885	HLOPABUOWLVLDW-AWQFTUOYSA-N	343.314	2.184	50	40	EEGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2N)cc1	100923063	ISQGWQVHSKKSQM-CIAFOILYSA-N	340.383	2.412	50	40	EEGB	
O=C(N/N=C/c1cc(O)ccc1Br)[C@H](O)c1ccccc1	34050	NULAIWUBVJZIOH-IREQLNLFSA-N	349.184	2.338	50	40	EEGB	
Cc1ccccc1N(CC(=O)NN=C1CCCCC1)S(C)(=O)=O	19954730	UOEXPCRKKMXCPG-UHFFFAOYSA-N	337.445	2.197	50	40	EEGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Cl)cc12	37422	BSHQQWNPIINCFK-MRXNPFEDSA-N	329.743	2.117	50	40	EEGB	
CC(C)(O)C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	1410623	MJXUXOBRDWGQQM-UHFFFAOYSA-N	343.339	2.044	50	40	EEGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cccc(C)c1O	4289824	HPPCYIYMWUJXKX-XDHOZWIPSA-N	329.356	2.106	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(O)c1	409393744	ZVDTWICBABVWBQ-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
C/C(=C\C(=O)NNC(=O)[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2	96298126	PBXWSPAQFNORCC-HNOFKTCTSA-N	332.444	2.476	50	40	EEGB	
N#C/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1\NC(=O)c2ccccc2N1	18213161	QEEGPIOQCNHKDZ-DTQAZKPQSA-N	334.291	2.368	50	40	EEGB	
O=C(N/N=C/c1cc(O)c(O)c(O)c1O)c1ccc2ccccc2c1	1529028403	GHYYDZXVUYMHAC-DJKKODMXSA-N	338.319	2.426	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)c1	3132027	BKAPHYZHNDZIDH-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
NS(=O)(=O)c1ccc(N/C=C(/C=O)c2nc3ccccc3o2)cc1	6045876	TXIVIPCQCQQXTE-LUAWRHEFSA-N	343.364	2.127	50	40	EEGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1	19954494	JKJBWRHEQLMBRY-UHFFFAOYSA-N	337.445	2.197	50	40	EEGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Cl)cc12	37421	BSHQQWNPIINCFK-INIZCTEOSA-N	329.743	2.117	50	40	EEGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	58882869	OIXWGGWWISQTOR-ODLFYWEKSA-N	326.352	2.311	50	40	EEGB	
CC(=O)c1c(NNC(=O)CNc2cccc(Cl)c2)oc(C)cc1=O	4619594	HTOJQTPIRITBAB-UHFFFAOYSA-N	349.774	2.359	50	40	EEGB	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccc(Cl)cc1	8074222	URQLRMIXWDEWSV-UHFFFAOYSA-N	341.795	2.016	50	40	EEGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl	194567	BFWHRHKAFNHDIF-UHFFFAOYSA-N	344.714	2.334	50	40	EEGB	
CCOc1cccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O	13562976	WOBPXKPSOQBYNR-DZGUVLCISA-N	342.351	2.081	50	40	EEGB	
O=C(COC1CCCCC1)NNC(=O)c1cc(-c2ccccc2)on1	56293194	WPSGHWKICORMGZ-UHFFFAOYSA-N	343.383	2.452	50	40	EEGB	
CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)c1ccco1	2255633	FMGIAEKBJXETAM-UHFFFAOYSA-N	335.228	2.274	50	40	EEGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CC=CC[C@H]1C(=O)O	16480992	DHMHAGYQOJYJIF-FVEFZWAJSA-N	346.427	2.017	50	40	EEGB	
CSc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NN)cc1	13115410	UZMVHKVUTPURJQ-WJDWOHSUSA-N	341.436	2.478	50	40	EEGB	
COCCNC(=O)/C(C#N)=C\c1cc(Br)ccc1OC	6372304	OXGFLTMLRIRDDC-XFFZJAGNSA-N	339.189	2.127	50	40	EEGB	
O=P(O)(CI)CI	4091413	NUGBDTGSFSLOGE-UHFFFAOYSA-N	345.842	2.042	50	40	EEGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NC1CCCCC1	3272264	FELPVTOPOLZBAR-LZYBPNLTSA-N	334.332	2.289	50	40	EEGB	
C/C(=N/NC(=O)CNC(=O)c1cccnc1)c1ccc(Cl)cc1	4833675	DMJCKESERDQEGL-JAIQZWGSSA-N	330.775	2.005	50	40	EEGB	
COC(=O)N/N=C/c1cc(Br)c(Br)o1	9434904	SEVCYQXOTKEKER-XCVCLJGOSA-N	325.944	2.495	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc3ncsc3c2)c1	17250709	RWFUUKBHRMNKQT-UHFFFAOYSA-N	340.408	2.437	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1	31829247	XPSKEKVSIMXIHM-YVLHZVERSA-N	329.312	2.133	50	40	EEGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2)N/N=C1\C[C@H]2CC[C@@H]1C2	225727853	OQRHGVOIXFORFS-ASVQACJCSA-N	330.432	2.351	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	581885	VVQGFSDQNYHGOA-VCHYOVAHSA-N	325.324	2.107	50	40	EEGB	
Cc1nc2ccccn2c1C(=O)NNC(=S)Nc1ccccc1	13658310	JKCDEPSGSOKGNQ-UHFFFAOYSA-N	325.397	2.274	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1O	59515924	NSAGKPDHGHQDAH-ODLFYWEKSA-N	344.367	2.111	50	40	EEGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1cccs1	409140905	GUKUSERIBWHLHL-WQRHYEAKSA-N	333.388	2.488	50	40	EEGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1	409239414	MOAHGYAHLXHPLH-XSFVSMFZSA-N	339.395	2.296	50	40	EEGB	
O=C(O)C(CBr)(CBr)CBr	103541884	LYOZEDIUDPIRPU-UHFFFAOYSA-N	338.821	2.242	50	40	EEGB	in-vitro
CC1(CC(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)OCCO1	4545179	NKNAEIHVXFATJU-UDWIEESQSA-N	339.351	2.421	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C	408963025	LNQFXHWDNFMDJB-DJKKODMXSA-N	342.355	2.479	50	40	EEGB	
CCO[C@H](C)n1nccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253408150	XDTHMJSSBKJJAH-BMIGLBTASA-N	328.372	2.253	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C(C)=N/NC(=O)c1ccccn1	5730110	DWVRCNRJPOVFPF-DORSJAEJSA-N	335.367	2.226	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O	17070733	FTTSTKILMGSBSU-XRGAULLZSA-N	336.432	2.241	50	40	EEGB	
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3cccs3)nc2n1	360875	VSKKXVMOGSFUCU-VIZOYTHASA-N	346.441	2.045	50	40	EEGB	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCO2	14137546	AVZMIGHMGYJILC-UHFFFAOYSA-N	349.346	2.081	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2C)c(C)c1	5744721	KARYEMFWFCXBAP-UHFFFAOYSA-N	342.395	2.217	50	40	EEGB	
COc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	153154	CLKWQNJFLVFLGA-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)ccc1O	59101510	IANSOKZUKPZBNG-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
O=C(COc1cccc(Br)c1)N/N=C1/CCSC1	13138941	RATFKTKLGVXRGY-UVTDQMKNSA-N	329.219	2.437	50	40	EEGB	
COCCNC(=O)c1c(NC(=O)CCl)sc2c1CCCC2	8074977	FLEXCJZNXYANLS-UHFFFAOYSA-N	330.837	2.180	50	40	EEGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3C(=O)O)n2c1	409011060	LWLNFEYKDBSUGX-DJKKODMXSA-N	336.351	2.413	50	40	EEGB	
COc1ccccc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1	5514996	QEBNFMXPPFNVEO-UNOMPAQXSA-N	328.368	2.405	50	40	EEGB	
COC(=O)[C@@H](Br)[C@H](OC)c1ccc(OC)c(OC)c1	1673147	VZGSUAGRBQUVJP-NWDGAFQWSA-N	333.178	2.328	50	40	EEGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1	1691935	XIOLLYKWJRYPIS-UHFFFAOYSA-N	329.381	2.100	50	40	EEGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1	58884634	KVTKVNLZBCWHSI-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
Cc1ccc(F)cc1C(=O)NNC(=O)Cc1nc2ccccc2n1C	8778581	LKJGWXBFJWVDLY-UHFFFAOYSA-N	340.358	2.025	50	40	EEGB	
CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)SCCS1	409264405	LFHKOQXTRARCKG-RIYZIHGNSA-N	341.414	2.337	50	40	EEGB	
O=C(CSCCc1ccccc1)NN=C1C(=O)Nc2ccccc21	408725272	DTFOGOSKUYDBNT-UHFFFAOYSA-N	339.420	2.435	50	40	EEGB	
CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN)cc1	13685516	LWYDOSXLKDLBID-PTNGSMBKSA-N	327.409	2.169	50	40	EEGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1	351058	ZXWGAESYTOVIRD-CQSZACIVSA-N	330.340	2.046	50	40	EEGB	
COc1cc(C(=O)NNC(=O)c2ccc(C)cc2)cc(OC)c1OC	498389	AOOROASUEAUWQU-UHFFFAOYSA-N	344.367	2.096	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(OC(F)F)cc2)n1	48332079	IKQOMYIFQCZAAQ-YFHOEESVSA-N	332.314	2.185	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccccc1C	3607922	ZPQURMGTICGACZ-UHFFFAOYSA-N	348.786	2.497	50	40	EEGB	
O=C(NNC(=O)c1ccc(F)cc1Br)c1cccnc1	14197988	BFGNWXKIADOZJJ-UHFFFAOYSA-N	338.136	2.058	50	40	EEGB	
COc1cccc(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1	35189347	NYAXXHQALSNBMZ-IUXPMGMMSA-N	343.295	2.096	50	40	EEGB	
Cc1cccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c1	223285	VIEKZKZGCVXZMD-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
Cn1cccc1C(=O)NN[C@H](C(=O)N1CCCCC1)c1ccccc1	32814724	VDZLACXZUZCOLM-KRWDZBQOSA-N	340.427	2.013	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCC(=O)O)cc1	437899	RUUYKJFTGZDNDK-KEBDBYFISA-N	341.367	2.021	50	40	EEGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2ccncc2)c(C)c1C#N	6825042	JMHZODJEQBETHI-QGMBQPNBSA-N	327.369	2.046	50	40	EEGB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCl	3274022	NTCBHODNDCAGFP-UHFFFAOYSA-N	342.823	2.498	50	40	EEGB	
O=C(N/N=C/c1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	409166871	GAWGORZNMXRQEX-KECVIQKOSA-N	331.759	2.436	50	40	EEGB	
Cn1cccc1CC(=O)N/N=C\c1cc(Br)ccc1O	36729132	KMOWAIMUIFAEMZ-SXGWCWSVSA-N	336.189	2.186	50	40	EEGB	
Cc1c(/C=N/NC(=O)CN2CCCc3ccccc32)cc(C#N)n1C	44867384	QFKSEKUEPAGSRF-CIAFOILYSA-N	335.411	2.108	50	40	EEGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1	59140302	CNWRDCHWCZSUAF-RGVLZGJSSA-N	338.367	2.245	50	40	EEGB	
CCOC(=O)Cc1n[nH]c2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2	6499283	HLCSEJKHTHKPSZ-IINYFYTJSA-N	328.372	2.041	50	40	EEGB	
Cc1cccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)c1	7393216	CCMQOHFBMCULBG-UHFFFAOYSA-N	334.339	2.474	50	40	EEGB	
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N/N=C/c1ccncc1	38536821	ZTMHXXTWZRGYJA-BTZNOAQDSA-N	342.374	2.125	50	40	EEGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O	54802	YUUJPORDQJVYMR-UHFFFAOYSA-N	335.703	2.029	50	40	EEGB	
CCOC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@H]1c1ccco1	97125355	HXVJPUQNFSHKIF-AWEZNQCLSA-N	348.380	2.356	50	40	EEGB	
CCO[C@H](C)n1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1	253397987	GJTKMVWVUUNZDC-BMIGLBTASA-N	328.372	2.253	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	3085272	UCBVDCJWMWICRS-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12)c1ccco1	59459155	LMWFXZXRBGAHPF-CAOOACKPSA-N	326.268	2.206	50	40	EEGB	
N#C/C(=C1\Oc2cc(C#N)c(C#N)cc2N(O)C1=O)c1ccccc1	66089276	JMEKVURCSODONY-SAPNQHFASA-N	328.287	2.479	50	40	EEGB	
CCOC(=O)N/N=C\c1cc(I)cc(C)c1O	18193052	BZWHVFBEBGOBSX-MLPAPPSSSA-N	348.140	2.385	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)cc2OC)cc1	259939	KPGHRYTUTQTZGE-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
Cc1n[nH]c2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	5125959	GXBPKXBRSBNOOA-GFCCVEGCSA-N	331.719	2.498	50	40	EEGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccnc1	123613	YQFNWSKRGVXFNX-REZTVBANSA-N	348.156	2.337	50	40	EEGB	
O=C(N/N=C/c1ccc(I)o1)c1ccco1	1424133	DJESBFMTYCJKPN-WUXMJOGZSA-N	330.081	2.241	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393468	WZEWESPKYJQUSE-XOBZYRBZSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](OC)c1ccccc1	20248580	IMPFIKYZDPPZOK-YCPFAOKUSA-N	343.339	2.441	50	40	EEGB	
COCCNC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2Cl)c1	17700082	WFVSVCJZGDFFFQ-OVCLIPMQSA-N	344.802	2.254	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(C(=O)O)cc1	6160748	BSMQFDBGTPEKGJ-LZYBPNLTSA-N	328.353	2.166	50	40	EEGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2	8445953	NCJINAZZDDACQO-UHFFFAOYSA-N	338.323	2.243	50	40	EEGB	
CC(=O)O[C@@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	36034648	MALAWQUOUSCHNB-BNHYGAARSA-N	325.636	2.381	50	40	EEGB	
Cn1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1=O	28509409	XUQHGITVKRCYDN-UHFFFAOYSA-N	347.589	2.497	50	40	EEGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1)C(=O)O	39557435	ZPCGVXMETBBCAM-VSMYLPJWSA-N	330.315	2.442	50	40	EEGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cccc(Cn2cccn2)c1	131552	DORISVPWJBFQKX-YBFXNURJSA-N	336.351	2.107	50	40	EEGB	
O=C(NNC(=S)Nc1ccc(F)cc1F)c1cc(O)ccc1O	609967	WFWBLFWEVOGMRR-UHFFFAOYSA-N	339.323	2.007	50	40	EEGB	
CCc1c(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)csc1C	2765080	ZJXPRCJMWZNCSR-RYUDHWBXSA-N	336.413	2.047	50	40	EEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2ccccc21	26503654	SWAQUCJTGIQFLR-GYXHFJGISA-N	325.324	2.359	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)/C=C/c2ccccc2)cc1OC	34206	UWNWVXXJYQKKBE-PKNBQFBNSA-N	340.379	2.107	50	40	EEGB	
O=C(COc1cccc(Br)c1)N/N=C/c1cccnc1	259424	KBMFTMBIPKABAJ-RQZCQDPDSA-N	334.173	2.373	50	40	EEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	7984994	OXIUOSOFZCVFCS-QHROSOOBSA-N	349.730	2.130	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])s1	59447357	YEXNZXINGWMHLB-RIYZIHGNSA-N	334.313	2.257	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2C)c1	9201888	KXDHBSSAFBEGIG-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1C	16482305	HUDDUJRPDDJTDY-WDEREUQCSA-N	336.413	2.047	50	40	EEGB	
C/C(=N\NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccccc1O	13123121	FVYIRJNUFKLNNC-UDPFGDFPSA-N	345.359	2.215	50	40	EEGB	
COC(=O)[C@@H](Br)[C@@H](C(=O)OC)C(Cl)(Cl)Cl	1724519	CNHXIIKKCWIXGZ-IMJSIDKUSA-N	342.400	2.082	50	40	EEGB	
C[C@@]1(c2cccc(N(CCCl)CCCl)c2)NC(=O)NC1=O	2003836	YGFQWHAWIKSSER-AWEZNQCLSA-N	330.215	2.025	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2cc(OC)ccc2OC)cc1	5513659	UOYCVYWJLLAPLS-XDHOZWIPSA-N	328.368	2.405	50	40	EEGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C1[C@H]2CCCC[C@@H]12	17730168	XNJQXVOJJPLFJV-CUGLKLJQSA-N	331.328	2.210	50	40	EEGB	
CCOc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccco3)CC2=O)cc1	6963001	ZLYLYAWDRURFRO-MDBUFAAASA-N	341.367	2.182	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1F	3210763	PRAQGGWELFMVQZ-DEDYPNTBSA-N	327.359	2.426	50	40	EEGB	
C[C@@H](Sc1ncccn1)C(=O)NNC(=O)c1cccc(Cl)c1	8429508	LBZDSOOVKNUFHX-SECBINFHSA-N	336.804	2.072	50	40	EEGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408803877	UHFAKQBITDKHDK-RVDMUPIBSA-N	335.363	2.357	50	40	EEGB	
CC(=O)NNC(=O)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2	585141450	WAEGUUKPIWLORD-CYBMUJFWSA-N	329.425	2.125	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(O)cc1O	5816635	TZZRDGIFFDINFT-WOJGMQOQSA-N	330.340	2.026	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Cl)cc1	568881	VPQHRKMLSFSUSQ-UHFFFAOYSA-N	349.730	2.088	50	40	EEGB	
COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1	1633500	FGVCQTXATMPVLT-HUUCEWRRSA-N	346.770	2.237	50	40	EEGB	
CC(C)=NNC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	101581541	AAJQOSAVIOIRJA-STQMWFEESA-N	325.368	2.268	50	40	EEGB	
Cc1ccc(SCCC(=O)NNC(=O)c2cnccn2)cc1C	11530163	KEODCYTWMQAGIJ-UHFFFAOYSA-N	330.413	2.037	50	40	EEGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc2ccccc12	96298061	BMQHTXGAXJTIKC-ONDHQXCVSA-N	345.424	2.050	50	40	EEGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1[N+](=O)[O-]	409361365	HACSWPJDYPJEHH-WQRHYEAKSA-N	341.323	2.059	50	40	EEGB	
CCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O	5732141	PTXVQRAGKIRXNY-UHFFFAOYSA-N	345.399	2.068	50	40	EEGB	
N#CCC(=O)N/N=C/c1cc(Br)c(Br)o1	12406539	RKFYQFMCUXDVGE-UUILKARUSA-N	334.955	2.168	50	40	EEGB	
O=C(C=C1CCCCC1)NNC(=O)c1nnc(-c2ccccc2)o1	56481613	VDSBQGVWBXVLTH-UHFFFAOYSA-N	326.356	2.388	50	40	EEGB	
O=C1[C@H](Br)[C@@H](Br)C(=O)N1c1ccccc1	100157143	FTSDYNGSNGJRLL-HTQZYQBOSA-N	332.979	2.087	50	40	EEGB	
O=C(COc1cccc2ccccc12)NNC(=O)c1ccccc1O	12921665	NPMCOAFXPVEGAJ-UHFFFAOYSA-N	336.347	2.385	50	40	EEGB	
CCCCCCC(=O)NN/C=C1\C(=O)N(CCCC)C(=O)N=C1O	9088590	AEPHPHRWKNEMJW-QXMHVHEDSA-N	338.408	2.180	50	40	EEGB	
NNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	32115706	QJFFVAKSMVYCCW-KRWDZBQOSA-N	327.409	2.064	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccs1	160398	CGMWTZPIZKCKCS-NSHDSACASA-N	332.410	2.306	50	40	EEGB	
N#CC1=C(C#N)C(=O)C(NCCCc2ccccc2)=C(Cl)C1=O	100349656	XOBBZMDAIYENSE-UHFFFAOYSA-N	325.755	2.155	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccccc2)c1	6441145	HPJKYEDHSJSMMH-UHFFFAOYSA-N	346.408	2.257	50	40	EEGB	
C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	1950162	RHENYHSBEAKZLN-ZXOFLVKFSA-N	338.411	2.021	50	40	EEGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	409377126	DXVZZEIZIBYQHY-QPEQYQDCSA-N	326.312	2.396	50	40	EEGB	
CC(C)[C@@H](Br)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C	408535036	XGHSZQKXGFYQKO-GFCCVEGCSA-N	340.221	2.235	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNC1CCCCC1	409381078	DRHMADAGQRWFEH-FYJGNVAPSA-N	343.427	2.080	50	40	EEGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1Cl	225500734	GDXYMDDZBZXDFU-UHFFFAOYSA-N	339.804	2.053	50	40	EEGB	
NNC(=O)CN1C(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1	256027902	IZIAAPOLVPDOBJ-OAHLLOKOSA-N	330.775	2.267	50	40	EEGB	
CCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3n[nH]c(CC)c32)c2ccccc21	12858533	BXOMRVJRDLNODX-IBGZPJMESA-N	349.394	2.101	50	40	EEGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccccc2)nc2ccccn2c1=O	545213	ARTBTPNNFHVJRP-ACCUITESSA-N	346.346	2.140	50	40	EEGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@@H]2C1	4453005	YNZWMYRJJBSIFA-HUUCEWRRSA-N	339.399	2.057	50	40	EEGB	
NNC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O	5323723	HKJATZSQDGDGMJ-CHHVJCJISA-N	344.754	2.325	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1O	408918389	JVRTXPZWAYYVFC-RQZCQDPDSA-N	342.779	2.048	50	40	EEGB	
IC[C@H]1COC[C@H](COCc2ccccc2)O1	39137867	BAHMEZMZNVFQOY-STQMWFEESA-N	348.180	2.422	50	40	EEGB	in-vitro
BrC[C@]12[C@H]3[C@@H]4[C@H]3[C@H]3[C@@H]1[C@H]2[C@]4(Br)C31OCCO1	239562980	NWTOYPBJWGMJPX-YULVOFFPSA-N	348.034	2.010	50	40	EEGB	
N[C@H](Cc1c[nH]c2ccc(N(CCCl)CCCl)cc12)C(=O)O	2040942	DGRNTPAKIUYGJI-CYBMUJFWSA-N	344.242	2.406	50	40	EEGB	
CCOC(=O)c1[nH]c(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1C	6024570	CZRGLEKSNOJUMU-ZDUSSCGKSA-N	341.371	2.058	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1	6259013	LBXMMZOZHFNYAI-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)OC2=O	100747144	OTWRGWSKJQRMNC-UASFKTIASA-N	340.011	2.262	50	40	EEGB	
Cc1cc(C(=O)NN[C@H](C(N)=O)c2ccccc2)c2ccccc2n1	26224181	JGFDNFOBOQIVNK-KRWDZBQOSA-N	334.379	2.004	50	40	EEGB	
COc1ccnc(NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)n1	48263657	RAXXEHBPWFBJQO-UHFFFAOYSA-N	344.762	2.081	50	40	EEGB	
O=S1(=O)CC[C@H]2C[C@H](Br)[C@H](Br)C[C@H]21	3913895	XZWWZQICRWKCLV-RULNZFCNSA-N	332.057	2.111	50	40	EEGB	
C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)c1cccs1	14046733	IIQVNIIOWXSKKD-LLVKDONJSA-N	341.392	2.024	50	40	EEGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccs1	409243426	YNGRIBKIJWJOPL-PDGQHHTCSA-N	345.424	2.357	50	40	EEGB	
CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C\C(Cl)=C\c1ccccc1	100611353	BDBGABQEMOMFFP-REFSUBEZSA-N	332.791	2.270	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1	8733095	GMJKDBSZCAOEJQ-NSHDSACASA-N	331.185	2.444	50	40	EEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(C)=O)cc1	58883237	UWYVMSBLECGXPP-ODLFYWEKSA-N	341.367	2.183	50	40	EEGB	
Cc1cccc(C(=O)NNC(=O)c2nnc(-c3ccccc3)o2)c1C	56479840	FYSXNSGUBHJLJS-UHFFFAOYSA-N	336.351	2.428	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1O	13921919	YXDBJBQGGNFDLQ-VXLYETTFSA-N	345.330	2.019	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	57509033	BKVSRJKMFMUYFD-LBPRGKRZSA-N	339.735	2.005	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	13479763	RUIDLYFNTFIYMC-XIRDDKMYSA-N	335.436	2.492	50	40	EEGB	
COc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccccc1F	40461104	INVSEMOIEICYBO-NSHDSACASA-N	347.346	2.455	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccc(Cl)cc1Cl	103076755	JFMGMJKONKPRTF-NTMALXAHSA-N	343.166	2.241	50	40	EEGB	
C=CCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	46085025	OIAKPIYPUHYOPC-UZYVYHOESA-N	335.363	2.119	50	40	EEGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(OCC(N)=O)cc1	33322501	JCAQSFFASCZTFH-GRSHGNNSSA-N	326.356	2.015	50	40	EEGB	
C#CCn1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	487376	YJJKSXYYRUGCAT-IOVUBPJKSA-N	331.375	2.458	50	40	EEGB	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(N)=O	7154653	SJYXTYQFANRQSX-CXUHLZMHSA-N	329.363	2.386	50	40	EEGB	
CCc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1	6709373	SUDHQFZZOAEMPG-UZYVYHOESA-N	337.379	2.125	50	40	EEGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)CCc1ccccc1	4808546	SZJSPGZRGAFZCH-CJLVFECKSA-N	337.423	2.470	50	40	EEGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSc2ncccn2)cc1	12658711	ZOWLUIAUJBHPAJ-RGVLZGJSSA-N	343.412	2.068	50	40	EEGB	
O=C(N/N=C/c1cccc(Cl)c1)c1c(O)c2c([nH]c1=O)CCCC2	9232850	KTPGZXNQGRFJSZ-DJKKODMXSA-N	345.786	2.377	50	40	EEGB	
Cc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)sc(N)c1C#N	408731237	YZOAJGBOFLJPDT-UHFFFAOYSA-N	328.353	2.003	50	40	EEGB	
CC(C)[C@H]1N(C(=O)CCl)CCCN1S(=O)(=O)c1ccccc1	59354206	FFASWJAYLDFTMA-HNNXBMFYSA-N	344.864	2.131	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1F)c1ccc2c(c1)OCO2	73261549	MQAUZRDAEOUBNR-OLZOCXBDSA-N	342.326	2.119	50	40	EEGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409135284	YBGJQAMMFNMBRE-INIZCTEOSA-N	337.379	2.203	50	40	EEGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1cc2ccccc2o1	5948963	UMVPGTPVBPURHN-UHFFFAOYSA-N	345.405	2.444	50	40	EEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1	1879221	YCRHLYFNWFJOQD-UDWIEESQSA-N	342.399	2.006	50	40	EEGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NCc1ccco1	567478	JYRMOQGWJSPZQH-FOWTUZBSSA-N	337.379	2.340	50	40	EEGB	
O=C(CCCc1cccs1)NNC(=O)[C@@H]1COc2ccccc2O1	12551973	GLNLNMLLBJKFSL-HNNXBMFYSA-N	346.408	2.058	50	40	EEGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc(C)cc1	4196577	LTVDWIRWINUEPZ-UDWIEESQSA-N	343.383	2.464	50	40	EEGB	
O=C(Cc1nc2ccccc2[nH]c1=O)N/N=C\c1ccc2c(c1)CCC2	31688120	GVLMARCSMXKFDQ-MTJSOVHGSA-N	346.390	2.105	50	40	EEGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccncc1	408724781	APVIXBGQEWKESA-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
Cc1nn(C)c(C)c1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	73983988	BNTVXXONRJTRJV-UHFFFAOYSA-N	346.456	2.442	50	40	EEGB	
N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@H]2[C@H]1c1ccc(F)cc1	5570083	AZOYFUPKEYJCAL-CWSCBRNRSA-N	326.253	2.097	50	40	EEGB	
Cc1ccc2occ(/C=N/NC(=O)c3cc(O)cc(O)c3)c(=O)c2c1	2769179	ZNQNFRROGIZESD-UFWORHAWSA-N	338.319	2.277	50	40	EEGB	
COc1ccnc(NNC(=O)c2cnc(-c3ccccc3)s2)n1	44942794	NMGLLEFJBLZHIO-UHFFFAOYSA-N	327.369	2.366	50	40	EEGB	
Cc1cc(SC#N)c(C)cc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	408532481	MVRBNEWFGXKQCS-UHFFFAOYSA-N	344.396	2.223	50	40	EEGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21	495829	MJASFQTXNLRNTB-CIAFOILYSA-N	334.379	2.281	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2O)c([N+](=O)[O-])c1	59030	XZCQWHBTKFRPTL-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@H]1c1ccccc1Cl	532756	FXFMCJVUGANXGK-ZDUSSCGKSA-N	328.784	2.442	50	40	EEGB	
O=S1(=O)[C@H]2CC[C@@H]1CC[C@@H](Br)[C@@H]2Br	104282375	RFFHTJJMSBLMPU-YWIQKCBGSA-N	332.057	2.253	50	40	EEGB	
O=C(NNC(=O)c1cccnc1O)c1ccc(Cl)cc1Cl	12873605	QMTGZRXRVJYPDJ-UHFFFAOYSA-N	326.139	2.169	50	40	EEGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2Cl)C1=O	9576143	OIPVCVNATYMCDU-RAXLEYEMSA-N	345.786	2.491	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2ccccc2OC)c(O)c([N+](=O)[O-])c1	408953558	MCPKZWTWJBFMIU-MFOYZWKCSA-N	345.311	2.082	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	34828876	QIFKXOWGPSSGPB-PDGQHHTCSA-N	326.356	2.354	50	40	EEGB	
O=C(O)[C@@H]1C=C(OC(F)(F)F)C=C[C@@H]1I	95611631	JKBGIHVWNUPMNQ-RITPCOANSA-N	334.031	2.481	50	40	EEGB	
O=C(Cc1csc(Cc2ccccc2)n1)NNc1ncccn1	48286789	KJNDRNCADKPSSF-UHFFFAOYSA-N	325.397	2.210	50	40	EEGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NNC(=S)NC[C@@H]2CCCO2)o1	12756700	VDRMZRWBKXLZJR-GEMIAEGISA-N	349.456	2.091	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)c2cc3cc(C)ccc3[nH]2)cc1	4702670	CRPUZFXGTNNCKF-UHFFFAOYSA-N	337.379	2.489	50	40	EEGB	
CCOC(=O)c1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)oc1C	3094708	UWRVTTSZFJEZNL-RQZCQDPDSA-N	345.311	2.437	50	40	EEGB	
COC(=O)[C@@H](Br)[C@@H](OC)c1ccc(OC)c(OC)c1	1673146	VZGSUAGRBQUVJP-RYUDHWBXSA-N	333.178	2.328	50	40	EEGB	
COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OC	28217933	USDKNFWYMOHIRO-MKMNVTDBSA-N	335.585	2.155	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCC#N)c1	107712657	RCKSPOKQFFPVMD-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	409045244	IEWBRSOAOYRHKQ-WOJGMQOQSA-N	341.323	2.406	50	40	EEGB	
Cn1ccnc1CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1614972604	INUOKKQMAMSYSG-SWLSCSKDSA-N	334.217	2.142	50	40	EEGB	
CCN(CC)S(=O)(=O)c1cc(NC(=O)NCCCl)ccc1C	4934376	HIQPMMRASPQULA-UHFFFAOYSA-N	347.868	2.386	50	40	EEGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccccc2F)cc1	59516232	VNAWSUINJIHDQQ-DQAKUKQTSA-N	343.358	2.162	50	40	EEGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccs1	5033437	QGTCARAKOZFAPX-NEPJUHHUSA-N	345.449	2.187	50	40	EEGB	
O=C1C=C(NNC(=O)COc2ccccc2)C[C@H](c2ccco2)C1	408751564	YRMOWFQQRBLSNK-ZDUSSCGKSA-N	326.352	2.310	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)c1	1800470	ZMWFYDQYWYCGGY-UHFFFAOYSA-N	342.395	2.217	50	40	EEGB	
COc1cc(C=C(C#N)C#N)cc(Br)c1OCC(=O)O	2750129	HXLSTFKVDGEPQT-UHFFFAOYSA-N	337.129	2.352	50	40	EEGB	
CC(C)n1nc(C(=O)NNC(=O)CC(C)(C)C)c2ccccc2c1=O	13001430	XVLUVRBBTTYPOG-UHFFFAOYSA-N	344.415	2.175	50	40	EEGB	
CCOC(=O)[C@H](C)/C(C)=N/NC(=O)c1ccc(NC(=O)CC)cc1	4394111	XWKNVTZOAZMVFF-FLFDVBNFSA-N	333.388	2.340	50	40	EEGB	
Cn1cc(C(=O)NNC(=O)C2=Cc3ccccc3OC2)c2ccccc21	15823848	BJLOKNVAFASDIM-UHFFFAOYSA-N	347.374	2.415	50	40	EEGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)nc2c1	32227792	AKIGGGUZIAUNFV-GRSHGNNSSA-N	336.351	2.413	50	40	EEGB	
CC[C@@H](O)c1ccc(OCc2ccc(C(=O)NN)cc2)c(OC)c1	522933	GQJITVVTUSPGPW-OAHLLOKOSA-N	330.384	2.321	50	40	EEGB	
Cc1n[nH]c2c1[C@H](c1cc3cccc(C)c3[nH]c1=O)C(C#N)=C(N)O2	6444153	NOTLWDULSRPFES-CQSZACIVSA-N	333.351	2.086	50	40	EEGB	
O=C(/C=C/c1ccsc1)NNC(=O)c1cc(Br)c[nH]1	8328072	VUJFGQUPGCTNFH-OWOJBTEDSA-N	340.202	2.313	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]	408598698	IRLIUNUVQRSEQE-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)COc2ccccc2Cl)c1	5747987	KCJPKWJBHKRIAJ-UHFFFAOYSA-N	348.786	2.254	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	33725382	FSFBDYFWOHIYHF-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](C#N)[C@H]1c1cccc(Br)c1	66087969	YEJLFYACSRJDBU-GZBFAFLISA-N	338.168	2.456	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1OC	582569	QQJDSGMCZZIQQI-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	3089124	ZQYABFCUQJFWCW-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
CO[C@@H](C(=O)NNC(=O)COc1ccc(C)cc1C)c1ccccc1	5744739	DOPSWMBOXIUHOX-GOSISDBHSA-N	342.395	2.217	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c1	60221	AIKKAHGSMHMWBO-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CN(C)C[C@]1(C=O)CC[C@H](Br)[C@H](Br)C1	4962514	NKMVPQUAEQLEAN-AEJSXWLSSA-N	327.060	2.444	50	40	EEGB	
O=C(NNC(=O)c1ccco1)c1ccc(OCc2ccncc2)cc1	29737705	LPOUOACHWTTXMJ-UHFFFAOYSA-N	337.335	2.328	50	40	EEGB	
N#C/C(=C/Nc1ccc2c(c1)OCCO2)C(=O)NCc1ccco1	95661368	LXYNZMQDKYMLAO-BENRWUELSA-N	325.324	2.187	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	32561691	ZKFQSSZSFVHFIU-YVLHZVERSA-N	329.312	2.002	50	40	EEGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	408999010	VTROUNRSKQFDRC-ODLFYWEKSA-N	347.802	2.382	50	40	EEGB	
O=C1CCN(S(=O)(=O)CBr)[C@@H](c2ccccc2)C1	583651028	DQEBJNWDKHGDPC-GFCCVEGCSA-N	332.219	2.075	50	40	EEGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1	58882840	AFYWFXVLGPRCQM-NDENLUEZSA-N	339.395	2.354	50	40	EEGB	
NC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1	408962031	FUJMPGVOXBEVLO-OCKHKDLRSA-N	346.774	2.360	50	40	EEGB	
Cc1nn(C)c(C(=O)N/N=C/c2ccc(F)s2)c1Br	252484507	FXXOKHURMCLWQA-LHHJGKSTSA-N	345.197	2.456	50	40	EEGB	
O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cccc([N+](=O)[O-])c1	5414047	NXXJLALWRHXJDH-LVZFUZTISA-N	345.314	2.383	50	40	EEGB	
CC(C)[C@@H](Br)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1	4772254	FMBWOYZHZAVDEE-JHJVBQTASA-N	339.233	2.357	50	40	EEGB	
N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2o1	6897053	XHVQPXWNEOWAIG-KHPPLWFESA-N	340.364	2.452	50	40	EEGB	
NC(=O)N/N=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1	4599835	DMBMKBJOTVFUFE-WOJGMQOQSA-N	344.327	2.055	50	40	EEGB	
CC(=O)NNC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Cl	585119675	PFSQKXVPPLXXKB-UHFFFAOYSA-N	327.768	2.468	50	40	EEGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)NN)cc1	148410	BJQYKJAYIROVOM-UHFFFAOYSA-N	333.775	2.269	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	57509029	BKVSRJKMFMUYFD-GFCCVEGCSA-N	339.735	2.005	50	40	EEGB	
O=C(N/N=C/c1cc(O)ccc1Br)[C@@H](O)c1ccccc1	34048	NULAIWUBVJZIOH-VEJKBTLKSA-N	349.184	2.338	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1	13921991	YJTGPCOXCVSAAE-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
CCOc1cccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O	13562973	WOBPXKPSOQBYNR-WSLMLHKMSA-N	342.351	2.081	50	40	EEGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNc1ccc(Cl)cc1	102851579	DPEYBJYSCJTNFT-OKILXGFUSA-N	347.802	2.124	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])cc1	3186243	GSCZREBBJQSFMQ-CXUHLZMHSA-N	344.283	2.032	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)c(OC)c1	6736104	POXXTPRKUROQQZ-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
CC[C@@H]1CCc2sc(C(=O)NNC(=O)Cc3cc(C)[nH]n3)cc2C1	12540652	GUOLLBWFSUWZKI-LLVKDONJSA-N	346.456	2.298	50	40	EEGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc(C)c2)[C@@H](C(=O)O)C1	2749606	PSYNERHKHQCQBM-STQMWFEESA-N	336.413	2.265	50	40	EEGB	
C/C(=N\NC(=O)c1c(Br)cnn1C)c1ccc(F)cc1	6644751	LIUGPQOXKFFSOG-CAOOACKPSA-N	339.168	2.476	50	40	EEGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	5817671	SORIMTUJTSQXLD-HNNXBMFYSA-N	326.356	2.344	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1	278750	ACFQLVRZLXYYEK-GFCCVEGCSA-N	332.381	2.027	50	40	EEGB	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)cc2)c1C	568493	SEVUJPVVADVEBC-UHFFFAOYSA-N	343.383	2.191	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)C2(c3ccccc3)CC2)cc1OC	24758712	YQFQMNQWHGREKB-UHFFFAOYSA-N	340.379	2.197	50	40	EEGB	
CCOC(=O)NNC(=O)c1ccc(NC(=O)c2cccs2)cc1	21771956	OULOYGKQCGNRJA-UHFFFAOYSA-N	333.369	2.391	50	40	EEGB	
Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	5553383	YNXDEKKYOCGUHL-LSDHHAIUSA-N	329.787	2.413	50	40	EEGB	
O=S1(=O)[C@@H]2CC[C@@H](Br)[C@H]1CC[C@@H]2Br	5664942	RZDTXAKCTKLMRB-ULAWRXDQSA-N	332.057	2.253	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2	104680631	QOGOXRQOUBIYFX-KAMYIIQDSA-N	335.363	2.206	50	40	EEGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	59434080	WLWHYSPAQFJVQQ-UDWIEESQSA-N	341.342	2.479	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2cc(Br)ccc2O)n1	13006378	DVHVYVSMCJRKQX-UHFFFAOYSA-N	337.177	2.318	50	40	EEGB	
O=C(Cn1ccc2ccccc21)NNC(=O)Cn1ccc2ccccc21	4676444	VRTGQDUFAYEVDI-UHFFFAOYSA-N	346.390	2.444	50	40	EEGB	
O=C(N/N=C/c1ccccn1)C1CCN(C(=O)c2ccccc2)CC1	409007210	VIKMEUYMFVTUEM-KGENOOAVSA-N	336.395	2.084	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1ccccc1	409382552	OSPJUJBWKQFURJ-FYJGNVAPSA-N	337.379	2.269	50	40	EEGB	
C[C@H]1C[C@H](C)CN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1	26466363	PIBZUMISROWYFH-PTTFWAKNSA-N	338.411	2.124	50	40	EEGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2)c(C)c1	2132059	RHHGGUNGIOCIMN-UHFFFAOYSA-N	339.395	2.483	50	40	EEGB	
CN(C)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	38161500	ZDJDQAIZKNKTAR-LICLKQGHSA-N	328.328	2.130	50	40	EEGB	
O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1	3885318	YWNGXOWLIBYOQM-UHFFFAOYSA-N	330.837	2.429	50	40	EEGB	
CCOC(=O)/C(C#N)=C1\CCC[C@H]1/C(SC)=C(/C#N)C(=O)OC	16681985	OFUFQINRHBIHCK-GQNWZYKASA-N	334.397	2.483	50	40	EEGB	
O=C(Cc1nc2ccccc2[nH]c1=O)N/N=C/c1ccccc1Cl	2751443	PLCSDPOFMZYPMA-VXLYETTFSA-N	340.770	2.269	50	40	EEGB	
COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1	327465	BCPXIQIKABZBEA-RVZJCZPVSA-N	337.379	2.198	50	40	EEGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccccc1	486667	ZTRSUWXSWVYWLU-UHFFFAOYSA-N	340.404	2.392	50	40	EEGB	
C=CCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21	1245540	DMDLSRZRXCJAQY-CIAFOILYSA-N	348.362	2.052	50	40	EEGB	
NNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12	13945767	GQFQUPLQMOISQB-SFHVURJKSA-N	334.379	2.093	50	40	EEGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)[C@@H]2C(C)C)cc1	4778610	OYIGVFNGWFXBIV-HNNXBMFYSA-N	344.864	2.049	50	40	EEGB	
COc1ccccc1CC(=O)NNC(=O)COc1cc(C)ccc1C	8749534	LBHYWJCGBJSOFY-UHFFFAOYSA-N	342.395	2.081	50	40	EEGB	
CCCCc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	8783365	JDGYCHMLDPFLGH-GOSISDBHSA-N	335.367	2.375	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C#N)cc2F)c1	408964833	FDXUHNYSJHMELH-KEBDBYFISA-N	327.315	2.478	50	40	EEGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-]	195721	USFXOFNFQPKNQX-OBGWFSINSA-N	338.323	2.014	50	40	EEGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2Br)n1	11297818	HPKRFLBAELJDNG-JXMROGBWSA-N	345.204	2.346	50	40	EEGB	
CNC(=O)CCCCC(=O)N/N=C/c1cccc(Br)c1	3080379	NNVMUIBLPIGYIC-LICLKQGHSA-N	340.221	2.206	50	40	EEGB	
O=C(NNC(=O)c1nccc2ccccc12)c1ccc2c(c1)OCO2	58430475	CXYLKNCMDZUIPV-UHFFFAOYSA-N	335.319	2.038	50	40	EEGB	
CO[C@H](C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	2307276	RTSVRZSIVRGCRT-INIZCTEOSA-N	332.787	2.418	50	40	EEGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccccn1	409246269	ABUIMCPIIRFDAE-ATVHPVEESA-N	336.395	2.255	50	40	EEGB	
CC(C)(CCl)CS(=O)(=O)NCc1noc(-c2cccs2)n1	585115421	ZEHFBPFXVQPBTH-UHFFFAOYSA-N	349.865	2.483	50	40	EEGB	
CCC(=O)O[C@]1(/C=C/C#N)CCN(C(=O)OC(C)(C)C)CCC1=O	953066254	ZERJDLXKAWXSQQ-DBWMJRBXSA-N	336.388	2.358	50	40	EEGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c4c(cccc24)CC3)n1	12976269	QRIFJIVGWCVOGX-UHFFFAOYSA-N	348.406	2.213	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1	34703917	PBGDIAIJNLJEKI-YVLHZVERSA-N	328.328	2.130	50	40	EEGB	
CCn1ncc(/C=N/NC(=O)c2nc(-c3ccc(C)cc3)no2)c1F	252482601	DKDCVTNEQDKSBH-QGMBQPNBSA-N	342.334	2.164	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1	218697	YNTXYGNUCPDXHA-CABCVRRESA-N	325.324	2.160	50	40	EEGB	
N[C@@H](CSc1ccc(N(CCCl)CCCl)cc1)C(=O)O	1691131	VRZFIJYDEBTUJE-LBPRGKRZSA-N	337.272	2.475	50	40	EEGB	
O=C(CCCc1cccs1)NNC(=O)COc1ccc(F)cc1	6651331	ZPSCZEGDDORKNH-UHFFFAOYSA-N	336.388	2.436	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1OC	35185538	GBCQODHAIHGBSA-GRSHGNNSSA-N	342.351	2.125	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2cnccn2)cc1Br	33322822	KFONIHVSIBAUSO-IDUWFGFVSA-N	335.161	2.012	50	40	EEGB	
O=C1N(CN2CCCCC2)c2ccccc2[C@@]12OC[C@@H](CCl)O2	12377330	CDHHNOIBYWPSSL-DYVFJYSZSA-N	336.819	2.284	50	40	EEGB	
C=CSS/C(=C/N(C=O)Cc1cnc(C)nc1N)CCO	1587093	DXZBFWCUTNVBHB-XYOKQWHBSA-N	326.447	2.074	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1	59959643	RJIMINKXSDPBMO-UDWIEESQSA-N	340.427	2.459	50	40	EEGB	
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(N)=O)c1	26534031	HJZCBYBYCAHOAE-RAXLEYEMSA-N	346.346	2.188	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OC	409387101	NSAIWRHSFAWIMF-UDWIEESQSA-N	333.432	2.466	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCC(=O)O)c1	408748678	GIXUXACAUBYSHT-VXLYETTFSA-N	342.351	2.231	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(C)=O)c1C	409009082	VFIYURZGIILHHZ-RQZCQDPDSA-N	330.344	2.481	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(Cl)cc21	6056204	UKHSIMVQYQKONX-UHFFFAOYSA-N	343.770	2.500	50	40	EEGB	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1	32888225	QEROAMQXSNOJEC-DHZHZOJOSA-N	345.399	2.383	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C)c1	8142677	PIHDCGVPLHUOLO-UHFFFAOYSA-N	336.347	2.485	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1	8144659	SMEBFTFWQQBPHK-UHFFFAOYSA-N	337.379	2.191	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc([N+](=O)[O-])c1O	409358809	GVUUMAAMAALEAS-ZDLGFXPLSA-N	343.339	2.310	50	40	EEGB	
CO[C@H](C)C(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2061000328	HDMAWNXRCIHYGB-ZJUUUORDSA-N	348.311	2.015	50	40	EEGB	
CCCc1n[nH]c2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2	4039703	JYAQTLFCVRDSNS-LJQANCHMSA-N	349.394	2.101	50	40	EEGB	
O=C(COc1cccc(F)c1)N/N=c1/c(=O)c2cccc3cccc1c32	8515012	HBEAMASERKZUAI-FCDQGJHFSA-N	348.333	2.379	50	40	EEGB	
CCS(=O)(=O)[C@H](I)C(=O)c1ccccc1	96517941	KNFZSPDONNYEAO-JTQLQIEISA-N	338.166	2.065	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1	520205	NMALZKQFHZSNPH-UHFFFAOYSA-N	342.351	2.247	50	40	EEGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	59101527	MPUKBJZNKULSEX-DJKKODMXSA-N	339.351	2.121	50	40	EEGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(F)cc1	408972534	DISBYUOSDUCJBG-XYHOIZSOSA-N	339.370	2.292	50	40	EEGB	
CCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccco2)c2ccccc21	5325355	SVALZXPCOHKGQG-PEZBUJJGSA-N	348.362	2.231	50	40	EEGB	
CC(C)=NO[C@]1(c2cccs2)OC(N)=C(C#N)C1=C(C#N)C#N	100242204	XMWPZZLMYMWKFR-HNNXBMFYSA-N	325.353	2.381	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1O	3398754	AMPUSLFGMLXBEM-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CC1(C)[C@H](Br)C(=O)[C@@H](Br)C(C)(C)N1O	1567480	LIAOQMDOLHMEGN-RNFRBKRXSA-N	329.032	2.345	50	40	EEGB	
CC(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1	59461569	JZTQSRQWBRWAJU-LPYMAVHISA-N	338.411	2.362	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)c2cncc(Br)c2)cc1	3325756	ZXMXSWMDOBUASI-UHFFFAOYSA-N	334.173	2.227	50	40	EEGB	
CCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	9314342	BJYVTTPBIDEKRH-UHFFFAOYSA-N	335.367	2.105	50	40	EEGB	
N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)NCc1ccccc1	408746721	GFCFQZVEAYLTGC-MLPAPPSSSA-N	339.307	2.229	50	40	EEGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1C	408963522	OGLGQLLANYYZKZ-JMIUGGIZSA-N	340.383	2.323	50	40	EEGB	
O=S1(=O)C[C@H](NC(=S)Nc2ccccc2Cl)[C@@H](Cl)C1	575419579	TXCBGFFXIJDUCN-WPRPVWTQSA-N	339.269	2.031	50	40	EEGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1	520049	APSOMBILXZWHQR-OWBHPGMISA-N	329.400	2.472	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccccc1	59566514	KKRQPCQGAVRESF-DEDYPNTBSA-N	338.411	2.167	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1OC	59515933	MNNUDJHRXAQAIO-ODLFYWEKSA-N	342.351	2.095	50	40	EEGB	
C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	2650103	HMHSTTNHDAJTHF-LLVKDONJSA-N	330.837	2.427	50	40	EEGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2	5516974	ULBJVCFRSZMYML-LICLKQGHSA-N	327.296	2.478	50	40	EEGB	
C=CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	5549251	WUBYSUJINFRYKS-QOCHGBHMSA-N	349.390	2.427	50	40	EEGB	
CCNC(=O)NNC(=O)c1cc2cc(Br)ccc2o1	49183292	JKTGYAJPARWKKE-UHFFFAOYSA-N	326.150	2.159	50	40	EEGB	
CCOC(=O)/C(C#N)=C/Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1	102140294	FSXFBEANTXMCAK-ACCUITESSA-N	338.367	2.382	50	40	EEGB	
O=C(NNC(=S)NC1CC1)c1csc(Cc2ccccc2)n1	31492103	VXWBMCZPYQQPPG-UHFFFAOYSA-N	332.454	2.005	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2C(=O)O)cc1OC	58885239	CBLDYELZXPRHAN-ODLFYWEKSA-N	342.351	2.095	50	40	EEGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1cccc(Cl)c1)C(=O)N2	59472595	XONYRRKHJRNHGR-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
Cc1nn(CC(C)C)c(C)c1CC(=O)NNC(=O)c1ccccc1	7239661	YEFKYUZBRVUCRK-UHFFFAOYSA-N	328.416	2.160	50	40	EEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/CCc2ccccc21	96708724	LJWNDUQEXNUEMJ-JXAWBTAJSA-N	325.324	2.440	50	40	EEGB	
COc1cc(Cl)c(Cl)cc1C(=O)NNC(=O)[C@H]1CCCOC1	585088505	CMGNIFOEBJJRED-QMMMGPOBSA-N	347.198	2.190	50	40	EEGB	
Cc1cc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(=O)[nH]c2cc1C	421479	ZOMFOWDORJDNOL-INIZCTEOSA-N	347.378	2.395	50	40	EEGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	23382641	NCSXGZVXHRJUSF-YRNVUSSQSA-N	339.189	2.214	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)Cn2cnc3ccccc32)ccc1O	13942953	FLFZFEHWMQGVBL-UDWIEESQSA-N	338.367	2.291	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@H](/N=C/c2ccc(Br)cc2)C1	5893889	NBMCEIAKWVVTFS-OKTOVADASA-N	336.638	2.272	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	260121	KTQOFRBJUYATRZ-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@@H]1c1ccccc1	192303	OVFDHKGBFHKINA-GFCCVEGCSA-N	339.189	2.253	50	40	EEGB	
C=CCc1cccc(/C=N/NC(=O)c2[nH]ncc2Br)c1O	711770	UBFHZSUMYPVISI-FRKPEAEDSA-N	349.188	2.370	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	409098894	RFNVZRJQQRFMBY-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
Cn1c(CC(=O)N/N=C2\CCc3c(O)cccc32)nc2ccccc21	98054218	IRDBDDKRHIFAAT-KGENOOAVSA-N	334.379	2.288	50	40	EEGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	12292729	WSBIYRODLNFPNF-LBPRGKRZSA-N	343.339	2.132	50	40	EEGB	
Cc1c(C(=O)O)oc2c1/C(=N/NC(=O)c1ccc(N)cc1)CCC2	43910084	LTAUUFHIBTUMEZ-XDHOZWIPSA-N	327.340	2.339	50	40	EEGB	
NC(=S)NNC(=O)/C=C/c1cccc(OCc2ccccc2)c1	62714439	USVMASRWOKMTSB-MDZDMXLPSA-N	327.409	2.143	50	40	EEGB	
NC(=O)N/N=C\c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1	35409446	DMBMKBJOTVFUFE-WQRHYEAKSA-N	344.327	2.055	50	40	EEGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccccc1	3273773	DPGJUSMDSPFBNH-GXDHUFHOSA-N	339.351	2.495	50	40	EEGB	
NNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1F	4837221	YTLJERLJGHBSAW-ZROIWOOFSA-N	333.750	2.240	50	40	EEGB	
NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	291640	ZUQAERNQRRPOIA-UHFFFAOYSA-N	334.173	2.305	50	40	EEGB	
Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)CCl)cc21	408536972	YPFBCSRWGJWWHD-UHFFFAOYSA-N	336.823	2.045	50	40	EEGB	
Cc1sc(-n2cccc2)c(C(=O)NNC(=O)[C@@H]2CCCO2)c1C	32260505	WFPWRASRBFPRRR-LBPRGKRZSA-N	333.413	2.096	50	40	EEGB	
C[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1Br	4772778	BSCJTUQIAQJPDB-MCYUEQNJSA-N	337.217	2.111	50	40	EEGB	
C[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)C3CC3)cc2[N+](=O)[O-])C1	15794499	CPYGUVGFLPQZLF-LLVKDONJSA-N	346.387	2.002	50	40	EEGB	
N#CCCCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21	18286496	TVWKQYNOUURNIS-FCDQGJHFSA-N	346.390	2.400	50	40	EEGB	
Cc1ccccc1-n1ncc2c(NNC(=O)c3ccco3)ncnc21	36652400	CKVKVBIFRACSNF-UHFFFAOYSA-N	334.339	2.474	50	40	EEGB	
CC(=O)Oc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	408756414	UYGBETARCUJNRI-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(F)cc1	408775294	FYCUWNWMLNSWRO-UHFFFAOYSA-N	341.408	2.028	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1	46959	PMIHVXDDXOXRGK-YBFXNURJSA-N	340.335	2.008	50	40	EEGB	
COc1ccccc1/C=C/C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	516516	OTUBSPBVXHRMMQ-MDZDMXLPSA-N	341.323	2.078	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)c(O)c([N+](=O)[O-])c1	9200571	JCZYNVDFFRVJGI-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC#N)c(OC)c2)c1	33563708	DLZPCTLKRIGOEQ-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
O=C(NNC(=S)Nc1ccccc1)/C(=C/c1ccccc1)CCO	4953495	RZZGDDNALVAARF-FYWRMAATSA-N	341.436	2.470	50	40	EEGB	
COc1ccccc1-c1nnc(-c2cc(C(=O)NN)c(C)nc2C)o1	8276233	CHMPYEPBQBYCLZ-UHFFFAOYSA-N	339.355	2.028	50	40	EEGB	
CC(C)CC(=O)NNC(=O)c1ccc(I)cc1	10160335	DNRWHPLCMOUJRC-UHFFFAOYSA-N	346.168	2.098	50	40	EEGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)c1nc2ccccc2c(=O)[nH]1	9320551	MHCBULAYEQQVRD-ACCUITESSA-N	348.362	2.417	50	40	EEGB	
O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2ccco2)cc1	17257178	HTBIRUIYITUTQN-UHFFFAOYSA-N	339.307	2.200	50	40	EEGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1cccnc1	226337630	PPBMZIPUMSYFNI-SNAWJCMRSA-N	333.775	2.326	50	40	EEGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1	510830	DIVCFWSYGVDSOX-UHFFFAOYSA-N	334.759	2.189	50	40	EEGB	
CC1(C)CC(=O)C=C(NNC(=O)/C(=C/c2ccccc2)CCO)C1	4924560	KHTNBLPJQJEMKT-XNTDXEJSSA-N	328.412	2.346	50	40	EEGB	
NC(=O)[C@@H](NNC(=O)c1cc2c(s1)CCCC2)c1ccccc1	26222593	SLNYAVOWSZTLFE-HNNXBMFYSA-N	329.425	2.088	50	40	EEGB	
COC(=O)[C@H](CNC(=O)[C@H](C)Br)Cc1ccc(F)cc1	95097981	RXMKLLXAACXGKD-ONGXEEELSA-N	346.196	2.057	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)c(OC)c1	5954430	JZCHBWSTIOEDIO-YBFXNURJSA-N	341.367	2.052	50	40	EEGB	
COc1c(C)cccc1C(=O)NC(=S)NNC(=O)c1cccs1	1840060	NWUOPAPESBKGRK-UHFFFAOYSA-N	349.437	2.014	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1O	3147592	RYAHIRRRMIHOIW-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
O=C(C(Cl)Cl)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	59608752	CZERTJASNNLSKG-UHFFFAOYSA-N	328.199	2.297	50	40	EEGB	
COc1cc(/C(C)=N/NC(=O)c2cccnc2)cc(OC)c1OC	6528810	WMMQJOXEVZOCCZ-YBFXNURJSA-N	329.356	2.261	50	40	EEGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(O)cc1	408799016	XXOCVWRRDFOKAF-UKTHLTGXSA-N	338.319	2.401	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1O	487122	VLEJNWFVCKSKRV-KEBDBYFISA-N	331.347	2.492	50	40	EEGB	
C/C(=N\NC(=O)C[n+]1ccccc1)c1ccc(Br)cc1	5829302	ZUGXMOZLSHNGKO-SFQUDFHCSA-O	333.209	2.277	50	40	EEGB	
CC(C)/C=N/NC(=O)CCNC(=O)c1ccccc1Br	5603486	JEQFRLKZEZOSOV-RQZCQDPDSA-N	340.221	2.327	50	40	EEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C)cc1[N+](=O)[O-]	6501724	DGZLHADJSPVBDL-WQLSENKSSA-N	326.312	2.038	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12)c1ccncc1	59459154	PRSOQPSZVLZDGJ-DJKKODMXSA-N	337.295	2.008	50	40	EEGB	
CC(=O)NNC(=O)[C@@H](C)N1CCC(CCc2ccc(C)cc2)CC1	96004051	TVLWEIXUWSZABY-OAHLLOKOSA-N	331.460	2.195	50	40	EEGB	
CCOC(=O)C1=C(C)NC(=O)N(C(=O)CCl)[C@@H]1c1ccccc1	6604147	ZIAFJUBQFIWIHC-CQSZACIVSA-N	336.775	2.355	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@@H]2C1	17118627	DUWXQJJAEFVDQG-QZTJIDSGSA-N	344.422	2.217	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408709029	WNWOGWAIBGNYFX-AWQFTUOYSA-N	348.765	2.419	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1F)c1ccc2c(c1)OCO2	73261553	MQAUZRDAEOUBNR-CHWSQXEVSA-N	342.326	2.119	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(C)cc(O)cc1O	20100786	BLNFJUZOWFKHCZ-VXLYETTFSA-N	344.367	2.334	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1	3097550	WUUMITTUACEIEG-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	3388136	QMKSJKMGESJJTD-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1OCC	7869481	GBSWDGWOPBPJOS-KZKLBEMASA-N	349.431	2.239	50	40	EEGB	
COC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1	8156508	FLVJJXHFYGFTON-LDADJPATSA-N	327.388	2.471	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(OC)c1OC	3574189	UTASZXIGSWCPII-VXLYETTFSA-N	329.356	2.059	50	40	EEGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O1	5055010	IRCAGUOVCPIUOL-CQSZACIVSA-N	342.351	2.118	50	40	EEGB	
COc1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)c([N+](=O)[O-])c1	409009836	IOOUAKRKVZOHRL-RQZCQDPDSA-N	330.344	2.481	50	40	EEGB	
CCc1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1	575420531	BOJPERBUFOTHEV-RKDXNWHRSA-N	338.907	2.001	50	40	EEGB	
O=C(CCl)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	4284758	QWHSNGAGJFPSRE-UHFFFAOYSA-N	325.674	2.381	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1OCC	3117266	JBDIWVWXSHCBRA-UDWIEESQSA-N	349.431	2.096	50	40	EEGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	121714	MFFGWRYHHDWVGF-CYBMUJFWSA-N	346.408	2.330	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1OC	59515932	GUTURYJCUGIDKB-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
C[C@H]1C[C@H]1C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	28200930	SWXCKMJAHDJFCF-NWDGAFQWSA-N	325.368	2.076	50	40	EEGB	
COc1c(O)ccc(/C=N\NC(=O)c2ccc(F)cc2)c1[N+](=O)[O-]	4814001	DCGZLMKVDQXTTJ-IUXPMGMMSA-N	333.275	2.212	50	40	EEGB	
COc1ccc(CCNC(=O)/C(C#N)=C2\N=C(N)c3ccccc32)cc1	73641585	UAQFXSBNKQJBMZ-ZCXUNETKSA-N	346.390	2.008	50	40	EEGB	
O=C1N(CN2CCCCC2)c2ccccc2[C@@]12OC[C@H](CCl)O2	12377328	CDHHNOIBYWPSSL-GUYCJALGSA-N	336.819	2.284	50	40	EEGB	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	492408	LXLGBIDYYRMQHE-CABCVRRESA-N	325.324	2.160	50	40	EEGB	
COC(=O)/C(=N/Nc1ccc(Br)cc1)C(=O)CCl	12622961	MVVAAQVYJOEPEK-XNTDXEJSSA-N	333.569	2.198	50	40	EEGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(O)c1	59434247	RIPCBGWDZSFBMH-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
COc1ccccc1NC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O	409121332	XYBBMNQTJQIDPX-SXGWCWSVSA-N	330.300	2.465	50	40	EEGB	
CCn1c(SCC(=O)NNC(=O)C2CCC2)nc2ccccc21	69697473	AQVYWYDISXJEHQ-UHFFFAOYSA-N	332.429	2.096	50	40	EEGB	
CCO[C@H](C)n1nccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253408157	XDTHMJSSBKJJAH-MEBBXXQBSA-N	328.372	2.253	50	40	EEGB	
C/C(=N\NC(=O)CC#N)c1cc2cc(Br)ccc2oc1=O	13943113	MZUYJBIVZCRYAN-CAOOACKPSA-N	348.156	2.309	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	129253	SEXQBRUYWWCGQE-UHFFFAOYSA-N	343.339	2.052	50	40	EEGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1F	24975869	FDXBYTRGYGEJOF-NSHDSACASA-N	342.330	2.318	50	40	EEGB	
Cc1cccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)c1	2132126	DHDPDCHEJYBXMQ-UHFFFAOYSA-N	325.368	2.175	50	40	EEGB	
CCOC(=O)[C@H](Br)[C@@H](Br)c1cncnc1	110768836	XVFFXMMOSIGCEH-JGVFFNPUSA-N	337.999	2.239	50	40	EEGB	
O=S(=O)(c1cccc2nsnc12)N(CCCl)CCCl	4713682	KCPDDFOYTZWXGL-UHFFFAOYSA-N	340.257	2.160	50	40	EEGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1N	408995989	CJTAXEIVZNYZCN-VCHYOVAHSA-N	327.344	2.007	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1	33389376	RJTYBUMCAIWVAI-BEWREHSGSA-N	325.368	2.043	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(C#N)=C(N)[C@@]21C(=O)Nc2ccccc21	585145606	AOBDGUODJYIHJU-IBGZPJMESA-N	335.363	2.244	50	40	EEGB	
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	1688708	YKDCOJVGILKEFG-UHFFFAOYSA-N	327.189	2.063	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	492406	LXLGBIDYYRMQHE-HUUCEWRRSA-N	325.324	2.160	50	40	EEGB	
Cc1ccc(S(=O)(=O)[C@H](NC(=O)N(C)C)C(Cl)Cl)cc1	3121991	LZNDVQYNSBNKTD-NSHDSACASA-N	339.244	2.170	50	40	EEGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSc2ncccn2)c1	59503035	XPOIJWYFWZIIJL-RGVLZGJSSA-N	343.412	2.068	50	40	EEGB	
CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)(C)C)cc1	409000275	YGFXJYOLTVCKKP-YBFXNURJSA-N	333.432	2.476	50	40	EEGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc(Cl)c3)nc2n1	131942	GVMRSMJYAUYTFZ-CAOOACKPSA-N	328.763	2.158	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	36643817	IEZNNIWBGUTPRY-SXGWCWSVSA-N	344.283	2.276	50	40	EEGB	
O=C1[C@H](Cl)[C@@H](c2ccccc2)N1n1cnc2ccccc2c1=O	1632085	HLHROVPJYKTBGW-HUUCEWRRSA-N	325.755	2.223	50	40	EEGB	
N#C/C(=C\c1ccccc1S(=O)(=O)O)S(=O)(=O)c1ccccc1	1788453	BSAFGMVTLHNTMZ-GXDHUFHOSA-N	349.389	2.272	50	40	EEGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(O)cc1	20086061	UIUYILNZBJRPDZ-INIZCTEOSA-N	345.358	2.462	50	40	EEGB	
NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	38145194	QFRWWNAPNNBNFB-UHFFFAOYSA-N	330.775	2.259	50	40	EEGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NC1CCCC1	192926962	WZLORXXVJNOGRU-SSZFMOIBSA-N	325.412	2.489	50	40	EEGB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(C(=O)NN)c1	225500622	IPBIZBOZPWFPCK-UHFFFAOYSA-N	339.804	2.053	50	40	EEGB	
CCOC(=O)NNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	21771065	IWWUSTDCWGBQSU-UHFFFAOYSA-N	347.371	2.190	50	40	EEGB	
C/C(=N\NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccccc1O	13123120	FVYIRJNUFKLNNC-UWONZBIMSA-N	345.359	2.215	50	40	EEGB	
Cc1nn([C@H](C)C(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-]	252503907	VHCBDHQMLFMWLD-UXWFALKESA-N	339.352	2.320	50	40	EEGB	
COc1cc(C(=O)NNC(=O)CNc2ccc(C)cc2C)ccc1C	7961444	WLQSEBDRMJPWPS-UHFFFAOYSA-N	341.411	2.494	50	40	EEGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1	59514908	LYKIHRSPFJYNIK-YBFXNURJSA-N	338.367	2.367	50	40	EEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O)c1ccco1	59459116	UPTVLUNDJADQDX-CAOOACKPSA-N	326.268	2.206	50	40	EEGB	
NC(=O)N/N=C1\C(=O)Nc2cc(SCc3ccccc3)ccc21	43907001	GHJQQKLSZJPSCJ-UHFFFAOYSA-N	326.381	2.303	50	40	EEGB	
C=C(C)CN(CC)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	7581739	PUVJZHWJWNFNSG-GFCCVEGCSA-N	346.456	2.175	50	40	EEGB	
C/C(=N/NC(=O)CCNC(=O)c1ccccc1)c1ccccc1O	16711324	ZRHYKNKNPIBFCM-MOSHPQCFSA-N	325.368	2.053	50	40	EEGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	23382614	BPXMYHJFOHJNCK-SWEABUAFSA-N	349.390	2.335	50	40	EEGB	
C[C@@]12CC[C@@H](C3(OCCO3)C13OCCO3)[C@@]2(C)CBr	4227973	AOSQNKXTFPVICJ-UTUOFQBUSA-N	333.222	2.304	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])c1C	36247444	SOQSEJXMWABLLF-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1	9157644	AIIAOUKBIGHRGQ-UHFFFAOYSA-N	343.408	2.110	50	40	EEGB	
O=C(COc1ccc(F)cc1Cl)NNC(=O)c1cccs1	8304645	DUOQANQBBPTPBW-UHFFFAOYSA-N	328.752	2.381	50	40	EEGB	
CSc1ncc(/C=C/C(=O)NNc2ccc3c(c2)OCCO3)cn1	408528598	FMTKAXBNOMKBNK-GORDUTHDSA-N	344.396	2.126	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2ccc(C)nc2)ccc1OC(C)=O	33155054	LLBTYSVKPDGFLI-OCKHKDLRSA-N	327.340	2.088	50	40	EEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1	5632518	RLAXSJQCRHHGIH-LPYMAVHISA-N	338.411	2.146	50	40	EEGB	
CCCc1n[nH]c2c1[C@@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2	1263592	JYAQTLFCVRDSNS-IBGZPJMESA-N	349.394	2.101	50	40	EEGB	
CC/C(C)=N/NC(=O)CNC(=O)c1ccccc1Br	33558751	XBBUWQUIQLQPCW-CXUHLZMHSA-N	326.194	2.081	50	40	EEGB	
Cn1cccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	115123	GZLHKDOAVWIJSR-RCCKNPSSSA-N	333.391	2.411	50	40	EEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	562587	WAWQYDSVBCUQLK-YBFXNURJSA-N	342.351	2.098	50	40	EEGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccco2)cc1	4610825	VKNBSSLAXXGPLQ-XDHOZWIPSA-N	329.356	2.100	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	3326133	KDRWDQRWIYLJGJ-UHFFFAOYSA-N	349.730	2.332	50	40	EEGB	
COc1cc(NC(=S)NNC(=O)c2cccs2)cc(OC)c1	2782879	UZEHYNZGYPOEDC-UHFFFAOYSA-N	337.426	2.397	50	40	EEGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)N1CCOCC1	409099383	RAAGBSJDWXZYGI-PTNGSMBKSA-N	329.375	2.192	50	40	EEGB	
CC1(C)CC(=NNC(=O)[C@H]2COc3ccccc3O2)CC(C)(C)N1	36631470	AZQNBWWBUOUWEI-OAHLLOKOSA-N	331.416	2.239	50	40	EEGB	
C[C@@H]1C[C@@H](C)CN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1	26466347	PIBZUMISROWYFH-BHQQRDBZSA-N	338.411	2.124	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2	5830059	FTTSTKILMGSBSU-CLWVCHIJSA-N	336.432	2.241	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@H]2C1	19855843	HXRLDRLVUGPECD-ZWKOTPCHSA-N	344.422	2.215	50	40	EEGB	
N#C[C@H](C(=O)N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1	7096395	WEZYRRUKFMWIOE-OMNSNBSWSA-N	348.406	2.281	50	40	EEGB	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)ccc21	8375881	BQWTXGRZTXUSQP-LCYFTJDESA-N	348.362	2.128	50	40	EEGB	
CN1C(=O)N[C@H](c2cccc(N(CCCl)CCCl)c2)C1=O	1763027	YANVAAFHSOENRQ-GFCCVEGCSA-N	330.215	2.193	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1[N+](=O)[O-]	59419172	JNMOHVQHRQSBDK-VCHYOVAHSA-N	328.328	2.166	50	40	EEGB	
O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884961	BIVABAVVXUZFDY-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1	83310821	AZFKKIHPUROVHM-JMIUGGIZSA-N	340.383	2.044	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc(O)c(O)c1	90523	GSYJLNZKXBTEBE-AWEZNQCLSA-N	347.334	2.101	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	492407	LXLGBIDYYRMQHE-LSDHHAIUSA-N	325.324	2.160	50	40	EEGB	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1(C)C	57614921	QCVJKNHNIHPWPX-SWLSCSKDSA-N	330.384	2.415	50	40	EEGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333930	ZAOTZYMOECBXIK-WQLSENKSSA-N	333.185	2.456	50	40	EEGB	
Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1	4694207	MDJMFVMLARMXGM-VCDYGYSOSA-N	342.351	2.005	50	40	EEGB	
N#CC1=C(S)NC(=O)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(F)cc1	16034555	CKCOWOWSPHMETP-GJZGRUSLSA-O	326.376	2.233	50	40	EEGB	
COCc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC	372304	GRIGJNWLAPJNOL-HNNXBMFYSA-N	326.356	2.091	50	40	EEGB	
C[N+](C)(C)C/C=C(/Br)[C@@H](Br)C[N+](C)(C)C	1791436	KFHVOPGJUKKXCA-HUYFXPKMSA-N	344.135	2.441	50	40	EEGB	
O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884962	SIRJSEACPDKIFD-RQZCQDPDSA-N	346.730	2.337	50	40	EEGB	
CC(C)[C@@H]1N(C(=O)CCl)CCCN1S(=O)(=O)c1ccccc1	59354205	FFASWJAYLDFTMA-OAHLLOKOSA-N	344.864	2.131	50	40	EEGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)N1CCOCC1	408999762	VRSKZSJDNAKEKW-VBKFSLOCSA-N	336.395	2.255	50	40	EEGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)[C@H]1COc2ccccc2O1	7900041	YXVOFZIHQRBKQP-PGNNWUFWSA-N	348.362	2.162	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccccc2C(=O)O)cccc1[N+](=O)[O-]	408787165	SSRILCFQDCJOJI-RQZCQDPDSA-N	327.296	2.365	50	40	EEGB	
CC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(B(O)O)cc1	170013129	AWCWBSNNIDOTJR-UHFFFAOYSA-N	327.189	2.308	50	40	EEGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)[C@H]1OCCc2ccccc21	32655527	GIDXDQLEQSHANC-GYXHFJGISA-N	325.324	2.359	50	40	EEGB	
O=C(N/N=C/c1ccncc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	72362	MPYGUNIVOFEYMB-VCHYOVAHSA-N	336.311	2.144	50	40	EEGB	
O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1ccc(Cl)cc1	5945183	SLVPPIJBKLCFGH-BQYQJAHWSA-N	349.799	2.282	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	5377296	GRXMDOUBDISPKK-FYJGNVAPSA-N	337.379	2.018	50	40	EEGB	
O=C(O)[C@H]1C=C(OC(F)(F)F)C=C[C@H]1I	95611628	JKBGIHVWNUPMNQ-NTSWFWBYSA-N	334.031	2.481	50	40	EEGB	
CN(C)C[C@]1(C=O)CC[C@@H](Br)[C@H](Br)C1	4962520	NKMVPQUAEQLEAN-BBBLOLIVSA-N	327.060	2.444	50	40	EEGB	
C[C@H](Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	3887852	MUMXHEHIKUEIDC-NSHDSACASA-N	330.837	2.427	50	40	EEGB	
COc1cccc(C(=O)NNC(=S)NCCCc2ccccc2)c1	408587385	UPBAKOIEYNLSQS-UHFFFAOYSA-N	343.452	2.437	50	40	EEGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc2[nH]cnc2c1	12525261	WHTKJRDUJHWEHO-UHFFFAOYSA-N	344.758	2.056	50	40	EEGB	
COc1cc(/C=N/NC(=O)CCN2CCCCC2)cc(OC)c1OC	5447194	IJONLHBRTGVBSB-CPNJWEJPSA-N	349.431	2.039	50	40	EEGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1O	3060050	UWMNFVIFRLPQAS-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1OC	510839	POVBCDCVTFLOIP-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1	1430755	UDWRIEDMCFNEKH-SNVBAGLBSA-N	329.360	2.138	50	40	EEGB	
COCCCNC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	96663369	FVQNZDZOHJEBCJ-GHXNOFRVSA-N	338.791	2.417	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2	5830077	FTTSTKILMGSBSU-VRKREXBASA-N	336.432	2.241	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2ccccc2F)cc1	3483469	SPSVYMGFYCNXIF-UHFFFAOYSA-N	330.359	2.157	50	40	EEGB	
CC(C)CNC(=O)CC(=O)N/N=C/c1cccc(Br)c1	59367552	WPZINCIBQDCADB-RQZCQDPDSA-N	340.221	2.062	50	40	EEGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccc(Cl)cc1	12902396	MOXYPRIWLVKQKQ-FXBPSFAMSA-N	341.754	2.431	50	40	EEGB	
O=C(NNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccco1	12934780	GLHSJIGNRKKCQK-UHFFFAOYSA-N	336.351	2.418	50	40	EEGB	
N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)CC(=O)c1ccc(Cl)cc1	4816118	IYAGEMXJKIIFOC-QGZVFWFLSA-N	338.754	2.272	50	40	EEGB	
Cc1cccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1C	408925795	QABCSQUCLMELKF-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
NNC(=O)Cc1ccc(NC(=O)c2ccccc2Br)cc1	225315587	GSVQGCUYVYSRDK-UHFFFAOYSA-N	348.200	2.234	50	40	EEGB	
C[C@@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)CC1	102109512	NWQPHBSLQIUSBP-MIKWNVPKSA-N	338.411	2.268	50	40	EEGB	
CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21	223740165	FODMWDBLJNZXGZ-LGMDPLHJSA-N	337.832	2.278	50	40	EEGB	
CCN1C(=O)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21	100559970	OHDFZSBFESPHKJ-SDXDJHTJSA-N	338.323	2.095	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccccc1Cl	7386252	HTHZHMMHLPUNKK-UHFFFAOYSA-N	328.752	2.102	50	40	EEGB	
O=C(NNC(=S)Nc1ccc(F)cc1F)c1cc(O)ccc1F	1616040575	OSBPEWOCYIMUOC-UHFFFAOYSA-N	341.314	2.441	50	40	EEGB	
COC(=O)C[C@H](NC(=O)CCl)c1cccc(Br)c1	1616032782	IBWZHJUUULUCRC-JTQLQIEISA-N	334.597	2.408	50	40	EEGB	
O=C(N/N=C1/SCC(=O)N1Cc1ccco1)c1ccccc1F	1361599	SPBXDUXPFCVWCZ-OBGWFSINSA-N	333.344	2.195	50	40	EEGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccco2)c(C)c1	1894988	QOYCUAPYBHKFOR-UHFFFAOYSA-N	329.356	2.076	50	40	EEGB	
C/C(=N\NC(=O)CC#N)c1cccc(I)c1	20249068	CTJXZMJLGGCOLV-RIYZIHGNSA-N	327.125	2.045	50	40	EEGB	
CC(C)=NNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O	408784275	AIAXWRGZMXYAFA-UHFFFAOYSA-N	325.434	2.088	50	40	EEGB	
CCCC(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839322	DGGKPPVGJKJNAQ-UHFFFAOYSA-N	347.802	2.111	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1OC	8169073	IMCLOJDKQPHOCM-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2O)cc1	102415183	OJPRENUORPQTFW-XDHOZWIPSA-N	344.367	2.329	50	40	EEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Cl)cc1	536655	ASLPPUITGCHKBN-CYBMUJFWSA-N	330.727	2.004	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(OC)cccc2OC)c1	408972692	UTGFGQARCISPBT-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(O)cc1	3131921	BAQUMFLQQVMQHX-VCHYOVAHSA-N	343.408	2.214	50	40	EEGB	
Cc1noc2ncc(C(=O)NNC(=O)Cc3ccc(Cl)cc3)cc12	30920829	MYWYXNXDPSFSPP-UHFFFAOYSA-N	344.758	2.188	50	40	EEGB	
Cn1cccc1CC(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	3192673	DBICUMLQVBCQGS-UHFFFAOYSA-N	340.305	2.439	50	40	EEGB	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNC(=O)c1ccco1	7959977	ZUOQSRQRFFUJRH-UHFFFAOYSA-N	332.404	2.143	50	40	EEGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1Cl	408854632	AKTQRMIECRSNPS-LSCVHKIXSA-N	348.742	2.273	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	227105755	RUIDLYFNTFIYMC-OIISXLGYSA-N	335.436	2.492	50	40	EEGB	
COCCNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	5526503	LNOZCEFHDQIKRD-LPYMAVHISA-N	349.390	2.206	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	377498	RUIDLYFNTFIYMC-DJIMGWMZSA-N	335.436	2.492	50	40	EEGB	
CC(C)(C)C(=O)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1	77219957	NCASLMGLXIZWKI-UHFFFAOYSA-N	344.415	2.238	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1	59433198	LKJXUUWEOMRPPT-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl	575419806	ZVLZOZMTHUYWRZ-LBPRGKRZSA-N	335.187	2.370	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1	46991	ZWGGYYAXKYHWNW-PUMYGXPMSA-N	326.352	2.311	50	40	EEGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(-n2cnnn2)c1	5494674	BUMAKZDKQUPMJR-YBFXNURJSA-N	340.774	2.470	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)Cc2cccc3cccnc23)cc1	32909678	ZBZGBTPHMYBFSC-UHFFFAOYSA-N	349.390	2.176	50	40	EEGB	
Cn1/c(=N\NC(=O)COc2ccccc2C#N)sc2ccccc21	104923890	IEYYJWAUUTZZJV-LVZFUZTISA-N	338.392	2.122	50	40	EEGB	
O=S1(=O)CC[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21	105105008	XZWWZQICRWKCLV-VGRMVHKJSA-N	332.057	2.111	50	40	EEGB	
COc1cc(/C=C(\C#N)[C@H](N)C(C#N)C#N)cc(Br)c1O	17072205	PDEIKDRQQZSUDI-GNHXZDARSA-N	347.172	2.061	50	40	EEGB	
COCCNC(=O)/C(C#N)=C\c1ccc(OCc2cccnc2)cc1	97015688	UGOIEMTYKVSHRC-BOPFTXTBSA-N	337.379	2.330	50	40	EEGB	
COc1ccc([C@@H]2[C@H]3CN(C)CC[C@H]3C(C#N)=C(N)C2(C#N)C#N)cc1	254617708	URHXXNDPZXGTAG-RYQLBKOJSA-N	347.422	2.130	50	40	EEGB	
CC1=C(C#N)C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(C#N)=C(C)N1	19681236	UJTOAJUGPFQEQH-UHFFFAOYSA-N	341.283	2.491	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)CCn2nc(C)cc2C)ccc1O	502029	YJCDWOHYNJBXOD-WOJGMQOQSA-N	330.388	2.145	50	40	EEGB	
CCc1cccc2c(C=C(C#N)C#N)cn(CC(=O)N3CCOCC3)c12	798081	SOZPFWXLTMCTHW-UHFFFAOYSA-N	348.406	2.493	50	40	EEGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)Cc1noc2ccccc12	26536442	JHAKZHBJIJSDCR-UHFFFAOYSA-N	348.362	2.242	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCCO2	344822	DJQOEJDFDAAQDA-OVCLIPMQSA-N	333.325	2.191	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	4405596	AGGUKUBSYPBQSJ-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
CN1C(=O)/C(=C(/C#N)C(=O)NCCc2ccccc2)c2ccccc21	15879601	MGRQXSQSTAZQMZ-VLGSPTGOSA-N	331.375	2.299	50	40	EEGB	
CCOC(=O)NNC(=O)c1cnn(-c2ccccc2C)c1C1CC1	29760530	BHLQNEXIGCXBBV-UHFFFAOYSA-N	328.372	2.449	50	40	EEGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(O)c(OC)c2)cc1	408711603	BFCKEPLVFQUENL-UNOMPAQXSA-N	328.368	2.492	50	40	EEGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)OC2=O	222189550	OTWRGWSKJQRMNC-JMOVZRAMSA-N	340.011	2.262	50	40	EEGB	
Cc1csc2nc(-c3ccccc3)c(/C=N\NC(=O)CN(C)C)n12	8652827	DDRJXOZJRMQGDP-NVMNQCDNSA-N	341.440	2.383	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1	6473155	NRZUURWJVJRUTI-YBFXNURJSA-N	336.351	2.086	50	40	EEGB	
Cc1nn(CCC(=O)N2CCSSCC2)c(C)c1[N+](=O)[O-]	89512690	VFDMDGHYFKRNED-UHFFFAOYSA-N	330.435	2.022	50	40	EEGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC(N)=O)o1	409242470	NUOFGSVGBSLMNT-POHAHGRESA-N	340.295	2.265	50	40	EEGB	
CCOC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@@H]1c1ccco1	97125354	HXVJPUQNFSHKIF-CQSZACIVSA-N	348.380	2.356	50	40	EEGB	
NNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1Cl	510308	LMAOVBWUPHSHBR-NTEUORMPSA-N	333.750	2.240	50	40	EEGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(C)o1	5747325	MOZRNMIHOAUPST-LZYBPNLTSA-N	333.300	2.277	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)CCS(C)(=O)=O)C1	585125471	UHILZANNFSYFLA-ZDUSSCGKSA-N	349.569	2.434	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	59449430	IDUPBUMFBGRDFS-UHFFFAOYSA-N	346.368	2.235	50	40	EEGB	
CCOC(=O)[C@@H](C)/C(C)=N/NC(=O)c1ccc(NC(=O)CC)cc1	4394112	XWKNVTZOAZMVFF-QMDUKARKSA-N	333.388	2.340	50	40	EEGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccccc2)c1O	4454797	DKVUOXCCHGSZEJ-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
COc1cccc(OCCOc2ccc(/C=N/NC(N)=O)cc2)c1	4600407	WQMJRDHXSBRGRZ-XDHOZWIPSA-N	329.356	2.155	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(N(C)C)cc2)n1	30743079	XIMJIOSLUATJTJ-ZDLGFXPLSA-N	343.456	2.402	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OCC	313845	QWBYIFKFBMRIBP-CPNJWEJPSA-N	333.432	2.420	50	40	EEGB	
CC(C)(C)OC(=O)NNC(=O)COc1ccc(Br)cc1	17398564	SZXVYVAZJYUNMN-UHFFFAOYSA-N	345.193	2.384	50	40	EEGB	
N#CCOc1ccc(/C=N/NC(=O)CN2CCc3ccccc3C2)cc1	6283425	ZGBLDLBGWAHFRC-LPYMAVHISA-N	348.406	2.097	50	40	EEGB	
Cc1ccc(NC(=S)NNC(=O)c2csnn2)c(Cl)c1	1775969115	YASMCQGLLNDIDI-UHFFFAOYSA-N	327.822	2.131	50	40	EEGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1[N+](=O)[O-]	6182329	HQKDMYYCBCXHMQ-KPKJPENVSA-N	327.296	2.420	50	40	EEGB	
CCc1nc(SCC(=O)NNC(C)=O)c2c(C)c(C)sc2n1	1372147	ZSAHWXJOQZXHNI-UHFFFAOYSA-N	338.458	2.130	50	40	EEGB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)C1	3368006	QISXHKGQKNAMES-ZDUSSCGKSA-N	330.413	2.450	50	40	EEGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2C(=O)NC3=O)cc1	7813504	ZFXCHOIBSXBIDH-FMIVXFBMSA-N	347.330	2.124	50	40	EEGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccc(S(=O)(=O)O)cc1	1601406	DPDWKEINHZZUHO-WOJGMQOQSA-N	344.392	2.186	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	261317	XPSKEKVSIMXIHM-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
Cc1cccc(C(=O)NNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	146532	FVPQXTMEYYRBSK-CMDGGOBGSA-N	325.324	2.378	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(C)s2)cc1	536403	ZHTZPDIXNNTIBM-OQLLNIDSSA-N	336.442	2.488	50	40	EEGB	
C[C@@H](CC(=O)ON1C(=O)CCC1=O)SSc1ccccn1	111442665	VQZYZXLBKBUOHE-VIFPVBQESA-N	326.399	2.208	50	40	EEGB	in-vitro
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](Cc3ccccc3)[C@@H]2C1	5408707	RSQBDANEMJIELQ-QZTJIDSGSA-N	329.407	2.117	50	40	EEGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	5494654	PLZDGOFSETXVJP-WOJGMQOQSA-N	344.375	2.290	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1	5527605	FLWQZGBEGGZTOF-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)C(C#N)=C(N)N1	3961775	SAPUAFCWSGOABQ-OAHLLOKOSA-N	340.408	2.017	50	40	EEGB	
COc1c(C/C=N/NC(=O)c2cccs2)cc2c(c1OC)OCO2	12418005	QVZIMYNIQJDAJO-UBKPWBPPSA-N	348.380	2.452	50	40	EEGB	
O=C(CBr)c1ccc(S(=O)(=O)N2CCCCC2)cc1	3416058	GGASFYUIEFYFCE-UHFFFAOYSA-N	346.246	2.439	50	40	EEGB	
O=C1NN=C[C@@H]1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	100948852	VZUQZJCAWQRGEU-YEWRBRKMSA-N	330.347	2.175	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2ccccc2OC)cc1	3483412	YACKSSXGBDGKCO-UHFFFAOYSA-N	342.395	2.027	50	40	EEGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1C(F)(F)F	4838945	SQGJERYHKAQMIO-DNTJNYDQSA-N	339.273	2.065	50	40	EEGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1	59334131	NPZGSOBULYWQSJ-OQFOIZHKSA-N	343.166	2.452	50	40	EEGB	
COc1ccc2[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)cc2c1	2241008	KHJSVZOIVVERSC-GIJQJNRQSA-N	325.324	2.352	50	40	EEGB	
O=C(NNC(=O)c1cccnc1O)c1cc(Cl)ccc1Cl	12941047	YHSXDBREMQWBHB-UHFFFAOYSA-N	326.139	2.169	50	40	EEGB	
CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc(C(=O)NC)c1C	62132635	OXDCRYUJRMECCU-ZETCQYMHSA-N	332.809	2.159	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)C1=COCCO1	9604143	VHTBNTSOKHFCJU-UHFFFAOYSA-N	336.413	2.056	50	40	EEGB	
O=C1C=C(NNC(=O)COc2ccccc2)C[C@@H](c2ccco2)C1	408751563	YRMOWFQQRBLSNK-CYBMUJFWSA-N	326.352	2.310	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-]	409044282	BNKXIBIPMBYRAF-LZYBPNLTSA-N	344.283	2.281	50	40	EEGB	
O=C(CN1CSCC1=O)NN(Cc1ccccc1)c1ccccc1	32255799	WJODSCDCRVUDQS-UHFFFAOYSA-N	341.436	2.257	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccccc1F	3547497	ZYFSFBIBYTVYFC-UHFFFAOYSA-N	336.750	2.491	50	40	EEGB	
CCOC(=O)[C@H](CS)NC(=O)c1ccc(CBr)cc1	68606000	OWLXLTSZZHELSG-NSHDSACASA-N	346.246	2.173	50	40	EEGB	
C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1	409138402	BGBGXZDRVRYFGU-QGOAFFKASA-N	345.424	2.236	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)c1	33828684	GMGAEUZCLHMDSC-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
Cc1c(Br)c(C(=O)N/N=C/c2ccc(F)s2)nn1C	252479642	BJCIOUXNOLFKAZ-LHHJGKSTSA-N	345.197	2.456	50	40	EEGB	
CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccccc1	104388270	XNJCNYAODYHPGB-QBFSEMIESA-N	327.413	2.382	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	261312	QLYCWARXMXOREA-XDHOZWIPSA-N	327.384	2.290	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)Cc2cc(C)ccc2OC)cc1	14171306	RDFWDNNLMXDOSS-UHFFFAOYSA-N	328.368	2.016	50	40	EEGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccccc1Cl	4578028	GZINHKYBFUOPJP-XDVRNAMESA-N	341.798	2.320	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC	561501	ALKMESQIKMXTFP-MIQLPHMESA-N	328.368	2.278	50	40	EEGB	
O=C(N/N=C/c1ccccc1O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	342922	DYMLDASAQZZVCF-RNDVCUHJSA-N	341.342	2.035	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)/C=C/c2ccc(F)cc2)c1	6317336	CKDCXKFYIDSBLE-JXMROGBWSA-N	328.343	2.374	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1OC	12999922	JVFRJMHZCXKHKY-UHFFFAOYSA-N	348.786	2.361	50	40	EEGB	
CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1CC(=O)OCc1ccccc1	97950104	GJNIFFYBNHLKPT-LBPRGKRZSA-N	349.339	2.402	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)c1	3127162	MHHIFRNZJIEOKV-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c1	59515921	NACWXNSBWJDWKR-UNOMPAQXSA-N	328.368	2.405	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1	3008773	YALFPFULEMHLOP-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
CCCC(O)(CCC)C(=O)N/N=C1\C(=O)N(CC)c2ccccc21	100793436	IYDZTUVODBZXNV-CYVLTUHYSA-N	331.416	2.205	50	40	EEGB	
COc1ccc(S[C@@H](C)C(=O)NNc2nccc(OC)n2)cc1	48252426	LBECLMUGUKFNMF-JTQLQIEISA-N	334.401	2.118	50	40	EEGB	
Cc1ccccc1CN(C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1	8328579	VYFLGYSLGOCCDH-AWEZNQCLSA-N	343.402	2.416	50	40	EEGB	
Cc1c(Cl)cccc1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1	40177558	IRJFJWHBEHDXJG-SNVBAGLBSA-N	336.240	2.407	50	40	EEGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)C(C)(C)C	19954583	SUVFVUYDPGHEIG-GHRIWEEISA-N	339.461	2.299	50	40	EEGB	
COCC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	4142681	JNHJTIVQZDZSRW-CYBMUJFWSA-N	334.759	2.221	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)C1CCCCC1	6147558	FQOKFQMVVDEFIC-MRXNPFEDSA-N	334.372	2.074	50	40	EEGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cc1ccccc1	3383765	NCZFYKGCGGJFIR-XDHOZWIPSA-N	328.368	2.405	50	40	EEGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)NCCCOC)O[C@@H](C)C2	5070201	NBWCFYBXIDBKGO-WFSQQTBHSA-N	344.411	2.468	50	40	EEGB	
Cc1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)n1	408723519	YAAYFFDPHGPXCW-YBFXNURJSA-N	335.367	2.354	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1	5601572	CAPZQQMBLBZNIE-UHFFFAOYSA-N	326.377	2.463	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)COc1ccc(C(F)(F)F)cc1	40549727	SDFBRRCLQYRKHS-UHFFFAOYSA-N	342.273	2.447	50	40	EEGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1c1cccs1	3886820	IKBCZZXKROFYMW-JTQLQIEISA-N	345.218	2.314	50	40	EEGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(O)cc1O	545876	SPISVIMODGWCIX-YBFXNURJSA-N	325.368	2.001	50	40	EEGB	
O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1	358612	GYBYESISOATIHE-UHFFFAOYSA-N	341.342	2.249	50	40	EEGB	
O=[N+]([O-])c1ccc(OCCCI)cc1CO	2386943	GNERSTKDYGSZNN-UHFFFAOYSA-N	337.113	2.291	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2cc(C)nc3c2cnn3C(C)C)n1	36652181	AXNXTEKROYSVQV-UHFFFAOYSA-N	339.403	2.484	50	40	EEGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccco1	7519659	OQZSEUPPHJQOKU-UHFFFAOYSA-N	335.168	2.210	50	40	EEGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1O	409243341	XWKGWEJKAGDDDD-NVMNQCDNSA-N	347.302	2.141	50	40	EEGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1OC	409248876	HPCHQAPNQNCEBQ-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
O=C(N/N=C/c1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1	408867419	JZHLYHYGLXOQMQ-LICLKQGHSA-N	327.296	2.130	50	40	EEGB	
COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1	5838445	SHZUIMLRNWAUEX-IRXDYDNUSA-N	344.798	2.460	50	40	EEGB	
Nc1nc(SCC(=O)NN(c2ccccc2)c2ccccc2)n[nH]1	12488891	PCAFYBKPGXXGTG-UHFFFAOYSA-N	340.412	2.349	50	40	EEGB	
Cc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)o1	3286175	UOHISZVNNUCENY-XDHOZWIPSA-N	327.384	2.497	50	40	EEGB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	16033480	OGYYZPWGOHFENO-AINDZBIGSA-N	345.399	2.478	50	40	EEGB	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCN(c2ncccn2)C1	69384458	MNBROGSRORTRLU-LLVKDONJSA-N	333.342	2.115	50	40	EEGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccn1	408725859	ITILKIQINZAFLH-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	409186830	IJKVNUGYXBRCLE-RGVLZGJSSA-N	341.367	2.176	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)cc1	478012	YMEGRXVLCSKGPZ-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1	3178030	SJMNWWVEGNQUBT-XDHOZWIPSA-N	325.368	2.346	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1O	7813068	ZLAIURWYNBQMPS-YBFXNURJSA-N	341.367	2.188	50	40	EEGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cccc(Cl)c2)C1=O	13625347	PDOQACZUPAADQM-GDNBJRDFSA-N	345.786	2.491	50	40	EEGB	
N#C/C(=C/Nc1cccc(OC(F)(F)C(F)F)c1)c1nn[nH]n1	6756491	DFTQRBSIROYZJC-SREVYHEPSA-N	328.229	2.413	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc(O)cc1	5819022	VMENAWCAOXHQLJ-CQSZACIVSA-N	331.335	2.395	50	40	EEGB	
NC(=O)COc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1	408905112	TWBVFEBKTXTLQV-OCKHKDLRSA-N	346.774	2.360	50	40	EEGB	
CCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OC	3570173	RNHSDNWFYAAEIF-RUDMXATFSA-N	325.162	2.249	50	40	EEGB	
CC/C(=N\NC(=O)CNC(=O)/C=C/c1ccco1)c1ccccc1	4587425	KKJCTLPPKRJZDC-CMHBETPVSA-N	325.368	2.340	50	40	EEGB	
C#CCOc1cccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1	8811034	JKFABTYALZTCHZ-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
CC(C)C(=O)NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	14246905	AKURNIGJNOUUDM-UHFFFAOYSA-N	344.742	2.324	50	40	EEGB	
COC[C@H](C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	97990714	JBSQNORQBNEPEW-IUIMMGEKSA-N	338.791	2.415	50	40	EEGB	
O=C(COc1cccc(Cl)c1)NNC(=S)NCc1ccccc1	15873092	HQTXANQZZYUMPA-UHFFFAOYSA-N	349.843	2.414	50	40	EEGB	
N#C/C(=C/Nc1ccccc1I)C(N)=S	100423178	BOPWGOTWLNPYKT-SREVYHEPSA-N	329.166	2.397	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CN(C)Cc1csc(Br)c1	101395170	DJDGUIDUFATNDG-NTMALXAHSA-N	328.235	2.268	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2OC)cc1	1877566	ZHJNZUVPKDYJKB-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccs1	1834533	WGSWCSFWDYDMLW-DJKKODMXSA-N	340.408	2.418	50	40	EEGB	
CCOc1ccc(NC(=O)CCl)cc1S(=O)(=O)N(CC)CC	9428903	SMKGFFVSELERLZ-UHFFFAOYSA-N	348.852	2.293	50	40	EEGB	
O=C(COc1ccccc1O)NNC(=O)C12CC3CC(CC(C3)C1)C2	95947967	QHFXETWOSSHGCO-UHFFFAOYSA-N	344.411	2.135	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	16681646	RUIDLYFNTFIYMC-UAGQMJEPSA-N	335.436	2.492	50	40	EEGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	59959928	UWMLYBJOLJZPIS-DEDYPNTBSA-N	340.427	2.413	50	40	EEGB	
Cc1c(Cl)cccc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	40177559	IRJFJWHBEHDXJG-JTQLQIEISA-N	336.240	2.407	50	40	EEGB	
Cc1cc(NC(=O)N=C(C(Cl)Cl)N2CCSCC2)no1	575318927	JFZOYIBSPDSAJF-UHFFFAOYSA-N	337.232	2.766	50	40	EEGB	
COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1	1633499	FGVCQTXATMPVLT-CABCVRRESA-N	346.770	2.237	50	40	EEGB	
Cc1sc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c(C(=O)O)c1C	4739643	AHWOIEXGXSTQIB-UBKPWBPPSA-N	334.401	2.473	50	40	EEGB	
CCOC(=O)/C(C#N)=C\c1c[nH]c(=O)c(C#N)c1Nc1ccccc1	5781501	CQPBMRRLVNQLPQ-WQLSENKSSA-N	334.335	2.460	50	40	EEGB	
C[C@H](Oc1ccc(/C=N\NC(=O)c2ccccc2O)cc1)C(=O)O	408847641	QUPQQNTXTJTQCF-TZQXVGBESA-N	328.324	2.008	50	40	EEGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccncc2)c1	409100929	XHFWTAYHCWGJNP-UDWIEESQSA-N	334.335	2.334	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cccc([N+](=O)[O-])c1O	36011585	RYAHIRRRMIHOIW-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
O=C(NCCCBr)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3852459	FBQQGCJIDDKUCK-UHFFFAOYSA-N	332.110	2.018	50	40	EEGB	biogenic
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3O)CC2=O)cc1	327481	LWWGDOBOTZXJPC-PZUDMAOCSA-N	337.379	2.204	50	40	EEGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3oc(C)cc(=O)c32)c1OC	125742	MAGLJKJAOBTKBK-CQSZACIVSA-N	340.335	2.184	50	40	EEGB	
CCOc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCC1	4218534	VBJNGCSGCLDDTJ-UHFFFAOYSA-N	346.836	2.047	50	40	EEGB	
CCc1cccc(C)c1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	217378879	XIOKMQYXNGLVMZ-ZDUSSCGKSA-N	329.849	2.316	50	40	EEGB	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)=C(Cl)Cl	2387785	LKJFYTJCKNKGQA-UHFFFAOYSA-N	338.534	2.241	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)cc1	3096353	SGRKVHPGPVBDCI-XDHOZWIPSA-N	341.367	2.183	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)Cc2c(C)nn(CC(C)C)c2C)n1	22235382	AUZBOAPEUSFEGQ-UHFFFAOYSA-N	330.436	2.249	50	40	EEGB	
N#CCC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	4712080	KEKIDAYUAVUUAH-UHFFFAOYSA-N	325.284	2.146	50	40	EEGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccccc2F)cc1	59516233	VNAWSUINJIHDQQ-ZICWZVMQSA-N	343.358	2.162	50	40	EEGB	
COc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccc(Cl)c1	59472663	YXHUPCIVUJTZSJ-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)nc1	9217716	JZRJVQHCKGQDFD-UHFFFAOYSA-N	328.759	2.220	50	40	EEGB	
CSc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1	6785561	GEENUBNUVGYUOV-LICLKQGHSA-N	338.396	2.148	50	40	EEGB	
O=C(NNC(=O)c1cc(Br)ccc1F)c1ccco1	8354930	DBLAMBRWEKLEMN-UHFFFAOYSA-N	327.109	2.256	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccc(F)cc2)sc2ncnc(N)c12	408974451	ZYWSZIDDFMVBBQ-CGOBSMCZSA-N	329.360	2.485	50	40	EEGB	
CCc1nnc(NNC(=O)C(c2ccccc2)c2ccccc2)nc1O	28561617	GCAOITMQJHBPMC-UHFFFAOYSA-N	349.394	2.415	50	40	EEGB	
CN(C)c1oc(/C=N/NC(=O)c2ccncc2)cc1Br	408863792	QBNHCJKGLGYTFE-LZYBPNLTSA-N	337.177	2.267	50	40	EEGB	
COc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	408871820	ZYHOIPLBUJIGGF-SXGWCWSVSA-N	344.283	2.276	50	40	EEGB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NNC(=O)c1ccncc1	569222	NUHGHVQLVVVKFE-DUXPYHPUSA-N	346.730	2.118	50	40	EEGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1	6327984	NUPYYZFCZHTSPY-RGVLZGJSSA-N	341.367	2.176	50	40	EEGB	
COC(=O)c1ccc(N/C=C(/C#N)C(=O)NCc2ccco2)cc1	101192735	ICPRLPLOYFMYSY-RAXLEYEMSA-N	325.324	2.202	50	40	EEGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1C	408905373	XZMBCFQCTFIBGB-JMIUGGIZSA-N	340.383	2.323	50	40	EEGB	
COc1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1OC	408729023	BUVDPIAXAQAFJB-UHFFFAOYSA-N	344.396	2.292	50	40	EEGB	
CC1(C)CC(=NNC(=O)[C@@H]2COc3ccccc3O2)CC(C)(C)N1	36631469	AZQNBWWBUOUWEI-HNNXBMFYSA-N	331.416	2.239	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1[N+](=O)[O-]	5725382	XGHVGGDLCSRUJW-VCHYOVAHSA-N	328.328	2.340	50	40	EEGB	
C/C(=N\NC(=O)C[N+](C)(C)C)c1sc(-c2cccnc2)nc1C	5809949	YPGLNFFYTIHCTP-XDHOZWIPSA-O	332.453	2.060	50	40	EEGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)NC4CCCCC4)[C@@H]13)[C@H]2Br	102604970	QLBNPROECXKSMD-HKLHZYFVSA-N	342.233	2.006	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COc1ccccc1	3517922	MCMBFIJCWNLCDZ-UHFFFAOYSA-N	334.759	2.189	50	40	EEGB	
O=C(CCCc1cccs1)NNC(=O)COc1ccccc1F	8350416	AJEIMWCILIZWAJ-UHFFFAOYSA-N	336.388	2.436	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1OC	409147230	XEYZHSFVBGZWGX-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1	409139026	LKOSSMUGIFMLKC-NDENLUEZSA-N	343.358	2.132	50	40	EEGB	
Cc1cccc(OCCCCC(=O)NNC(=O)c2ccc(O)nc2)c1	585127575	DOPAJSKJOAFXHJ-UHFFFAOYSA-N	343.383	2.106	50	40	EEGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\n2ccc(=O)[nH]c2=S)cc1	1637475	SIYZOTDATKPZIT-XFXZXTDPSA-N	333.394	2.010	50	40	EEGB	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc2c(c1Cl)OCO2	499425	PDDPHJXTFYLUFB-UHFFFAOYSA-N	332.772	2.287	50	40	EEGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)NCc2ccccn2)CC1	59435587	NISNWIAVOUQKQG-UHFFFAOYSA-N	330.432	2.406	50	40	EEGB	
CCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	210987462	RZASXOPISSLRGF-UNOMPAQXSA-N	325.368	2.346	50	40	EEGB	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)CNc1ccccc1F	7785458	KDWIOAXXDVQVSE-WCQYABFASA-N	338.452	2.312	50	40	EEGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccc(O)c1	409066518	NHEPOZNMHDJKIN-MOSHPQCFSA-N	339.395	2.301	50	40	EEGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1C	409178213	FPSHPNIGGNFYLX-RGVLZGJSSA-N	340.379	2.460	50	40	EEGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1[N+](=O)[O-]	409228879	GMXGUXYVEOZQAP-ZDLGFXPLSA-N	331.303	2.435	50	40	EEGB	
O=C(NNC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccccn1	40512445	QHYGJCBSMMSUKJ-UHFFFAOYSA-N	342.742	2.465	50	40	EEGB	
Cn1/c(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)sc2ccccc21	103050300	MONFJKLEJJNYED-BMRADRMJSA-N	328.353	2.394	50	40	EEGB	
ClCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1	5274370	SOYZPLYUXXPWID-UHFFFAOYSA-N	325.844	2.470	50	40	EEGB	
COCCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OC	409207408	ULSBPUKRILJQQM-LDADJPATSA-N	348.424	2.475	50	40	EEGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)NC1CCCC1	409192122	APUWUVBTJQXPSS-YHYXMXQVSA-N	346.299	2.174	50	40	EEGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1	54801	QOKPVIUERRYVKY-UHFFFAOYSA-N	335.703	2.029	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1	3068660	FXINZYKYDVTOGK-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CC(=O)Nc1cccc([C@H](C)NC(=O)NNC(=O)c2cccs2)c1	26378679	ZYTQEHLRLYJCDN-JTQLQIEISA-N	346.412	2.412	50	40	EEGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(C(=O)O)c1	408543621	PKZBDYPUBJKCCN-YFHOEESVSA-N	327.252	2.432	50	40	EEGB	
CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)N2	8382921	HSECVGUAJKCHOV-JTQLQIEISA-N	345.815	2.396	50	40	EEGB	
CCCCc1nc2c(o1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	8783364	JDGYCHMLDPFLGH-SFHVURJKSA-N	335.367	2.375	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1	5847960	UJLRESGGFWSNPI-QXSJWSMHSA-N	342.395	2.094	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@H]([C@@H]42)[C@@]3(Br)C12OCCO2	239562976	NWTOYPBJWGMJPX-QBQRYHDTSA-N	348.034	2.010	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1	988966	HMHOHNATOAWTIG-ZWKOTPCHSA-N	344.422	2.217	50	40	EEGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1cc(Cl)cc(Cl)c1	408969529	PJLXXBAVWPXWOY-QGMBQPNBSA-N	337.166	2.477	50	40	EEGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccs1	408974154	VZKXENOFIVBEHT-YFEUJDIGSA-N	327.409	2.214	50	40	EEGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1	58883436	IIHCINASCTYQBL-WSDLNYQXSA-N	338.411	2.146	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)CNC(=O)c2ccc3ccccc3c2)n1	11334391	GNWKKKRGLGGWCD-UHFFFAOYSA-N	349.394	2.120	50	40	EEGB	
O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1cnccn1	73420941	HMNOZLYFSWLPGN-UHFFFAOYSA-N	346.346	2.380	50	40	EEGB	
COC(=O)c1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1	12113045	JAXIBOVUUACEQL-JTQLQIEISA-N	328.777	2.145	50	40	EEGB	
CCOc1ccccc1C(=O)NNC(=O)COc1ccc(CC)cc1	12784915	IVPZTOCCSHNPLA-UHFFFAOYSA-N	342.395	2.488	50	40	EEGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1	59505950	YFAVUIGFDTWIKH-UDWIEESQSA-N	329.787	2.149	50	40	EEGB	
COc1ccc(/C=C(\C#N)C(N)=O)cc1Oc1nc(Cl)ncc1F	409007898	RNHIWACMJGQSBB-RUDMXATFSA-N	348.721	2.462	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	5903864	WBIFNPOSYWWBGU-UHFFFAOYSA-N	336.351	2.121	50	40	EEGB	
CCc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	5477258	VUZUGKOPOFHWCP-XDHOZWIPSA-N	325.368	2.346	50	40	EEGB	
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1csnn1	1775968694	LLGHUUZPCPPTNP-UHFFFAOYSA-N	347.347	2.188	50	40	EEGB	
O=C(N/N=C\c1ccc(O)cc1O)c1cncc(Br)c1	13582251	LGECVZPTRZSPPN-SOFYXZRVSA-N	336.145	2.019	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cn(C)c(=S)n2C)c1	226794729	GMYJJRREVNLDMJ-CAOOACKPSA-N	332.429	2.239	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	223114	NILLSWIZNNUOOB-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(C)nc2)cc1	22412658	PLWLWNAVXFTDMP-UHFFFAOYSA-N	326.400	2.311	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1O	59447303	OFYSMUKMVNQKTK-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	5488769	RUBWMWXAKBDPHG-HOCLYGCPSA-N	335.436	2.493	50	40	EEGB	
O=C(Cc1ccc(F)cc1)NN[C@H](C(=O)NC1CC1)c1ccccc1	8881790	MOCQQEDRXWVFBO-SFHVURJKSA-N	341.386	2.009	50	40	EEGB	
C/C(=N\NC(=O)Cc1nc(C)cs1)c1ccc2c(c1)CC(=O)N2	98054891	BAUUMXFZLCXHPS-VXLYETTFSA-N	328.397	2.029	50	40	EEGB	
Cn1c(NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O	30822975	YHDPEWHARCMKII-UHFFFAOYSA-N	328.759	2.344	50	40	EEGB	
IC[C@@H]1COC[C@H](COCc2ccccc2)O1	39137869	BAHMEZMZNVFQOY-OLZOCXBDSA-N	348.180	2.422	50	40	EEGB	in-vitro
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2F)n1C	102274350	HKZDTYHZUGHGNM-LUAWRHEFSA-N	331.376	2.039	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cccs2)cc1OC	567472	OYZVPXFPLUIXHF-RQZCQDPDSA-N	348.380	2.072	50	40	EEGB	
Cn1/c(=N\NC(=O)c2ccc([S@](C)=O)cc2)sc2ccccc21	103717492	MTCBSWVANCDVRJ-YJCCFKNTSA-N	345.449	2.223	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)[nH]n1	586771	IEIPMTHFLXQYFD-UHFFFAOYSA-N	334.379	2.311	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C)cc1	7782116	OHUCUSZIZBATCI-XDHOZWIPSA-N	325.368	2.483	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cnccn1	12697967	XTENVNZCNIQIBD-UHFFFAOYSA-N	330.413	2.272	50	40	EEGB	
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(OCc2ccccc2)cc1	9835613	WKEKNLPJZFLEJI-QGZVFWFLSA-N	340.379	2.206	50	40	EEGB	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2	377563	XCGVQIXLXRCIAR-NSHDSACASA-N	330.384	2.267	50	40	EEGB	
Cc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1Cl	7939765	MLMTYOBBQVGUOO-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)NC1CCCC1	59435614	VMZHMCFMDNUBEP-YBFXNURJSA-N	325.368	2.054	50	40	EEGB	
Cc1nn2c(nc(N3CCOCC3)c3ccccc32)c1C=C(C#N)C#N	3179447	YRHRWAXUURGJAK-UHFFFAOYSA-N	344.378	2.458	50	40	EEGB	
CC1(C)OCC(COc2ccccc2)(NC(=O)NCCCl)CO1	4474929	MMIMYCLYTRJLAU-UHFFFAOYSA-N	342.823	2.125	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(OC)c1	252215	ZLRSSIJIOJHANR-KEBDBYFISA-N	331.347	2.405	50	40	EEGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	3009073	REWZLUPHTRFNQK-KEBDBYFISA-N	345.786	2.115	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1OC	6457908	AWVSUXCHUBHRSK-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(C)nc2)c1O	36216346	OXNVWXBCTXRUQN-NVMNQCDNSA-N	344.327	2.166	50	40	EEGB	
Cc1ccc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1	6652033	HNYRKRRMBPJFOG-UHFFFAOYSA-N	343.408	2.033	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1	313871	BZAHOBCWBBWTHB-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cccc(O)c1	345444	PXQIQALKWNAKNM-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1O	493385	DHTRHHPZVNEXOU-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
Cc1nn(C)c2c1[C@H](c1cn[nH]c1-c1ccccc1)C(C#N)=C(N)O2	125822	UTDDPPYPBHAUOP-HNNXBMFYSA-N	332.367	2.337	50	40	EEGB	
O=C1[C@H](Br)[C@H](Br)C(=O)N1c1ccccc1	100157139	FTSDYNGSNGJRLL-OCAPTIKFSA-N	332.979	2.087	50	40	EEGB	
O=C(CNC(=O)C1CCCCC1)NNc1c(F)c(F)cc(F)c1F	2654545	IMKZRUDSOZYFJR-UHFFFAOYSA-N	347.312	2.383	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc([N+](=O)[O-])c1O	409369622	SAMDBPUHSRUXKL-KPKJPENVSA-N	331.328	2.228	50	40	EEGB	
Cc1ccccc1NCC(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-]	36073809	AKFPAJVSWRPGCW-NVMNQCDNSA-N	328.328	2.171	50	40	EEGB	
O=C(N/N=C\c1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1	5664979	IPIZDZPMQISFFX-UKWGHVSLSA-N	336.273	2.189	50	40	EEGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1F	5718873	IIYPOLRSTXGDDO-YBFXNURJSA-N	329.331	2.313	50	40	EEGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl	12428492	IQSRHPBHLZDMNV-JTQLQIEISA-N	335.150	2.295	50	40	EEGB	
COCC(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1Cl	5370014	QNNGGRJJDPIQNU-CAOOACKPSA-N	332.187	2.461	50	40	EEGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccnc1	102962129	FITMUGWXJKTDCR-VDQHWBOFSA-N	333.819	2.420	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1	357460	DMYORCKSCQKKNC-UHFFFAOYSA-N	325.368	2.418	50	40	EEGB	
O=C(Cc1nc2ccccc2[nH]c1=O)N/N=C/c1ccc2c(c1)CCC2	8627812	GVLMARCSMXKFDQ-CIAFOILYSA-N	346.390	2.105	50	40	EEGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCC(=O)O)c2)c(C)c1	20195066	UWETWNJDFQHLPQ-RGVLZGJSSA-N	340.379	2.460	50	40	EEGB	
COCCNc1ccc(C(=O)NN(C)c2ccccc2)cc1[N+](=O)[O-]	8780540	XOOSPGYLLIAJAD-UHFFFAOYSA-N	344.371	2.434	50	40	EEGB	
O=C(CCCC[C@H]1CCSS1)N1C[C@H]2C[C@H]1CS2(=O)=O	575615836	IKLCJEGZXZSVDI-SDDRHHMPSA-N	335.516	2.098	50	40	EEGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](Cc3ccccc3)[C@H]2C1	7999361	RSQBDANEMJIELQ-ZWKOTPCHSA-N	329.407	2.117	50	40	EEGB	
COC(=O)N1C[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21	101042890	UOXRQXOWNBYVAE-OOJXKGFFSA-N	327.016	2.374	50	40	EEGB	
NC(=O)N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1	4598889	LSBVSXSYHCERMI-WOJGMQOQSA-N	344.327	2.055	50	40	EEGB	
CCOP(=O)(OCC)[C@@H]1C(=O)NC(N)=C(C#N)[C@@H]1c1ccccc1	15082373	ZLDUYUVUUQIDNA-KBPBESRZSA-N	349.327	2.229	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccc(C)o2)c1	7786754	YVQPIXFBZFTZEA-VOTSOKGWSA-N	328.368	2.444	50	40	EEGB	
O=C(/C=C/c1ccccc1Br)NNC(=O)c1ccncc1	13019631	XVISKPFLUGMCKF-AATRIKPKSA-N	346.184	2.319	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	104454125	OXIUOSOFZCVFCS-ALCPLMOZSA-N	349.730	2.130	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@H](c1csc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2051511	BLOYPNKKBUYHAC-LLVKDONJSA-N	331.309	2.136	50	40	EEGB	
Cc1c(C(=O)NN=Cc2ccccc2[N+](=O)[O-])sc(N)c1C#N	252619407	LORLOGFRTPKIAD-UHFFFAOYSA-N	329.341	2.183	50	40	EEGB	
O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1n1cnc2ccccc2c1=O	5838525	HLHROVPJYKTBGW-LSDHHAIUSA-N	325.755	2.223	50	40	EEGB	
O=C(Cn1cc([N+](=O)[O-])cn1)N/N=C/c1c(Cl)cccc1Cl	539713	UVOJHBUYBHBKSW-PJQLUOCWSA-N	342.142	2.248	50	40	EEGB	
N#CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	12354466	JDRIOKGKXIZPOI-FXBPSFAMSA-N	332.363	2.471	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1O	59447339	ADNDMMVVBMWHFU-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(N3CCOC3=O)cc2)cc1	42819327	UEHJPKDURYJHGZ-UHFFFAOYSA-N	339.351	2.026	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])s1	1820285	GPSNDLCTIVPUAZ-GFCCVEGCSA-N	335.341	2.301	50	40	EEGB	
COc1ccccc1CC(=O)NNC(=O)COc1ccc(C)c(C)c1	6033358	PAZLCETZCMFAHV-UHFFFAOYSA-N	342.395	2.081	50	40	EEGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CC2)cc1OC	5728359	UGHCEAMAWLERIJ-GHXNOFRVSA-N	338.367	2.279	50	40	EEGB	
O=C1Nc2ccc(Cl)cc2/C1=N\NC(=O)c1ccc2c(c1)OCO2	16698671	JTYYFVKWGVDSHG-UHFFFAOYSA-N	343.726	2.155	50	40	EEGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)c(C)c1	216040084	WPMFKXQWFFVGET-JAIQZWGSSA-N	340.379	2.460	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@@H](/N=C(/Cl)C(Cl)(Cl)Cl)C1	97942991	PTZPPDSDYQMOKF-XLZIZORESA-N	333.451	2.398	50	40	EEGB	
Cc1c(C(=O)NNc2ccc(F)cc2)sc2ncn(C)c(=O)c12	51201486	IPXCOVVZSNKKPO-UHFFFAOYSA-N	332.360	2.199	50	40	EEGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c2C)cc1	6613825	NXYCKIRSHYPERC-RGVLZGJSSA-N	340.427	2.377	50	40	EEGB	
C[C@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1	35413619	KRHZFJZRTCOXMA-CYBMUJFWSA-N	341.386	2.034	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OCC)cc1	44841957	OXZHHGAGKWCJSQ-AWEZNQCLSA-N	338.791	2.495	50	40	EEGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)n1	408976867	GVWAYHGWXMRDQM-RIYZIHGNSA-N	325.324	2.211	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(OC)c(O)c(OC)c1	408752127	GAFBKCOXUGOKPT-VXLYETTFSA-N	344.367	2.490	50	40	EEGB	
COC(=O)[C@H]1C(=O)N2CCCSC2=C(C#N)[C@H]1c1cccs1	129335	PUFMKBQYAMNPLU-NWDGAFQWSA-N	334.422	2.335	50	40	EEGB	
Cc1ccc(C)c(OCCC(=O)NNC(=O)Cc2nc(C)cs2)c1	40023453	BYVHAKGHXZGPAZ-UHFFFAOYSA-N	347.440	2.227	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1	296423	BIVOXKJPWSJBSL-UHFFFAOYSA-N	334.759	2.189	50	40	EEGB	
CCOC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1	1691038	GSHBBCMSNYKVAA-CQSZACIVSA-N	333.259	2.404	50	40	EEGB	
C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)OC2=O	100747149	OTWRGWSKJQRMNC-QUNWWBBNSA-N	340.011	2.262	50	40	EEGB	
CS(=O)(=O)Nc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1	102940440	FRFDFQSXMXPBSU-UHFFFAOYSA-N	336.325	2.186	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1C	59444358	INOIDBPGMAHWRZ-VXLYETTFSA-N	339.351	2.090	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2F)cc(OC)c1O	6566627	ANMLWAPTTNWPHI-AWQFTUOYSA-N	347.346	2.111	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)CCc2ccccc2)c1	409114961	FVCYSKQCCOTAAM-DEDYPNTBSA-N	340.379	2.321	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)cc1	485296	SHCOTPIVNYJVPD-YBFXNURJSA-N	342.351	2.393	50	40	EEGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(O)c(OC)c1)C(C#N)=C(N)O2	5075321	KSZQNQVOKLANHH-AWEZNQCLSA-N	326.356	2.295	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1OC	140702	YVMRBPXWRAZZNA-CAOOACKPSA-N	334.401	2.205	50	40	EEGB	
C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1ccc(Cl)cc1	101158491	IWKRHVILAJOHPE-HIPSJFSSSA-N	337.807	2.131	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccccc2C)c1	1801254	OZJYOZMXFOEKGK-UHFFFAOYSA-N	342.395	2.217	50	40	EEGB	
Cc1cc(C(=O)CCl)c(C)n1-c1ccc(S(N)(=O)=O)cc1	2631699	PUOAXAVWAHEOMF-UHFFFAOYSA-N	326.805	2.163	50	40	EEGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12	2752872	VRRAIJUEWQLAMY-RGVLZGJSSA-N	336.351	2.265	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	38534933	YGLIJRIGSSRUJL-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
O=S1(=O)C[C@H](Cl)[C@H](/N=C(/Cl)C(Cl)(Cl)Cl)C1	97942994	PTZPPDSDYQMOKF-FJCSHWHOSA-N	333.451	2.398	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	3017313	WGJDBIIAJZAMEW-IMRMQAIZSA-N	343.333	2.468	50	40	EEGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2sccc2C)c1	5748626	IBCLFVYAMOTFJT-RQZCQDPDSA-N	347.396	2.163	50	40	EEGB	
Cc1c(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)cccc1[N+](=O)[O-]	5956149	PBMLIZBADXUCPV-SDXDJHTJSA-N	338.323	2.014	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)COc2cc(C)ccc2C)cc1	508838	PJGFMLACHGLXDQ-UHFFFAOYSA-N	342.395	2.081	50	40	EEGB	
O=C(COC(=O)c1cccs1)NNC(=O)c1ccc(Cl)cc1	7159381	TYLNYLOHJXKJLR-UHFFFAOYSA-N	338.772	2.020	50	40	EEGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccnc1)c1ccccc1	408977467	DOUFPEDOLQTOGK-UOEVCUDDSA-N	340.383	2.409	50	40	EEGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(OC(F)(F)F)cc1	13006354	JZVLWYTVADGQQA-UHFFFAOYSA-N	340.257	2.366	50	40	EEGB	
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NCCCn3ccnc3)ccc2O1	5344003	DOGQAJAQUHIDQG-SWEABUAFSA-N	336.395	2.320	50	40	EEGB	
C=CCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12	6819846	ITUVLAKHGIPKNZ-UHFFFAOYSA-N	326.425	2.407	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)c1	408855032	CQAGAPYIPFHNRH-ZGXHQARYSA-N	342.351	2.311	50	40	EEGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccncc1	5749478	GQXPNIHNAUYSLR-UHFFFAOYSA-N	340.166	2.228	50	40	EEGB	
Cc1ccc(CN(C)[C@@H](C)C(=O)NNC(=O)c2ccc(F)cc2)cc1	9646096	AXNOXRDYJJLBSV-AWEZNQCLSA-N	343.402	2.416	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC#N	38164822	ICVZTCKLASGUIS-ODLFYWEKSA-N	325.324	2.067	50	40	EEGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OCCC)c(OCC)c1	5714217	MLKYMTBCHIOHMN-DEDYPNTBSA-N	347.415	2.017	50	40	EEGB	
Cc1[nH]nc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C(C#N)=C(N)O2	5130827	GNWFOWHWMFZXJO-UHFFFAOYSA-N	345.403	2.073	50	40	EEGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@H]2C1	804152	YNZWMYRJJBSIFA-GJZGRUSLSA-N	339.399	2.057	50	40	EEGB	
CCc1ccc(-c2nnc(SCC(=O)/C(C#N)=C(/C)N)[nH]2)cc1	104880287	JLXZLPGBCPSNNM-RAXLEYEMSA-N	327.413	2.452	50	40	EEGB	
CC1(C)[C@]2(C(=O)N3CCOCC3)CC[C@@]1(C)C(=O)[C@H]2Br	4263308	PSVKKNZQUJYPMT-WKPIXPDZSA-N	344.249	2.004	50	40	EEGB	
CO[C@H](C(=O)NNC(=O)COc1ccc(Cl)cc1)c1ccccc1	4713275	ORBLIRUYCFUUST-INIZCTEOSA-N	348.786	2.254	50	40	EEGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)[C@@H](O)c1ccccc1	3102741	MCQGBJXISHCDPH-WZCGUGGKSA-N	349.730	2.138	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	83318764	YIBXRACDLXXBMD-IUXPMGMMSA-N	343.295	2.096	50	40	EEGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(I)o1	4506763	RLGOYWORGUEKFJ-YVMONPNESA-N	330.125	2.316	50	40	EEGB	
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(N)=O)cc1	4505785	FHBGLEAYILXOHX-GIJQJNRQSA-N	325.284	2.261	50	40	EEGB	
COc1ccc(N2C[C@@H](C(=O)NNc3ccc(F)cc3)CC2=O)cc1	40060328	JACZSZMKGDHOPO-LBPRGKRZSA-N	343.358	2.331	50	40	EEGB	
O=C(N/N=C/c1cccc(F)c1)c1c(O)[nH]c2ccccc2c1=O	8691664	KSLUQJNZDPPKRL-DJKKODMXSA-N	325.299	2.137	50	40	EEGB	
CC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	4891951	BXFKEYTWGSINRM-GZTJUZNOSA-N	332.381	2.233	50	40	EEGB	
CCOP(=O)(OCC)[C@H]1C(=O)NC(N)=C(C#N)[C@@H]1c1ccccc1	15082370	ZLDUYUVUUQIDNA-UONOGXRCSA-N	349.327	2.229	50	40	EEGB	
CC1(C)[C@@H](ON=C2CCCCC2)NC(Cl)=C(C#N)[C@]1(C#N)C(N)=O	22145478	AHLVNGVQRQYJLT-GDBMZVCRSA-N	349.822	2.248	50	40	EEGB	
O=C(N/N=C/c1ccccn1)C(O)(c1ccccc1)c1ccccc1	245361	RYWJDGVJEXJFRV-PXLXIMEGSA-N	331.375	2.468	50	40	EEGB	
CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)OC)=C1C#N	9088886	IDWZHYWKDIGOMD-LBPRGKRZSA-N	346.408	2.330	50	40	EEGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(I)cc1	10118468	SFZFHRGBRJQBTL-OVCLIPMQSA-N	339.136	2.383	50	40	EEGB	
Cn1cccc1CC(=O)NNC(=O)CCCc1c[nH]c2ccccc12	3333721	MOWFAVYVYQZNGK-UHFFFAOYSA-N	338.411	2.219	50	40	EEGB	
CC(C)[C@H](Br)C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1	4772236	FMBWOYZHZAVDEE-UPJWGTAASA-N	339.233	2.357	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1	16481637	OTCMEABPHXZJOL-UHFFFAOYSA-N	336.388	2.126	50	40	EEGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccccc1O	409072208	JFMOWMXCQXBYQB-MOSHPQCFSA-N	339.395	2.301	50	40	EEGB	
Cc1ccc(/C=C/S(=O)(=O)NNC(=O)c2cc(C)oc2C)cc1	55559279	GPAHSXZEYOHEQC-CMDGGOBGSA-N	334.397	2.440	50	40	EEGB	
CC1(C)[C@H](ON=C2CCCCC2)NC(Cl)=C(C#N)[C@]1(C#N)C(N)=O	22145481	AHLVNGVQRQYJLT-GOEBONIOSA-N	349.822	2.248	50	40	EEGB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCl)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	100745159	NWASYGSCEIZROR-ZUCUXRGCSA-N	338.787	2.180	50	40	EEGB	biogenic
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)ccc1O	59516014	HMQLUDCQPAQCBJ-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(C(=O)O)cc1	169589546	CZMPRWCJGOKFAH-NHDPSOOVSA-N	349.346	2.462	50	40	EEGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O1	351051	DGASLUPHSSJIQI-HNNXBMFYSA-N	344.367	2.349	50	40	EEGB	
C/C(=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)c1cccs1	4696838	GNFXCDMTRHENBV-PVONCNHASA-N	327.409	2.118	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc2c1OCCO2	4520372	VBLCATFGPVQJLN-YBFXNURJSA-N	326.352	2.295	50	40	EEGB	
Cc1ccc2nc(SCC(=O)NNC(=O)c3cccs3)[nH]c2c1	6506549	VBYCZLSUDGEPIT-UHFFFAOYSA-N	346.437	2.486	50	40	EEGB	
COc1cccc(OC)c1/C=N/NC(=O)c1c(C)nc2sccn12	408969913	WUYANIQCBFXFTG-RQZCQDPDSA-N	344.396	2.485	50	40	EEGB	
CC1(C)CC(=O)C2=C(C1)OC(C#N)=C(N)[C@]21C(=O)Nc2ccccc21	585145607	AOBDGUODJYIHJU-LJQANCHMSA-N	335.363	2.244	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccoc1C)[C@H]2C(=O)O	5697219	QVRCJJDUOXMWKO-MXYBEHONSA-N	346.383	2.042	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	5222255	CYFQISCJXVDVMA-DAQNXSASSA-N	326.352	2.375	50	40	EEGB	
CCCCOc1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1	16758275	OQPMUKAJHDURQT-UHFFFAOYSA-N	326.360	2.289	50	40	EEGB	
COc1cc(C(=O)NNC(=O)c2cccc(C)c2)cc(OC)c1OC	579301	LQAMRWNQHWHRBR-UHFFFAOYSA-N	344.367	2.096	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1Cl	3095989	UZANPFJVQXFRKQ-UHFFFAOYSA-N	345.786	2.357	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	36076409	OGVVDRPGTPNFSO-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Cl)c2)C1=O	11847784	YNKFWGKAAVYVLM-UHFFFAOYSA-N	336.196	2.422	50	40	EEGB	
C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc(Br)cc1	408781816	DYDIYWCYZPBTJZ-MHWRWJLKSA-N	341.205	2.442	50	40	EEGB	
Cn1cc(Br)c(C(=O)N/N=C/c2ccc(F)s2)n1	252482205	DAOQKLZMGIVTTE-YIXHJXPBSA-N	331.170	2.147	50	40	EEGB	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N/N=C/c1ccc(F)s1	252489665	JVTYVAOOUUYQPM-VLYAYIKJSA-N	339.352	2.087	50	40	EEGB	
CCOCc1c(C(=O)OCC(=O)/C(C#N)=C(/C)N)oc2ccccc12	104472867	IQRDPODMQOAIQX-QBFSEMIESA-N	342.351	2.451	50	40	EEGB	
C=CCn1c(Cl)c(/C=N/NC(=O)Cc2ccccc2)sc1=O	10152221	ILAWTKQAYAJYGD-LICLKQGHSA-N	335.816	2.442	50	40	EEGB	
CC(C)c1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cs1	2755023	KGJWSDPDNDNTFF-VXGBXAGGSA-N	336.413	2.300	50	40	EEGB	
Cn1nc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccc1=O	45165845	NZARGNGAHHAYPT-UHFFFAOYSA-N	334.379	2.132	50	40	EEGB	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)Cc1cccs1	2316664	JCUFETFRAJGEOW-CMDGGOBGSA-N	345.449	2.026	50	40	EEGB	aggregator
COc1ccc(C(=O)NNC(=S)NCCCc2ccccc2)cc1	408585338	DXKVIPSKVNKIHZ-UHFFFAOYSA-N	343.452	2.437	50	40	EEGB	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)[C@H]1CCCO1	32259732	CEFXPYMLRWQELB-MRXNPFEDSA-N	346.358	2.345	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OC)c2OC)cc1	371129	JZJJMDNLAXUIOD-XDHOZWIPSA-N	328.368	2.405	50	40	EEGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccco1	408915302	ZHPMQZQNEJPYSX-GYZOOYGHSA-N	329.356	2.087	50	40	EEGB	
O=C(Cl)[C@@H]1CC(=O)N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C1	45958828	DSAVWCCTSXDBFE-MRVPVSSYSA-N	346.170	2.274	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)cc1	83303314	HAEIZIZJKLTZMP-JMIUGGIZSA-N	341.367	2.376	50	40	EEGB	
CC(=O)C/C(C)=N/NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1	100775999	LVXXWRKQQJRRQY-LBFZPMSMSA-N	347.400	2.083	50	40	EEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C(=O)O)s1	13111532	MMUBRFKJTJOKNJ-LZYBPNLTSA-N	332.337	2.329	50	40	EEGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3)CC2=O)cc1	32223722	BCPXIQIKABZBEA-GEYIUBJWSA-N	337.379	2.198	50	40	EEGB	
O=C(Cc1cccnc1)N/N=C/c1ccc(O)c(Br)c1	137942	LQBOLXQIOVMICJ-RQZCQDPDSA-N	334.173	2.243	50	40	EEGB	
CN(C)c1ccsc1C(=O)NNC(=O)C(Cl)=C(Cl)Cl	2577783	DVEBKRYHVLKWKD-UHFFFAOYSA-N	342.635	2.461	50	40	EEGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)c1	72372	OAIGXYYMIZKQIA-QGZVFWFLSA-N	338.411	2.272	50	40	EEGB	
C/C(=N\NC(=O)CSc1ncccn1)c1cccc([N+](=O)[O-])c1	59503034	ZGVITAIMLSVPPT-LICLKQGHSA-N	331.357	2.017	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccoc1C	17072072	QVRCJJDUOXMWKO-AYRXBEOTSA-N	346.383	2.042	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@@H]([C@@H]42)[C@@]3(Br)C12OCCO2	239562978	NWTOYPBJWGMJPX-YOUPPHKHSA-N	348.034	2.010	50	40	EEGB	
Cc1cc(F)ccc1S(=O)(=O)NNC(=O)c1c[nH]c2ccccc12	22841959	MMPSKZREXPAAHO-UHFFFAOYSA-N	347.371	2.239	50	40	EEGB	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc(-c2ccccc2)on1	27263094	LUYFFOQIPGMWBS-KRWDZBQOSA-N	349.346	2.106	50	40	EEGB	
Cc1cc(C)c(NCC(=O)NNC(=O)CCc2ccco2)c(C)c1	9320925	IVDSJLOEFBBIIX-UHFFFAOYSA-N	329.400	2.397	50	40	EEGB	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=O)c1cccs1	8184823	UJPLGIIXENNXGX-UHFFFAOYSA-N	342.380	2.192	50	40	EEGB	
O=C(Cn1cnc2ccccc2c1=O)N/N=C\C=C\c1ccccc1	16771389	NRPPWZDKCDKKRK-MIAABOGCSA-N	332.363	2.212	50	40	EEGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)c1	8167663	JNPWOYACUHLSJG-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
COc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)cc(OC)c1OC	357547	MLIQQVYHHTVROH-RGVLZGJSSA-N	339.351	2.348	50	40	EEGB	
CCOC(=O)NNC(=O)c1ccc(OCc2csc(C)n2)cc1	21772325	NCHDEIWIUGDDFV-UHFFFAOYSA-N	335.385	2.421	50	40	EEGB	
Cn1ncc2c(NNC(=O)Cc3cccc4ccccc34)ncnc21	4338805	XBCOAVSXMZFRMQ-UHFFFAOYSA-N	332.367	2.202	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1	409084237	APGAPSZAGYMCQM-XSFVSMFZSA-N	339.395	2.296	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2OC)cc1	353730	LKRLAEGQAZWITQ-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1	3096882	YYOMETKURDUXAI-YBFXNURJSA-N	342.351	2.011	50	40	EEGB	
Cn1nc(C(=O)N/N=C/c2cccc(Cl)c2)c2ccccc2c1=O	6685924	SYLCDOPRFKVPEP-VXLYETTFSA-N	340.770	2.351	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C)c1	5796066	UUHYEZRHKHLRDS-UHFFFAOYSA-N	342.395	2.217	50	40	EEGB	
N#CC1=CS/C(=C2\C(=O)NN(c3ccccc3)C2=O)SC1=N	5873315	YVPVSKLFUTWQNH-SXTJVRLHSA-N	328.378	2.141	50	40	EEGB	
Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)C3CCCC3)c2)n1	552364	RVMOLACWSOOBMA-UHFFFAOYSA-N	340.427	2.499	50	40	EEGB	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)sc1N	2181035	AHOPAOQMIXRFLZ-UHFFFAOYSA-N	332.454	2.292	50	40	EEGB	
COc1ccccc1OCC(=O)NNC(=O)CCCc1ccccc1	4689486	ATZRWGDGWVYVIW-UHFFFAOYSA-N	342.395	2.244	50	40	EEGB	
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408939964	JATPOJVIUWREFK-CNHKJKLMSA-N	334.763	2.448	50	40	EEGB	
CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	8567995	WCSFRACCVXBNIH-LJQANCHMSA-N	349.394	2.237	50	40	EEGB	
CCC(=O)NNC(=O)c1ccccc1NC(=O)c1cccc(C)c1	409002273	MVYSYDQVKMPCEA-UHFFFAOYSA-N	325.368	2.418	50	40	EEGB	
Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1C	408781792	DVNSIHVMCZHZEM-ODLFYWEKSA-N	328.416	2.237	50	40	EEGB	
Cc1nn(C)c2c1[C@@H](c1cn[nH]c1-c1ccccc1)C(C#N)=C(N)O2	125830	UTDDPPYPBHAUOP-OAHLLOKOSA-N	332.367	2.337	50	40	EEGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1	4703108	MBYCLZNWAGLGGN-RQZCQDPDSA-N	328.199	2.456	50	40	EEGB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\C#N)c1ccccn1	16695170	HPAHYEAGDXSHNR-HNRFISLBSA-N	342.424	2.319	50	40	EEGB	
CC(C)Nc1nc(NNC(=O)c2ccccc2)nc(NC(C)C)n1	32604860	SNJYZUSBWRGORN-UHFFFAOYSA-N	329.408	2.269	50	40	EEGB	
N#CC1=C(N)O[C@@H]2NN=C(C(F)(F)F)[C@@H]2[C@@H]1c1ccc(F)cc1	5570115	AZOYFUPKEYJCAL-NRUUGDAUSA-N	326.253	2.097	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])c(O)c2)cc1	33294431	PEYPSMKJNNUVPR-NVMNQCDNSA-N	328.328	2.171	50	40	EEGB	
CCCC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	12668316	OUTNOHSZIGPWJH-UHFFFAOYSA-N	328.294	2.003	50	40	EEGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCc2ccco2)cc1	8778443	GRLMYADCCQYGPF-CYBMUJFWSA-N	346.383	2.226	50	40	EEGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNc1ccncc1	33789880	IYPWXSUEVITTQT-UHSVVUDUSA-N	342.443	2.246	50	40	EEGB	
C[C@H]1C[C@@H](C)CN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1	26466353	PIBZUMISROWYFH-FCZCGKPJSA-N	338.411	2.124	50	40	EEGB	
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)N/N=C/c1ccc(F)s1	252486444	HLICUDRCALVROT-RWNYKPJXSA-N	325.325	2.012	50	40	EEGB	
Cc1c(-c2cc(C(=O)N/N=C/c3ccc(F)s3)no2)cnn1C	252481549	CNXQIIXKNVXKST-OMCISZLKSA-N	333.348	2.348	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1OC	3323892	GUQCNVMIEIEMNF-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1ccccc1Br	5679927	JJZKACFQDIARFJ-NSHDSACASA-N	333.141	2.068	50	40	EEGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(N)=O)cc1	8372112	VLLYELCDVCCCDS-UKWGHVSLSA-N	345.786	2.276	50	40	EEGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	100176940	SPAIGCYAYRPRTJ-OSXQJCMISA-N	333.344	2.282	50	40	EEGB	
Cc1cc(C)cc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1	408771558	HHHYAGCPHQSXSW-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
Cc1ccc(O)c(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	3114968	ZGFOPYCDLHNVHZ-LZYBPNLTSA-N	344.283	2.281	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(F)cc2)c1	218115	DBPKAZGCLNWFJN-VXLYETTFSA-N	332.331	2.372	50	40	EEGB	
COc1ccc(N2C[C@H](C(=O)NNc3ccc(F)cc3)CC2=O)cc1	40060326	JACZSZMKGDHOPO-GFCCVEGCSA-N	343.358	2.331	50	40	EEGB	
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1	3524604	CGVLWUOUEXMGKP-RYDSTTOYSA-N	327.340	2.353	50	40	EEGB	
C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(N)=O)cc1)c1ccccc1	408815505	WXLCWVXHEDOTDW-MPMPPSQCSA-N	349.390	2.335	50	40	EEGB	
O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	8701466	KWXFDXYQDREDMK-UHFFFAOYSA-N	325.777	2.060	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)cc1	408788723	GFIPXNRTJPCDRC-YBFXNURJSA-N	342.351	2.150	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OC)c2OC)c1	581688	GLUABPPFALXXAA-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	59515415	PHJGIIXFLWBHIT-GIJQJNRQSA-N	345.742	2.127	50	40	EEGB	
Cc1noc(C)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	6506365	FJPREFTYRYIMRO-UHFFFAOYSA-N	338.323	2.290	50	40	EEGB	
CSC[C@@](C)(O)CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	252513138	XNRQWJXGVUBBRU-JULQROHOSA-N	336.295	2.170	50	40	EEGB	
Cc1ccc(S(=O)(=O)[C@@H](NC(=O)N(C)C)C(Cl)Cl)cc1	3121992	LZNDVQYNSBNKTD-LLVKDONJSA-N	339.244	2.170	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1	3009197	LFMUNKSTVHDKRL-GNUZOCDUSA-N	339.395	2.413	50	40	EEGB	
COc1ccc(/C=N/NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2)cc1	35361885	QPDUKYZTRRPUKI-QPHXDFOYSA-N	348.406	2.341	50	40	EEGB	biogenic
C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(C)cc1	4610843	WWYQVKCKJSOHRE-XSFVSMFZSA-N	343.383	2.165	50	40	EEGB	
COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)c1cccs1	57395419	RNLXQYNGPHENDS-XFFZJAGNSA-N	328.349	2.368	50	40	EEGB	
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1	6209741	CGVLWUOUEXMGKP-LRQGOLEJSA-N	327.340	2.353	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)ccc1O	32109233	NXDSDFCIDRSHMV-KCBNLNMNSA-N	342.351	2.081	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)cc1	6044325	PRSDIMFINUZPPR-UFFVCSGVSA-N	334.379	2.199	50	40	EEGB	
Cn1cc(Br)c(C(=O)N/N=C/c2ccccc2F)n1	5424981	BSOVCWSOQVFJLF-GIDUJCDVSA-N	325.141	2.086	50	40	EEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)cc1	229455	RVUWYYVUYHEVGL-XDHOZWIPSA-N	343.431	2.353	50	40	EEGB	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccccc1Cl	7913389	GVBGRFNCFCTJSF-UHFFFAOYSA-N	341.795	2.016	50	40	EEGB	
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C#N)=C(N)O2	18189639	NLRDBOCNKMTXSD-GFCCVEGCSA-N	338.392	2.266	50	40	EEGB	
CCS(=O)(=O)[C@@H](I)C(=O)c1ccccc1	96517942	KNFZSPDONNYEAO-SNVBAGLBSA-N	338.166	2.065	50	40	EEGB	
Cc1cccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c1	5548484	BTNIXJOZOGHNRJ-UHFFFAOYSA-N	348.786	2.254	50	40	EEGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CNc1ccccc1	43272	TVHXFFKQJXGBHX-CIAFOILYSA-N	349.394	2.449	50	40	EEGB	
N#C/C(C(=O)CN1CCc2ccccc21)=C1\NC(=O)c2ccccc2N1	105219434	KTUZNYKPCHIOPP-XDJHFCHBSA-N	344.374	2.209	50	40	EEGB	
COc1cccc(C(=O)N/N=C/c2ccc(OC)c(C(=O)O)c2)c1	59484959	GWLDLARCMCVZGI-VCHYOVAHSA-N	328.324	2.166	50	40	EEGB	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1	408720744	XXYQFMWDLMCZON-RGVLZGJSSA-N	341.798	2.375	50	40	EEGB	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCCCn1ccnc1	6309680	NTTRQYAJEUCPIJ-GZTJUZNOSA-N	334.379	2.315	50	40	EEGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	5817673	SORIMTUJTSQXLD-OAHLLOKOSA-N	326.356	2.344	50	40	EEGB	
N#Cc1ccc(/C=N/NC(=O)c2nn(-c3ccccc3)cc2O)cc1	7786418	BQVZRFUXAXWVFJ-RGVLZGJSSA-N	331.335	2.213	50	40	EEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(N)=O)cc2)cc1	409007435	OTVKYXXZDWABFL-GRSHGNNSSA-N	326.356	2.015	50	40	EEGB	
COc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c1	13687212	QQCGUFHSSQQWFK-UHFFFAOYSA-N	328.290	2.499	50	40	EEGB	
CN(NC(=O)C(Cl)=C(Cl)Cl)c1ncccc1[N+](=O)[O-]	4277477	KATDWEJYKOJHJN-UHFFFAOYSA-N	325.539	2.343	50	40	EEGB	
COc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(OC)c1OC	50756	CXLUAWATLIUUQO-INIZCTEOSA-N	344.367	2.383	50	40	EEGB	
Cc1cc(NC(=O)C(C)(C)CCl)n(-c2nc(C)c(C)c(=O)[nH]2)n1	7420845	XDKHDTPJVROCRY-UHFFFAOYSA-N	337.811	2.084	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(O)c([N+](=O)[O-])c1	8812038	JOORNWYANJJJBH-CAOOACKPSA-N	333.275	2.212	50	40	EEGB	
COc1ccc(C(N)=O)cc1NS(=O)(=O)[C@@H]1CCCC[C@@H]1Cl	65566867	AQCFONSIDJCPJP-GXFFZTMASA-N	346.836	2.086	50	40	EEGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cc(Cl)ccc1O	13549986	MIHGIKKKGGOTLM-VXLYETTFSA-N	349.774	2.451	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)CN1CCN(CC(F)(F)F)c2ccccc21	584907243	CRAQHRNNUDIFKG-QXMHVHEDSA-N	338.333	2.201	50	40	EEGB	
CC(=O)N/N=C1/NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1	14162170	PWXSAOCGANICNR-ZSOIEALJSA-N	333.413	2.332	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c(O)c1	31875882	BOBBZWIZFUEHIK-KCBNLNMNSA-N	342.351	2.081	50	40	EEGB	
C=CCn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccoc1C	104823153	RUBSNQYDLTUCQV-RAXLEYEMSA-N	343.412	2.450	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3cccs3)[nH]n2)cc1	12683055	ONQCUTYWDMZZEV-UHFFFAOYSA-N	342.380	2.222	50	40	EEGB	
COc1cccc(C(=O)NCC(=O)N/N=C(\C)Cc2ccccc2)c1	4825173	GLGDBEBWEYPCRN-KGENOOAVSA-N	339.395	2.160	50	40	EEGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1	408732304	UDHNLMLGHPZTNR-MHWRWJLKSA-N	349.416	2.343	50	40	EEGB	
NNC(=O)CN1C(O)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1	8156576	NOJNOYVWWJHQSV-OAHLLOKOSA-N	330.775	2.280	50	40	EEGB	
CC(=O)N1CCCc2cc(NS(=O)(=O)CBr)ccc21	5329002	ACGJTHHIIYELDF-UHFFFAOYSA-N	347.234	2.080	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)NNc2nc(-c3ccncc3)no2)c1	102185693	BMSHQGGIMCMTRZ-UHFFFAOYSA-N	339.355	2.271	50	40	EEGB	
Cc1cc(OCC(=O)NNC(=O)c2ccncc2)cc(C)c1Cl	319065	GGVXCQFIKLBLKO-UHFFFAOYSA-N	333.775	2.192	50	40	EEGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCC(=O)O)cc2)c1	409362188	ICHXBTDHGUBHOY-JAIQZWGSSA-N	340.379	2.460	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccc(OC(F)F)cc1	252490503	KVMCJFUUHZXUJX-CNHKJKLMSA-N	326.278	2.233	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1	581736	OMKWASOLFBRSQS-VCHYOVAHSA-N	328.324	2.166	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OC	582762	UICPQALLBVKHFC-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	6430356	XQDSUZCBRKPREU-FYJGNVAPSA-N	339.395	2.242	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1	5314364	GBKPXQSZKPJJMQ-XDHOZWIPSA-N	336.399	2.245	50	40	EEGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1O	29071	NBNLUEQTMQNSHY-UHPUNMKFSA-N	334.759	2.238	50	40	EEGB	
CC(C)(C)C(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O	101412264	MBNMYPMGBUSYQD-HNNXBMFYSA-N	342.226	2.225	50	40	EEGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc([N+](=O)[O-])c1O	36189848	QLNKRLBQHNAUSR-WOJGMQOQSA-N	343.339	2.392	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)NC(N)=O)ccc1OCC(C)C	6790176	XJABTGDQLTXKIX-NTUHNPAUSA-N	331.372	2.222	50	40	EEGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccs1	408974153	VZKXENOFIVBEHT-XKYMITNMSA-N	327.409	2.214	50	40	EEGB	
CN(C)c1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1	252521	PNBBMZPJQWZZRG-CPNJWEJPSA-N	336.399	2.038	50	40	EEGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C(C)C)c(OC)c1	1786071	YNHGATDSKYFPND-NTEUORMPSA-N	328.368	2.466	50	40	EEGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)c1	59133243	MSKHTFWULJWGPD-XNTDXEJSSA-N	335.363	2.405	50	40	EEGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	408814967	ZXVINYHXVDDACQ-RVDMUPIBSA-N	341.411	2.167	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)sc(N)c1C#N	98087086	NFNSICBIKJYZEJ-REZTVBANSA-N	329.341	2.183	50	40	EEGB	
C=CCOC(=O)N1CCC[C@H](OC)[C@H]1CC(=O)CBr	34254431	SAWQYKHJYLJONO-NEPJUHHUSA-N	334.210	2.143	50	40	EEGB	in-vitro
CCc1nc(SCC(=O)NNC(=O)C(C)C)c2ccccc2n1	4217179	RANCGPUEMGNWHP-UHFFFAOYSA-N	332.429	2.088	50	40	EEGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	5721359	LTLGNANHDUQPEG-XDHOZWIPSA-N	327.409	2.175	50	40	EEGB	
CC(=O)NC1(NC(C)=O)[C@@H](Br)[C@H]2C[C@@H]1[C@@H](C)C2(C)C	4529819	PZUFEEFEZRVVMO-PUYANOKMSA-N	331.254	2.030	50	40	EEGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(N)=O)cc2)cc1	59117617	WUDNYFBLMQKFDT-GDNBJRDFSA-N	335.363	2.405	50	40	EEGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OC	107539623	RRDXZQDFCXZZCM-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccccc1F	4830074	SSJZYXBIWWKTAE-UHFFFAOYSA-N	344.371	2.255	50	40	EEGB	
CCOP(=O)(OCC)[C@@H]1C(=O)NC(N)=C(C#N)[C@H]1c1ccccc1	15082377	ZLDUYUVUUQIDNA-KGLIPLIRSA-N	349.327	2.229	50	40	EEGB	
CCc1ccccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O	408774649	PZFPJGVSPOUVPZ-UHFFFAOYSA-N	337.445	2.061	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1O[C@H](C)C(=O)O	409017528	XCEMDWPXZJUTLW-LGQZLYSRSA-N	348.380	2.373	50	40	EEGB	
Cc1csc2nc(-c3ccccc3)c(/C=N/NC(=O)CN(C)C)n12	1615518	DDRJXOZJRMQGDP-GIJQJNRQSA-N	341.440	2.383	50	40	EEGB	
CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1O	370232	XTMFHUIXCKOGLQ-ZVCOJXFSSA-N	343.383	2.447	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)[C@H](C)NC(=O)c2ccccc2Cl)n1	22234120	NIHGHYGZWILUGR-NSHDSACASA-N	347.806	2.008	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(O[C@H](C)C(=O)O)cc2)cc1	39557400	ARASZNBDZKOSNI-ZGXHQARYSA-N	342.351	2.311	50	40	EEGB	
COC(=O)c1ccccc1N/C=C(/C#N)C(=O)NCc1ccco1	102673270	IRQZKELMOSBEFP-BENRWUELSA-N	325.324	2.202	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1O	7343687	MQHJUNGXLNLXII-HNNXBMFYSA-N	331.331	2.452	50	40	EEGB	
CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1	3162115	WRAZGGMLZTVNRW-ZXMBATIKSA-N	329.312	2.138	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1C	220838	DEMLDWOGOGMFBN-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
O=C(CN1CCOCC1)NNc1c2ccccc2nc2ccccc12	20463299	KGMMODOCQMGGSJ-UHFFFAOYSA-N	336.395	2.163	50	40	EEGB	
O=C(Cc1ccccc1)NC(=S)NNC(=O)c1ccc(Cl)cc1	6885047	XDDADBMURWSKSX-UHFFFAOYSA-N	347.827	2.218	50	40	EEGB	
O=C(Cn1cnc2ccccc2c1=O)N/N=C/C=C/c1ccccc1	1769189	NRPPWZDKCDKKRK-XZHCKZKCSA-N	332.363	2.212	50	40	EEGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc(C)c1O	106320033	YGSNGLSZPSXXRO-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	71335741	HHWFIMXSPVUCMY-LZYBPNLTSA-N	344.283	2.281	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc(O)cc1O)C[C@@H]2O	253498585	SLJZDUYMZZFUJQ-QGTPRVQTSA-N	332.400	2.125	50	40	EEGB	
COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(C(=O)O)o1	6022431	UKVBNVFNAUFIPB-CAOOACKPSA-N	332.312	2.035	50	40	EEGB	
CN(C)c1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1	33389378	RJTYBUMCAIWVAI-HPKGMJOESA-N	325.368	2.043	50	40	EEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1	4486066	QLFJLYFOIWHRKU-FMIVXFBMSA-N	326.274	2.116	50	40	EEGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1)C(N)=O	59416968	IPELSPSQZZPTIX-WEVVVXLNSA-N	328.240	2.155	50	40	EEGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(N2CCOCC2)cc1	6297451	ULHLOGLTAGIXSC-KGENOOAVSA-N	338.411	2.085	50	40	EEGB	
COc1cc(/C=C2\S/C(=N\NC(C)=O)NC2=O)ccc1OC(C)C	14162171	PKBFVHIAUJVWKR-ZSOIEALJSA-N	349.412	2.093	50	40	EEGB	
O=C(NNC(=S)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1	8346980	CKZAYODCSKFUED-UHFFFAOYSA-N	334.332	2.365	50	40	EEGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(C)=O)cc1OCC	409017354	FXRATWCBVDXXGM-CAOOACKPSA-N	342.779	2.151	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1	408871677	ZVLQUJZNWLSRID-YVLHZVERSA-N	329.312	2.463	50	40	EEGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccn1	15341857	PQOXRGMRCOJUGL-UHFFFAOYSA-N	340.166	2.228	50	40	EEGB	
Cc1c(C(=O)NNC(=O)Cc2cn3ccccc3n2)oc2ccccc12	69416180	GXSOHEJQMGIHBR-UHFFFAOYSA-N	348.362	2.393	50	40	EEGB	
Cc1ccccc1NCC(=O)NNC(=S)NCc1ccccc1	4615267	BDCASAQOLGIZTJ-UHFFFAOYSA-N	328.441	2.102	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)cc2OC)c1	581643	DLRZKMGPEWMGGH-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	5550194	ZUEVSQKEARMLSV-GJZGRUSLSA-N	345.786	2.113	50	40	EEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	5670594	BOSCSYIPJPPBEA-UDWIEESQSA-N	339.351	2.127	50	40	EEGB	
O=C(NCc1ccccc1)C(=O)N/N=C\c1c(F)cccc1Cl	59503183	MWANJQGKSRTSRB-JMIUGGIZSA-N	333.750	2.246	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(C)cn23)c1O	32125492	FBODZLGEXVBOND-DJKKODMXSA-N	338.367	2.429	50	40	EEGB	
CCc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	5477259	KYMADFCSGRRVSW-XDHOZWIPSA-N	325.368	2.346	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1OC	5514249	ZHKTZAPBKVGFRL-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(OC(F)(F)F)cc21	201299007	CVPJJNRTLCYWFL-UHFFFAOYSA-N	345.082	2.003	50	40	EEGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@@H]2C1	4453003	YNZWMYRJJBSIFA-CABCVRRESA-N	339.399	2.057	50	40	EEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1O	59101743	BLPRUHXPELLJJD-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccn2)cc1	2748886	HYAGMDKHTNIREQ-DEDYPNTBSA-N	340.383	2.349	50	40	EEGB	
COC(=O)COc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1	409240133	FQQJRYTVDIEDFX-JAIQZWGSSA-N	344.342	2.070	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc2c(c1)OCCO2	408722187	QXQVBBFILFMCKH-RQZCQDPDSA-N	342.380	2.239	50	40	EEGB	
CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	20026705	RUIDLYFNTFIYMC-PVAVHDDUSA-N	335.436	2.492	50	40	EEGB	
Cc1ccc(NNC(=O)CNC(=O)Cc2ccccc2)cc1Cl	30550810	FQZDGVJVIVABNN-UHFFFAOYSA-N	331.803	2.450	50	40	EEGB	
COc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21	32608425	LYNFXDVXZZZZPD-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	58883045	PPSRMYHHVASKEB-GRSHGNNSSA-N	330.315	2.141	50	40	EEGB	
C/C(=N/NC(=O)COc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1	71804898	DLKNILKXXFXKJS-UNOMPAQXSA-N	338.323	2.386	50	40	EEGB	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1cccs1	5946224	ORXSTDPWZKKMRS-CMDGGOBGSA-N	331.422	2.097	50	40	EEGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21	15225928	QJUVHRLFJIWVCN-LCYFTJDESA-N	325.368	2.200	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(Cl)cc1	19954253	NWMURKQVUQIUNA-UHFFFAOYSA-N	343.836	2.152	50	40	EEGB	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)NNC(=O)c1ccccc1	40498169	NXJUIIAOFMANMW-UHFFFAOYSA-N	349.394	2.359	50	40	EEGB	
N#CC1=C(N)SC(N)=C(C#N)C1c1cc2c(cc1Cl)OCO2	245804	IDABUMIPLWBUQF-UHFFFAOYSA-N	332.772	2.287	50	40	EEGB	
Cc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c(C)c1	408773271	QHSATNUKUIRFMC-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1	408803848	AYMKMAYKUSBZLH-QQFZQELXSA-N	330.384	2.450	50	40	EEGB	
CCOc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	3162158	NMDXHUKQHZRZNY-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cccnc1	13562706	BLVKIQPMXKMREF-FYJGNVAPSA-N	339.399	2.282	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	60501	UAAGVIDZJPRVON-VCHYOVAHSA-N	328.328	2.166	50	40	EEGB	
COc1cc(OC)cc(C(=O)NNC(=O)/C=C/c2ccccc2)c1	51504	ISKRKSGEVBIMSW-CMDGGOBGSA-N	326.352	2.178	50	40	EEGB	biogenic
CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OCC	63917	RUKUVKCVXWHXCN-LDADJPATSA-N	336.388	2.087	50	40	EEGB	
CC(C)[C@H](Br)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C	408535039	XGHSZQKXGFYQKO-LBPRGKRZSA-N	340.221	2.235	50	40	EEGB	
CCC(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C	69899113	SNKMWDNJQWYUKP-UHFFFAOYSA-N	332.404	2.065	50	40	EEGB	
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)O	5002720	GVVDWKYHDKORLQ-YVLHZVERSA-N	327.296	2.447	50	40	EEGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1O	4600070	NLWKVVHFOVESBN-YVLHZVERSA-N	329.312	2.089	50	40	EEGB	
O=C(N/N=C/c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409159253	VMJDVVTXRNUFGM-XLTHYULKSA-N	325.343	2.329	50	40	EEGB	
COC(=O)[C@@H](CNC(=O)CBr)Cc1ccc(Cl)cc1	95097990	PIZBDSUTBCYYQZ-SNVBAGLBSA-N	348.624	2.183	50	40	EEGB	
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)[nH]n1	4551800	MZTXZNUASHYEII-VCHYOVAHSA-N	338.323	2.294	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1O	408872081	KDQVXNSCAXMQON-MFOYZWKCSA-N	345.311	2.169	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OC	257124	CRTKDYJYDXQRGI-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	biogenic
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc(F)c1	409093965	BYHMSKRJNXJAAX-DEDYPNTBSA-N	327.359	2.426	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cncc3c(Cl)n[nH]c23)cc1	32616848	AXAKRUWIOQBNCO-CNHKJKLMSA-N	329.747	2.384	50	40	EEGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c1	409127448	CRUIZIFLGHFIKA-QGZVFWFLSA-N	339.395	2.434	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1	585128141	TWLJKAXEQSTEJR-CHWSQXEVSA-N	347.553	2.044	50	40	EEGB	
NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc(Cl)c1	13133439	OCVTZBWTLWSFBB-HEHNFIMWSA-N	341.754	2.431	50	40	EEGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2)c1O	36236324	JHMWCMNOQGJWOS-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl	3885314	FGRQWWJXHNUVFP-UHFFFAOYSA-N	330.837	2.347	50	40	EEGB	
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(N)=O	4205529	AIWCXHBDLFMEDD-JLHYYAGUSA-N	346.346	2.188	50	40	EEGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccnc1	5322950	DTCTWGZLMPEBEN-GFCCVEGCSA-N	327.365	2.456	50	40	EEGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	3660038	FPXMDDXXMRWJHY-CNHKJKLMSA-N	340.166	2.353	50	40	EEGB	
CCCCCCOc1ccc(C(=O)NNC(=S)NC(C)=O)cc1	12138024	BXLYKQHUZIZRSK-UHFFFAOYSA-N	337.445	2.301	50	40	EEGB	
CN1/C(=C(\C#N)C(=O)CSc2nnc(N)s2)Nc2ccccc21	100822156	GKDDSBDQEFWRTR-XYOKQWHBSA-N	344.425	2.079	50	40	EEGB	
C#CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1	107681054	NSNPUSOGQPIYFU-DEDYPNTBSA-N	335.363	2.421	50	40	EEGB	
CN1C(=O)[C@@]2(C[C@@H](I)CO2)c2ccccc21	26897525	CWBDOKADQITBKQ-PRHODGIISA-N	329.137	2.082	50	40	EEGB	
CCN1CCN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)CC1	96767588	FFNKJFXEUQTQQH-KAMYIIQDSA-N	335.354	2.359	50	40	EEGB	
COc1ccc(/C=C2/SC(=O)N(C[C@@H](O)CCl)C2=O)cc1	1442627	IJIPPNZNPOGOMD-PQTFEYQYSA-N	327.789	2.331	50	40	EEGB	
CCOc1ncccc1C(=O)NNC(=O)c1cc2c(s1)CCC2	17445506	ILOKSMVNWIFFTC-UHFFFAOYSA-N	331.397	2.105	50	40	EEGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O	169886826	AZNJCDKHSLTXNY-MFOYZWKCSA-N	345.311	2.082	50	40	EEGB	
Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NN)o2)n1	95098625	KFAAETVTKXFGRJ-UHFFFAOYSA-N	332.307	2.293	50	40	EEGB	
C#CCCOC(=O)C[C@@H](NC(=O)CCl)c1ccc(F)cc1F	1615055967	VDVMOOSUDUSGCO-CYBMUJFWSA-N	329.730	2.318	50	40	EEGB	
O=S1(=O)CC[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	169680109	XZWWZQICRWKCLV-NGJRWZKOSA-N	332.057	2.111	50	40	EEGB	
O=C(NNC(=O)c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1	320273	GYOUMPPFYICOFV-UHFFFAOYSA-N	325.733	2.385	50	40	EEGB	
Cc1ccc(NCC(=O)NNC(=S)NCc2ccccc2)cc1	4959744	SFTFHZRTBBJUJG-UHFFFAOYSA-N	328.441	2.102	50	40	EEGB	
CCOC(=O)NNC(=O)[C@H](C(C)C)n1cnc2cc(F)c(F)cc21	61342304	ARBRBKHYJPRFLN-ZDUSSCGKSA-N	340.330	2.289	50	40	EEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(F)cc1	3469129	AAKDJTONUGSQQF-WOJGMQOQSA-N	333.388	2.488	50	40	EEGB	
N#Cc1ccc(OCC(=O)NNC(=O)CCC2CCCCC2)cc1	6448954	UMXDUDMQWCNCOZ-UHFFFAOYSA-N	329.400	2.445	50	40	EEGB	
CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2cccnc2)c1C	6862856	SXGJMVSNQHVLAB-UDWIEESQSA-N	328.372	2.357	50	40	EEGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccn1	7386099	BIQVRWPTQJPGPD-UHFFFAOYSA-N	346.195	2.012	50	40	EEGB	
COc1cc(C(=O)N/N=C(\C)c2ccc(N)cc2)cc(OC)c1OC	12578073	LWFZHAFQYLFNPF-RGVLZGJSSA-N	343.383	2.449	50	40	EEGB	
COc1cccc(C(=O)N/N=C\c2cc(OC)cc([N+](=O)[O-])c2O)c1	109427259	CJFXOBAVOLPZLB-MFOYZWKCSA-N	345.311	2.082	50	40	EEGB	
O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	16480994	DHMHAGYQOJYJIF-SAFRMWJNSA-N	346.427	2.017	50	40	EEGB	
C[C@H]1Sc2ccc(C(=O)NNC(=O)c3cccs3)cc2NC1=O	5823465	RHCNUIVIAXITNW-MRVPVSSYSA-N	347.421	2.256	50	40	EEGB	
COC(=O)N1CCC(=NNC(=O)Cc2c[nH]c3ccccc23)CC1	54871258	PONMUVCXTUTJHW-UHFFFAOYSA-N	328.372	2.045	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@@H](C[C@@H]3C[C@@H]2C3(C)C)[C@H]2C(=O)OC(=O)[C@H]12	103370003	LWJRFRGYHFWQLY-YNHJSRRZSA-N	345.439	2.409	50	40	EEGB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCl)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	6183812	NWASYGSCEIZROR-ODKPTOLQSA-N	338.787	2.180	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1[N+](=O)[O-]	408967658	RLFPLEWVGRZPKW-DJKKODMXSA-N	342.286	2.378	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc(OC)c1O	8565822	UFXQYEQDGINKAC-DNTJNYDQSA-N	340.339	2.050	50	40	EEGB	
CC1(CC(=O)N/N=C/c2ccc(Br)o2)OCCCO1	408720117	XPMGZLISSVKIOO-RIYZIHGNSA-N	331.166	2.035	50	40	EEGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	34829151	XKXZGJCRRRJDIW-YBFXNURJSA-N	340.335	2.341	50	40	EEGB	
O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc2ccccc12	59459503	VQMDDPGIAKGKHH-LPYMAVHISA-N	332.363	2.001	50	40	EEGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@@H]1c1cccs1	3886819	IKBCZZXKROFYMW-SNVBAGLBSA-N	345.218	2.314	50	40	EEGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)OC)=C2C#N)cc1	8973365	VKGINMOSKBSCDT-CYBMUJFWSA-N	346.408	2.330	50	40	EEGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)[C@H](O)c1ccccc1	3027472	RECZGOVVBQSARK-IREQLNLFSA-N	349.184	2.338	50	40	EEGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1	19898707	WLFSFLWVQPWIAA-SAPNQHFASA-N	341.455	2.339	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC#N)c(OC)c2)cc1	8228921	DRCFNVXJVLQNDW-UDWIEESQSA-N	339.351	2.370	50	40	EEGB	
CCS(=O)(=O)CCOP(=O)(c1ccccc1)c1ccccc1	1713525	BJDZNDZTIAVWSH-UHFFFAOYSA-N	338.365	2.367	50	40	EEGB	
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C#N)=C(N)O2	11281989	NLRDBOCNKMTXSD-LBPRGKRZSA-N	338.392	2.266	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)COc2ccccc2)cc1	27525776	CWVCTABXQUHQHX-UHFFFAOYSA-N	331.397	2.092	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2cccc(O)c2)sc2ncnc(N)c12	408972475	CLVJMHRZAKXODZ-KPSZGOFPSA-N	327.369	2.051	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	431507	PNNCANUYJQOBQL-LICLKQGHSA-N	327.296	2.145	50	40	EEGB	
COc1cc(C(=O)NNC(=O)c2ccccn2)ccc1OCC(C)C	14231744	WBGBJCRRTDTYAZ-UHFFFAOYSA-N	343.383	2.200	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1O	59447365	QIAUJCWNWHAZDH-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)N(CC)CC)cc1OCC	59515664	FOJKLMRDKKLOEE-CPNJWEJPSA-N	349.431	2.193	50	40	EEGB	
CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1	225502207	JTLKHYZETQSNDF-UHFFFAOYSA-N	347.440	2.434	50	40	EEGB	
NC(=O)[C@@H](NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1	26223417	DRPPJPWFXAZYON-ITOSSNOYSA-N	341.455	2.440	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	6301685	MRUNEAPXNQANPS-VCHYOVAHSA-N	341.323	2.454	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@H](c1ccccc1OC)C(C#N)=C(N)O2	2202087	ODSYKNMSFOLVKP-MRXNPFEDSA-N	337.379	2.403	50	40	EEGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1N	100923058	URVDYVSWRBRYGR-CIAFOILYSA-N	340.383	2.412	50	40	EEGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21	2440535	DUHYBUYIOGEWLH-INIZCTEOSA-N	337.379	2.311	50	40	EEGB	
C/C(=N\NC(=O)c1ccccc1CO)c1cc2ccccc2oc1=O	68601382	IBTJADNZCNIWGZ-UDWIEESQSA-N	336.347	2.439	50	40	EEGB	
CCCCCCCNC(=O)CCC(=O)NNC(=O)Cc1ccccc1	98045215	STYZIPHELVWVGQ-UHFFFAOYSA-N	347.459	2.243	50	40	EEGB	
O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)CBr	72207492	GNHQYDVJUAFQSM-LBPRGKRZSA-N	326.190	2.116	50	40	EEGB	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1O	73170297	DKVWPBUBLJRDDC-JTQLQIEISA-N	334.759	2.274	50	40	EEGB	
CC(C)COCCCNC(=O)NNC(=O)c1c[nH]c2ccccc12	26265276	NXGUYSLSQLSLHK-UHFFFAOYSA-N	332.404	2.175	50	40	EEGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc2c(c1)OCO2	434807	SKLQEDJWOKJYQN-UFWORHAWSA-N	336.303	2.286	50	40	EEGB	
COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1	5361540	XFLLPHYWZYLPOJ-SLDJAQPHSA-N	337.379	2.198	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O	5949338	UTNHIYRJHBGAAD-UHFFFAOYSA-N	342.376	2.169	50	40	EEGB	
COCc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N	6571355	UNLFJXGCZFGRRQ-UHFFFAOYSA-N	341.327	2.073	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3[nH]2)cc1	9378314	SYHITVQFYACHKY-UHFFFAOYSA-N	340.408	2.425	50	40	EEGB	
O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccn1	17329294	PDTVJNYBKMEOFX-UHFFFAOYSA-N	339.380	2.005	50	40	EEGB	
CCOc1ccc(NC(=O)[C@](C)(CCl)S(=O)(=O)CC)cc1	1860311	UUSVTAXTDNXHPD-AWEZNQCLSA-N	333.837	2.456	50	40	EEGB	
C[C@H](CCN1C(=O)c2ccccc2C1=O)[C@@H](Br)C(=O)O	1715422	AXIKYQVDRNJVTG-LDYMZIIASA-N	340.173	2.157	50	40	EEGB	
CCCOc1cc(Br)c(/C=N/NC(N)=O)cc1OC	2101322	SNKGQWBGKSBSBP-VIZOYTHASA-N	330.182	2.249	50	40	EEGB	
COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1[N+](=O)[O-]	59419223	KHCBMPSCONFKSZ-YVLHZVERSA-N	329.312	2.133	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1O[C@H](C)C(=O)O	409240553	UMQGWEBXCVZBQT-ZGXHQARYSA-N	342.351	2.311	50	40	EEGB	
CCN(NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccc(C)cc1	8884568	MQDYJFMIKUKRPD-UHFFFAOYSA-N	331.376	2.274	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)c(O)c([N+](=O)[O-])c1	408954930	NSJBWMYHAQXUQE-LICLKQGHSA-N	329.312	2.002	50	40	EEGB	
CC[C@@H]1CCCN(CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1	30143891	STORGTUVCMOUKD-MIKWNVPKSA-N	338.411	2.268	50	40	EEGB	
C/C(CC(=O)Nc1cccc(C#N)c1)=N\NC(=O)c1cccc(O)c1	100951164	GIWYVLBTXPHBIE-CIAFOILYSA-N	336.351	2.398	50	40	EEGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	89395	RANFGDZLECAOGY-FQEVSTJZSA-N	347.374	2.188	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC)cc1	3131931	PEUTVPIZLDPGMM-XDHOZWIPSA-N	325.368	2.346	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(OC)c1	6453966	TVIXYRDIUBGSJZ-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
Cc1cc(C)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c(C)c1	217377950	UWGWMTVGGPHOHB-ZDUSSCGKSA-N	329.849	2.371	50	40	EEGB	
CCCc1cc(C(=O)NN[C@H](C(N)=O)c2ccccc2)sc1C	26222898	ZAPFSUSPKNZEPN-HNNXBMFYSA-N	331.441	2.470	50	40	EEGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(N)=O	1714523	SDNBCCDGYFAFEN-BHQIHCQQSA-N	345.978	2.309	50	40	EEGB	
C#CCOc1ccccc1/C=N/NC(=O)c1cc(OC)cc(OC)c1	8339269	HMWQAVYQLZCDQV-DEDYPNTBSA-N	338.363	2.480	50	40	EEGB	
C/C(=N\NC(N)=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	100643604	ZNCCZOAISKRPFH-RGVLZGJSSA-N	336.351	2.089	50	40	EEGB	
CCCCSCC(=O)NNc1nc2ccccc2c(=O)n1CC	24907364	ZZQQHGLTSOZBSE-UHFFFAOYSA-N	334.445	2.393	50	40	EEGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(N)=O)c2)c1	409227983	YRDREFTVDUMNKX-DHDCSXOGSA-N	335.363	2.405	50	40	EEGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccncc1	313803	ORJFZPXOPQLCGI-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
C/C(=N\NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccccc1O	100253024	QOZWCVGVSHYBKY-SKTBVBMLSA-N	330.384	2.354	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1C	16482300	HUDDUJRPDDJTDY-MNOVXSKESA-N	336.413	2.047	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	409120626	UVVARTRJMPZCGI-LDADJPATSA-N	345.424	2.155	50	40	EEGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)NCc1ccccc1	408834355	YAGCRJLNIMTFGJ-CXUHLZMHSA-N	336.347	2.373	50	40	EEGB	
O=C(NCC(Cl)Cl)c1c(Br)cncc1[N+](=O)[O-]	1616037909	QKNVFDKZRJUHAK-UHFFFAOYSA-N	342.964	2.286	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cc[n+]([O-])cc1	47650923	DWENKGVERWKDLU-UHFFFAOYSA-N	345.424	2.115	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36020547	RACLROPVTCCAHJ-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CBr)cc1	35604953	WBCGFAZQLDQWJO-UHFFFAOYSA-N	349.250	2.051	50	40	EEGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1OC	5514260	JQJOYLGUKDGGAI-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	354502	NVYHQQXEJVMTEW-WOJGMQOQSA-N	341.323	2.074	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)c(OC)c1	478738	RNIYRQQTLQFKOF-YBFXNURJSA-N	338.367	2.424	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCC(=O)O	9201932	OEXWBTNIKDWATM-VXLYETTFSA-N	342.351	2.231	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)Cc2csc(C)n2)cc1	7561075	JITULOURNRGFIC-UHFFFAOYSA-N	336.442	2.020	50	40	EEGB	
O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccccc1F	409264737	PTTFJVACPUVNKD-QGMBQPNBSA-N	335.722	2.274	50	40	EEGB	
O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccccc1	32124656	RCQKNBKDKXEDPA-BOPFTXTBSA-N	345.380	2.443	50	40	EEGB	
COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)c1ccco1	100530229	CWBVSVXAQIRAHG-XDHOZWIPSA-N	329.356	2.100	50	40	EEGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccnc1)c1ccccc1	408977466	DOUFPEDOLQTOGK-RBYWHNRPSA-N	340.383	2.409	50	40	EEGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c1	408963854	BANVAHLQJGBMDM-VXLYETTFSA-N	328.372	2.273	50	40	EEGB	
CC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C(F)(F)F)cc21	223745206	XUQHWPRFQJICOO-UNOMPAQXSA-N	343.330	2.008	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1	4113752	DFRMZENCZWVOHO-FYJGNVAPSA-N	339.395	2.160	50	40	EEGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccccc1	408995707	MXMVCUCWIRYDKP-WOJGMQOQSA-N	342.355	2.190	50	40	EEGB	
COC(=O)[C@H]1C(=O)N2CCCSC2=C(C#N)[C@@H]1c1cccs1	129329	PUFMKBQYAMNPLU-VXGBXAGGSA-N	334.422	2.335	50	40	EEGB	
C/C(NCC(C)(C)CN(C)C)=C(/C#N)C(=O)NCc1ccccc1	20841847	SFESIDZANJVUFM-BMRADRMJSA-N	328.460	2.278	50	40	EEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Cl)cc1	536656	ASLPPUITGCHKBN-ZDUSSCGKSA-N	330.727	2.004	50	40	EEGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)C)c(C)n1-c1ccc(F)cc1	408971073	HDWOCJMIRWQOFG-KEBDBYFISA-N	344.390	2.208	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1cncc2c(Cl)n[nH]c12	32616846	QFYXZVZLUUYJEO-CNHKJKLMSA-N	329.747	2.384	50	40	EEGB	
CC(=O)Nc1cc(NC(C)=O)c(C(=O)CCl)cc1C(=O)CCl	4265907	FPRMCDFNLGNXCM-UHFFFAOYSA-N	345.182	2.446	50	40	EEGB	biogenic
CCn1c(SCC(=O)NN)nnc1-c1ccc(C(C)(C)C)cc1	36724735	LCNYLQRZYLLEDG-UHFFFAOYSA-N	333.461	2.345	50	40	EEGB	
O=C(N/N=C/c1ccco1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	6221981	TVOPTKYLUVXDPI-LICLKQGHSA-N	339.311	2.197	50	40	EEGB	
COc1ccc(/C=C2/SC(=O)N(C[C@H](O)CCl)C2=O)cc1	1442625	IJIPPNZNPOGOMD-HAAVITCDSA-N	327.789	2.331	50	40	EEGB	
COc1ccc(-c2cc(C(=O)NNC(=O)c3ccsc3)[nH]n2)cc1	12682946	GYRDHAWDXPGOSC-UHFFFAOYSA-N	342.380	2.222	50	40	EEGB	
CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1	409000206	XRMWNGOPBLEAKL-UHFFFAOYSA-N	325.368	2.418	50	40	EEGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	4699988	MRTQMANMOHCMLW-BKQORJHRSA-N	326.352	2.379	50	40	EEGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C#N)cc2)c1C	7765199	UIQLINXWJVCIEL-CQSZACIVSA-N	337.379	2.404	50	40	EEGB	
C/C(CC(=O)Nc1cccnc1)=N\NC(=O)COc1ccccc1C	4180647	DKALSMLTKTZJEW-KGENOOAVSA-N	340.383	2.290	50	40	EEGB	
CC(=O)OCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1	546856	PVYFKDBWJYEILU-OAHLLOKOSA-N	328.324	2.157	50	40	EEGB	
CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O	4517114	FKSGVOCRSDQFEF-HXUWFJFHSA-N	349.390	2.126	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2c(OC)cccc2OC)cc1OC	6583702	VIQFGWOQFADSLN-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
O=C(NNC(=O)c1cccnc1O)c1cc2c(s1)CCCCC2	12895029	GTZTZJUDZDDFHH-UHFFFAOYSA-N	331.397	2.192	50	40	EEGB	
CC(=O)N/N=C/c1cc(Cl)cc(I)c1O	409016282	SZFNUIQAUUKSIH-UUILKARUSA-N	338.532	2.120	50	40	EEGB	
CCCc1nn2c(/C=N/NC(N)=O)c(-c3ccccc3)nc2s1	41074141	PAZVSZYJXRETMA-RQZCQDPDSA-N	328.401	2.413	50	40	EEGB	
COC[C@@H](C)n1c(C)cc(/C=C(C#N)/C(O)=N/S(C)(=O)=O)c1C	48479630	ARHNUZDSTHGERM-LLUUXILJSA-N	339.417	2.135	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNc2cccc(C)c2)cc(OC)c1O	223463	KCOZHEYMTBDHJP-KEBDBYFISA-N	343.383	2.280	50	40	EEGB	
O=C(NC(=S)NNC(=O)c1cc2ccccc2o1)c1ccccc1	2373644	GMHGNABWNIPSNT-UHFFFAOYSA-N	339.376	2.382	50	40	EEGB	
CCc1sc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1C	7387141	UCRJFWBPSPIQFN-UHFFFAOYSA-N	342.417	2.381	50	40	EEGB	
Cc1ccn2c(C(=O)N/N=C/c3ccccc3C(=O)O)c(C)nc2c1	409016077	UKTXZDDMFYGBLS-VXLYETTFSA-N	336.351	2.413	50	40	EEGB	
O=S1(=O)C[C@H](/N=C/c2ccc(Br)cc2)[C@@H](Cl)C1	5893902	NBMCEIAKWVVTFS-CAUSVYEYSA-N	336.638	2.272	50	40	EEGB	
COC(=O)N[C@@](C#N)(C(Cl)Cl)[C@@H]1CCC=C1N1CCOCC1	101411795	NYUODDVJIISVCR-QMTHXVAHSA-N	348.230	2.035	50	40	EEGB	
CC(=O)Nc1cccc([C@@H](C)NC(=O)NNC(=O)c2cccs2)c1	26378676	ZYTQEHLRLYJCDN-SNVBAGLBSA-N	346.412	2.412	50	40	EEGB	
O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1ccccc1F	2644626	NKYOUQYXXOQOQS-UHFFFAOYSA-N	328.343	2.154	50	40	EEGB	
CCOc1cccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1	408590605	PVSJKTJDQWTBHD-KEBDBYFISA-N	341.367	2.376	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc2c(c1)OCO2	8160254	VVTLCVWYRGOWOI-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
CC(C)(C)NC(=S)NNC(=O)c1cccc(Br)c1	13598045	NNCRGZBERSELQH-UHFFFAOYSA-N	330.251	2.357	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1	408975027	IQPZOYLDLVSGBF-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
Cc1c(C(=O)NNS(=O)(=O)c2cccs2)oc2ccccc12	7380297	UHHWZPQDDIRNOB-UHFFFAOYSA-N	336.394	2.426	50	40	EEGB	
CCS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)CCl)c1	255189879	SSPSCEQKHWBBPT-UHFFFAOYSA-N	332.230	2.072	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1NCc1ccco1	104378398	FWRBYEWFEBZAQG-QINSGFPZSA-N	339.351	2.374	50	40	EEGB	
O=C1[C@@H](Cl)[C@H](c2ccccc2)N1n1cnc2ccccc2c1=O	5838530	HLHROVPJYKTBGW-GJZGRUSLSA-N	325.755	2.223	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(N(C)C)cc1	50596	UVQHUEGLOYMMMT-UDWIEESQSA-N	326.400	2.323	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(C)o2)cc1	6450717	RYGIUKVSJRNWBR-ZHACJKMWSA-N	328.368	2.390	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1O	59472240	PXQXBUGZEBSAKA-VXLYETTFSA-N	341.367	2.106	50	40	EEGB	
Cc1occc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	7518672	TZWQFVIQWPQTFZ-UHFFFAOYSA-N	334.397	2.090	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(N(C)C)cc1	408568704	WEXKNPIXVOMGBM-WOJGMQOQSA-N	342.355	2.433	50	40	EEGB	
Cc1ncccc1O[C@H]1CCN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1O	585290303	UVNNLYFPFKREPD-SZPPPQKLSA-N	343.427	2.227	50	40	EEGB	
CCC1(CC)[C@H](ON=C(C)C)NC(Cl)=C(C#N)[C@]1(C#N)C(N)=O	22172454	HHFVHSULLXQFLP-DZGCQCFKSA-N	337.811	2.104	50	40	EEGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1	2239847	QUPIIQUOJPJUPH-INIZCTEOSA-N	337.379	2.311	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=S)NCc2ccccc2)cc1	13544386	RDKNNIHMZVWZBV-UHFFFAOYSA-N	329.425	2.069	50	40	EEGB	
C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1	6625447	ZDKAZTYDVWHVLN-YBFXNURJSA-N	340.774	2.470	50	40	EEGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@H]2C1	33651933	HXRLDRLVUGPECD-ROUUACIJSA-N	344.422	2.215	50	40	EEGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OC	3231303	HOEYXWSPHKKRDP-BJMVGYQFSA-N	337.173	2.415	50	40	EEGB	
Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)cc1	4402309	RYOGBLRTQIZHIH-UHFFFAOYSA-N	338.323	2.298	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	30802326	YPTVVAKTTMMOFU-IUXPMGMMSA-N	349.730	2.483	50	40	EEGB	
CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2C)n1	28287092	ZLBJTYVIZCVDFV-UHFFFAOYSA-N	336.804	2.235	50	40	EEGB	
CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCl)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	6183871	NWASYGSCEIZROR-HQUPKQIFSA-N	338.787	2.180	50	40	EEGB	biogenic
COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1	36748285	MHDFACQYVKMRKA-GIJQJNRQSA-N	344.327	2.185	50	40	EEGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccccc1F	218742407	BYNKZLIHZTXIBH-UHFFFAOYSA-N	341.342	2.412	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cccc(O)c2)cc(OC)c1OC	3136433	WGEHDNPGONYFOL-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
O=C(NNC(=O)c1ccccc1Br)c1ccccc1O	3155807	FFDVQVNSSFWEJE-UHFFFAOYSA-N	335.157	2.230	50	40	EEGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(N)=O)c1C	107604253	GPIWKMJZIAEEOZ-CAOOACKPSA-N	331.332	2.013	50	40	EEGB	
COCc1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	4075018	UONOBGKRLGWJEE-HNNXBMFYSA-N	333.351	2.322	50	40	EEGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCCC2)o1	408851229	WPNZWFJKFUNDSV-UNOMPAQXSA-N	343.383	2.418	50	40	EEGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cccc([N+](=O)[O-])c1	100510175	ABSYBKFVZJHEGT-WOJGMQOQSA-N	344.327	2.000	50	40	EEGB	
CCCNC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	3427222	PQMWVYSMJDUDJJ-MHWRWJLKSA-N	331.416	2.491	50	40	EEGB	
COc1cc2c(cc1/C=N/NC(=O)c1ccc(C#N)cc1F)OCO2	408966944	ODKWQBIGCNYHOE-DNTJNYDQSA-N	341.298	2.199	50	40	EEGB	
O=C(COc1cc(Cl)ccc1Cl)NNC(=O)c1ccco1	7039968	PHAORWBOMZNKIE-UHFFFAOYSA-N	329.139	2.426	50	40	EEGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(F)cc1	408972527	DISBYUOSDUCJBG-BTZNOAQDSA-N	339.370	2.292	50	40	EEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1\CCCc2ccccc21	6287298	PFWHSTXGHPXTEY-LVZFUZTISA-N	346.394	2.197	50	40	EEGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccc(Cl)cc1	4079677	QIGWLXQUULXXLW-RGVLZGJSSA-N	329.787	2.149	50	40	EEGB	
O=C(NS(=O)(=O)c1ccc(Br)cc1)C(Cl)Cl	3077922	ZSWWUEWLLMFNLI-UHFFFAOYSA-N	347.017	2.058	50	40	EEGB	
CCOC(=O)/C(C#N)=C(/SC)[C@H]1CCC/C1=C(/C#N)C(=O)OC	100993103	IILSDBJWSOJFDB-VDSAHHCSSA-N	334.397	2.483	50	40	EEGB	
C#CCOc1ccccc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	107681943	JEYHZSLVUXMDGD-DEDYPNTBSA-N	335.363	2.421	50	40	EEGB	
CC[C@H](C(=O)N/N=C/c1ccc(F)s1)n1nc([N+](=O)[O-])cc1C	252488266	IOIXFRASGDGHMZ-MIJYTDESSA-N	339.352	2.402	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1[N+](=O)[O-]	62154	XQPCPELRLQSQHI-VCHYOVAHSA-N	343.339	2.441	50	40	EEGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCOCC1	20428759	CFZRCBGGGBJIFG-YHYXMXQVSA-N	327.167	2.465	50	40	EEGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1O	320297	YXWKZOKDIMSTRT-UHFFFAOYSA-N	336.347	2.385	50	40	EEGB	
N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)NC(N)=O	409232186	OOMMFTMYOYUOOF-CLTKARDFSA-N	333.145	2.032	50	40	EEGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(O)c([N+](=O)[O-])c1	408846295	JGYAUKPRWDVXHF-BAQGIRSFSA-N	340.133	2.058	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1	582767	DAFCMUUZEXOPQP-VCHYOVAHSA-N	325.324	2.107	50	40	EEGB	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1O	4230226	CVVRBJAWCNOJJJ-WSDLNYQXSA-N	347.374	2.426	50	40	EEGB	
O=C(NNC(=O)c1ccccc1O)c1cc2ccccc2c(=O)s1	12030514	BVXYRMRYYMCRJP-UHFFFAOYSA-N	340.360	2.042	50	40	EEGB	
O=P(c1ccccc1O)(c1ccccc1O)c1ccccc1O	101447457	LWKUFDIGHFIDQI-UHFFFAOYSA-N	326.288	2.443	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	36847	SELWYIKBEUMYMX-OAHLLOKOSA-N	342.351	2.118	50	40	EEGB	
COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1	1632067	SHZUIMLRNWAUEX-IAGOWNOFSA-N	344.798	2.460	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1C	16482302	HUDDUJRPDDJTDY-QWRGUYRKSA-N	336.413	2.047	50	40	EEGB	
COc1ccc(CNC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)cc1	408818342	PLPKEJMAIXMISG-ICFOKQHNSA-N	333.347	2.241	50	40	EEGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cccnc2)cc1OC	33471966	YTQPLEVYTPSIJB-YBEGLDIGSA-N	337.379	2.365	50	40	EEGB	
NNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1	1438168	NSTVHLDMBDRDRM-UHFFFAOYSA-N	334.719	2.104	50	40	EEGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC1CCCC1	21961621	QPBFUGIKGSGTJT-VZUCSPMQSA-N	329.312	2.289	50	40	EEGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1O	3127185	YDLSCZWYOUXYEB-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)c2ccccc21	4164881	VRJGJKQIOYOBEW-LJQANCHMSA-N	349.394	2.272	50	40	EEGB	
CCOC(=O)/C=C/C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	5457263	YPQPESSYIRXKLB-OUKQBFOZSA-N	338.363	2.234	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	3008781	MLUWELJNDLMGDC-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
O=C1CCS/C1=C/NNC(=O)c1ccc(Br)cc1	105337272	WHAYEFWMABXDDN-YRNVUSSQSA-N	327.203	2.231	50	40	EEGB	
O=C(CNC(=O)c1cccs1)N/N=C/c1c[nH]c2ccccc12	4086450	LLAMGLPNJVZGQE-DJKKODMXSA-N	326.381	2.110	50	40	EEGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccc(N3CCOCC3)c(Cl)c2)C1	45958133	GFBYBZPLZPJIBA-JTQLQIEISA-N	343.210	2.295	50	40	EEGB	
C/C(=N\NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1O	13122736	QOZWCVGVSHYBKY-RIYWLQNKSA-N	330.384	2.354	50	40	EEGB	
CC[C@H](NNC(=O)c1c[nH]c2ccccc12)C(=O)Nc1cc(C)on1	14199095	GTWUKCQFUXELRR-ZDUSSCGKSA-N	341.371	2.116	50	40	EEGB	
Cc1occc1C(=O)NNC(=O)COCc1nc2ccccc2s1	16514938	DFDMFCVHXHPFCV-UHFFFAOYSA-N	345.380	2.176	50	40	EEGB	
O=C(COc1ccccc1Cl)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36234134	GEOHOQHKOACWMW-CAOOACKPSA-N	349.730	2.483	50	40	EEGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3101245	LDKCLCAUSCITAW-WOJGMQOQSA-N	340.339	2.246	50	40	EEGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1	36020496	PEYPSMKJNNUVPR-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
N#CC1=C(N)NC(S)=C(C#N)[C@H]1c1cccc(Br)c1	125415	SRYHWYLCJGWKHZ-NSHDSACASA-N	333.214	2.495	50	40	EEGB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C	103916774	VHKBPOIYOMYDQL-WJDWOHSUSA-N	332.379	2.489	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCC(=O)O	4590565	KNOJQIRLQOUTBT-MDWZMJQESA-N	344.367	2.124	50	40	EEGB	
Cc1c(/C=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc2n1C	408811791	ANZYSTUNQRKAPI-WSDLNYQXSA-N	348.406	2.367	50	40	EEGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@H]1c1cccs1	409138085	ZTKXFFNAMJRZKM-LLVKDONJSA-N	347.465	2.442	50	40	EEGB	
Cc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1Cl	40177623	GNMNCMWEBAXSSM-NSHDSACASA-N	336.240	2.407	50	40	EEGB	
CCCCC1=C(O)/C(=N\NC(=O)C[N+](C)(C)C)c2ccccc2C1=O	18251937	YHDANDSERURQDS-UHFFFAOYSA-O	344.435	2.412	50	40	EEGB	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1	2132133	HQZZFFAZVDYGPH-UHFFFAOYSA-N	325.368	2.175	50	40	EEGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccccc1	8474830	HGPVWMBJGZUJGG-JOGIVDDZSA-N	336.185	2.196	50	40	EEGB	
CN(CCC#N)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1	5393766	SNXUSJGADLMPGV-UDWIEESQSA-N	338.367	2.212	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2c(c1)CCO2	161882	KWELIDBQDROCMM-INIZCTEOSA-N	326.352	2.266	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)[nH]c(C#N)c1C	140946	YANVOFOBTHMCOJ-HNNXBMFYSA-N	326.356	2.148	50	40	EEGB	
CS(=O)(=O)c1ccc2nc(NC(=O)C(Cl)Cl)sc2c1	2357589	GYHJJBJYYORURR-UHFFFAOYSA-N	339.225	2.442	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(O)cc1	12362348	VMAYVHPHVZRYEZ-GZTJUZNOSA-N	329.312	2.220	50	40	EEGB	
COC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	97990715	JBSQNORQBNEPEW-CGYDICSFSA-N	338.791	2.415	50	40	EEGB	
CCc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1	409028547	ORMBEYWMVFEHNI-UHFFFAOYSA-N	337.445	2.061	50	40	EEGB	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl	408817005	VNVUBYYUSXAFHX-KPKJPENVSA-N	338.791	2.417	50	40	EEGB	
COc1cccc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)c1OC	12371631	UKZASXCPICVVKL-ZDLGFXPLSA-N	328.372	2.070	50	40	EEGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1cnccn1	15989911	AHCAFGQGDJKOKI-UKWGHVSLSA-N	340.774	2.388	50	40	EEGB	
CC(=O)O[C@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	100146187	MALAWQUOUSCHNB-JRTVQGFMSA-N	325.636	2.381	50	40	EEGB	
CC(C)(C)OC(=O)N/N=C1\CCS(=O)(=O)c2ccc(F)cc21	21187717	JYTRSTDZXAYUJX-LFIBNONCSA-N	328.365	2.232	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1O	581180	MQZOOVYTLVNDAR-VCHYOVAHSA-N	327.340	2.123	50	40	EEGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)CCc2ccccc2)c1	5724852	NRLODDFHRLKLEJ-UHFFFAOYSA-N	326.396	2.462	50	40	EEGB	
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)c3ccccc3O)c2)cs1	22259315	CYXXXTSRWZGWGG-UHFFFAOYSA-N	342.380	2.227	50	40	EEGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)CCl)cc1	8733245	ARBFNWUPQAQNMR-UHFFFAOYSA-N	340.807	2.327	50	40	EEGB	
Cc1cc(C)cc(NC(=S)NNC(=O)CN2CCCCCC2=O)c1	13056125	XHBJXXIBOBSGPJ-UHFFFAOYSA-N	348.472	2.024	50	40	EEGB	
Cc1n[nH]c2c1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2	5067936	PHQCHPKZVHBAKL-CQSZACIVSA-N	336.330	2.466	50	40	EEGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@@H]2C1	4457545	DUWXQJJAEFVDQG-MSOLQXFVSA-N	344.422	2.217	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1	581683	TUALPNNUITWCJX-YBFXNURJSA-N	342.351	2.254	50	40	EEGB	
C[C@H](OC[C@@H]1CCCCO1)C(=O)N/N=c1/sc2ccccc2n1C	104152986	UGWUGJAUWDWJEY-FEPXHYCRSA-N	349.456	2.146	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCOCC1)[C@H](Br)C2=O	4263309	PSVKKNZQUJYPMT-KMUNFCNLSA-N	344.249	2.004	50	40	EEGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(CCCC#N)c3ccccc32)cn1	6199602	NMGWATNZZQIUSJ-OQKWZONESA-N	347.378	2.175	50	40	EEGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(OCc2ccccc2)cc1	9835611	WKEKNLPJZFLEJI-KRWDZBQOSA-N	340.379	2.206	50	40	EEGB	
C/C(Cc1ccccc1)=N\NC(=O)Cn1nnc(-c2ccccc2)n1	408977113	VFQMFHRCENKPSV-XMHGGMMESA-N	334.383	2.075	50	40	EEGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1	409185874	RUNISTBWECGMOR-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1	49905	TVXWSWIZGKAOPQ-XLTHYULKSA-N	325.343	2.329	50	40	EEGB	
COc1ccc([C@H](C#N)NNC(=O)Cc2ccccc2)cc1OC	1633707	DDTMPEKDWLRKHB-HNNXBMFYSA-N	325.368	2.132	50	40	EEGB	
CCOc1ccccc1NC(=O)NNC(=O)COc1ccc(F)cc1	2532733	DLCSDWXUZHLJFF-UHFFFAOYSA-N	347.346	2.456	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@@H]1CCCO1	75920583	ISXYFXUFGODWFO-LOWVWBTDSA-N	342.317	2.135	50	40	EEGB	
CC(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1	32747467	XXYBXGCWLVGRAM-UHFFFAOYSA-N	345.424	2.033	50	40	EEGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCN2CCSC2=O)cc1	32819023	LMFQDBVTSHXZIO-UHFFFAOYSA-N	349.456	2.304	50	40	EEGB	
N#CCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	59147749	FSQCMEQNVCDJLX-XDHOZWIPSA-N	338.323	2.190	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1OCC	57509074	AREJURYBKJAQJO-AWEZNQCLSA-N	338.791	2.495	50	40	EEGB	
Cc1nccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n1	58405772	IBSFZYLETLQHPE-UHFFFAOYSA-N	330.413	2.190	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	580143	KSDIQCLCXXUALS-LICLKQGHSA-N	326.312	2.317	50	40	EEGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1	3355755	DBVMBGOQOZMMMI-UHFFFAOYSA-N	326.352	2.119	50	40	EEGB	
COCCCNC(=O)CC(=O)NN=C1CCC(C(C)(C)C)CC1	59435611	UJFQDRKRQOCWLJ-UHFFFAOYSA-N	325.453	2.238	50	40	EEGB	
Cn1ncc2c(NNC(=O)c3ccc(Cl)c(Cl)c3)ncnc21	4338803	FAUTYJYORRIFBO-UHFFFAOYSA-N	337.170	2.427	50	40	EEGB	
C/C(=C\C(=O)NNC(=O)[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2	96298125	PBXWSPAQFNORCC-PAGDYPRUSA-N	332.444	2.476	50	40	EEGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)Cc1ccccc1	408739417	BRENOIIYWVJQJM-NNIWKIFQSA-N	334.379	2.370	50	40	EEGB	
Cc1ccc(Cl)cc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1	217381451	HUYVQWQVQRBFAU-NSHDSACASA-N	336.240	2.407	50	40	EEGB	
NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCCC2)c1ccccc1	26222595	SLNYAVOWSZTLFE-OAHLLOKOSA-N	329.425	2.088	50	40	EEGB	
CCC1(CC)[C@H](ON=C(C)C)NC(Cl)=C(C#N)[C@@]1(C#N)C(N)=O	22172444	HHFVHSULLXQFLP-ZFWWWQNUSA-N	337.811	2.104	50	40	EEGB	
O=C(CCl)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	59483306	YOGRKEHKKVTGSW-UHFFFAOYSA-N	340.792	2.092	50	40	EEGB	
N#CC1(O)CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1	101457457	FUFVAXIMTQPQRJ-UHFFFAOYSA-N	327.409	2.225	50	40	EEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccccc1Cl	20493201	PSFYUCMZSDWYIX-UHFFFAOYSA-N	343.836	2.152	50	40	EEGB	
COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1	5361538	XFLLPHYWZYLPOJ-RVZJCZPVSA-N	337.379	2.198	50	40	EEGB	
C[N+](C)(C)CC(=O)N/N=C/C(Br)=C/c1ccccc1	4263155	CIGBODMUPVYNRX-XMHXKSDUSA-O	325.230	2.231	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1C	30838738	XGJQLUSZZJJKGR-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
COc1ccc(/C=N\NC(N)=O)cc1Oc1nc(Cl)ncc1F	28617622	MEGXQIJONGLAIF-DVZOWYKESA-N	339.714	2.072	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1OC	4515214	DKBKGFVHDLSYIH-VXLYETTFSA-N	344.367	2.116	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1	409047059	MLDCYWPXDLNBOY-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)cc1[N+](=O)[O-]	409370181	MKHXVKYQEMOGQU-XDHOZWIPSA-N	348.403	2.366	50	40	EEGB	
N#CC1=CC[C@H](NC(=O)c2ccccc2)[C@@H](NC(=O)c2ccccc2)O1	4267630	OAWOECMKRMOSGB-PXNSSMCTSA-N	347.374	2.369	50	40	EEGB	biogenic
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(OC)cc1	15423073	KCPCQGZFLDRTBA-GFCCVEGCSA-N	343.221	2.314	50	40	EEGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cc(F)ccc1O	102979253	HEIXCBYILQMDKT-JJLFXSABSA-N	330.315	2.212	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)o1	408973266	KWUYFDAGPIDTRU-RPJLVFAOSA-N	325.368	2.054	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Cl)c1O	409385793	JFEHRJXZOFUJNO-DJKKODMXSA-N	339.823	2.427	50	40	EEGB	
Cc1c(C(=O)n2cc(C(=O)NN)c3ccccc32)cccc1[N+](=O)[O-]	216960494	XCZGJGBBOJGYTJ-UHFFFAOYSA-N	338.323	2.150	50	40	EEGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	59501686	NBQZJXNHBWQVRX-KGENOOAVSA-N	337.379	2.018	50	40	EEGB	
CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)N2	8382922	HSECVGUAJKCHOV-SNVBAGLBSA-N	345.815	2.396	50	40	EEGB	
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc2ccccc2c1	6541287	GYIDDQXKCXTBNG-OAHLLOKOSA-N	329.425	2.128	50	40	EEGB	
CCOC(=O)NNC(=O)c1ccc(OCc2c(C)noc2C)cc1	21770246	IREAYJVRUWHZSR-UHFFFAOYSA-N	333.344	2.261	50	40	EEGB	
CC(=O)NN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21	33014613	RBKVBIYDWIUGQI-GZTJUZNOSA-N	335.363	2.164	50	40	EEGB	
C[C@H](Oc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1)C(=O)O	59302909	CMQPNFPFHMADGF-HCZVKUGISA-N	326.352	2.231	50	40	EEGB	
O=C(NC[C@H](O)c1ccc(Cl)cc1)NNC(=O)c1cccs1	29327575	JZUXKCPETJZURG-NSHDSACASA-N	339.804	2.079	50	40	EEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1Cl	59516252	OXLMBSAFJCUQBG-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1O	5467368	MQGABZKKISZWRG-YBFXNURJSA-N	344.367	2.329	50	40	EEGB	
C=CCNc1nc(-c2ccc(OC)cc2)c(CCC(=O)NN)s1	4679190	RLKNRPCRJAMUDU-UHFFFAOYSA-N	332.429	2.339	50	40	EEGB	
COc1ccc(O)c(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)c1	409363319	LEXWPBSRFWEBNX-ODLFYWEKSA-N	344.367	2.111	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC	5288780	KRQBGSZFDXQVOM-DAQNXSASSA-N	328.368	2.278	50	40	EEGB	
Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(F)cc2)c1Cl	2736168	ALFUNZZAEADPRX-UHFFFAOYSA-N	341.799	2.152	50	40	EEGB	
O=C(Cn1cnc2ccccc21)NNC(=O)Nc1ccc(F)cc1F	6550051	MTLLZXIZSFGMLX-UHFFFAOYSA-N	345.309	2.167	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1OC	59459679	XCPSIEPVZBRNPW-RQZCQDPDSA-N	344.396	2.485	50	40	EEGB	
CC1=NN(c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)CC1	48275116	DPXMQQAAYBNWLH-UHFFFAOYSA-N	340.358	2.487	50	40	EEGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1ccc(O)cc1	14010387	SMSHAGNWSUCZQY-ODLFYWEKSA-N	336.351	2.356	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	30802586	UAAGVIDZJPRVON-ZDLGFXPLSA-N	328.328	2.166	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1	5526713	HPGZTVYRVABYNF-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	408566475	GSULZVQEUUJOCQ-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)c2n[nH]c3c2CCCC3)ccc1O	35474420	MAYMNWVGCPSTBD-ZDLGFXPLSA-N	328.372	2.157	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1ccccc1Br	5679903	JJZKACFQDIARFJ-LLVKDONJSA-N	333.141	2.068	50	40	EEGB	
C/C(=N\NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	6212669	GBNGIWWFUSRKOE-XDHOZWIPSA-N	340.339	2.382	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CSc2ccccn2)c(OC)c1	195931	YLJCWKZHXGXPBA-VCHYOVAHSA-N	331.397	2.341	50	40	EEGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2cccc(OC)c2)cc1	3483479	XEHNEJPEDBAOMG-UHFFFAOYSA-N	342.395	2.027	50	40	EEGB	
C/C(=N\NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C(C)(C)C	409124809	KTDFHOQCVBULMN-LFIBNONCSA-N	325.434	2.234	50	40	EEGB	
COC(=O)c1sccc1NC(=O)/C(C#N)=C/c1cn(C)nc1C	61718674	YSXVLGNLOGOUDD-UXBLZVDNSA-N	330.369	2.122	50	40	EEGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1	4132201	HMTQWEGPJYVDEQ-DCSASFQGSA-N	327.409	2.036	50	40	EEGB	
Cc1noc(C(C)C)c1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	8029697	YERFPIDJUKQKHE-LLVKDONJSA-N	349.362	2.474	50	40	EEGB	
C[C@H](Sc1nnc(N)s1)C(=O)C(C#N)=C1Nc2ccccc2N1	9949524	FNGOBMJWOLWTCC-ZETCQYMHSA-N	344.425	2.443	50	40	EEGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36020386	CSQUMDFXICKIEH-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
COc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1	133155	YCFFECJWVKVNOZ-UHFFFAOYSA-N	340.335	2.281	50	40	EEGB	
C[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H](Br)C(=O)O	1715420	AXIKYQVDRNJVTG-KCJUWKMLSA-N	340.173	2.157	50	40	EEGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc[n+]([O-])c1	47650920	WYXHDQUVPSJGET-UHFFFAOYSA-N	345.424	2.115	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)O	59484968	VPVFQEKWWCGPJY-RQZCQDPDSA-N	343.295	2.066	50	40	EEGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	59515857	GDVYQOWCQNKMFW-NVNXTCNLSA-N	329.341	2.376	50	40	EEGB	
Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2	7000876	BDXWSRBYBVMTDU-MDWZMJQESA-N	338.367	2.354	50	40	EEGB	
O=C(NN=C1CCC(c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1	95376562	UIMYUTDKWJWLLD-WMCAAGNKSA-N	349.456	2.187	50	40	EEGB	
O=C(NCc1ccccc1)C1(C2(CBr)OCCO2)CC1	45329109	VNUMTPUZSNRYPS-UHFFFAOYSA-N	340.217	2.221	50	40	EEGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccco1	17169643	KKRVJCLYDBQEGL-UHFFFAOYSA-N	338.302	2.305	50	40	EEGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccn2)cc1)c1ccncc1	4194516	QIWBNBRBSKVAGL-LPYMAVHISA-N	346.346	2.460	50	40	EEGB	
NNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1F	509388	YTLJERLJGHBSAW-NTEUORMPSA-N	333.750	2.240	50	40	EEGB	
O=C(NNC(=O)c1ccccc1O)c1cccc(Br)c1	325616	ULHQLAPEEWNTKE-UHFFFAOYSA-N	335.157	2.230	50	40	EEGB	
Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	1633083	YNXDEKKYOCGUHL-CABCVRRESA-N	329.787	2.413	50	40	EEGB	
NC(=O)c1c(NC(=S)NC(=O)CCCCl)sc2c1CCC2	6261972	ROMMHHILJHNOJM-UHFFFAOYSA-N	345.877	2.168	50	40	EEGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)N1CCOCC1	59104690	WTLWNDAPKKQGLK-SAPNQHFASA-N	325.412	2.443	50	40	EEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1C	100927494	HOGIZQNRVKTSDJ-JYRVWZFOSA-N	326.312	2.038	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@@H]1COc2ccccc2O1	12941858	AKICUHYPQSDJDO-INIZCTEOSA-N	332.400	2.334	50	40	EEGB	
CC(C)[C@H]1CC[C@H](C)[C@@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	4816189	MGXQEUVYHVTMNX-DKEWWPDHSA-N	338.411	2.233	50	40	EEGB	
NC(=O)[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	26223246	WMSVAKPORPTCSJ-QAQURRIXSA-N	327.428	2.050	50	40	EEGB	
COc1ccccc1NCC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	4711902	VMDDECKDOOJUMU-ZDLGFXPLSA-N	328.328	2.166	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1O	16956687	KTWINMFBJHLZGO-RQZCQDPDSA-N	326.312	2.148	50	40	EEGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(N)=O	408795509	LJVUAKYYGRMBJB-UKTHLTGXSA-N	339.326	2.235	50	40	EEGB	
N#C/C(=C/Nc1ccc(I)cc1)C(N)=S	100715729	XNXKFDFMGLNVRX-SREVYHEPSA-N	329.166	2.397	50	40	EEGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1c[nH]c2ccccc12	3474247	OJEGHQJORSLWAC-AWQFTUOYSA-N	337.335	2.395	50	40	EEGB	
C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)C(=O)NC(C)C	4691407	KUQNTDIBGADLHG-FYJGNVAPSA-N	346.431	2.155	50	40	EEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1Cl	4677089	MPQHBBDOCQXWKW-VIZOYTHASA-N	342.760	2.252	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	581659	VQYDKVFHVKBXNM-GIJQJNRQSA-N	328.324	2.196	50	40	EEGB	
O=C(C[n+]1ccccc1)N/N=C/c1cc(Br)ccc1F	2705267	XFRFFLIPJIQWBD-RQZCQDPDSA-O	337.172	2.026	50	40	EEGB	
O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2C[C@H]1CS2(=O)=O	575615821	IKLCJEGZXZSVDI-QJPTWQEYSA-N	335.516	2.098	50	40	EEGB	
CCC(=O)NNC(=O)CSc1nc2cc(OC)ccc2cc1CC	4849404	DBQZFZNZYQATTD-UHFFFAOYSA-N	347.440	2.455	50	40	EEGB	
CCCNC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	6324069	AXQWJHZQOMXFEU-ZDUSSCGKSA-N	329.425	2.285	50	40	EEGB	
COCc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)no1	72302679	CEGLRJPIJJGHNZ-UHFFFAOYSA-N	347.415	2.189	50	40	EEGB	
COc1ccc(NC(=S)NNC(=O)c2cccc(OC)c2)cc1	59449433	LNZZGMPZNFPKSN-UHFFFAOYSA-N	331.397	2.335	50	40	EEGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccco1	28581850	GEZPHSYQXUSICF-UHFFFAOYSA-N	339.307	2.200	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OC)c(O)c1	409390508	DNFRVDUATUTARX-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
COc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1OC	32138870	KMNLWQPOKVQGHI-UHFFFAOYSA-N	332.400	2.140	50	40	EEGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	100230562	AZTKVTYXXONLGD-IXLFRQAMSA-N	330.384	2.426	50	40	EEGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)C1CCCCC1	6147557	FQOKFQMVVDEFIC-INIZCTEOSA-N	334.372	2.074	50	40	EEGB	
CCCCO[C@@H](C)C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C	57993900	JRGJVBRZUOKPSG-GJZGRUSLSA-N	336.432	2.423	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)cc1	409263021	JYEPHZRULNEELF-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)c1	409127444	CRUIZIFLGHFIKA-KRWDZBQOSA-N	339.395	2.434	50	40	EEGB	
C[C@@H](CI)CN1C(=O)c2ccccc2C1=O	39049071	ZCQLLDAEZGKLLX-QMMMGPOBSA-N	329.137	2.354	50	40	EEGB	
COc1ccc(C(N)=O)cc1NS(=O)(=O)[C@H]1CCCC[C@@H]1Cl	65566869	AQCFONSIDJCPJP-GWCFXTLKSA-N	346.836	2.086	50	40	EEGB	
O=S1(=O)C[C@@H](Cl)[C@H](/N=C(/Cl)C(Cl)(Cl)Cl)C1	97942992	PTZPPDSDYQMOKF-UGIZURGDSA-N	333.451	2.398	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2cccc3ncccc23)c(C)o1	58366086	DCXBZCUOPMXUKJ-UHFFFAOYSA-N	345.380	2.068	50	40	EEGB	
CCCCC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	9466798	IXHVLDAJNIDBBL-UHFFFAOYSA-N	342.321	2.393	50	40	EEGB	
CCn1c(NNC(=O)Cc2ccccc2F)nc2ccccc2c1=O	9857256	CNRCOPHIBJVNBB-UHFFFAOYSA-N	340.358	2.241	50	40	EEGB	
C[C@@H](O)c1ncc(/C=C(\C#N)C(=O)NCCc2ccccc2)s1	585079580	DXIWWSPQZGVFQI-ZMTLZGASSA-N	327.409	2.462	50	40	EEGB	
NC(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	254763790	GRGBLHJEWFQWIL-UHFFFAOYSA-N	345.271	2.298	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)Cc2cn3ccsc3n2)c(O)c1	5070591	SRLSURILVQRXBM-VCHYOVAHSA-N	344.396	2.193	50	40	EEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1	3306593	JIQKZVLAYTUERR-UHFFFAOYSA-N	336.395	2.479	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1	6127758	XDEXGQZUZDYGEE-UHFFFAOYSA-N	334.759	2.432	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)CC2(C(=O)O)CCCC2)cc1C	16482308	PYTYSGDUKKEKEB-UHFFFAOYSA-N	338.429	2.415	50	40	EEGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1	6049721	QQLXFSDNYWTMNC-KEBDBYFISA-N	341.367	2.176	50	40	EEGB	
O=C(NCc1ccccc1OC(F)F)NNC(=O)c1ccccc1	32795422	GWZOSAQRGGBJPC-UHFFFAOYSA-N	335.310	2.432	50	40	EEGB	
CC(=O)Nc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1	3226200	MGJLYQLAMSMYQY-KEBDBYFISA-N	328.347	2.346	50	40	EEGB	
Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1	3305090	AXWBJFHBSATINQ-JXMROGBWSA-N	334.372	2.157	50	40	EEGB	
COCCNC(=S)NNC(=O)c1sc2ccccc2c1Cl	6330201	HQSQGJIITGIRTM-UHFFFAOYSA-N	343.861	2.310	50	40	EEGB	
CC[C@@H](Br)C(=O)NNC(=O)CSCc1ccccc1	18192295	CPPXWVUBBLZMSL-LLVKDONJSA-N	345.262	2.241	50	40	EEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1	3096355	KOYVIVSXXZVRBK-XDHOZWIPSA-N	341.367	2.183	50	40	EEGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1O	101473996	NLWKVVHFOVESBN-LICLKQGHSA-N	329.312	2.089	50	40	EEGB	
COc1c(O)ccc(/C=N\NC(=O)Cc2cccs2)c1[N+](=O)[O-]	62772223	JCRGGWYQTFXWER-NVNXTCNLSA-N	335.341	2.063	50	40	EEGB	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nn(CCO)c(N)c1C#N	4713326	LHUMRPOXBRDYGH-XFFZJAGNSA-N	347.300	2.412	50	40	EEGB	
C=CSS/C(=C\N(C=O)Cc1cnc(C)nc1N)CCO	104237021	DXZBFWCUTNVBHB-WQLSENKSSA-N	326.447	2.074	50	40	EEGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C	59197372	JLTNQLBMXWSMKM-KEBDBYFISA-N	338.367	2.465	50	40	EEGB	
CS(=O)(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	3316086	KUXZZEINVJWUSY-UHFFFAOYSA-N	341.392	2.096	50	40	EEGB	
NC(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21	5506118	BSKKQLFXNQNQPF-XMHGGMMESA-N	328.759	2.259	50	40	EEGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1	408904558	LKAWYGDVRGUKSX-GRSHGNNSSA-N	326.356	2.015	50	40	EEGB	
COc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409143279	LMCGKYFQCIVWSA-KRWDZBQOSA-N	339.395	2.434	50	40	EEGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccccc1O	5171997	QRUMFBCKOGQBDR-UHFFFAOYSA-N	349.184	2.158	50	40	EEGB	
C#CCOc1ccccc1/C=N/NC(=O)c1cccc(NC(C)=O)c1	6761462	CGBJUFIGDSDOQZ-DEDYPNTBSA-N	335.363	2.421	50	40	EEGB	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2)CC1	8350213	WNIALHNDSXPSSG-UHFFFAOYSA-N	347.415	2.095	50	40	EEGB	
CC(=O)Oc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1	408766179	SGYSMOAXAWEYMG-LICLKQGHSA-N	327.296	2.284	50	40	EEGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(-n2cnnn2)cc1	5494680	VBGVHCNRDWBYRZ-YBFXNURJSA-N	340.774	2.470	50	40	EEGB	
COc1cccc(/C=N\NC(=O)CCc2c(C)n[nH]c2C)c1OC	31841383	YEWRCEXXLVCCHD-ZDLGFXPLSA-N	330.388	2.127	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1OC	840331	XQOFZBBZZDXXOD-UHFFFAOYSA-N	328.368	2.098	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccccc2F)c1	6333671	FCRCIPHILDQUFR-UHFFFAOYSA-N	346.358	2.048	50	40	EEGB	
CCOc1ccc(/C=N/NC(=O)COc2cccc(F)c2)c(O)c1	6557891	RNVKEPREFPVKIJ-VXLYETTFSA-N	332.331	2.459	50	40	EEGB	
O=C(N/N=C/c1cccnc1)C1CCN(C(=O)c2ccccc2)CC1	409007487	WTOXHRFDBYCHOU-KGENOOAVSA-N	336.395	2.084	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2cccc3c2OCCO3)cccc1[N+](=O)[O-]	408864371	ZFIBSJGYOIMRPC-VCHYOVAHSA-N	341.323	2.438	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	37670	XVVVFLSOQJBZOD-KEBDBYFISA-N	325.299	2.248	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	582920	NTOYVWHETSWCHA-LICLKQGHSA-N	326.312	2.317	50	40	EEGB	
CCO/C(O)=C(/C#N)c1nc2ccccc2nc1N1CCOCC1	100713125	VVBLPNSHZBSIEF-ATVHPVEESA-N	326.356	2.253	50	40	EEGB	
NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2	2731974	VGLSVDVJADCJAJ-MUWHJKNJSA-N	331.323	2.208	50	40	EEGB	
C#CCn1c(C)c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21	583079	QYOJPOXNEQJXQP-DEDYPNTBSA-N	339.395	2.186	50	40	EEGB	
COc1ccc(/C=N\NC(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2)cc1	33899718	QPDUKYZTRRPUKI-DSDJNCIMSA-N	348.406	2.341	50	40	EEGB	
Cc1csc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1	2621137	HFRRMDUAQRQWFV-UHFFFAOYSA-N	325.390	2.144	50	40	EEGB	
O=C(NNC(=O)c1cccc(Br)c1)c1cccc(O)c1	9366409	HUINMVCZTDLZDU-UHFFFAOYSA-N	335.157	2.230	50	40	EEGB	
COc1cccc(CC(=O)N/N=C/c2cc3c(cc2OC)OCO3)c1	409099406	SBVADYFWMWOGDS-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
COc1ccc([C@@H]2Nc3nc(C(F)(F)F)nn3C(N)=C2C#N)cc1	4292526	HVVMXLFBRUJTQZ-JTQLQIEISA-N	336.277	2.123	50	40	EEGB	biogenic
Cc1cccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	36231001	JSBDZKKZWVBKTQ-GIJQJNRQSA-N	328.328	2.171	50	40	EEGB	
O=C1OC(c2cccs2)=N/C1=C/NNC(=O)c1ccc(Cl)cc1	105930507	ZKJMNOOWUBIAAA-DHZHZOJOSA-N	347.783	2.481	50	40	EEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(Cl)cc1Cl	1923380	PMHJXKBBPUTCDS-CNHKJKLMSA-N	340.166	2.467	50	40	EEGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccc(O)c1	5730117	FFIQSHXYXYSOQB-YBFXNURJSA-N	336.351	2.356	50	40	EEGB	
O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1c[nH]c2ccccc12	103247788	XQZIIDCJJFHJOL-ZIBATOQPSA-N	328.441	2.465	50	40	EEGB	
O=C(NNC(=O)c1cc(Br)ccc1O)c1cccs1	14233437	WJSXZGCKBZJBQZ-UHFFFAOYSA-N	341.186	2.291	50	40	EEGB	
Cc1cc(CNC(=O)NNC(=O)COc2ccccc2F)ccc1F	9533222	RYDSIFMORQNTND-UHFFFAOYSA-N	349.337	2.183	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCC(=O)O	408802819	HUPVCRLTGFTSFZ-ZBQKXELDSA-N	346.383	2.370	50	40	EEGB	
CC1(C)N=C(N)N=C(N)N1c1cccc(CCCCC(=O)CCl)c1	17040133	LYGXBYXKVYONLJ-UHFFFAOYSA-N	349.866	2.393	50	40	EEGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N/NC(=O)C[n+]1ccccc1	5503133	AZRZZQZSPFEZEX-MOSHPQCFSA-O	345.810	2.148	50	40	EEGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	3469054	RQPMOLZHGPXCFE-REZTVBANSA-N	331.259	2.227	50	40	EEGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(Cl)c1Cl	3085335	SURVBCPEYWKBDL-CNHKJKLMSA-N	340.166	2.353	50	40	EEGB	
CC/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1	14921591	NNNMMWRCMUCQKY-LTGZKZEYSA-N	327.359	2.486	50	40	EEGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NC[C@@H]1CCCO1	1456725	NBKHKDIWXZZKMN-QNCMIEPLSA-N	334.759	2.271	50	40	EEGB	
CC(C)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	13011522	NRTMBDGQBGLOSF-UHFFFAOYSA-N	349.394	2.351	50	40	EEGB	
NC(=O)c1cc2cc(Cl)ccc2o/c1=N\NC(=O)c1cccs1	13133200	VZBYVZRDNOORTM-CYVLTUHYSA-N	347.783	2.492	50	40	EEGB	
Cc1noc(C)c1CC(=O)NNC(=O)Cc1cccc2ccccc12	14082977	DRHIZWOPETVKJM-UHFFFAOYSA-N	337.379	2.377	50	40	EEGB	
O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1F	6998445	KYOUKAXAKGSJRJ-UHFFFAOYSA-N	326.283	2.007	50	40	EEGB	
Cc1c(C(=O)NN=Cc2ccc(N(C)C)cc2)sc(N)c1C#N	408730890	VJYSQDAVZFVCJT-UHFFFAOYSA-N	327.413	2.340	50	40	EEGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccco2)c(OC)c1	101403564	ONZGUQCAPSZHHW-YBFXNURJSA-N	345.355	2.431	50	40	EEGB	
O=C(NNC(=O)c1cccc2c1OCCO2)c1ccc(Cl)cc1	54800	VTABXJCSMLSYGM-UHFFFAOYSA-N	332.743	2.186	50	40	EEGB	
COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccccc2O)cc1	1633501	FGVCQTXATMPVLT-GJZGRUSLSA-N	346.770	2.237	50	40	EEGB	
O=C(OCCCl)C(=Cc1ccc(O)cc1)C(=O)OCCCl	59664126	ACPVMJYUBNEAGP-UHFFFAOYSA-N	333.167	2.340	50	40	EEGB	
C/C(=N/NC(=O)CCc1ccc2c(c1)OCO2)c1cc(O)ccc1O	408563936	SHYPVALLMUCUQV-ODLFYWEKSA-N	342.351	2.300	50	40	EEGB	
C[C@@H]1C[C@H](NC(=O)/C(C#N)=C\c2ccco2)C(=O)N1c1ccccc1	98052792	RDSCIAYTGWBRRV-KAOCYUFCSA-N	335.363	2.497	50	40	EEGB	
CCOC(=O)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1	5461819	RHWMMRUZDOSYFI-CXUHLZMHSA-N	331.284	2.128	50	40	EEGB	
C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccc(O)cc1	101158554	MTVCUDNGJDUCFA-CIAFOILYSA-N	343.358	2.344	50	40	EEGB	
N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@@H]1c1ccccc1Cl	532757	FXFMCJVUGANXGK-CYBMUJFWSA-N	328.784	2.442	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	7869678	AFKQKLZYHXSGRW-UDWIEESQSA-N	341.342	2.479	50	40	EEGB	
N#C/C(=C/c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1)C(N)=O	64389902	QMRAOMKGOCQULK-CHHVJCJISA-N	333.347	2.361	50	40	EEGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	5513719	UDVSPNPBSISVHN-RGVLZGJSSA-N	345.786	2.115	50	40	EEGB	
Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2nc[nH]n2)C2=C1C(=O)CCC2	4503792	IIGQMLXRZBXFHZ-INIZCTEOSA-N	346.394	2.418	50	40	EEGB	
NNC(=O)COc1ccc(-c2nccc(-c3cccs3)n2)cc1	2576519	OBTDFJYJHUZPMZ-UHFFFAOYSA-N	326.381	2.241	50	40	EEGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)C1(OCCO1)C21OCCO1	101041827	AOSQNKXTFPVICJ-GRYCIOLGSA-N	333.222	2.304	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Br)o2)c(C)o1	5823383	GHOOCYRAAJSINN-UHFFFAOYSA-N	327.134	2.327	50	40	EEGB	
O=C(N/N=C/c1ccc(Sc2ncccn2)o1)c1ccncc1	409105397	NCXNBCYFVMSYRE-VXLYETTFSA-N	325.353	2.380	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(C)=O	33304765	JMVHYNHXONPRMN-YVLHZVERSA-N	332.381	2.375	50	40	EEGB	
O=C(CNC(=O)c1ccco1)NNc1ccccc1C(F)(F)F	24839032	CICOPIVAKNLUNA-UHFFFAOYSA-N	327.262	2.172	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)O	59484957	PUTXTMVIYGKCDI-RQZCQDPDSA-N	343.295	2.066	50	40	EEGB	
COc1cc(Br)c(/C=C(/C#N)S(C)(=O)=O)cc1OC	96021529	IBFSWQXZMWMBLH-WTKPLQERSA-N	346.202	2.375	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(C)s2)s1	13968416	MFNVWTMISCKNCN-BGPOSVGRSA-N	334.426	2.027	50	40	EEGB	
CCS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(Br)cc1	96518914	VAKPXHPWPBFMHK-UWVGGRQHSA-N	327.627	2.482	50	40	EEGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	5380965	ZQMCUSBPQZAXAJ-UDWIEESQSA-N	339.395	2.240	50	40	EEGB	
O=C(OOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	1726961	DSQKWQUVCPSWBA-UHFFFAOYSA-N	332.224	2.432	50	40	EEGB	
CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)N=C1O	16996414	VPZKPCHXNOYNIB-JLHYYAGUSA-N	344.371	2.113	50	40	EEGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1C	408788724	GFNBLWHRHQZHGB-MFOYZWKCSA-N	330.344	2.079	50	40	EEGB	
COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1OC	73089	PLLHVEWOWLULKZ-KEBDBYFISA-N	338.367	2.204	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3	104833118	YLCDEVNYSHQGFP-WJDWOHSUSA-N	338.363	2.333	50	40	EEGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccs1	160397	CGMWTZPIZKCKCS-LLVKDONJSA-N	332.410	2.306	50	40	EEGB	
CC(C)Nc1nc(NC(C)C)nc(N(C#N)COCCCl)n1	3152905	DJYUXGMDWUGYSV-UHFFFAOYSA-N	327.820	2.013	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2OC#N)n1	6922225	QNFZXMISENUWPO-LSCVHKIXSA-N	341.396	2.196	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1	59514905	XOIXIEGXZOXANN-YBFXNURJSA-N	339.351	2.334	50	40	EEGB	
CCN(CC)C(=O)[C@H]1C=C2[C@H](C[C@@H]3C[C@@H]2C3(C)C)[C@H]2C(=O)OC(=O)[C@H]12	103370012	LWJRFRGYHFWQLY-MDRZNBNDSA-N	345.439	2.409	50	40	EEGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)Cc1ccccc1	1883373	PBJICDHTPKMZNO-WSDLNYQXSA-N	348.406	2.285	50	40	EEGB	
C[C@@H](CN1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	4576247	NPWDQTZKIPSCQE-KMYSJOAASA-N	347.503	2.472	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)COc1c(Cl)cccc1Cl	96506768	IVMHGRKTEIAIQY-HJWRWDBZSA-N	343.166	2.241	50	40	EEGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)cc1	223152333	WMLLIAAGXOLXKN-ODLFYWEKSA-N	329.331	2.313	50	40	EEGB	
CC/C(Cc1ccccc1)=N/NC(=O)c1nc2nc(C)cc(C)n2n1	195828	LAFNZAAOEQVZLY-QNGOZBTKSA-N	336.399	2.480	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C	3072737	ZDJSSQVGFYNGBA-VCHYOVAHSA-N	340.339	2.300	50	40	EEGB	
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(F)cc1	12362308	MFSYKOBPXLHLNG-SRZZPIQSSA-N	331.322	2.235	50	40	EEGB	
O=C(CCCO)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	4182002	AKEIJDWXKCIWKO-QGOAFFKASA-N	348.403	2.198	50	40	EEGB	
C/C(CC(=O)N1CCCC1)=N\NC(=O)COc1ccc(Cl)cc1	4568512	MXVRGBMOTAZBCT-LDADJPATSA-N	337.807	2.223	50	40	EEGB	
CCOC(=O)NNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1	69813726	WZHBMELFNGKBFT-UHFFFAOYSA-N	327.189	2.074	50	40	EEGB	
O=C(COC(=O)c1cccs1)NNC(=O)c1ccccc1Cl	408648425	YAJVVEATFWOYFL-UHFFFAOYSA-N	338.772	2.020	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1	239562982	NWTOYPBJWGMJPX-ZDYUHPSFSA-N	348.034	2.010	50	40	EEGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1)C(=O)O	59302892	AKTSDEITTKURLL-VSMYLPJWSA-N	330.315	2.442	50	40	EEGB	
O=C(COC(=O)c1cc2ccccc2s1)NNC(=O)c1ccco1	7412763	FVJGNAGHGUHOAZ-UHFFFAOYSA-N	344.348	2.112	50	40	EEGB	
NNC(=O)c1ccc(-c2ccc(I)cc2)o1	226301990	HXEBLENIRICIGQ-UHFFFAOYSA-N	328.109	2.155	50	40	EEGB	
CN(C)c1ccc(NC(=O)NNc2nc[nH]n2)c(C(F)(F)F)c1	583651843	UJQKZJGYXGKBSC-UHFFFAOYSA-N	329.286	2.038	50	40	EEGB	
C[C@@H](Sc1nncn1C)C(=O)C(C#N)=C1Nc2ccccc2N1	7857739	HWKVQNJJEYMYAA-SECBINFHSA-N	326.385	2.138	50	40	EEGB	
CN1C(=O)/C(=N/NC(=O)COc2ccccc2Cl)c2ccccc21	100436173	IIUZRTHUDITSHV-CAPFRKAQSA-N	343.770	2.216	50	40	EEGB	
COc1ccccc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1	12914332	HYWGQECSTBGCNP-UHFFFAOYSA-N	337.335	2.425	50	40	EEGB	
COC(=O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	16189819	HNVLBEPSWCQWDF-DEDYPNTBSA-N	340.379	2.321	50	40	EEGB	
CCN(CC)C(=O)[C@@H]1C=C2[C@H]3C[C@H](C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12)C3(C)C	254759174	LWJRFRGYHFWQLY-NEMKTIRNSA-N	345.439	2.409	50	40	EEGB	
NNC(=O)c1cnc(-c2cccc(Cl)c2)nc1N1CCCCC1	223461256	SIIRXBVVNCTDHV-UHFFFAOYSA-N	331.807	2.391	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1nc(C(F)F)cc1C	252506964	WDUMUGPPASOAME-GIGVHJDUSA-N	342.325	2.021	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)CSCc2ccccc2)cc1	15893357	BFXKUSQUADUKEZ-UHFFFAOYSA-N	330.409	2.390	50	40	EEGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1	5543178	QBFGMWMCOCVJGX-MQMKENTISA-N	339.395	2.331	50	40	EEGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1	100586912	PRXZTBZJQQUJDP-ZHACJKMWSA-N	325.290	2.384	50	40	EEGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	408905184	UVIDZYROSANIFC-SXGWCWSVSA-N	330.300	2.465	50	40	EEGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(N)=O)c2C)cc1	409244515	DWEKZJZUMFVLHY-ZROIWOOFSA-N	338.367	2.205	50	40	EEGB	
CCc1c(C)nc(SC/C(=N/NC(C)=O)c2ccccc2)[nH]c1=O	16161157	IEXYCEUIBHRPID-QNGOZBTKSA-N	344.440	2.273	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)n1	22234118	NIHGHYGZWILUGR-LLVKDONJSA-N	347.806	2.008	50	40	EEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(F)c(F)c1	57509007	MMAQUKZDPZVKMI-GFCCVEGCSA-N	330.718	2.375	50	40	EEGB	
COc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1	12292666	WUPNHWXLRUXSAT-CQSZACIVSA-N	342.395	2.161	50	40	EEGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccccc1Cl	4578027	GZINHKYBFUOPJP-NLNSYVINSA-N	341.798	2.320	50	40	EEGB	
CCCC(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	21899611	VXFZBBKYRDGSJQ-UHFFFAOYSA-N	349.394	2.495	50	40	EEGB	
NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	26223346	WRTVDAPEHFTMEA-MRXNPFEDSA-N	343.452	2.478	50	40	EEGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	59483800	PHSHJWUMGIKZQW-FYJGNVAPSA-N	347.459	2.366	50	40	EEGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1cccc(O)c1	5818952	OSGFSKURQVVUQW-CQSZACIVSA-N	331.335	2.395	50	40	EEGB	
Cc1c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)sc(N)c1C#N	254737301	NFNSICBIKJYZEJ-UHFFFAOYSA-N	329.341	2.183	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OC)c2O)c1	581739	LVKGRUXLGMDRLW-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H](O)c1ccccc1	3031355	NIHLMNIRVPYOKF-VEJKBTLKSA-N	349.184	2.338	50	40	EEGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(OC)c1OC	58687	YGQBDAMWZQTERV-RGVLZGJSSA-N	343.383	2.275	50	40	EEGB	
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1OC	6223951	AOWDLXWBCJURNX-HNNXBMFYSA-N	328.368	2.314	50	40	EEGB	
Cc1cc(C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)c(C)o1	15472881	ILGXUHGVFOWAPW-INIZCTEOSA-N	327.384	2.151	50	40	EEGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(N)=O	408756960	YNAVUFGJYXBOSA-MDWZMJQESA-N	337.291	2.206	50	40	EEGB	
NNC(=O)CN1C(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1	256027901	IZIAAPOLVPDOBJ-HNNXBMFYSA-N	330.775	2.267	50	40	EEGB	
CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)ccc21	103381199	QIKAQHAIJWXIDB-UHFFFAOYSA-N	347.378	2.451	50	40	EEGB	
CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C(=O)O)[C@H]2Br	675030126	LCCMBQFZQLNVJO-ZVCUKBJDSA-N	340.011	2.357	50	40	EEGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)C1(C)C	57614918	QCVJKNHNIHPWPX-IUODEOHRSA-N	330.384	2.415	50	40	EEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1	573529	REFXWLBACUYMAX-VCHYOVAHSA-N	330.340	2.294	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cncc(Br)c1	257461	DCHBLMNDVMBVJY-MKMNVTDBSA-N	339.105	2.109	50	40	EEGB	
N#CC(C(=O)Cn1cnc2sccc2c1=O)=C1Nc2ccccc2N1	31640969	QDPFJNLNGBOQQH-UHFFFAOYSA-N	349.375	2.300	50	40	EEGB	
COc1ccccc1NC(=O)NNC(=O)CNc1ccc(F)cc1	3342883	BTYAAFYQIBILLL-UHFFFAOYSA-N	332.335	2.099	50	40	EEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl	16693926	JZRNXJVEUNPLDF-XFFZJAGNSA-N	346.730	2.383	50	40	EEGB	
COc1ccc(/C=N\NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1	32119751	UZJAAKOLYLYBKM-QXGSTRBFSA-N	325.368	2.023	50	40	EEGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	20086728	UCDGSARGMCVTNB-QGZVFWFLSA-N	344.374	2.460	50	40	EEGB	
NC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	32869061	YSZVOHIOIYPGTI-UHFFFAOYSA-N	334.445	2.277	50	40	EEGB	
COc1ccc(OC)c(NC(=S)NNC(=O)c2cccs2)c1	1413019	QOOXAPGYZMIKRC-UHFFFAOYSA-N	337.426	2.397	50	40	EEGB	
BrC[C@@]12[C@@H]3[C@H]4[C@@H]5[C@@H]1[C@H]2[C@@](Br)([C@H]43)C51OCCO1	100717026	NWTOYPBJWGMJPX-LKBMUVTJSA-N	348.034	2.010	50	40	EEGB	
CN1C(=O)[C@@]2(C[C@H](I)CO2)c2ccccc21	26897528	CWBDOKADQITBKQ-QPUJVOFHSA-N	329.137	2.082	50	40	EEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C/c1ccccc1)CCO	2365020	KDXWMGZVPYYPRY-DFCRHHBYSA-N	338.363	2.331	50	40	EEGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)NC1CCCCC1	59435613	AKNWOMGGHLPWIR-UDWIEESQSA-N	339.395	2.444	50	40	EEGB	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)c1cccs1	9316004	QDZORLUITDYWPF-UHFFFAOYSA-N	342.380	2.192	50	40	EEGB	
O=C(CN1CCc2ccccc21)NNC(=O)c1ccc(Cl)cc1	6831966	ULVAGEUUGFLBMC-UHFFFAOYSA-N	329.787	2.164	50	40	EEGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1OCC	3083929	BNLKHARCTSESBS-XDHOZWIPSA-N	347.415	2.015	50	40	EEGB	
Cn1c(C(=O)NNC(=O)C2CC2)c(Br)c2ccccc21	44872446	MMRRBWSBDKKXBN-UHFFFAOYSA-N	336.189	2.112	50	40	EEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(Cl)cc1	7429087	VKEVKCVFIVUQNR-VCHYOVAHSA-N	340.774	2.144	50	40	EEGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(C#N)cc1F)OCO2	408963765	ARXTYNCZQOTLSI-DNTJNYDQSA-N	325.299	2.498	50	40	EEGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1	585128144	TWLJKAXEQSTEJR-STQMWFEESA-N	347.553	2.044	50	40	EEGB	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccccc1	5680506	QJRNOENYCAVTRH-VAWYXSNFSA-N	325.393	2.036	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1	60007	QOPUOCMPDCYPEA-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
Cc1nnc(NNC(=O)C(c2ccccc2)c2ccccc2)nc1O	28561484	AOAFQTFDSRNLNX-UHFFFAOYSA-N	335.367	2.161	50	40	EEGB	
COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1	59472665	ZFGFCOZDVYSPKR-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1	4694206	MDJMFVMLARMXGM-ASTMVQESSA-N	342.351	2.005	50	40	EEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1	6653516	SAJDMKIOCQQKMU-UHFFFAOYSA-N	338.367	2.425	50	40	EEGB	
C/C(=N\NC(=O)CC#N)c1ccc(I)cc1	6645960	WSGGPGAXPRQVBJ-RIYZIHGNSA-N	327.125	2.045	50	40	EEGB	
CCOCN1CCC(=NNC(=O)/C(=C/c2ccccc2)CCO)CC1	72334046	ZANKBHFSNXULPO-SAPNQHFASA-N	345.443	2.014	50	40	EEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc2c(c1)CCO2	40068856	WKNUVJCZCYIABR-UHFFFAOYSA-N	346.770	2.358	50	40	EEGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(SC#N)o1	5457836	LOZNKSLFTABYMK-ZDUSSCGKSA-N	331.353	2.498	50	40	EEGB	
C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1cccnc1	100614069	CXNTUOSJICUOGS-CIAFOILYSA-N	328.347	2.033	50	40	EEGB	
COC(=O)[C@H](N)Cc1ccc(OC)c(N(CCCl)CCCl)c1	1707260	QSGQNCHXSFTATQ-GFCCVEGCSA-N	349.258	2.022	50	40	EEGB	
CCCC/C(C)=N\NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1	59515697	DDGOCYNRNOLNAH-MOSHPQCFSA-N	349.431	2.045	50	40	EEGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2	6947469	PISBXVIFNBTBPU-UHFFFAOYSA-N	332.743	2.186	50	40	EEGB	
CC1=C/C(=N\NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1	8344419	PBBQHANNLMTOEL-SDXDJHTJSA-N	347.440	2.297	50	40	EEGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)NC[C@@H]1CCCO1	408735312	QIWFESPTZSGRQA-LAHYYIKRSA-N	325.162	2.244	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	581721	PCCUDLCJHOUAPY-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
CC(=O)c1c(NNC(=O)CNc2c(C)cccc2C)oc(C)cc1=O	4619445	PDYIKZNEGXHTHA-UHFFFAOYSA-N	343.383	2.323	50	40	EEGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2	6647244	JAAIFZFEUABPFS-UHFFFAOYSA-N	329.743	2.435	50	40	EEGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	409370393	QDEMBQWWCPDXHD-DHDCSXOGSA-N	339.351	2.246	50	40	EEGB	
C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)C3CC3)cc2[N+](=O)[O-])C1	15794500	CPYGUVGFLPQZLF-NSHDSACASA-N	346.387	2.002	50	40	EEGB	
CC/C(C)=N\NC(=O)CNC(=O)c1ccccc1Br	5523049	XBBUWQUIQLQPCW-SXGWCWSVSA-N	326.194	2.081	50	40	EEGB	
CC(C)(C)C(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O	101412260	MBNMYPMGBUSYQD-OAHLLOKOSA-N	342.226	2.225	50	40	EEGB	
C[C@H](OCC(F)(F)F)C(=O)N/N=c1/sc2ccccc2n1C	104386032	OQFFUZPJAKOUMW-UOGYTRGLSA-N	333.335	2.139	50	40	EEGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O	4517030	VWDBDLWWFBDFDO-HXUWFJFHSA-N	347.374	2.046	50	40	EEGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1O	111669266	MWIUOFKRIMRUGK-GRSHGNNSSA-N	332.331	2.241	50	40	EEGB	
Cc1nnc(Sc2ccc(/C=C(\C#N)C(N)=O)cc2[N+](=O)[O-])s1	408991742	PDHXFGQHEIRAHT-RUDMXATFSA-N	347.381	2.298	50	40	EEGB	
CCc1sc(C(=O)NNS(=O)(=O)c2cccc(F)c2)cc1C	7387142	XSZOXHXVJDDRBJ-UHFFFAOYSA-N	342.417	2.381	50	40	EEGB	
C[C@@H](C(=O)NNC(=O)c1ccccc1F)N1CCc2ccccc2C1	69588724	GYGNFUCGUGXAGX-ZDUSSCGKSA-N	341.386	2.034	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCC(=O)O	408802818	HUPVCRLTGFTSFZ-ACLQVGRQSA-N	346.383	2.370	50	40	EEGB	
C[C@@]1(CBr)[C@H]2CC[C@@]1(C)C1(OCCO1)C21OCCO1	100175365	AOSQNKXTFPVICJ-IJLUTSLNSA-N	333.222	2.304	50	40	EEGB	
CN1CC=C2[C@H](C1)[C@@H](c1ccccc1F)C(C#N)=C(N)C2(C#N)C#N	1073566	PPTIVJCILWISKA-YOEHRIQHSA-N	333.370	2.181	50	40	EEGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(O)cc(C)oc1=O	102354756	QRVYZNKFAABILM-LICLKQGHSA-N	345.311	2.024	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C(\C)c1ccc(O)cc1	409266919	SEEURYATCQSGRW-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1	408999271	ULIPQTAJTOGCLG-UDWIEESQSA-N	341.342	2.479	50	40	EEGB	
Cc1nn([C@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252479620	BITFHMKNKDSQMP-VJYAUKRXSA-N	325.325	2.012	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc1	3131929	PPNCVTGNJVUZCC-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1	1633081	ZUEVSQKEARMLSV-CABCVRRESA-N	345.786	2.113	50	40	EEGB	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCN(c2ncccn2)C1	69384453	MNBROGSRORTRLU-NSHDSACASA-N	333.342	2.115	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(C)c1	3072741	UCGIBDWTDRJKFI-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	3099062	DBIREUHGUJQXHO-CAOOACKPSA-N	343.295	2.096	50	40	EEGB	
COc1cccc(/C=N/NC(=O)CN2Cc3ccccc3C2)c1OC	8168752	OLVPZWRRPVUJNE-KEBDBYFISA-N	339.395	2.170	50	40	EEGB	
C/C(=N/OCC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccs1	5479929	QAHYESLSASSNKT-QKJQKQTLSA-N	345.380	2.368	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(O)c1	5514094	FAOLXGLESSOPSQ-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
CCc1sc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C	8294149	KOGXRGNUUOTMOE-UHFFFAOYSA-N	332.381	2.422	50	40	EEGB	
Cn1nccc1CNC(=O)NNc1ccc(F)cc1Br	46941480	XLDXCPVZGIDCSX-UHFFFAOYSA-N	342.172	2.148	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1	581122	XLDJVAAOWIPCDU-YBFXNURJSA-N	339.351	2.196	50	40	EEGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1	5065884	DPLNELLHAUZIAH-UHFFFAOYSA-N	332.331	2.064	50	40	EEGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC	3570171	RSCDDIGAVFFXQW-RUDMXATFSA-N	325.162	2.249	50	40	EEGB	
Cc1cc(C)c2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	421472	GLMVYZHEAURZOU-OAHLLOKOSA-N	347.378	2.395	50	40	EEGB	
COc1ccc(OC)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1	108136868	NUAPWOGNWCPCFC-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2	2731975	VGLSVDVJADCJAJ-RCOVLWMOSA-N	331.323	2.208	50	40	EEGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1	58884636	RXGKSSFCGCZMOT-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C(\C#N)c1ccccn1	16695169	HPAHYEAGDXSHNR-AAWPKVBNSA-N	342.424	2.319	50	40	EEGB	
Cc1cc(COc2ccc(/C=C(/C#N)C(N)=O)cc2)oc1C(=O)O	75133413	VPGBQGUCOKQNKX-GHXNOFRVSA-N	326.308	2.258	50	40	EEGB	
NNC(=O)Cc1csc(Nc2cccc(Br)c2)n1	223450356	JJFUCWUUHAYECE-UHFFFAOYSA-N	327.207	2.182	50	40	EEGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC)cc2OC)cc1	5513671	NPHCEKOIOLTPPI-XDHOZWIPSA-N	328.368	2.405	50	40	EEGB	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	7000272	JBSQNORQBNEPEW-STCRIKGOSA-N	338.791	2.415	50	40	EEGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cccnc1	108904757	LPVNMIFLDAQDCR-SRZZPIQSSA-N	330.347	2.345	50	40	EEGB	
CC[C@@H](NNC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C)on1	9049768	HOPPMDFXOUXKRO-GFCCVEGCSA-N	336.779	2.288	50	40	EEGB	
C=CCOc1c(Br)cc(/C=N/NC(C)=O)cc1OC	408866401	HEYSCAKFHGSALQ-OVCLIPMQSA-N	327.178	2.493	50	40	EEGB	
Cc1c(C(=O)N/N=C/c2ccc(O)cc2)sc2ncnc(N)c12	408972547	DPELNIZOTRAZMJ-KPSZGOFPSA-N	327.369	2.051	50	40	EEGB	
CCCC(O)(CCC)C(=O)N/N=C1/C(=O)N(CC)c2ccccc21	103609319	IYDZTUVODBZXNV-XDJHFCHBSA-N	331.416	2.205	50	40	EEGB	
CC(C)[C@@H]1CC[C@@H](C)[C@@H]([C@]2(C#N)C(N)=C(C=O)CC2(C#N)C#N)C1=O	4816191	MGXQEUVYHVTMNX-NMLBAAHISA-N	338.411	2.233	50	40	EEGB	
C#CCCOC(=O)C[C@H](NC(=O)CCl)c1ccc(F)cc1F	1615055968	VDVMOOSUDUSGCO-ZDUSSCGKSA-N	329.730	2.318	50	40	EEGB	
N#Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(F)c1	408966769	NJHOIIRLIJDCMZ-QGMBQPNBSA-N	328.259	2.075	50	40	EEGB	
CC12CN3CN(C1)CC(C)(C3)C2=NNC(=O)Nc1ccc(Cl)cc1	19331126	NDSDZZDVKLUSPR-UHFFFAOYSA-N	347.850	2.432	50	40	EEGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1OC(C)C	408604261	UPAMOJRRYLFFQT-QGMBQPNBSA-N	345.359	2.037	50	40	EEGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c1C	408968987	FHFFUYBKPWKVII-RGVLZGJSSA-N	340.427	2.377	50	40	EEGB	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1F)c1ccc2c(c1)OCO2	73261551	MQAUZRDAEOUBNR-QWHCGFSZSA-N	342.326	2.119	50	40	EEGB	
Nc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3Br)cc1	1615055656	PBINEIVOICNDAU-LBPRGKRZSA-N	345.262	2.207	50	40	EEGB	
NNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	14186253	JZEMQAOAJGODNH-SFHVURJKSA-N	341.436	2.107	50	40	EEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])ccc1O	16385698	CNEFELJPGIEJQA-MLPAPPSSSA-N	336.285	2.034	50	40	EEGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	5387354	IDMBETLTCQSJCV-VCHYOVAHSA-N	337.339	2.403	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1	59516278	MXLNNBKVQZAXBS-VCHYOVAHSA-N	331.759	2.437	50	40	EEGB	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cl)nc2)c(C)c1	8309001	UKCPCRARYITPGL-UHFFFAOYSA-N	332.791	2.225	50	40	EEGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3F)n[nH]2)cc1	252479415	BEPNLSYLJPCHJM-DJKKODMXSA-N	340.362	2.330	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	294533	JWQDSMLYOVWWCV-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
O=C(NNC(=O)c1ccccc1Br)c1cccc(O)c1	6970223	SKZXBNHXPXFDHM-UHFFFAOYSA-N	335.157	2.230	50	40	EEGB	
C/C(=N\NC(=O)C(=O)NC1CC1)c1ccc(N2CCCCCC2)cc1	7918550	GFANVGHZTNNLHB-KGENOOAVSA-N	342.443	2.186	50	40	EEGB	
Cc1cc(N2CCC[C@H](C(=O)NN)C2)nc(-c2ccc(Cl)cc2)n1	260572480	VYJOMVXTKRIHPR-ZDUSSCGKSA-N	345.834	2.312	50	40	EEGB	
O=C(N/N=C\c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1	5664977	KNINYAQCRVFTGY-LSCVHKIXSA-N	325.246	2.387	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)Nc1cccc2nsnc12	16430884	MADPIAOJIBFRLZ-AWNIVKPZSA-N	332.301	2.348	50	40	EEGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1O	7343686	MQHJUNGXLNLXII-OAHLLOKOSA-N	331.331	2.452	50	40	EEGB	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cc(-c2ccccc2)on1	27263099	LUYFFOQIPGMWBS-QGZVFWFLSA-N	349.346	2.106	50	40	EEGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	409191557	ZAXKGEOGCLWBOE-UVTDQMKNSA-N	328.368	2.204	50	40	EEGB	
O=C(CCl)N(c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	217383056	WTBJPFPCFJAFKI-VIFPVBQESA-N	340.203	2.238	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1O	32138777	CBSISYIINCIONR-NVMNQCDNSA-N	328.324	2.284	50	40	EEGB	
O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C1CC1	33415339	IEAXCRBDCKPOLC-NVMNQCDNSA-N	343.368	2.396	50	40	EEGB	
COc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c1OC	409047973	QFJKMGAXOXSVOL-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
N#CC1=C(N)Oc2cc(O)cc(O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	5569131	YFVHXUOJWVAHHK-CQSZACIVSA-N	325.280	2.224	50	40	EEGB	
O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccco1	9954907	AOEOYRXDSWJOGX-UHFFFAOYSA-N	336.351	2.029	50	40	EEGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1OCC	5431795	YZTICKQPUDBDPX-XDHOZWIPSA-N	349.431	2.239	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1	223132	TWJRUKQDBIIUJV-LICLKQGHSA-N	329.312	2.133	50	40	EEGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccco3)CC2=O)cc1	409168883	NJWQKHISBWORGX-KVMVOAJRSA-N	325.368	2.345	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccccc1-n1cccc1	252511334	ZZHXMXHYGXCMHZ-YBFXNURJSA-N	325.347	2.422	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1	4573649	VQJGDXSBBNLUIO-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C	1448369	RZDSRRVVVJVDHU-FHIITYSISA-N	330.384	2.267	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)C2CCOCC2)c(C)n1-c1ccccc1	25164564	XJSYGDPOYOCDJN-UHFFFAOYSA-N	341.411	2.282	50	40	EEGB	
CCOC(=O)N1CCC(=NNC(=O)COc2cccc(C)c2)CC1	4947767	RZRRMAQMZRJHCZ-UHFFFAOYSA-N	333.388	2.098	50	40	EEGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2c(c1)OCO2	3195609	LJIXJBXXTHOVAL-RQZCQDPDSA-N	327.296	2.016	50	40	EEGB	
CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1	27995543	NBEGFPFBBAGMQY-UHFFFAOYSA-N	336.804	2.235	50	40	EEGB	
CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2ncccn2)cc1	48234481	LETAWKFDNNRQLQ-SNVBAGLBSA-N	331.401	2.059	50	40	EEGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccco1	12870978	NJNYVHLDXNJOLF-UHFFFAOYSA-N	342.330	2.296	50	40	EEGB	
CC1=C(C(=O)c2ccccc2)[C@@H](C)C(C#N)=C(SCC(N)=O)N1	20158367	JYVWHRRVRHRHSH-JTQLQIEISA-N	327.409	2.336	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccccc1C	223498	BYPVFNQXBADXEM-VXLYETTFSA-N	342.355	2.474	50	40	EEGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccncc4)ncnc32)cc1	545937	GWQUNOQJDZHIII-UHFFFAOYSA-N	345.366	2.276	50	40	EEGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCOCC1)[C@H](Br)C2=O	100834621	PSVKKNZQUJYPMT-VCTAVGKDSA-N	344.249	2.004	50	40	EEGB	
O=C(Cl)[C@H]1CC(=O)N(CCNc2ccc(Cl)cc2[N+](=O)[O-])C1	45958831	DSAVWCCTSXDBFE-QMMMGPOBSA-N	346.170	2.274	50	40	EEGB	
Cn1cc(/C=C/C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)cn1	1614994424	PCGKFYBRGXXUTL-ZHACJKMWSA-N	326.400	2.405	50	40	EEGB	
CN1C(=O)N[C@@H](c2cccc(N(CCCl)CCCl)c2)C1=O	2003837	YANVAAFHSOENRQ-LBPRGKRZSA-N	330.215	2.193	50	40	EEGB	
O=C(CCC(=O)N/N=C/c1ccsc1)N/N=C/c1ccsc1	2089592	XAVBXJDWCOAEJU-BGPOSVGRSA-N	334.426	2.190	50	40	EEGB	
CC/C(C)=N/NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	6601239	BOYADXWVCJFLJE-FOWTUZBSSA-N	325.434	2.233	50	40	EEGB	
C/C=C/c1cc(C(=O)NNC(=O)c2ccco2)cc(OC)c1OC	8777174	QHHPWWGRXJHVAJ-GQCTYLIASA-N	330.340	2.405	50	40	EEGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)c1	409156436	NRPFKJBVFRPYAK-GIJQJNRQSA-N	331.759	2.443	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	40844659	UYVZJZRWMJGTFU-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=S(=O)(CCl)N(c1ccccc1)S(=O)(=O)c1ccccc1	255188746	LGZPDMUPARFFFY-UHFFFAOYSA-N	345.829	2.408	50	40	EEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)cc1Cl	5655461	JFMGMJKONKPRTF-CSKARUKUSA-N	343.166	2.241	50	40	EEGB	
N#CC1=C(S)NC(=S)[C@H]([n+]2ccccc2)[C@@H]1c1cccnc1	33723889	XWWFFNCIUCUYEV-ZIAGYGMSSA-O	325.442	2.290	50	40	EEGB	
COc1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC	36645990	MYOLRSSBQOGLLW-ZDLGFXPLSA-N	330.388	2.488	50	40	EEGB	
CC(C)CC(=O)NNC(=O)c1ccc(OCc2cccnc2)cc1	24661310	NZOLZEYGYGDHHT-UHFFFAOYSA-N	327.384	2.468	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1	50020759	VIPAAMVLXCVXLA-JAIQZWGSSA-N	335.363	2.366	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1	59433952	JOBRQEZCUIDKSS-YBFXNURJSA-N	341.367	2.101	50	40	EEGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2OC)c2ccccc21	4544147	VPXIOQSIDWGLRR-JZJYNLBNSA-N	335.363	2.362	50	40	EEGB	
COc1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1OC	409205499	NZVVNOJSCMCZFW-KEBDBYFISA-N	339.395	2.170	50	40	EEGB	
O=C1N(CN2CCCCC2)c2ccccc2[C@]12OC[C@@H](CCl)O2	12377329	CDHHNOIBYWPSSL-CXAGYDPISA-N	336.819	2.284	50	40	EEGB	
N#CCC(=O)N/N=C\c1cc(Br)c(Br)o1	4513030	RKFYQFMCUXDVGE-QCDXTXTGSA-N	334.955	2.168	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1	58835	GJRQNXIJMZSSHV-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cccs1	566187	GZGFHNQDICIFHZ-LICLKQGHSA-N	332.381	2.454	50	40	EEGB	
O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccccc1	296312	PEKSTPZJMQCIGI-UHFFFAOYSA-N	327.365	2.381	50	40	EEGB	
Cc1cc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)on1	12689703	SPYLUFJYUXZPDU-UHFFFAOYSA-N	342.380	2.490	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)Nc1ccccc1	8753639	XMFJHXMLCDXYLG-UHFFFAOYSA-N	325.777	2.355	50	40	EEGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3O)CC2=O)cc1	37501208	LWWGDOBOTZXJPC-PFHZTYADSA-N	337.379	2.204	50	40	EEGB	
Cn1cc(Br)c(C(=O)N/N=C/c2c[nH]c3ccccc23)n1	31035	FXZVFOQXCPXTHQ-REZTVBANSA-N	346.188	2.428	50	40	EEGB	
COc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OC(C)C	529856	HIRWDPWIPOBMJB-VXLYETTFSA-N	344.415	2.446	50	40	EEGB	
CC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1	199412370	MFMJJOPQUNAVCQ-UHFFFAOYSA-N	325.368	2.299	50	40	EEGB	
C/C(=N\NC(=O)CNc1ccccc1)c1ccc2c(c1)OCCO2	6297587	CZAHKWYAYPTSMP-DEDYPNTBSA-N	325.368	2.410	50	40	EEGB	
O=C([C@H](Br)CBr)n1c(=O)oc2ccccc21	3015530	OMQJQWLPOPZWTI-ZCFIWIBFSA-N	348.978	2.393	50	40	EEGB	
CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1OC	6224509	AOWDLXWBCJURNX-OAHLLOKOSA-N	328.368	2.314	50	40	EEGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCC#N	59334961	SWUMSHKQRSTQPT-XFFZJAGNSA-N	334.173	2.347	50	40	EEGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1	408905483	ARLFPGMPRKPUFP-GRSHGNNSSA-N	326.356	2.015	50	40	EEGB	
Cn1nc(C(=O)OC(=O)c2nn(C)c3ccccc23)c2ccccc21	504647364	WXKUAYVKUKAIQR-UHFFFAOYSA-N	334.335	2.457	50	40	EEGB	in-vitro
CCCCCn1nc(C)c(/C=N/NC(=O)c2cc[n+]([O-])cc2)c1C	3168549	MCHYVXQCHBARFB-LDADJPATSA-N	329.404	2.087	50	40	EEGB	
CCN(CC)c1nc(N)c2c(N)nc3c(c2c1C#N)C[C@@H](CCl)O3	12504777	JBBUURHWECSQGK-QMMMGPOBSA-N	346.822	2.054	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(C)cc(C)c2)c1	59503429	BQLKSNKNLYXDID-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(CC(=O)N/N=C\c1cccc(Cl)c1)NCc1ccccc1	59444811	SCSFRUAYQFJNRZ-NDENLUEZSA-N	329.787	2.497	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1	102201672	MMHFIMVWQGGKJL-VGWMRTNUSA-N	344.411	2.318	50	40	EEGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccccn1	12763137	BQCSLJXLQZPLJP-ZDUSSCGKSA-N	335.363	2.463	50	40	EEGB	
COc1ccc2ccccc2c1/C=N\NC(=O)CC1(C)OCCO1	28503378	SOTDLNOPGHIYNG-UNOMPAQXSA-N	328.368	2.452	50	40	EEGB	
O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)O[C@@H](CCl)C(=O)c1ccccc1	408666390	PKBPURKOZIBHQC-DBWOOVFOSA-N	348.782	2.218	50	40	EEGB	
C[C@H](Sc1nnnn1C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104577767	HCDBPJUQLRKIGE-PHAVJPBESA-N	344.425	2.213	50	40	EEGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	10730973	NBCYZOBANLHNFK-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408966294	ZJFQQEUZXKTPSS-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccc2ccccc12)c1ccc(O)cc1	35685890	FJJDQIQQYHOEAZ-UHFFFAOYSA-N	342.376	2.169	50	40	EEGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1ccoc1C)[C@@H]2C(=O)O	17072071	QVRCJJDUOXMWKO-CTHBEMJXSA-N	346.383	2.042	50	40	EEGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1	8733178	JDZYPQXYIGSSPS-NSHDSACASA-N	331.185	2.444	50	40	EEGB	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc2c(s1)CCCCCC2	44977141	LEEBHCKNRJUFOQ-UHFFFAOYSA-N	345.424	2.115	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])c1	13941970	KPLQGSOSMXKJKO-NVMNQCDNSA-N	343.339	2.446	50	40	EEGB	
C/C(=N\NC(=O)COc1ccccc1F)c1ccc2c(c1)OCO2	6312224	VYKAAZVIYWCGBH-YBFXNURJSA-N	330.315	2.474	50	40	EEGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccc(C(N)=O)c1)C2	104394231	BXGTYHZBHITFOW-RUIXMYMFSA-N	343.427	2.483	50	40	EEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CCCc1nc2ccccc2s1	104799831	SLLFJDBDZXUBDQ-QXMHVHEDSA-N	343.408	2.488	50	40	EEGB	
COc1ccc([C@@H]2[C@@H]3CN(C)CC[C@@H]3C(C#N)=C(N)C2(C#N)C#N)cc1	103402222	URHXXNDPZXGTAG-KBAYOESNSA-N	347.422	2.130	50	40	EEGB	
COc1ccc(S[C@H](C)C(=O)NNc2nccc(OC)n2)cc1	48252428	LBECLMUGUKFNMF-SNVBAGLBSA-N	334.401	2.118	50	40	EEGB	
N#CSc1ccccc1/C=N/NC1=NS(=O)(=O)c2ccccc21	5770492	SEAGIZULWZRAOQ-RQZCQDPDSA-N	342.405	2.332	50	40	EEGB	
O=C(NNC(=O)c1cccc2cccnc12)c1cnc2ccccc2n1	64501944	MJPSEMIWQGINHF-UHFFFAOYSA-N	343.346	2.253	50	40	EEGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccn(CC(F)(F)F)n1	253399516	JPDBRMZHSWTGCG-LBPRGKRZSA-N	338.289	2.260	50	40	EEGB	
NC(=O)C1=CC2=CC=C[C@H](Br)C2=[N+]([O-])c2ccccc21	1569999043	BAEMINJTMCEURH-LBPRGKRZSA-N	331.169	2.411	50	40	EEGB	
CCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1OC)C(C#N)=C(N)O2	2202086	ODSYKNMSFOLVKP-INIZCTEOSA-N	337.379	2.403	50	40	EEGB	
CN(C)c1cccc(C(=O)NNC(=O)CSc2ccccc2)c1	3395161	CNBHUUBGDWLOSK-UHFFFAOYSA-N	329.425	2.306	50	40	EEGB	
O=C(N/N=C/c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccccc2)C1	49903	TVXWSWIZGKAOPQ-HXJASHHUSA-N	325.343	2.329	50	40	EEGB	
C[C@H](CI)CN1C(=O)c2ccccc2C1=O	39176801	ZCQLLDAEZGKLLX-MRVPVSSYSA-N	329.137	2.354	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c1O	3059876	LIUVISXERBJZFO-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1C	353495	HNECDBVRWCYIRY-UHFFFAOYSA-N	337.379	2.463	50	40	EEGB	
CCOC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	125143	KPDQMUVDZNNNOO-OAHLLOKOSA-N	342.351	2.118	50	40	EEGB	
COc1ccc(OC)c(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)c1	4136544	NDPGYEJSIRGDBL-YBFXNURJSA-N	338.367	2.273	50	40	EEGB	aggregator
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)NC1CCCCC1	8475523	QLBNPROECXKSMD-JOGIVDDZSA-N	342.233	2.006	50	40	EEGB	
Cc1c(C(=O)O)oc2c1/C(=N/NC(=O)c1cccc(O)c1)CCC2	95949803	KEAKJDZAOKXBBI-LDADJPATSA-N	328.324	2.462	50	40	EEGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	409096478	KFXSTSPYDNNLRO-RQZCQDPDSA-N	329.312	2.381	50	40	EEGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccccc1Br	252508863	XWCVVMBNBNLRRL-FRKPEAEDSA-N	339.168	2.394	50	40	EEGB	
O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	16480997	DHMHAGYQOJYJIF-FXCYLHMPSA-N	346.427	2.017	50	40	EEGB	
O=C(CBr)OC[C@@H](Br)CBr	1676059	NUHNFFMVULWCIP-BYPYZUCNSA-N	338.821	2.083	50	40	EEGB	
Cc1ccccc1-n1ccnc1SCC(=O)NNC(=O)C1CCC1	69697314	UXXRTBGZZQRWNZ-UHFFFAOYSA-N	344.440	2.220	50	40	EEGB	
COc1ccc(Cl)cc1NCC(=O)NNC(=O)c1ccccc1	10214657	BESMSTMDBGFUHT-UHFFFAOYSA-N	333.775	2.222	50	40	EEGB	
CCCCOc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1	60415459	KDCKDAZEIQFLTH-UHFFFAOYSA-N	333.310	2.372	50	40	EEGB	
CC1(C)CC(=O)C=C(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1	4697231	YJFJRDZXBXTBRM-UHFFFAOYSA-N	348.315	2.010	50	40	EEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2)n[nH]1	4705502	LSCYXEHXGSOBOK-CXUHLZMHSA-N	325.284	2.342	50	40	EEGB	
COC(=O)c1sc(N2CCCCC2)nc1NC(=O)CCCl	32951714	WCDNBKKBHBWLBT-UHFFFAOYSA-N	331.825	2.487	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	581748	JVVZSYQMZPJACD-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COC(=O)/C(C#N)=C1\CCCC[C@H]1/C(SC)=C(/C#N)C(=O)OC	35193618	WHIRJRPPYCTMHP-GQNWZYKASA-N	334.397	2.483	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC)cc1	60047	ULKGRZQSKITGFK-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
N/C(=N/NC(=O)c1cccc(Cl)c1)c1cc2ccccc2oc1=O	32601303	VMCJGWJTVHARSB-UHFFFAOYSA-N	341.754	2.497	50	40	EEGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1	8733179	JDZYPQXYIGSSPS-LLVKDONJSA-N	331.185	2.444	50	40	EEGB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)C1	3368010	QISXHKGQKNAMES-CYBMUJFWSA-N	330.413	2.450	50	40	EEGB	
O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1cccnc1	13001170	SFFLOXHYVPLIEI-UHFFFAOYSA-N	344.421	2.270	50	40	EEGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	5716438	HQUPYWMLLCUVQA-XFXZXTDPSA-N	346.364	2.064	50	40	EEGB	
O=C(NNC(=O)C1CCCCC1)c1ccc(N2CCCC2=O)cc1	6785542	QNICTMPPBIWXLH-UHFFFAOYSA-N	329.400	2.155	50	40	EEGB	
C[C@@H](Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	8855848	MAUYFAOQAKMIGP-SSDOTTSWSA-N	325.217	2.156	50	40	EEGB	
CC(C)N1C(=O)/C(=N\NC(=O)CNc2ccccc2)c2ccccc21	102377463	QLKBKZCIYVXXEP-PYCFMQQDSA-N	336.395	2.374	50	40	EEGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	59391823	AYHZFLNXLKAEQO-DJKKODMXSA-N	339.351	2.121	50	40	EEGB	
O=C(NNS(=O)(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2	6051647	CGDRUOQYXSIUTD-UHFFFAOYSA-N	340.470	2.274	50	40	EEGB	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)c1	7981318	PICRFOCQZIBNNM-UHFFFAOYSA-N	343.408	2.408	50	40	EEGB	
CCCCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)C(C)C	75602066	ZNZQSZNCNGQROL-UHFFFAOYSA-N	340.493	2.042	50	40	EEGB	
Cn1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	13584443	FCCDLHINYXHQMR-QOYJSAPCSA-N	335.363	2.468	50	40	EEGB	
COc1cccc(/C=N/NC(=O)COc2ccc(F)cc2)c1OC	32997	FAIYCWXSRZCACD-VXLYETTFSA-N	332.331	2.372	50	40	EEGB	
CCCCCCCC(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	100961313	GDVNVOBUIRRJIS-UHFFFAOYSA-N	343.405	2.265	50	40	EEGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccn1	59472775	HGMLOIIHWPSZQD-RQZCQDPDSA-N	330.369	2.373	50	40	EEGB	
C=C(C)CN(CC)C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	12622482	PUVJZHWJWNFNSG-LBPRGKRZSA-N	346.456	2.175	50	40	EEGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	4694091	NNIUJQIHRQRTHQ-GYKGCMEESA-N	341.323	2.275	50	40	EEGB	
CS(=O)(=O)Nc1ccc(C(=O)CBr)c(Cl)c1	94986151	NSKUDKLCSLBRTL-UHFFFAOYSA-N	326.599	2.289	50	40	EEGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCC1)c1cccnc1	15018813	XYVNCQYGKGAMKX-UNOMPAQXSA-N	339.355	2.354	50	40	EEGB	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](Cc3ccccc3)[C@@H]2C1	4103205	RSQBDANEMJIELQ-MSOLQXFVSA-N	329.407	2.117	50	40	EEGB	
O=C(CC(=O)N/N=C/c1c(F)cccc1Cl)NCc1cccnc1	58885204	SJCARLHSBXUUHL-UFFVCSGVSA-N	348.765	2.031	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccc(O)c(CN(C)C)c2)cc1	1647716	HSMCOUDGGGGSNH-YBFXNURJSA-N	327.384	2.226	50	40	EEGB	
O=C(NNC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc(F)cc1	50096510	LPQOLFYQXOKXQD-OAHLLOKOSA-N	328.347	2.412	50	40	EEGB	
O=C(Nc1ccccc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	8474826	HGPVWMBJGZUJGG-NGFXDRFKSA-N	336.185	2.196	50	40	EEGB	
COC(=O)Cc1csc(N(C(=O)c2ccc(Cl)o2)N(C)C)n1	585125018	DEOGQESNSOOEDH-UHFFFAOYSA-N	343.792	2.228	50	40	EEGB	
O=C(COc1ccc(F)cc1)N/N=C/c1ccc2c(c1)OCCO2	3532478	PXFNIXVUMSKBEX-VXLYETTFSA-N	330.315	2.126	50	40	EEGB	
C=CCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	58914348	HUHHKUDCNNKTQJ-GRSHGNNSSA-N	331.759	2.352	50	40	EEGB	
COc1cc(/C=N/NC(C)=O)ccc1Oc1ccc([N+](=O)[O-])cn1	4108047	IWWZABNLNDTITL-CAOOACKPSA-N	330.300	2.261	50	40	EEGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC(=O)OC	408769379	SJELUHDHBANMEW-ZSOIEALJSA-N	346.383	2.069	50	40	EEGB	
CSc1ncc(/C=C/C(=O)NNc2ccc([N+](=O)[O-])cc2)cn1	33636356	KDMGGIIELONCNE-FARCUNLSSA-N	331.357	2.263	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1	33668801	LSCRVLBQJAGEGE-UDWIEESQSA-N	336.351	2.311	50	40	EEGB	
CC(=O)c1c(NNC(=O)CNc2cccc(Cl)c2)cc(C)oc1=O	41124498	AOYIPCWWGHXVET-UHFFFAOYSA-N	349.774	2.359	50	40	EEGB	
O=C(CN1CCOCC1)NN(Cc1ccccc1)c1ccccc1	20792036	VBSDEXGHTPPGQE-UHFFFAOYSA-N	325.412	2.057	50	40	EEGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2OC[C@@H]2CCCO2)n1	22876696	CVEBEMMKNUOMET-AWEZNQCLSA-N	342.399	2.408	50	40	EEGB	
CCC1(C)COC(C)(CC(=O)NNC2=CC(=O)CC(C)(C)C2)OC1	338029	YZWGMJFWYDGFRR-UHFFFAOYSA-N	338.448	2.450	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Cl)cc32)cc1	4724671	ISDGEMZPXQKEIH-UHFFFAOYSA-N	343.770	2.500	50	40	EEGB	
CCC[C@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	5297137	UWOZGVSFBGMRFI-WDEREUQCSA-N	334.445	2.055	50	40	EEGB	
C[C@H](Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	8855847	MAUYFAOQAKMIGP-ZETCQYMHSA-N	325.217	2.156	50	40	EEGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2ccccc2Cl)C1	575419578	TXCBGFFXIJDUCN-WCBMZHEXSA-N	339.269	2.031	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	262924	RHZLRBKJGRAPLO-GIJQJNRQSA-N	325.324	2.138	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1OC	3356027	AYTJPPJFUQCRFL-YBFXNURJSA-N	341.367	2.426	50	40	EEGB	
C/C(=N\NC(=O)CN1CCN(c2ccc(F)cc2)CC1)c1ccco1	13111740	PZHUFNATHFKOKK-XSFVSMFZSA-N	344.390	2.081	50	40	EEGB	
NNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12	13945766	GQFQUPLQMOISQB-GOSISDBHSA-N	334.379	2.093	50	40	EEGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)C(F)(F)F	35671035	MLNZKLHUBJFJRJ-UHFFFAOYSA-N	343.261	2.442	50	40	EEGB	
Cc1ccc(NC(=O)CNNC(=O)C2CCCCC2)cc1[N+](=O)[O-]	6566270	XLYJBVGPDQHWMR-UHFFFAOYSA-N	334.376	2.043	50	40	EEGB	
O=C(NNC(=O)[C@H](c1ccccc1)n1cccn1)c1ccccc1F	68564160	OCLJZNALRJZANI-INIZCTEOSA-N	338.342	2.073	50	40	EEGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)C(F)(F)F	32624802	IYBDUJZSQHZGLD-UHFFFAOYSA-N	329.234	2.134	50	40	EEGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	5479774	PEFCWYQMZIOYIB-CAPFRKAQSA-N	337.766	2.454	50	40	EEGB	
COc1ccc(C(=O)N/N=C\c2cc3c(cc2OC)OCO3)cc1	409063079	GQDMFOMBGJTDQB-NVMNQCDNSA-N	328.324	2.196	50	40	EEGB	
N#CC1=CC[C@H](NC(=O)c2ccccc2)[C@H](NC(=O)c2ccccc2)O1	4267635	OAWOECMKRMOSGB-FXAWDEMLSA-N	347.374	2.369	50	40	EEGB	biogenic
COc1ccc(OC)c(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	34859979	IRNQSUICSSGLHM-WQRHYEAKSA-N	343.339	2.305	50	40	EEGB	
Cc1nnsc1C(=O)N/N=C\c1cc(Br)ccc1O	96113522	RRYHYBRJBYHZIG-ACAGNQJTSA-N	341.190	2.079	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1	582565	SBEJGMWXLLZPEV-YBFXNURJSA-N	342.351	2.239	50	40	EEGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccn[nH]1	508301	NJWXAPPNIHKJNO-GIJQJNRQSA-N	328.763	2.321	50	40	EEGB	
CN(C)c1oc(/C=N/NC(=O)c2ccccn2)cc1Br	59104217	OBPOOZTVNFPRJU-LZYBPNLTSA-N	337.177	2.267	50	40	EEGB	
Cc1ccc(C)c(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1	408774898	YPBPHLGHLMTGQB-UHFFFAOYSA-N	337.445	2.116	50	40	EEGB	
COc1ccccc1C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	5880557	TZVUWSNWOSVJHZ-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
O=C(c1ccccc1)[C@H](CCl)OC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2	408666394	PKBPURKOZIBHQC-MNQBEEPXSA-N	348.782	2.218	50	40	EEGB	
CC(C)Oc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	5381399	BCMTVGIJROKAKB-FYJGNVAPSA-N	339.395	2.240	50	40	EEGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccco1	100212472	UXAXJKBMUGKXDU-UHFFFAOYSA-N	334.129	2.128	50	40	EEGB	
N#CC1=C(S)NC(=S)[C@@H]([n+]2ccccc2)[C@@H]1c1cccnc1	33723890	XWWFFNCIUCUYEV-KGLIPLIRSA-O	325.442	2.290	50	40	EEGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccncc2)c1	569248	MPWRWJJJNDUMKW-UHFFFAOYSA-N	327.384	2.353	50	40	EEGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)cn1	2356977	RMHSEZJEJJFMQC-IDUWFGFVSA-N	334.719	2.421	50	40	EEGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1	59516235	GGSPKSXUTPQZFV-ZICWZVMQSA-N	343.358	2.162	50	40	EEGB	
CC(C)(C)c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)[nH]n1	6159357	MHWUECCPBDWUFG-LZYBPNLTSA-N	331.332	2.085	50	40	EEGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(O)c1	408588844	JZNPBLRTVUYYFD-WAKXPGHKSA-N	328.368	2.363	50	40	EEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505502	WZEWESPKYJQUSE-FUGMWREVSA-N	347.842	2.253	50	40	EEGB	biogenic,in-vitro
CCOc1ccccc1/C=N\NC(=O)CC(=O)NCc1ccccc1	59444815	QFURPKKKGPDVGW-STZFKDTASA-N	339.395	2.242	50	40	EEGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(N2CCOCC2)o1	408998063	HWQIQYSNDCSTLW-LDADJPATSA-N	345.424	2.359	50	40	EEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Cl)c1	100233165	IXOMHPDEPRMKFN-ZDUSSCGKSA-N	330.727	2.004	50	40	EEGB	biogenic,in-vitro
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)c(O)c1	4491841	KZTOYKIKKPTGDM-UHFFFAOYSA-N	330.384	2.075	50	40	EEGB	
COc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1	8666908	RSZJXJDAKGRHAG-UHFFFAOYSA-N	328.290	2.499	50	40	EEGB	
COC(=O)[C@H](CNC(=O)CBr)Cc1ccc(Cl)cc1	95097989	PIZBDSUTBCYYQZ-JTQLQIEISA-N	348.624	2.183	50	40	EEGB	
Cc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1	11342363	ZESFUCDFGJLUQR-UHFFFAOYSA-N	346.770	2.266	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@H]1COc2ccccc2O1	12941864	AKICUHYPQSDJDO-MRXNPFEDSA-N	332.400	2.334	50	40	EEGB	
NNC(=O)c1ccccc1NC(=O)c1ccccc1Br	291639	GLPXZDZMDGMERZ-UHFFFAOYSA-N	334.173	2.305	50	40	EEGB	
N#C/C(=C\Nc1ccc(Br)cc1)C(=O)N1CCOCC1	1913387	NODKQPAPMQJJNW-ZHACJKMWSA-N	336.189	2.127	50	40	EEGB	
O=C(NNC(=O)c1ccccc1F)c1cncc(Br)c1	2726378	NCZCLRYTSMQJIW-UHFFFAOYSA-N	338.136	2.058	50	40	EEGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(N)=O)c3ccccc32)o1	409392432	MONMXVCXDPMTCZ-UFWORHAWSA-N	340.339	2.071	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c([N+](=O)[O-])c1	50474	AAAYSHMCBYUFIR-RQZCQDPDSA-N	329.312	2.138	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cc1F	56480478	YRABBCXCZLVMIU-UHFFFAOYSA-N	340.314	2.259	50	40	EEGB	
CN1C(=O)/C(=N/NC(=O)CSCc2ccccc2)c2ccccc21	59152872	NZNCPOBLNXGYDV-LVZFUZTISA-N	339.420	2.417	50	40	EEGB	
CCS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(Br)cc1	96518912	VAKPXHPWPBFMHK-ZJUUUORDSA-N	327.627	2.482	50	40	EEGB	
O=C(N/N=C/c1cccs1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	5677317	LQQNIWZJEZNIBJ-KECVIQKOSA-N	331.372	2.390	50	40	EEGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-]	19720258	HWNFDOHIKOQTSU-LICLKQGHSA-N	329.312	2.463	50	40	EEGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc([N+](=O)[O-])c1	59427218	NATPCWIHCLTUGM-VCHYOVAHSA-N	325.328	2.366	50	40	EEGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)c1	3577616	VHVJCDXBRGXZHM-YBFXNURJSA-N	326.352	2.295	50	40	EEGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1C	36020516	CGRHOPQAEWABSY-GIJQJNRQSA-N	343.339	2.446	50	40	EEGB	
CCOc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)ccc1O	32109234	NXDSDFCIDRSHMV-KLSKMWHSSA-N	342.351	2.081	50	40	EEGB	
Cc1ccc(C(=O)NNC(=O)CN2CCCc3ccccc32)s1	10037776	FFZFLXXZVUXGKY-UHFFFAOYSA-N	329.425	2.270	50	40	EEGB	
CCn1c(NNC(=O)c2ccc(OC)cc2)nc2ccccc2c1=O	11156442	VWUQMFAXKHXILF-UHFFFAOYSA-N	338.367	2.182	50	40	EEGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccco3)CC2=O)cc1C	409173281	OMBJVTLJJKBZSC-LEBHLANCSA-N	325.368	2.400	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(OC)ccc2O)c1	8339587	UZPFBTAWBCTSCY-VCHYOVAHSA-N	330.340	2.182	50	40	EEGB	
CN1/C(=C(\C#N)C(=O)CSc2cccc[n+]2[O-])Nc2ccccc21	100823433	HRDFUGAQKLFJKY-SFQUDFHCSA-N	338.392	2.278	50	40	EEGB	
Cc1ccc(NC(=O)C(=O)NN=C2CCN(C(C)(C)C)CC2)cc1	60807607	KRZJWECHAOIPQS-UHFFFAOYSA-N	330.432	2.300	50	40	EEGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OC)c1	5006556	XQBMMKAMSKPZHG-OQLLNIDSSA-N	332.400	2.400	50	40	EEGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2OC)c(OC)c1	5675591	SRVPMDISCNGDOZ-YBFXNURJSA-N	344.367	2.242	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1	223371	XJQCLSGNNFZFPB-RGVLZGJSSA-N	325.368	2.344	50	40	EEGB	
CC(=O)Nc1cccc(C(=O)N/N=c2/sc3ccccc3n2C)c1	101528743	APNCLIKJDAZYDA-LVZFUZTISA-N	340.408	2.444	50	40	EEGB	
CC(=O)OCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1	546857	PVYFKDBWJYEILU-HNNXBMFYSA-N	328.324	2.157	50	40	EEGB	
CCOC(=O)NNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O	75146032	NRQDJEOUTKSBMP-UHFFFAOYSA-N	332.360	2.092	50	40	EEGB	
Nc1nnc(CC(=O)N/N=C/c2ccc(-c3ccccc3)o2)s1	509920	IGCXRMBMTFCCBN-RQZCQDPDSA-N	327.369	2.073	50	40	EEGB	
CC1(C)OC[C@@H](CO[P@](N)(=O)N(CCCl)CCCl)O1	1730287	YKXMOSMMYHSZNZ-UGZDLDLSSA-N	335.168	2.001	50	40	EEGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)c(C)c1	6281740	OICMBPLFOUJILE-UHFFFAOYSA-N	333.438	2.314	50	40	EEGB	
COc1cccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1OC	409145249	NIYVVZJZMRKBMQ-VXLYETTFSA-N	342.351	2.125	50	40	EEGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1	408710533	BPWPGURNPXYYEA-VCHYOVAHSA-N	330.340	2.269	50	40	EEGB	
Cc1ccc(NC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	5825574	YRKRPMPKLRCYBR-UHFFFAOYSA-N	340.383	2.403	50	40	EEGB	
O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1	15461822	JYDOKAPLCBAFBI-INIZCTEOSA-N	327.359	2.080	50	40	EEGB	
O=C(N/N=C/c1ccncc1)C1CCN(C(=O)c2ccccc2)CC1	409005344	HVQCNMZZIJDLDZ-KGENOOAVSA-N	336.395	2.084	50	40	EEGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1C	3127167	RLUJYKVIENXTJB-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
COc1ccc(OC)c(-c2cc(C(=O)NN)nn2-c2ccccc2)c1	59472519	XOMSYJHKICQEFR-UHFFFAOYSA-N	338.367	2.160	50	40	EEGB	
CC(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	58883198	GJGNBIMMDCGONB-GQFJFNLSSA-N	339.395	2.413	50	40	EEGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc1	6504479	RLAORYYWTMWEAP-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
O=C(N/N=C/C=C/c1ccccc1)c1csc(N2CCOCC2)n1	8498894	ILMCCMXUWZLEGR-FLGOTCTISA-N	342.424	2.409	50	40	EEGB	
CCc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1	409000751	FSAXIGVVDOYHRE-FYJGNVAPSA-N	339.395	2.024	50	40	EEGB	
CCO/C=C(\C#N)C(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1	585087086	QWNGSJYKYNVKDJ-PDPOEPHVSA-N	349.431	2.146	50	40	EEGB	
Cc1cccc2c1N=C(O)/C2=N\NC(=O)Cc1cn2ccsc2n1	13112143	NIAUCTLHKUJJDX-UHFFFAOYSA-N	339.380	2.369	50	40	EEGB	
NC1=N/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21	16545860	JNECHKPVDGLNGK-UHFFFAOYSA-N	344.374	2.416	50	40	EEGB	
O=C1[C@@H](Br)[C@H](Br)C(=O)N1c1ccccc1	100157141	FTSDYNGSNGJRLL-YUMQZZPRSA-N	332.979	2.087	50	40	EEGB	
O=C(N/N=C/c1ccc(O)cc1O)/C(=C/c1ccccc1)CCO	2248274	ATGSQJIRVOZMHS-KSDCHOHSSA-N	326.352	2.014	50	40	EEGB	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NN(C)C)c2)c1	8049654	VPJPNWAZBOVMMI-UHFFFAOYSA-N	347.440	2.311	50	40	EEGB	
Cc1cc(C)nc(SCC(=O)N/N=C2/CCOc3ccccc32)n1	96032382	MXVRCACMGKWXIR-ZHZULCJRSA-N	342.424	2.489	50	40	EEGB	
Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)c1cccc(O)c1	8745213	HGMFJMIAMZDDGI-UHFFFAOYSA-N	339.326	2.463	50	40	EEGB	
Cc1cc(C)c2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	421473	GLMVYZHEAURZOU-HNNXBMFYSA-N	347.378	2.395	50	40	EEGB	
O=P(O[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1	8674163	BIQYQXHKPUDWSL-AWEZNQCLSA-N	336.349	2.119	50	40	EEGB	
N#CCC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	5590562	KEKIDAYUAVUUAH-GIJQJNRQSA-N	325.284	2.146	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	59409	CPSDTXIIGFORNL-CYBMUJFWSA-N	325.280	2.075	50	40	EEGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)N1CCCCC1	59444344	UHTTXIBEOVEZJF-RQZCQDPDSA-N	328.199	2.456	50	40	EEGB	
CCCCc1n[nH]c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	17724773	LWVIXJTXQWBNPB-IBGZPJMESA-N	349.394	2.101	50	40	EEGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c2C)c1	408971359	ITGJKKNGFNKJMV-RGVLZGJSSA-N	340.427	2.377	50	40	EEGB	
Cc1ccc(OCC(=O)NNC(=O)NCc2ccccc2F)cc1C	31724434	UEUNYDJXVIJHLH-UHFFFAOYSA-N	345.374	2.352	50	40	EEGB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1F	3372306	LWPQPLZWJQIJRN-MDZDMXLPSA-N	329.287	2.208	50	40	EEGB	
Cc1nc(/C=C/C(=O)NNC(=O)c2cccc3cccnc23)cs1	64501609	OZVDQJYBAWXWRM-BQYQJAHWSA-N	338.392	2.474	50	40	EEGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)c2ccccc2O)cc1)C(=O)O	408847638	QUPQQNTXTJTQCF-IPHDDYSGSA-N	328.324	2.008	50	40	EEGB	
CCCC(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=N	101359241	PYZYRXVBHAVANI-CQSZACIVSA-N	327.215	2.430	50	40	EEGB	
CCOCc1c(C(=O)NNC(=O)c2ccccn2)oc2ccccc12	12907853	BPQCZCINWBIQLF-UHFFFAOYSA-N	339.351	2.439	50	40	EEGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc([N+](=O)[O-])c1O	408979151	PDYZYZSQLMGFJR-LFYBBSHMSA-N	342.311	2.370	50	40	EEGB	
CCC[C@H]1CC2=C(C[C@@H](CC)CC3=C1C(=O)OC3=O)C(=O)OC2=O	8214967	NRDWUPPIGBHWAS-ZJUUUORDSA-N	332.352	2.373	50	40	EEGB	endogenous,in-man
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	565872	XVYSFOFPQKZUTP-YBFXNURJSA-N	326.352	2.311	50	40	EEGB	
COC(=O)c1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1	535283	DZUSCFRLHFUTFE-YBFXNURJSA-N	336.351	2.193	50	40	EEGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1	328343	MSKWYBVQIHAAGG-UHFFFAOYSA-N	325.368	2.039	50	40	EEGB	
O=C(N/N=C\c1ccc(O)c(O)c1)c1cncc(Br)c1	31870520	YUBHCDNTASEDTR-BNCCVWRVSA-N	336.145	2.019	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc(OC)c1OC	30802973	MFZQMNSFBJFIBH-OCKHKDLRSA-N	329.356	2.180	50	40	EEGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	254251	MNRQIFFNWZFYQN-RQZCQDPDSA-N	342.311	2.023	50	40	EEGB	
O=C(CCC1CCCCC1)NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O	102202088	FTTSTKILMGSBSU-UGQVUOCMSA-N	336.432	2.241	50	40	EEGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)c1	4599666	YXPLNPQMOOXBPM-YBFXNURJSA-N	325.368	2.401	50	40	EEGB	
COc1ccc(O)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c1	409255960	MUCZKFZKUJJDOI-RQZCQDPDSA-N	345.311	2.082	50	40	EEGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2nc(C)cc2C)cc1	188682	JDJCWDSMRAAYBG-XDHOZWIPSA-N	327.432	2.496	50	40	EEGB	
C/C(=N\NC(=O)CN1CCCc2ccccc21)c1csc(N)n1	54280012	GWPGHVOAMURASB-YBFXNURJSA-N	329.429	2.018	50	40	EEGB	
COCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C	2666799	MZPJXEDZMIUQEJ-WKPIXPDZSA-N	346.265	2.298	50	40	EEGB	
Cc1cc2c(c(=O)o1)[C@@H](c1csc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2051510	BLOYPNKKBUYHAC-NSHDSACASA-N	331.309	2.136	50	40	EEGB	
O=C(NNC(=S)NCCCc1ccccc1)c1ccc(O)cc1	408588039	WLPPMNNQFKBNPX-UHFFFAOYSA-N	329.425	2.134	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)C2=Cc3ccccc3CC2)c(C)o1	45909405	BXBYQBZIYMAICD-UHFFFAOYSA-N	346.408	2.448	50	40	EEGB	
O=C(CCl)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O	12504634	KLENFLGDRYZRJC-XFFZJAGNSA-N	342.779	2.217	50	40	EEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1O	3168308	QNLTVVYTBBAYHH-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
Cn1cccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1	55981	ZBROXGIECFLQKC-LICLKQGHSA-N	338.327	2.087	50	40	EEGB	
CCc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1C)C(=O)N2	20817148	RFTCXXXLJIQSJW-UHFFFAOYSA-N	337.379	2.409	50	40	EEGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccco1	3376230	ILVXQNOLQRVPTB-UHFFFAOYSA-N	329.139	2.426	50	40	EEGB	
N#CC1=CC[C@@H](NC(=O)c2ccccc2)[C@H](NC(=O)c2ccccc2)O1	4267632	OAWOECMKRMOSGB-YLJYHZDGSA-N	347.374	2.369	50	40	EEGB	biogenic
C=CCN1C(=O)C(C#N)=C(C)/C(=N/Nc2ccc(C(C)=O)cc2)C1=O	101139275	QLYQWRDRVSUGFX-PGMHBOJBSA-N	336.351	2.052	50	40	EEGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)cc(OC)c1OC	57787465	WRMMZLAWOQKMPF-RGVLZGJSSA-N	339.351	2.348	50	40	EEGB	
COc1ccc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)c(OC)c1	20518441	VPCLPYBFDQRHGF-ZDUSSCGKSA-N	345.424	2.348	50	40	EEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	33631279	JOSLQGSPGBGOGA-CXUHLZMHSA-N	344.283	2.276	50	40	EEGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	5855704	LBZHKIVCHSMZMF-UZYVYHOESA-N	337.379	2.343	50	40	EEGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(Cl)cc1	5945327	ZHQSDUJFEUWHPR-UHFFFAOYSA-N	339.829	2.351	50	40	EEGB	
N#CCC(=O)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	30803309	KEKIDAYUAVUUAH-NVMNQCDNSA-N	325.284	2.146	50	40	EEGB	
CCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2O)cc1	483006	UWRJGSSVOJFLCP-YBFXNURJSA-N	328.368	2.492	50	40	EEGB	
Cc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1Br	6215381	NPICZLFYIONJLA-CXUHLZMHSA-N	341.205	2.361	50	40	EEGB	
Cc1cn(CC(=O)NNC(=O)Cc2ccccc2F)c2ccccc12	66774720	LKRSPRSTQDPBGI-UHFFFAOYSA-N	339.370	2.479	50	40	EEGB	
Cc1ccc(C(=O)NNC2=Nc3cc([N+](=O)[O-])ccc3OC2)cc1	8302561	QTYDYRBJLPMSGO-UHFFFAOYSA-N	326.312	2.260	50	40	EEGB	
COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	252824	NHWCYTFRFIYYPQ-LICLKQGHSA-N	329.312	2.376	50	40	EEGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c(OC)c1	6170221	OMWZJMKAMQCARJ-YBFXNURJSA-N	344.367	2.485	50	40	EEGB	
O=C1[C@H](Cl)[C@H](c2ccccc2)N1n1cnc2ccccc2c1=O	1632084	HLHROVPJYKTBGW-CABCVRRESA-N	325.755	2.223	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)cc1	3300446	JKKQYIDUBXFXNA-UHFFFAOYSA-N	336.294	2.371	50	40	EEGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCc1ccco1	408733881	BWIMSEMCSZOUFP-NYYWCZLTSA-N	341.279	2.140	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)cc1OC	104181499	ALKMESQIKMXTFP-LSPINASFSA-N	328.368	2.278	50	40	EEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1O	59516295	PZFORVHMLQFKLA-GIJQJNRQSA-N	347.758	2.143	50	40	EEGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	3578520	VDIVLXUUQILRIN-YBFXNURJSA-N	326.352	2.476	50	40	EEGB	
CN1/C(=C(\C#N)C(=O)CSc2nccn2C)Nc2ccccc21	7061329	OPHXJGMXGOHBPI-RVDMUPIBSA-N	325.397	2.378	50	40	EEGB	
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1	5847946	MMHFIMVWQGGKJL-QXSJWSMHSA-N	344.411	2.318	50	40	EEGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(O)cc1	20986310	RWCHBQFKHGRJPD-XDHOZWIPSA-N	330.413	2.432	50	40	EEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCCC3)c(C)o1	7409354	FOWMPCPPZZUMDV-UHFFFAOYSA-N	348.424	2.399	50	40	EEGB	
O=C(N/N=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1F	409249920	JUIJQJNQWACUND-QGMBQPNBSA-N	335.722	2.274	50	40	EEGB	
CCOc1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)cc1OC	31729851	ALKMESQIKMXTFP-UEXNTNOUSA-N	328.368	2.278	50	40	EEGB	
C/C(=N\NC(=O)c1ccccn1)[C@H](c1ccccc1)N1CCOCC1	61092334	LIUSPSQMFLMQDE-ISPGYRLHSA-N	338.411	2.261	50	40	EEGB	
C=CCc1ccc(OCC(=O)N/N=C/c2cccnc2)c(OC)c1	55442	RNOKIVRDACLPCH-UDWIEESQSA-N	325.368	2.348	50	40	EEGB	
COC(=O)[C@H](Br)[C@@H](OC)c1ccc(OC)c(OC)c1	1673148	VZGSUAGRBQUVJP-NEPJUHHUSA-N	333.178	2.328	50	40	EEGB	
CCCCO[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C	57993895	JRGJVBRZUOKPSG-LSDHHAIUSA-N	336.432	2.423	50	40	EEGB	
Cc1cccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccs2)c1	6522130	POSJIIJTYNVLGE-BQYQJAHWSA-N	345.449	2.405	50	40	EEGB	
O=C(NNS(=O)(=O)c1ccccc1F)c1ccccc1Cl	7386268	UGKRXZXMCUPQST-UHFFFAOYSA-N	328.752	2.102	50	40	EEGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)c(O)c([N+](=O)[O-])c1	408956899	RPRMXTDGAHFNNE-MFOYZWKCSA-N	329.312	2.381	50	40	EEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1OC	13915900	UWVHVYYCBDYMJR-UHFFFAOYSA-N	328.368	2.395	50	40	EEGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccn1	14235947	YAIPASDPUVNODU-UHFFFAOYSA-N	342.742	2.465	50	40	EEGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2)c1C	408824614	IOGPQASXJAXJLI-BKUYFWCQSA-N	338.411	2.237	50	40	EEGB	
CCCCc1n[nH]c2c1[C@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2	8721232	HGEHORIKNDTKEH-IBGZPJMESA-N	349.394	2.385	50	40	EEGB	
O=C(NNC(=O)N1CCC[C@H]1c1ccncc1)c1ccc(F)cc1	50096511	LPQOLFYQXOKXQD-HNNXBMFYSA-N	328.347	2.412	50	40	EEGB	
Cc1ccc(COc2ccc(/C=C/C(=O)NNC(N)=S)cc2)cc1	62715070	XOCYEMTUEQAUEF-DHZHZOJOSA-N	341.436	2.452	50	40	EEGB	
O=C(CC(=O)N/N=C/c1ccccc1F)NCCc1ccccc1	59516030	QZNNLWAKKSVLHS-FYJGNVAPSA-N	327.359	2.025	50	40	EEGB	
Cn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C(F)(F)F	253394457	BASBCLYVUSSPEU-NSHDSACASA-N	338.289	2.254	50	40	EEGB	
COc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	218757	KVEWGZDGUROXGG-VCHYOVAHSA-N	328.328	2.166	50	40	EEGB	
Cn1cc(/C=C/C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cn1	52551289	GOXWMBQAIBPSDO-BQYQJAHWSA-N	344.440	2.225	50	40	EEGB