smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc2ccccc2cc1O	5171689	BUSPUJSAHCFNLT-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)cc1	58900759	HOQGHCZLACHHRZ-JVWXNFGLSA-N	383.451	4.676	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OC(C)C	5644176	GLOXEIDDVDCGRF-RIYZIHGNSA-N	388.826	4.821	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	13586155	BBHMRNHQORCWEC-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1O	15225923	JJSOPCWIELLEKM-YHYXMXQVSA-N	397.645	4.907	50	40	GJGB	
FC(F)(F)C(F)([C@H]1CCCC[C@@H]1I)C(F)(F)F	63148601	MPDWEHWICQEPCD-WDSKDSINSA-N	378.069	4.813	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	408804787	ZKVNAOVRMAEXFT-KPKJPENVSA-N	391.652	4.662	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OC	408882207	NZNDZFADRQKNDH-NTUHNPAUSA-N	391.254	4.865	50	40	GJGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1cccc(Br)c1	409100042	UMDDEBMZMNMOJJ-PDGQHHTCSA-N	383.289	4.658	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	409238114	CCTUBAMBVBYVOH-RQNDZEIBSA-N	399.288	4.632	50	40	GJGB	
CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	409374460	QDAZEFBQVHDROT-JYRVWZFOSA-N	398.260	4.797	50	40	GJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1	1103487	WMBTUYVRUUMMIA-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N3C2)cc1	4922475	CLEXLPQILGMHFV-HXUWFJFHSA-N	389.524	4.777	50	40	GJGB	
CCC(CC)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	5444815	FCEQEXHXDCPBDZ-UHFFFAOYSA-N	385.467	4.906	50	40	GJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1	5903842	VOZRSTBCAAJTJQ-BUVRLJJBSA-N	389.455	4.593	50	40	GJGB	
Cc1ccc(OCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1	6030166	JJVDWHIPBRBCKS-JJIBRWJFSA-N	389.455	4.608	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1	6414371	NMGOKDLXGGMOCN-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)cc1	8812198	OBWUIBITGRAMJG-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)cc2)cc1	14134467	YXYSEOKMAFUDAH-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C	100868308	AVERYTZIQJHZAZ-MORSLUCNSA-N	398.728	4.746	50	40	GJGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408727734	GGUGRCFYWWYRNZ-ROTLSHHCSA-N	393.849	4.763	50	40	GJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	408802859	IIJBOSJSOGHGJL-CXDFQFJYSA-N	389.474	4.959	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)cc1	409186973	KJNQBSDRLAFJDU-HKWRFOASSA-N	391.515	4.849	50	40	GJGB	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1	3225211	ZIXBIJUOPBMYBH-CPNJWEJPSA-N	382.891	4.988	50	40	GJGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OC)c3)n2)cc1	6355324	SJDOGYBOIJSWGM-YBEGLDIGSA-N	378.453	4.987	50	40	GJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1C(F)(F)F	6884418	QKRMZGXIJCTZCN-GZIVZEMBSA-N	391.176	4.541	50	40	GJGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	13800847	UVEIYQDSFCZRRN-DHDCSXOGSA-N	384.266	4.741	50	40	GJGB	
Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)[nH]c2c1C(=O)CCC2	29488442	DVWQGBLYVBRBCI-UHFFFAOYSA-N	386.666	4.559	50	40	GJGB	
CCCCCCCCCC/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	100028272	QVMWOFLIXUZIQM-YBFXNURJSA-N	378.429	4.749	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)o1	408807175	GLLANRUGXZIWMK-WABBKDCASA-N	393.443	4.765	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	2286951	SMMGZXSWSLHAAP-OEAKJJBVSA-N	391.427	4.916	50	40	GJGB	
O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl	2310244	SEXWSTXXUHDFPM-XCPVHJTNSA-N	384.844	4.712	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	408545200	ZVAXXEDZRYGXLR-ODLFYWEKSA-N	387.395	4.765	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c(F)c1)c1ccccc1	409232438	HTMIWCVHXJNZGD-PNWWAVQQSA-N	377.463	4.600	50	40	GJGB	
COc1ccc(/C=C/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1	2561812	KAMZFMPRIKIWSE-CYTILCLQSA-N	394.279	4.897	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1	211253178	MSIKEHIJTTVYHA-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
Br[C@H]1[C@H]2CC[C@H](C2)[C@@H]1S[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br	217402186	SSHGJJMUKDEIMS-WBRCCVPBSA-N	380.189	4.844	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C	223529463	IDOMCCLNJSAKFR-WTJYETQFSA-N	379.504	4.571	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccn1-c1ccc(O)cc1	4710880	GSQBDHGKNZCPRP-RVDMUPIBSA-N	377.831	4.690	50	40	GJGB	
CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	19880029	ZHVZBLSJPIRWLO-INIZCTEOSA-N	376.909	4.741	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c1	83327521	HNTOMJPNWVRUSI-OYKKKHCWSA-N	378.859	4.991	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408531148	NJKWJNBRBFCIHW-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408813281	MTHVLAYCWXSXDT-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccccc1Br	409010313	BZLBPDHZTWMQEP-SRZZPIQSSA-N	387.208	4.612	50	40	GJGB	
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)CCl	2142977	GXBHXFNCSXQXTL-UHFFFAOYSA-N	393.770	4.523	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1	6357670	JYJLRPKYYVQMCH-DTVDJLOLSA-N	376.456	4.790	50	40	GJGB	
O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)c1ccncc1	408876313	KSTTYUNELYIOJG-QQXSKIMKSA-N	381.435	4.578	50	40	GJGB	
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)NC1CCCCC1	1098410	HPADJOMAEDCGMG-FYWRMAATSA-N	398.304	4.596	50	40	GJGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Br)c1	5739255	RZAAILSDRGTJOJ-CYGNYLSHSA-N	396.288	4.553	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1O	15225932	HXJLBFLZRYZMQB-UNOMPAQXSA-N	376.456	4.682	50	40	GJGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1C	100148509	QUJSPYQZPOKSAM-YVLHZVERSA-N	382.876	4.940	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)ccc1O	106577041	OSRDGGSTECZLFR-FBHDLOMBSA-N	388.876	4.731	50	40	GJGB	
O=C(N/N=C/c1ccco1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408728285	JIIMAYUVLSTXFO-OPEKNORGSA-N	399.372	4.583	50	40	GJGB	
CC[C@@H](C(=O)O)c1ccc([C@@H](CCl)CNC(=O)OCc2ccccc2)cc1	2362803797	LYCHIJZDSRKHNR-RBUKOAKNSA-N	389.879	4.514	50	40	GJGB	
O=C(Cl)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1	2534308	ZDQTXQJERRXULI-UHFFFAOYSA-N	375.737	4.947	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1	5387297	WLPODNUCECUFHZ-SFQUDFHCSA-N	387.443	4.834	50	40	GJGB	
Cc1ccccc1OCCOC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	12905763	VASFPGMODCNNRC-FYJGNVAPSA-N	380.488	4.599	50	40	GJGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1	63412655	AAQZZUKURZFMQI-MHWRWJLKSA-N	385.452	4.668	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccnc1)[C@@H](C)CC(C)(C)N2C(C)C	223591657	NJUAAPRWKCKQTC-YSGZUTGPSA-N	378.520	4.655	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1Cl	408587710	GSDNJQKSEIVHOM-ZVHZXABRSA-N	379.891	4.749	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408792857	LUGAQIMIHBLSKB-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)c1	408997593	RYWQOJCZKILCLC-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1	409245488	UOEJJGDYDYNCBX-QAIWHXNASA-N	384.435	4.934	50	40	GJGB	
Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1	900720	PODLPHBJLBFJHW-IBGZPJMESA-N	398.853	4.963	50	40	GJGB	
N#CC1=C(N)OC(c2cccnc2)=C(c2nc3ccccc3o2)[C@@H]1c1ccccc1	4513816	DQCRFRWARUCAHW-HXUWFJFHSA-N	392.418	4.599	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccccc1	4723477	NLYWAVIBQPRHNL-GXDHUFHOSA-N	392.798	4.844	50	40	GJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21	208439282	JKMZVYIRGLGIJQ-CFRMEGHHSA-N	397.906	4.501	50	40	GJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1OC(C)C	211523757	QZCAORPOUFPWPV-WJDWOHSUSA-N	384.863	4.990	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408746178	XZQOYLWZJJXZRX-GDNBJRDFSA-N	385.261	4.702	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1	2773772	KLZQDCRMBTUGTP-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	4819637	RRSSTBDVLJIRRS-ZHZULCJRSA-N	385.467	4.908	50	40	GJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)c1nc2ccccc2[nH]1	5827016	VBAIGMJRSNMRIH-YRNVUSSQSA-N	377.297	4.830	50	40	GJGB	
CC(C)c1ccc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1	20518437	YNMVLODCFQMDAI-IBGZPJMESA-N	393.512	4.618	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	59410759	OZPLGWJAWCXMDO-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(O)cc1)[C@H](C)CC(C)(C)N2C(C)C	223588910	GXSJGHCZAFPAMH-NFXIUMSZSA-N	393.531	4.965	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C	408591991	WXXGHBQVZLXTBO-FSJBWODESA-N	381.863	4.525	50	40	GJGB	
CC(C)n1cc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)c2ccccc21	409175429	RJOVPPUYJSVDFT-AFUMVMLFSA-N	389.499	4.630	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	6043989	LGWRNBDREFWHII-FOKLQQMPSA-N	394.277	4.805	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CSc1cc(C)c2ccccc2n1	57481177	JQTYHTSKIGZGFS-FMCGGJTJSA-N	388.496	4.575	50	40	GJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408527897	GRHLWTNFVBCKAY-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccccc2)c1	408802930	JHHLGPOPZLUGEU-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)c1	408859467	XUKHTQZEMYJUDO-CYVLTUHYSA-N	384.483	4.706	50	40	GJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	409145366	OAJFCEGBNMQDEA-YDZHTSKRSA-N	382.847	4.610	50	40	GJGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(F)cc1	8812295	UMBYZCOMIOVDAR-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	59501735	UVTNUSFJBDSKOR-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12	408802860	IIJBOSJSOGHGJL-HUCUOGIVSA-N	389.474	4.959	50	40	GJGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408848852	WNFBORRMHIDZSC-MTJSOVHGSA-N	399.244	4.524	50	40	GJGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1	408883593	ROPLCNSBMHIDSS-XDJHFCHBSA-N	392.455	4.890	50	40	GJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408997172	LMBSWCMEYXXUMT-RVDMUPIBSA-N	398.850	4.640	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1F	3292522	ZKUTUQGRBUSQEL-YDZHTSKRSA-N	390.443	4.504	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1Br	33339772	PPQLKMJFNXEUAA-WQLSENKSSA-N	391.652	4.657	50	40	GJGB	
Cc1ccc(C(=O)/N=C2/C(C(C)C)=C(Cl)C(=O)[C@@](C)(Cl)[C@@H]2Cl)cc1	101181993	ABIPCUBDUAJZSG-ILYZSABOSA-N	386.706	4.913	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC	409240720	HOXQOQXRJYYBPX-JQFNYASXSA-N	398.890	4.922	50	40	GJGB	
Cc1ccc(C)c2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc12	876520	CIQVTXIJMKSNCP-NRFANRHFSA-N	393.446	4.516	50	40	GJGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	7208486	NTXCNXRSVACLJM-GXDHUFHOSA-N	384.775	4.677	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	20248317	NEJKGPQKPZNVDV-KGENOOAVSA-N	376.909	4.761	50	40	GJGB	
O=C(CCc1ccccc1O)N/N=C/c1cc(-c2ccccc2)sc1Cl	20530266	DUAWTZPEXNJZCA-LPYMAVHISA-N	384.888	4.857	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1	408793438	OQSZNWFNRRWFAC-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	4545140	IZJYDRUAIPHZNY-SRZZPIQSSA-N	399.859	4.644	50	40	GJGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1	4599371	JLIDMTGZRKECCC-UHFFFAOYSA-N	377.510	4.537	50	40	GJGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(Cl)cc4)[nH]c(=O)c23)C1	4865337	ONZHGSQTDGPEIT-GJSJWPQCSA-N	381.888	4.827	50	40	GJGB	
O=C(N/N=C\c1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccccc2)cc1	15934196	OKBOHEHVPDJEDR-KALUYTGESA-N	390.311	4.813	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(C)=O)c3)n2)cc1	100860107	VZLJUVOULQDFJI-SFQUDFHCSA-N	375.453	4.998	50	40	GJGB	
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)CBr	199829776	AKEPNXLARHMRFZ-UHFFFAOYSA-N	382.176	4.630	50	40	GJGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccccc1	2201260	ASOCCOSISJFHQL-KRWDZBQOSA-N	381.888	4.559	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC(F)F	3322969	SHRIAYVUBUONJT-CXUHLZMHSA-N	386.398	4.768	50	40	GJGB	
O=C(NCCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl	4277496	QIZNMCPJGDCXNH-IAGOWNOFSA-N	382.718	4.759	50	40	GJGB	
O=C(c1ccc(Cl)cc1)[C@H](CCCl)n1nc(-c2cccs2)ccc1=O	4986593	PAAFXJQASGHWLU-HNNXBMFYSA-N	393.295	4.678	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccc1Br	20760200	DHPLROOIPFRGRT-SRZZPIQSSA-N	387.208	4.612	50	40	GJGB	
N#C/C(=C\Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	100406415	XJCLVGZUDBFXAW-XNTDXEJSSA-N	386.782	4.610	50	40	GJGB	
C[C@@H](Sc1nc2ccccc2o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104733224	XGKGTKOOSQRELM-ZJUCDATASA-N	379.466	4.830	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	108132603	FZBOCRSEBYABBV-NBVRZTHBSA-N	394.471	4.906	50	40	GJGB	
COC(=O)Cn1cc(/C=C(/C#N)c2cccc(Br)c2)c2ccccc21	408777184	WLJBJNDWGDULOJ-DHDCSXOGSA-N	395.256	4.641	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Br)c1	408960050	INZVKSUVPMBLQK-VBKFSLOCSA-N	396.288	4.595	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OCC)cc1OC	2670463	RSIFMRTZQKUTFO-NBVRZTHBSA-N	394.471	4.818	50	40	GJGB	
O=C(NN=c1c2ccccc2oc2ccccc12)c1cc2ccccc2cc1O	4925100	GGTDHRYBNYAEMU-UHFFFAOYSA-N	380.403	4.691	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	6945514	ZCLQEKQRGJYGFG-CPNJWEJPSA-N	376.456	4.813	50	40	GJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(C(F)(F)F)c1	14017296	HGNPZGXDYKVSKY-GZIVZEMBSA-N	391.176	4.541	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)c1	17185994	YNQJNEWUJGHSCE-RAXLEYEMSA-N	396.403	4.843	50	40	GJGB	
O=C(N/N=C\c1c[nH]c2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1	19938663	HHLPSPFZUGDXCY-NWUVQHAMSA-N	379.463	4.624	50	40	GJGB	
COc1cccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)C(C)C)c1	40139960	QSPMCPLQTSHCQD-NDENLUEZSA-N	385.467	4.739	50	40	GJGB	
FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528848	DSJZTSOELAKZOO-UWTATZPHSA-N	391.974	4.575	50	40	GJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226334755	TZPJPHFLNNSFOM-XBXARRHUSA-N	396.624	4.715	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Br	408776007	MGDICYIOJGSODQ-LCYFTJDESA-N	389.224	4.533	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(Cl)c1	4815554	MQJKULVUIFQILL-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1	20133094	HDSYWMMRNPQAGC-CYBMUJFWSA-N	396.354	4.789	50	40	GJGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	40864967	GGSJAAVKKZEVCX-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	408956880	YYQYBWXWPAWCKV-HKWRFOASSA-N	394.478	4.533	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=O)N1	409367458	AFMJAZFBTSEZSM-LJQANCHMSA-N	379.435	4.582	50	40	GJGB	
N#CC(C#N)=C(O)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1	1588782	KETVZXVGPMSBDX-CAOOACKPSA-N	384.222	4.624	50	40	GJGB	
CCCOc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	2070851	DXENTUHZBGHORE-NRFANRHFSA-N	380.488	4.612	50	40	GJGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1	5023538	CVZZGDVIXOEDQR-UVTDQMKNSA-N	380.860	4.539	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCC1	59281401	YZLPDCBIOPJEGY-AQTBWJFISA-N	380.875	4.885	50	40	GJGB	
Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1	96129790	IICZKIMBLOMLNG-HEMYWOPUSA-N	381.435	4.669	50	40	GJGB	
CCOc1cc(Cl)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	408848594	RUPJQLNFKXIBPF-UUYOSTAYSA-N	386.835	4.648	50	40	GJGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409213349	SSEVJGUSYVKEGA-FOWTUZBSSA-N	385.389	4.851	50	40	GJGB	
COc1cccc(S[C@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)c1	5722767	MZUVRINKHHALQB-QGZVFWFLSA-N	390.508	4.745	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1O	33380654	MYUGXMZGCGSMSF-XGICHPGQSA-N	377.227	4.562	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)c1	223171483	NXGJXLNUAOTHIB-MOSHPQCFSA-N	385.467	4.957	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59335196	ZMWNQPHJLHPBRT-GDNBJRDFSA-N	385.261	4.702	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	408880247	FPMQKPJZFRQSIY-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl	409253019	YKEMPUZQCDYMDT-AYCSXLNKSA-N	399.277	4.790	50	40	GJGB	
Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	6347083	RCSRLUGILRPPOU-JVWAILMASA-N	395.462	4.765	50	40	GJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	13943885	GNDZLFKRWBELTI-IZZDOVSWSA-N	395.724	4.813	50	40	GJGB	
C[C@H]1CCc2sc(C(=O)N/N=C/C=C3/N(C)c4ccccc4C3(C)C)cc2C1	33045832	TVLWVWBOZUAGEL-FEEYSDBXSA-N	393.556	4.900	50	40	GJGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1	226341742	IUWYQGINBZWCFP-ONEGZZNKSA-N	387.060	4.855	50	40	GJGB	
CC(C)N1c2ccc(/C=N/NC(=O)Cc3ccccc3)cc2[C@H](C)CC1(C)C	260569591	REWAASSNXCNCDE-OAKZWBAKSA-N	377.532	4.880	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)cc1C	408848351	UFFJLHPPXHFXPR-CYVLTUHYSA-N	384.483	4.706	50	40	GJGB	
CCn1c2ccccc2c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc21	664115	JPWPMACBJYAWMQ-QFIPXVFZSA-N	383.451	4.629	50	40	GJGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C#N)cc1	33535891	NWYARBAAYCNKIH-SVIHDTKBSA-N	375.472	4.703	50	40	GJGB	
O=C(N/N=C\C(Br)=C\c1ccccc1)c1ccccc1-n1cccc1	71335769	MEKPVXHTMNZESN-JXUJGAQVSA-N	394.272	4.629	50	40	GJGB	
COC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	2248906	SXRBATFGAUNDNA-ZVBGSRNCSA-N	376.243	4.686	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(OCC)c1	2774148	GSGUFKMASQWORO-BOPFTXTBSA-N	385.847	4.788	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	206228931	SGVKNLFZSPEWFR-NTCAYCPXSA-N	385.261	4.784	50	40	GJGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	409065201	ICEXPBZPBFQPJG-XMHGGMMESA-N	383.451	4.766	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1	711303	VPFYVAQQBCLICO-NRFANRHFSA-N	386.451	4.930	50	40	GJGB	
N#Cc1c(NC(=O)CCl)nc2sc3c(c2c1-c1ccccc1)CCCC3	873035	QLVODOITMZNOFH-UHFFFAOYSA-N	381.888	4.891	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(NC(C)=O)cc3)n2)c1	4063788	AAZPEQTVNFYUEB-FOWTUZBSSA-N	390.468	4.754	50	40	GJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	4149420	CHLMJWNVIMUBQP-JLHYYAGUSA-N	386.367	4.804	50	40	GJGB	
CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)C1=O	5863209	YCICKHXNFZKYGQ-GZTJUZNOSA-N	394.858	4.911	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1O	14134725	ILNDFSJTWXFDBN-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(Br)c(C)s1	20195542	KBFVDKOAXFVDIJ-XDHOZWIPSA-N	379.323	4.519	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1	36159477	FBBXGLDMPAFMDA-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1c(Cl)nc2ccccn12	44838360	CRGNKSSFAARTGI-UHFFFAOYSA-N	390.057	4.705	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408737146	LFOCNAMUUYDHLF-LCYFTJDESA-N	390.222	4.683	50	40	GJGB	
CN(NC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl	3125340	WLHXSEQUXQCYKL-UHFFFAOYSA-N	379.169	4.580	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC	6537726	MANYWODXTWEMTJ-NTEUORMPSA-N	390.361	4.658	50	40	GJGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)c1C	96669476	BROCDSCUORZXDP-ZROIWOOFSA-N	390.361	4.617	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2F)o1	408600915	HBVWBIRWETXRRY-JLHYYAGUSA-N	380.350	4.779	50	40	GJGB	
C/C(=N/NC(=O)COc1ccc(Br)c2ccccc12)c1ccccc1	903803	RWOXMKNCELUWCY-HMAPJEAMSA-N	397.272	4.522	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(Cl)c1	2319063	UQNWQXQTIXMKAX-SSDVNMTOSA-N	387.270	4.560	50	40	GJGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	4310047	JHWQTXISCUEKJB-MHWRWJLKSA-N	391.408	4.708	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC	36137296	UROKZENYCBJYBM-FRTJCDKSSA-N	394.515	4.645	50	40	GJGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)Cc1cn2ccsc2n1	97991643	YWNMIPSADHJBGF-JEJAVHKGSA-N	380.517	4.704	50	40	GJGB	
CCOc1ccc(CC(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1	408711808	LOUWIWOBYNGVAF-PCLIKHOPSA-N	390.483	4.719	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1	408721990	BZNDONPFTQWTJH-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccccc3)c3ccccc32)cc1	409381116	FEBCQCUHTGIGBH-JFLMPSFJSA-N	396.494	4.560	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1	5526679	DQDAYSHOAZIUOT-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	14407664	WKTKJJLJVRUYDL-LPYMAVHISA-N	397.818	4.591	50	40	GJGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C2/CC[C@H]3CCCC[C@@H]3C2)c1Cl	36512048	YFOWJEONDAWTBW-CRRHDYDXSA-N	389.714	4.700	50	40	GJGB	
CC(=O)Oc1cc(OCCCCl)cc2oc(C)c(-c3ccccc3)c(=O)c12	2559186	AWQDDHMOSJHIHS-UHFFFAOYSA-N	386.831	4.701	50	40	GJGB	
N#Cc1c(N/C=C(/C=O)c2nc3cc(Cl)ccc3o2)sc2c1CCCC2	5582971	VIVMZUPYHDTLDK-LUAWRHEFSA-N	383.860	4.945	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Br	6410948	RUJDTJQWMKNYSD-UKTHLTGXSA-N	375.653	4.957	50	40	GJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c1	14608547	QPENLBDHHGGQSM-UNOMPAQXSA-N	396.450	4.821	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OC	409068164	FWZFTJNWGZWSKJ-DEDYPNTBSA-N	390.483	4.985	50	40	GJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccccc1	836099	SYCVVGUTFUBQMP-NRFANRHFSA-N	390.446	4.757	50	40	GJGB	
CC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccco1	4619611	YYOVFYITLSJKIT-NZIVSPSTSA-N	382.423	4.709	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2C)o1	5520757	CKSWOKSTBVFNDN-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccc(F)cc1	28215816	YKXDIIRNPWINIJ-ZMOGYAJESA-N	395.503	4.617	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)cc1)c1cc2ccccc2o1	83315677	GTUMYBHTVYGQIC-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1cccc(Br)c1	409140733	IFNPQUWGBHBIBO-XSFVSMFZSA-N	391.334	4.780	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)c(C)c1	20194927	FZARNIHRUDXPSN-CVKSISIWSA-N	390.458	4.714	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	107655625	HOJIRAIAFYCAMU-SRZZPIQSSA-N	397.456	4.608	50	40	GJGB	
CCCCCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3089817	ULDBPOYOIVAXHR-CJLVFECKSA-N	383.448	4.708	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(F)cc1	12362364	UUCOSUSYVVLISH-YDZHTSKRSA-N	399.263	4.824	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(O)c(Cl)c1	105239752	GTCKEAWNLTYCDP-LSHDLFTRSA-N	389.238	4.625	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1c(Cl)cccc1Cl	408887926	UVVKNYOPFXNZBV-ONNFQVAWSA-N	395.629	4.921	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	5431655	YTBRRJLCWXHKDU-CNRHGSOZSA-N	376.909	4.760	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1O	33340141	DUIRZQJGSXKOEY-FBHDLOMBSA-N	375.211	4.723	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@H](C)CC1(C)C	208320562	GFQGVPASSSCWFA-HUSFYUSLSA-N	379.504	4.577	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C	408590639	QBNLFKBQUDDJBD-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Nc1ccccc1	1444599	FTPCZLMREVCSOL-RGVLZGJSSA-N	384.779	4.664	50	40	GJGB	
O=C(/C=C/c1cc(Br)ccc1F)c1ccc(O)c(CCCl)c1	12908692	CYOBZGGEMNFNJW-ORCRQEGFSA-N	383.644	4.971	50	40	GJGB	
Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C(\C#N)C(=O)OC(C)C	22345890	PHVRVBMODLJRCB-WOJGMQOQSA-N	393.874	4.905	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)cc1	59473010	JZYWPYNSKKBMFG-VURRPDKYSA-N	397.725	4.733	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(F)cc1	660457	LSCPHLMZAARCQT-PTZPRWATSA-N	395.503	4.864	50	40	GJGB	
O=C1c2ccccc2OC[C@]1(Br)[C@@H](Br)c1ccccc1	3138095	BPVJJSBPBXRROZ-HOCLYGCPSA-N	396.078	4.532	50	40	GJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)o1	19799237	ZZOVNFBWTSQITR-GXDHUFHOSA-N	391.339	4.836	50	40	GJGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1cccc2ccccc12	40139607	DDCFCTOTNZDYHS-FOWTUZBSSA-N	382.448	4.904	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1	59473256	RKCYDHLVZISBEF-BUVRLJJBSA-N	390.508	4.893	50	40	GJGB	
CC(C)N1c2ccc(/C=N/NC(=O)Cc3ccccc3)cc2[C@@H](C)CC1(C)C	223544545	REWAASSNXCNCDE-LEBHPONQSA-N	377.532	4.880	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(OC)c2)c1C	408959995	HWBFQSUWKMLPQL-MFKUBSTISA-N	389.499	4.737	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c1O[C@@H](C)C(=O)O	409240506	QDUQWSKABYPSSF-ZENNRRHLSA-N	391.345	4.630	50	40	GJGB	
CCn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C(C)C)c43)ccc21	804143	LLLYXAZNQJHKQH-HXUWFJFHSA-N	397.482	4.879	50	40	GJGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1	870396	FDOMZVCTFBFASS-GOSISDBHSA-N	393.874	4.648	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1	4592650	JALFDPXWHNOZGQ-GJABGHMTSA-N	391.471	4.811	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccccc1Cl	5024489	YUDGOBQWMKLQFE-JAIQZWGSSA-N	375.906	4.582	50	40	GJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](C2CCCCC2)C(C#N)=C(N)O3)cc1	5883875	KHNIJBCQSOXJTQ-SFHVURJKSA-N	378.476	4.616	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1O	7159675	DNIHEXZUPOPFKV-NTUHNPAUSA-N	391.254	4.952	50	40	GJGB	
CC1=C(C#N)[C@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)O)=C(C)N1	68606483	ANPHJQQRAHPJLZ-QHCPKHFHSA-N	381.435	4.745	50	40	GJGB	biogenic
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CCc2ccccc2)o1	408958001	XAJXBGCUCYJGHO-OEAKJJBVSA-N	382.847	4.692	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408966933	NZTGQJPBRHFOLQ-ZGUVFNMESA-N	394.393	4.655	50	40	GJGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1	409192964	HPISPHYCNNGHNT-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409235930	DEPNTYNRVSXKSM-QFEZKATASA-N	377.463	4.543	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc(F)c1	3211947	KGFVZVWIIGYMRB-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1	4106963	QZZDFMMTIXMDIY-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
Cc1ccc(/C(=N/NC(=O)c2cc3ccccc3n2C)c2ccccc2)c(C)c1	4551156	XZGRZLGVXWWCLH-SHHOIMCASA-N	381.479	4.978	50	40	GJGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1	20132942	BBINICCBXKBAFV-QMMMGPOBSA-N	379.682	4.981	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1	59335518	SKCKVRFMPIXPIA-BOPFTXTBSA-N	386.407	4.807	50	40	GJGB	
O=Cc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O	103256005	QMAQFBXPNMLFCN-UHFFFAOYSA-O	397.434	4.699	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208249475	ILWDKQCODCDDNN-KIQCMGJBSA-N	399.922	4.835	50	40	GJGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NC1CCCCC1	408786789	WCORAHXQCSQWCY-OWBHPGMISA-N	392.484	4.663	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408803036	KOKOWVWWGBGBDE-LFIBNONCSA-N	397.272	4.868	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1	409080459	DKHVVVHLSZUHMM-SQFISAMPSA-N	376.437	4.985	50	40	GJGB	
Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	575414535	JOQZEKHGISRPLP-IAGOWNOFSA-N	389.590	4.832	50	40	GJGB	
O=C1Nc2ccccc2C=N[C@@H]2CCCC[C@H]2N=Cc2ccccc2NC(=O)O1	1547138089	VMNJSZSVGHUIHB-WOJBJXKFSA-N	390.443	4.630	50	40	GJGB	biogenic
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Cl	3236797	VTRYFJVZVFCJAF-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)c1ccccc1	28216642	OSTUIIWJWAWPFW-JKJLQIMHSA-N	389.499	4.549	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)cc1	33454224	QXKWRGREEKXGBS-AQTBWJFISA-N	393.462	4.679	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)cc1	59335052	ZKRHSIJMAAOFLI-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2ccccc2F)cc1I	107568560	CXOZBQFMHJPRMH-WQLSENKSSA-N	379.172	4.503	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c1	223543811	LOEMFGRAQRSHTO-SCELWYEFSA-N	393.531	4.960	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1	408588878	KJABYFXBXINKCW-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	408727355	PUJLRBWXWVZQPG-QQHUYRGFSA-N	389.952	4.817	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(O)c1	408798258	VQLLNIUFHLAVPK-MHWRWJLKSA-N	383.879	4.746	50	40	GJGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O	409350178	UIYGMRDODLQWJZ-MLPAPPSSSA-N	378.211	4.530	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccccc1Cl	657463	JNABNAPDFPKOKI-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccc(Br)cc1	692225	UDXFPBIMYWJEPL-SFHVURJKSA-N	393.240	4.526	50	40	GJGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H]1CCCC[C@@H]1I	2578064	OPDPCHBOZHWKOZ-WDSKDSINSA-N	378.069	4.813	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	6683610	GYUYZPXDGVNCOL-OEAKJJBVSA-N	386.480	4.673	50	40	GJGB	
C/C(Cc1ccccc1)=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1	9553828	JJWZVEMWJCHQTG-LHLOQNFPSA-N	399.494	4.866	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)cc1	59473681	BQMCDIXIRVBNME-KGENOOAVSA-N	376.909	4.512	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	408726161	QLYNFYQIOJSEQF-UYRXBGFRSA-N	376.456	4.813	50	40	GJGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(Br)cc1	408779603	GGGRSIWCGAIPES-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(C)C	408793495	PFQJOWJMWIDFEN-CXUHLZMHSA-N	379.416	4.581	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1cccc(C)c1	409367807	GWFMGABCKZGCPL-KGENOOAVSA-N	390.483	4.502	50	40	GJGB	
CCOC(=O)/C(C#N)=C(\Nc1ccccc1)S/C=C/C(=O)c1ccc(C)cc1	35586095	HRTSSJWIXYDECV-SWHSDNCOSA-N	392.480	4.835	50	40	GJGB	
COc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)c(OC)c1OC	41120658	QKSFJIWYYYDLIG-JLHYYAGUSA-N	395.440	4.517	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccccc1Cl	408746583	FLBYKWKIRYHGAP-MOSHPQCFSA-N	389.886	4.971	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1	408847928	WYJWOMROECDIKT-BOPFTXTBSA-N	386.407	4.807	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408870406	VKVSLQSYOVMKBB-OVCLIPMQSA-N	385.261	4.702	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	408955268	WRLRTLLKSUTWGI-QINSGFPZSA-N	377.831	4.685	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccccc1-n1cccc1	408988596	DYFODYPCCXPEMF-XQNSMLJCSA-N	387.464	4.985	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OC	409076032	WTEAWWVOPOOXRY-CPNJWEJPSA-N	376.456	4.677	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	409200035	FRROKTAWMNFSFN-SSDVNMTOSA-N	388.851	4.982	50	40	GJGB	
Cc1cc(-c2cc(C)c(NC(=O)CCl)c(C)c2)cc(C)c1NC(=O)CCl	669368765	IHLCAMLYQNSJPG-UHFFFAOYSA-N	393.314	4.942	50	40	GJGB	
Cc1cc(OCC(=O)NN=C2CCCCC2)c(C(C)C)cc1Br	4863440	ULRVSGOTHSDNTL-UHFFFAOYSA-N	381.314	4.696	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccco1	6221987	QFBHAEKGSNDXNT-SSDVNMTOSA-N	389.238	4.929	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CC1	59266553	NNDRTRCNWJWYOB-OQLLNIDSSA-N	387.266	4.758	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C	100556782	YFMLVCBHJHIZCO-YBEGLDIGSA-N	398.875	4.640	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1nc2ccccc2[nH]1	409069506	LCIRWMVACXTQHP-CPNJWEJPSA-N	395.418	4.904	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](n2cnc3ccccc32)C1	575617039	MSQJHJUSAPBFPE-HZPDHXFCSA-N	375.563	4.524	50	40	GJGB	
C[C@H](CN(C)C)C(C(=O)[C@@H](C)Br)(c1ccccc1)c1ccccc1	1593257	FQENEZQJHZAKPK-IAGOWNOFSA-N	388.349	4.523	50	40	GJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	5070442	YJETTXUORAAXSM-FMIVXFBMSA-N	399.422	4.529	50	40	GJGB	
Cc1ccccc1C(=O)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	5446406	ZZCWGUJOGPBGBF-XDJHFCHBSA-N	398.466	4.596	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1C	6966770	HLFTUUMEJIKBAB-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408873440	RGXQGEWKSROUJR-VIZOYTHASA-N	385.261	4.620	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)Nc1ccccc1	408973406	AQFRYBDNGSWDBL-AFUMVMLFSA-N	386.430	4.984	50	40	GJGB	
Cc1cccc(COc2ccc([C@@H]3NC(=O)NC(C(C)(C)C)=C3C#N)cc2)c1	409370084	KTDBFXFXAMXKKA-FQEVSTJZSA-N	375.472	4.752	50	40	GJGB	
O=C(CCCCl)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1	2203700	YCKGUTDLKIEFOF-UHFFFAOYSA-N	383.787	4.526	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	6960142	RSGRVSMJGRSPJK-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(F)cc1	16449844	NKAHCNXKKXJEHD-DEDYPNTBSA-N	397.409	4.822	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cc(Cl)ccc1Cl	17076895	VSXDBNKYGLATQO-REZTVBANSA-N	376.037	4.503	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1	59335510	IBWOMCOKUQZIHC-ATVHPVEESA-N	386.407	4.807	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(N(C)C)cc1	408743021	YOJHKMBKIDUGDF-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(F)cc1	408854506	GYHFWNZARYKUGZ-CFRMEGHHSA-N	375.403	4.743	50	40	GJGB	
O=C(N/N=C\c1ccc2[nH]c3ccccc3c2c1)c1cc2cc([N+](=O)[O-])ccc2o1	408905141	UGFPQRJUMQKHQP-FMCGGJTJSA-N	398.378	4.739	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	3067304	JAWTZRKWQNPYMS-WSDLNYQXSA-N	395.286	4.945	50	40	GJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1	3193772	ZHQXGDYQECPILI-ZVHZXABRSA-N	382.504	4.635	50	40	GJGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	6892273	VQRYRGPLULTJDN-MOSHPQCFSA-N	388.423	4.798	50	40	GJGB	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	22699160	SJEJIVGQGBKNDA-AEFFLSMTSA-N	392.590	4.578	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1ccc(C(C)(C)C)cc1	33750566	BBOAACHFLJVFFU-MYYYXRDXSA-N	389.499	4.861	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408795704	VYTQHPLBNPFMTJ-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Cl)c1C	409376164	VIGDLYYLWACJFR-UNOMPAQXSA-N	392.890	4.843	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	20248879	MJMHSIKDVYCAFK-KGENOOAVSA-N	376.909	4.512	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OC	59335725	GFRUKSMXSQKOIF-UYRXBGFRSA-N	376.456	4.677	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)cc1	100839809	NMGOKDLXGGMOCN-KAMYIIQDSA-N	378.413	4.703	50	40	GJGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)C2=C(O)CCCC2=N1	102369479	QYQLIKPVYVRRIX-IBGZPJMESA-N	382.485	4.561	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409235791	QQRPFATVQTVRMW-XGHPXPSOSA-N	384.863	4.532	50	40	GJGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)C3CCCC3)cc2)c1	5938343	YTOXMPCTOKTEJM-UHFFFAOYSA-N	394.515	4.649	50	40	GJGB	
CCCCCOc1ccc(OC)cc1/C=N/NC(=O)CSc1ccccc1	6998071	HSIIFNOLOYSKCB-PXLXIMEGSA-N	386.517	4.507	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	59334110	WNJBOJCHUUOVHM-AUWJEWJLSA-N	393.245	4.707	50	40	GJGB	
C[C@H]1CC(C#N)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1	100259270	YCQHXOHHLBIZRM-IBGZPJMESA-N	384.419	4.708	50	40	GJGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccc2ccccc12	408533523	SVIQCVYCICUSIM-VULFUBBASA-N	385.389	4.811	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(F)cc3)c1)C2	408730320	PODUJCSRIXOFOT-LGJNPRDNSA-N	387.458	4.727	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1	408787778	GDRCYSQAXWXZOX-QGOAFFKASA-N	388.398	4.656	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cc(COc2ccc(F)cc2Cl)c(C)s1	2727980	JWPNRQLYDWHOFR-WUXMJOGZSA-N	379.840	4.898	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	16764366	VQUWVFKZJYGMNV-KAMYIIQDSA-N	377.331	4.540	50	40	GJGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/CCCc2ccccc21	33333785	FKMHAVJUFNJDPO-BYSURXLHSA-N	377.271	4.618	50	40	GJGB	
COC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12	55051889	CYTKKMCJBDBQNC-GDNBJRDFSA-N	384.357	4.788	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	59335433	KDFRCEJTUBFZLC-UYRXBGFRSA-N	399.450	4.646	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1	408598596	FGGYTXVCKSFAOW-MFKUBSTISA-N	398.418	4.650	50	40	GJGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(N(C)C)cc1	3184132	GQLHHTLFYUTQRP-HKOYGPOVSA-N	381.520	4.866	50	40	GJGB	
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Cl	5106914	DOLTXVYIBJWDBF-GFCCVEGCSA-N	386.835	4.650	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1c(Cl)cccc1Cl	5409184	ISLOSLXWBQWNLL-LBPRGKRZSA-N	389.267	4.663	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1	33782339	NANNMPKWARWGTP-MOSHPQCFSA-N	398.418	4.509	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408728532	OGCBJNVVJCVINH-XTTRTJGBSA-N	398.271	4.533	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1	1516372	FTIVUKGSIBBTAL-NBVRZTHBSA-N	386.407	4.669	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c(C)c1	6390371	YXMFXGZLQQZITG-HSZRJFAPSA-N	383.495	4.917	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1	107600888	KGNJAQBZEKWSCS-UDWIEESQSA-N	399.450	4.646	50	40	GJGB	
COc1cccc(/C=N\NC(=O)c2ccccc2)c1OCc1ccc(Cl)cc1	409091621	QPABKTUPOGDSOH-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	4063649	REMAOLYXOWQQGB-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C)o1	5415443	QFZWHEKKEMOOOE-HZHRSRAPSA-N	382.847	4.974	50	40	GJGB	
CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	74941529	CMVFMJSJOJDCCT-GWCFXTLKSA-N	383.355	4.883	50	40	GJGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1	409039328	CPJVASXBLRWWGG-CXUHLZMHSA-N	387.266	4.782	50	40	GJGB	
CCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615182	AAOLEUVEWYWZIG-OTYXRUKQSA-N	394.103	4.819	50	40	GJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	3281931	ZRKQQCGECONACR-BRJLIKDPSA-N	377.410	4.565	50	40	GJGB	
CCc1ccc(/C=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1	4700621	ZWHOADCYFFIQMU-LGUFXXKBSA-N	399.494	4.844	50	40	GJGB	
BrC/C(=N/N=C(/CBr)c1ccccc1)c1ccccc1	5493180	OKSVKMYYVXABJN-IKBKFCNISA-N	394.110	4.670	50	40	GJGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1	57476859	LYOJFWVFTXGSLU-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1O	100062997	DHLVQCHJILYPRR-QQXSKIMKSA-N	381.435	4.761	50	40	GJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1	681295	VGCGDSGYUUMQIE-CVKSISIWSA-N	395.418	4.647	50	40	GJGB	
CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	4680558	WOXVORJGIBWTQM-UNRCXTPMSA-N	377.271	4.966	50	40	GJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccccc1Cl	4922930	OPBWYZYBNYIXGU-INIZCTEOSA-N	399.878	4.699	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	7071404	ZQNXMLKEZIYMEW-STCDJXRXSA-N	376.909	4.760	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473726	CFRPMJJSSNKJGQ-BUVRLJJBSA-N	390.508	4.893	50	40	GJGB	
O=C(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl	95696986	HNDCMJCNRXFMQR-DMTCNVIQSA-N	381.861	4.663	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccccc1	209279819	SMTOBVXDNZIOFE-STZFKDTASA-N	386.426	4.628	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	408550558	HZJJMTZJGXOOFG-BKUYFWCQSA-N	385.423	4.649	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3F)cc2)NC(=O)N1	409367910	JONXXNQTGWKSAD-IBGZPJMESA-N	379.435	4.582	50	40	GJGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)N1CCCC1	409373021	VEZVKAMWDITJON-LTGZKZEYSA-N	382.463	4.948	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c2c1	409393659	YWCVQILWSABKSO-UVTDQMKNSA-N	386.367	4.804	50	40	GJGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	629571	QFYPKWZVEZTGLU-SFHVURJKSA-N	397.265	4.706	50	40	GJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1	2435618	HTCFPTPCQFZUCZ-KRWDZBQOSA-N	381.888	4.559	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OC	2801943	ABGNJKULKSGHDB-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cccc(Br)c1	20247961	PGBISRSLJBMOSX-GNUZOCDUSA-N	391.334	4.611	50	40	GJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc([N+](=O)[O-])c1	35352951	HGYCQQZGXZJQSA-YBEGLDIGSA-N	388.339	4.754	50	40	GJGB	
N#C/C(=C/c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	3319517	GIWBFCHXGMRLCM-JXAWBTAJSA-N	384.391	4.723	50	40	GJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccccc1Cl	4922982	ALOUOICPOXTRCA-INIZCTEOSA-N	381.888	4.559	50	40	GJGB	aggregator
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)c(Cl)c1	9046785	IIBIAMFBEFKZKN-HNNXBMFYSA-N	383.238	4.602	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1OCC#N	40140014	KUAVQGPAUJFGHJ-ZSOIEALJSA-N	391.814	4.522	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59297488	NIWISDLOTOGAQR-XDHOZWIPSA-N	399.406	4.719	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@@H](Cl)c2ccccc2)sc2c1CC[C@H](C)C2	3269744	RWMLPPCAXGMLNT-SJCJKPOMSA-N	391.920	4.968	50	40	GJGB	
COc1cccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1	5205796	BPFHTGOIGAAAMQ-ZVHZXABRSA-N	388.492	4.649	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	5309443	UWQJYEZNSBXNTN-LPYMAVHISA-N	390.936	4.902	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	9973334	KAIJPSCEUXEJAZ-PACYTGELSA-N	398.890	4.749	50	40	GJGB	
Cc1ccc2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NCc3ccco3)c2c1	408992311	RQYILJKWEPHWGV-AQTBWJFISA-N	381.435	4.960	50	40	GJGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccccc2)c2ccccc21	409383400	XLNZOTYKOQZVNZ-JFLMPSFJSA-N	396.494	4.560	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	1062728	AASURNDALOOXCO-AQTBWJFISA-N	389.430	4.788	50	40	GJGB	
CCCOc1ccccc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1C	2070024	QVJWFTPLUJMGSQ-BUVRLJJBSA-N	382.504	4.610	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)cc1	4723466	CSLIEHVELIXNDL-KGENOOAVSA-N	391.515	4.842	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1I	5980482	PWLKDRNWBOPGOG-LCYFTJDESA-N	393.199	4.893	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(C)c1	6266512	NTJAEPVXGJVIQY-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br	7164382	YUCAYNUUPNJTMN-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	36047217	YJWMFWKBQXNAIN-WGARJPEWSA-N	399.416	4.806	50	40	GJGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CSc2ccccc2)cc1	59473276	QGUSMFDOSCANHN-HYARGMPZSA-N	391.452	4.651	50	40	GJGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	211404819	WWFMJUKAIGNLPJ-WDZFZDKYSA-N	395.724	4.813	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccncc1)[C@H](C)CC(C)(C)N2C(C)C	223591577	GIOCMLYAFTZVRP-NFXIUMSZSA-N	378.520	4.655	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccs1	5944047	UMBSTTFNIQKXMZ-HZHRSRAPSA-N	396.541	4.601	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3OC)cc2C(C)=CC1(C)C	208525435	YRIOUOQZILQRTI-MFKUBSTISA-N	391.515	4.789	50	40	GJGB	
Cc1cc2c(cc1/C=N\NC(=O)c1ccccc1O)[C@H](C)CC(C)(C)N2C(C)C	223594228	HPDMVLMHRZCQNM-YMKHCOABSA-N	393.531	4.965	50	40	GJGB	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408566255	FKYWGGUVCVXPSH-JYRVWZFOSA-N	396.219	4.541	50	40	GJGB	
COc1ccc(/C=N/NC(=O)[C@@H](c2ccccc2)C2CCCCC2)cc1OC	408723687	ZWCHUPAGKHVEBD-OLCUMFGGSA-N	380.488	4.518	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1	408962586	ZNNWJBDBFOJLQW-CYVLTUHYSA-N	375.472	4.621	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1	409017757	VTGKSWSSXZGCSE-ZVHZXABRSA-N	396.874	4.811	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	409250624	XQVYLXBGBHOCKW-ZHZULCJRSA-N	389.499	4.848	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(C)ccc2nc1C	685550	LKSXKOYJTRPRQC-AFUMVMLFSA-N	383.451	4.777	50	40	GJGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	954197	AYHMEMGTNXXABM-OQLLNIDSSA-N	395.871	4.639	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2)cc1	4176442	YZYGHHQSWMYXBG-HMMYKYKNSA-N	398.466	4.596	50	40	GJGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(c1ccccc1)c1ccccc1	5363171	XJTWSZOCGFALSL-ZXVVBBHZSA-N	399.494	4.648	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)o2)c1	408790026	QJUXMRRESFAPFW-LGMDPLHJSA-N	379.460	4.603	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	948741	HKXBWBCDBFTPQH-HMMYKYKNSA-N	382.419	4.760	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1	1107639	LBSOITCQJQYVGC-WYMPLXKRSA-N	399.853	4.898	50	40	GJGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1	4922891	RLGUZIHSBPHCPL-FQEVSTJZSA-N	389.524	4.777	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1	5071225	OTVLJXFMUYAUBN-LFIBNONCSA-N	379.485	4.845	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2cc3ccccc3[nH]2)c(C(C)C)cc1Cl	5697588	QGGODOLISHLCLB-FOKLQQMPSA-N	383.879	4.782	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1	7168154	TUBTUIXHPUBQSJ-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c(C)c1	20195082	DJLTZHLLGVPYPD-CVKSISIWSA-N	390.458	4.714	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	408949315	AVBCCVTUFLHUEA-SSZFMOIBSA-N	391.858	4.993	50	40	GJGB	
CCOC(=O)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1	2301435	VKKSZVRVMOUJGZ-DEDYPNTBSA-N	378.881	4.591	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccnc1	6244101	GFVQXGPTBDDFRZ-CVKSISIWSA-N	381.435	4.578	50	40	GJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C	33701136	VRWZQLIGYFDXDD-BKUYFWCQSA-N	381.435	4.817	50	40	GJGB	
Cc1ccc(/N=C2/NC(=O)/C(=C/C3=CC[C@H](Br)C=C3)S2)cc1C	256055408	FYFHBRIAIBZMBQ-KWZJRMENSA-N	389.318	4.688	50	40	GJGB	
O=C(N/N=C/c1ccccc1O)c1ccc(OCc2c(F)cccc2Cl)cc1	1406027	WVFQMBVAYBNNRU-WYMPLXKRSA-N	398.821	4.528	50	40	GJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2	2056137	NGYXOPNYNRTWBU-WYMPLXKRSA-N	394.927	4.975	50	40	GJGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cccc(Br)c1	4966346	OIWYMASPSCJWLZ-OAHLLOKOSA-N	383.270	4.882	50	40	GJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	6418630	PJLPOCVQYVXETO-QPEQYQDCSA-N	391.254	4.865	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	6792608	VGJASLTXFOEYDG-BRJLIKDPSA-N	393.384	4.517	50	40	GJGB	
Cc1c(Cl)c(C)c(Br)c(OCC(=O)Cl)c1Br	16249239	TVUCIAZTSRSFLP-UHFFFAOYSA-N	390.886	4.626	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccc3c(c2)OCO3)cc1	17118677	OGRXFAAPJLUEPD-CPWFOMPBSA-N	390.483	4.632	50	40	GJGB	
O=C(N/N=C1/CCc2ccccc21)c1ccccc1OCc1ccccc1Cl	33794410	SZMLGDRGKHOALF-DAFNUICNSA-N	390.870	4.999	50	40	GJGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccccc1	408774706	COOZYISVVZDCPH-OWBHPGMISA-N	386.436	4.853	50	40	GJGB	
Cc1cccc2c(/C=C(/C#N)C(=O)NCc3ccco3)c(-c3ccccc3)[nH]c12	409003314	ZKGOVVLNLDUTAR-AQTBWJFISA-N	381.435	4.960	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1Cl	409013114	MMYVJKCEBJHMNU-MYSNOUKZSA-N	395.286	4.700	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)cc1	409359234	AMVDMJFNFVUZME-WQRHYEAKSA-N	387.391	4.916	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	2708468	QSKHHMSWEOCIGS-GXDHUFHOSA-N	377.331	4.540	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1C(=O)O	2773890	PAAPHYYQOSBXKS-SDNWHVSQSA-N	392.798	4.844	50	40	GJGB	
O=C(Cc1cccs1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	12428688	BTRMEERRRFTSRC-JJFYIABZSA-N	378.375	4.720	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1	33580808	XMTYIFLISLDGEQ-UCQKPKSFSA-N	393.830	4.530	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1	83315177	FKLLHIHBODWUHI-QFEZKATASA-N	396.849	4.751	50	40	GJGB	
CC[C@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(O)=C21	102917674	DLAKKAFRLIIJJZ-LIRRHRJNSA-N	395.528	4.794	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C	208505511	NJWWKGFDHIDUAV-MFKUBSTISA-N	391.515	4.789	50	40	GJGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cccc2ccccc12	408527949	GVUCPUSWGSFELF-WGOQTCKBSA-N	397.478	4.776	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)n1	409377534	IBKGENOOTAIAJX-VCHYOVAHSA-N	378.863	4.808	50	40	GJGB	
CCCCC/C(C)=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	5003102	PIFRFTZTNAXRAH-GVRUPNCLSA-N	379.504	4.620	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC)cc1	6209562	LTPCDEGIRZGVGC-XNTDXEJSSA-N	385.261	4.566	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc(Cl)c1O	6880970	UIHDCUCMRNIWKT-OVCLIPMQSA-N	381.819	4.867	50	40	GJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1Cl	20348345	LROPJJAXRBVKTR-QGZVFWFLSA-N	395.915	4.555	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3[N+](=O)[O-])n2)c1	98085949	YNQJNEWUJGHSCE-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc2ccccc12	108232167	FBQNEJLYXRFLIX-ZXVVBBHZSA-N	394.474	4.616	50	40	GJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	408851549	CRHSHSIFKJYIFV-SSZFMOIBSA-N	390.874	4.742	50	40	GJGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1	1300700	MSDPMAZMHUIQKD-NTCAYCPXSA-N	391.452	4.582	50	40	GJGB	
N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCc1ccccc1	5013316	LXUCUZYXIQNCPR-VBKFSLOCSA-N	385.448	4.780	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	5726710	YTKHKLGPTHVMOB-ZVHZXABRSA-N	382.504	4.760	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	59399063	NYIUCKKAZNQZLB-BOPFTXTBSA-N	385.847	4.788	50	40	GJGB	
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1	101670646	JNTYIGTXKFKPLD-OVCLIPMQSA-N	375.380	4.793	50	40	GJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1ccc(Br)cc1	408851542	LAIOLBQHLLZKMS-QPEQYQDCSA-N	392.636	4.630	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccc3c(c2)OCO3)cc1	4592658	OGRXFAAPJLUEPD-WWZCVNTESA-N	390.483	4.632	50	40	GJGB	
CCOC(=O)c1oc2ccc(CC/C(C)=N/NC(=O)c3ccoc3C)cc2c1C	7782064	RUEDGZPBYLZRDO-YDZHTSKRSA-N	396.443	4.558	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nc2ccccc2s1	33401306	CKAHMPPWKQALEE-VZUCSPMQSA-N	383.410	4.590	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C#N)cc1	38198440	NHGTXTPBINXCJW-YSMPRRRNSA-N	396.475	4.989	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3cccs3)c1)C2	408730450	RAROYRHYRDGVHG-FSJBWODESA-N	375.497	4.649	50	40	GJGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccco1	409138032	YZJFJGWMOYHAJU-GFCCVEGCSA-N	379.268	4.858	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1Br	3232369	NIHKHTMTAJFRDS-CSKARUKUSA-N	379.616	4.787	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	5379976	CRZQMLPAUBAEEB-LSHDLFTRSA-N	395.286	4.526	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	33627020	YWEIVWJXNOTUSQ-GHRIWEEISA-N	380.444	4.515	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1O	59474280	AWDPYOBPPXVMEZ-XQNSMLJCSA-N	376.481	4.839	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408774281	BWTRODKKICSBFL-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
FC(F)(F)c1cc(Cn2ccc(CBr)n2)cc(C(F)(F)F)c1	685937795	RVKXGCZOMOFUJP-UHFFFAOYSA-N	387.121	4.864	50	40	GJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccc(C)s3)cc2)n1	3375891	LMWVSXITGUZDEN-SRZZPIQSSA-N	396.541	4.520	50	40	GJGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccc(I)c3)nc2c1	6998257	CGYSIKGSXIXUPH-JYRVWZFOSA-N	385.208	4.540	50	40	GJGB	
CC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12	58823086	STTJMEFCXPXOEF-WSDLNYQXSA-N	397.272	4.651	50	40	GJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1c(O)ccc2ccccc12	59153450	WHWRYMWTLRCTRZ-SSDVNMTOSA-N	384.888	4.582	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	59417867	ZONXFVLTHQYFDL-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Sc3ccc(C)cc3)o2)c1	107648477	OYUYNKLOGAZBSJ-LPYMAVHISA-N	396.468	4.520	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OC	408755671	SBCADMMLGBSHIH-WJDWOHSUSA-N	397.272	4.732	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(O)cc1	409002917	XHFWSPIQZDVBMO-MYYYXRDXSA-N	383.451	4.717	50	40	GJGB	
CCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615183	AAOLEUVEWYWZIG-LKFCYVNXSA-N	394.103	4.819	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OC)c1	2807637	USONFZCKXMLYAV-LFIBNONCSA-N	383.879	4.740	50	40	GJGB	
Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1	3170458	NQEYVSPAWZUADW-AFUMVMLFSA-N	396.531	4.944	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl	7386352	JTGPCIIKVICWDJ-WTJYETQFSA-N	399.922	4.881	50	40	GJGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1cc(Br)ccc1OC	105407905	ZFRQDMUTYREMTD-VBKFSLOCSA-N	393.325	4.841	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(O)cc1	408799108	XZFGQBHMJMDZOW-XMHGGMMESA-N	393.446	4.941	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C)cc1	408899453	PKKYWOQKVBAIQW-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)n1	408981045	YLDGSEORRHLDGE-DEDYPNTBSA-N	380.451	4.750	50	40	GJGB	
CCOC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)cc1	2303996	VXXAXASCAMNMFI-DEDYPNTBSA-N	378.881	4.591	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	3320426	XUWHBTIPKVGMTR-RELWKKBWSA-N	376.500	4.912	50	40	GJGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	13658606	FNZGORHAWQRVGG-SXGWCWSVSA-N	391.408	4.569	50	40	GJGB	
CC[C@H]1CCCCN1CC(=O)/C(C#N)=C1\NC(c2ccc(Cl)cc2)=CS1	15905848	SPFQPOAAAGETGW-TXCMAPRMSA-N	387.936	4.544	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Br)cc1	16693127	JRIYKXYWDSQJEB-XKZIYDEJSA-N	397.272	4.765	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1	59459236	ZSBMWORAARRJML-FYJGNVAPSA-N	393.493	4.733	50	40	GJGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c1	408722354	HOJBOESMUQYKSH-ZVHZXABRSA-N	384.391	4.562	50	40	GJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	408885616	CVYBJFGLNCLBRC-UKTHLTGXSA-N	375.653	4.957	50	40	GJGB	
COc1ccccc1/C=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl	408968871	CIMCONJGYGGJHN-UKWGHVSLSA-N	379.268	4.981	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)c(Br)c1	409164211	DZZFOATWUDSPTJ-CIAFOILYSA-N	383.245	4.781	50	40	GJGB	
Cc1cccc(COc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)c1	3090695	SVCZLWDQVWMHMH-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1C	3668286	MTORWNWKELZKSC-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	5654010	VJNCDGLKTBBYPE-NTEUORMPSA-N	390.361	4.658	50	40	GJGB	
Cc1sc2nc(/C(C#N)=C/c3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C	6295173	ZWJQBOGVAGGVHW-WUXMJOGZSA-N	375.375	4.684	50	40	GJGB	
CCCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCCCC1	225656844	GOBDFEKCXCWVCB-UHFFFAOYSA-N	384.314	4.528	50	40	GJGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(C(C)(C)C)c1O	408968795	ZEWGXNQVEMADBW-LGJNPRDNSA-N	395.478	4.762	50	40	GJGB	
O=C(/C=C/c1nc2ccccc2o1)NNc1c(Cl)cc(Cl)cc1Cl	22592153	BWHPLMSXWITZND-AATRIKPKSA-N	382.634	4.945	50	40	GJGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1	409214245	RSILOASKPSHJTD-WZUFQYTHSA-N	379.597	4.780	50	40	GJGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(C)ccc3C)C3=C2CCCC3=O)cc1	6715031	NJBYCCOEVJPJFR-QHCPKHFHSA-N	399.494	4.617	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1OC	408792798	CGZUHQMINZLICC-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408813463	UJMOPOIWDGWDOP-MHWRWJLKSA-N	382.847	4.768	50	40	GJGB	
N#CC(Nc1ccc(Cl)c(C(F)(F)F)c1)=C1C(=O)c2ccccc2C1=O	954537	YHUCEKIEFSQWLQ-UHFFFAOYSA-N	376.721	4.628	50	40	GJGB	
CCCCCOc1ccc(/C=N/NC(=O)c2ccc(NC(=O)CCC)cc2)cc1	4413047	YOFDDEQBRFXVQW-JJIBRWJFSA-N	395.503	4.758	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1	59473168	MCZKRVWETJRMOM-HZHRSRAPSA-N	376.481	4.751	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1Br	409143400	FBAVHFRFLJSTKV-CIAFOILYSA-N	383.245	4.781	50	40	GJGB	
O=[P@](CCl)(OCC(Cl)(Cl)Cl)N(CCCl)CCCl	1694122	GBTUMKGIELCXQR-QGZVFWFLSA-N	385.870	4.542	50	40	GJGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	4063786	VTLAIVWWWPDKIA-RVDMUPIBSA-N	378.432	4.884	50	40	GJGB	
Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1	4595205	FOYMEOPTVWQLOO-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)c1ccccc1	28216650	INNBUQRYEUOWQV-GQBLCDNYSA-N	395.890	4.585	50	40	GJGB	
O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccccc1-n1cccc1	32705925	BWUVBTJMNAIITE-ITYLOYPMSA-N	395.462	4.820	50	40	GJGB	
COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	408582012	KZZACDJUVLCOIH-XSFVSMFZSA-N	384.435	4.777	50	40	GJGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1OCC(=O)O	408599412	UKUNWHARGBUQJP-ACAGNQJTSA-N	378.211	4.530	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408792295	AMRVYOOKVFMPGX-GZTJUZNOSA-N	394.858	4.605	50	40	GJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(Br)c1	409117876	PGUNBEDYQJMLCR-GNUZOCDUSA-N	391.334	4.779	50	40	GJGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C)cc1	4700406	SIOUCRISLRFDJJ-QOMWVZHYSA-N	399.494	4.980	50	40	GJGB	
CCCCCCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1OC	8399354	NHYBPKBERKFCKH-CJLVFECKSA-N	378.513	4.693	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	9201091	VVUFEHQEVXSMFP-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	59116861	WWBPRBUDEXVAHV-VBKFSLOCSA-N	382.847	4.849	50	40	GJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)c2nc3ccccc3[nH]2)c1C	96314619	HEASCQSQEXNGII-IQFISFIMSA-N	376.460	4.603	50	40	GJGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2)CCCC1	225503277	GPCNTEJOIFCYKG-UHFFFAOYSA-N	388.305	4.911	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1Cl	408591206	RZPQVEQKZRCFNE-FSJBWODESA-N	381.863	4.525	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1	408739558	CQNKVVXANUSCKU-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
CCCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	1772638	QQJOFLUDJFPSSP-DEDYPNTBSA-N	376.456	4.922	50	40	GJGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1	4148680	IQPKTXZBVDIBJZ-YBEGLDIGSA-N	389.436	4.718	50	40	GJGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1ccccc1Br	33622478	NIHKHTMTAJFRDS-NTMALXAHSA-N	379.616	4.787	50	40	GJGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	207151402	GNEZSLNXIRPROQ-JXAWBTAJSA-N	394.471	4.818	50	40	GJGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408719853	NIXBEULHMRYKLI-WCIBBKAISA-N	390.508	4.897	50	40	GJGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	1052533	KISIAKPMQKDYSP-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(N(C)C)c(Br)c3)[nH]c2c1	4726057	BAQICMPLLXHVMT-NTEUORMPSA-N	381.277	4.764	50	40	GJGB	
COc1cc([C@@H]2N=C(O)C(C#N)=C(S)N2c2ccccc2)ccc1OC(C)C	9012305	VTJWFHDGTVCQGD-LJQANCHMSA-N	395.484	4.623	50	40	GJGB	
N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=S	33408682	RIQUDTQWIPTXSG-YRNVUSSQSA-N	393.346	4.599	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O	44506010	FKPNDZJHBWIELE-QPEQYQDCSA-N	398.260	4.802	50	40	GJGB	
O=C(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	95696988	HNDCMJCNRXFMQR-QWWZWVQMSA-N	381.861	4.663	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	942035	LTRVKKKEXNADKD-XYOKQWHBSA-N	380.753	4.913	50	40	GJGB	
Cc1ccc(C2(c3ccc(C)cc3)OCC(C)(CBr)CO2)cc1	1671124	GOEIEXQBHVCXDV-UHFFFAOYSA-N	375.306	4.953	50	40	GJGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Br)c1	5739039	RZAAILSDRGTJOJ-KOUDTOEKSA-N	396.288	4.553	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)c1	100839825	LAEUCVDQQZIQHR-KAMYIIQDSA-N	378.413	4.703	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)c1	408746620	UCXMMLCFFNQWKY-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1F	408771589	HLQDZKBWSFKHEH-MOSHPQCFSA-N	378.447	4.565	50	40	GJGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1	409245487	UOEJJGDYDYNCBX-AKGOGDBKSA-N	384.435	4.934	50	40	GJGB	
CC[C@H](C)c1ccc(OCCn2cc(/C=N/NC(=O)OC)c3ccccc32)cc1	4091879	LVGRRURDQIZRLY-SYXCRGJESA-N	393.487	4.924	50	40	GJGB	
COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc(Br)cc1	217705524	KQYGBXQHZMPMRJ-WEVVVXLNSA-N	381.653	4.815	50	40	GJGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(F)cc1	226335941	YQXSUYNEAPEWNP-QPJJXVBHSA-N	399.643	4.954	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409235735	QCMFVDJUKHKKNP-LGMDPLHJSA-N	395.890	4.885	50	40	GJGB	
COP(=S)(OC)Oc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N	2158884	GGWDXZGIFGNSOM-UHFFFAOYSA-N	388.307	4.535	50	40	GJGB	
Cc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1	5174340	ORHLLRWJLYRBLX-MFKUBSTISA-N	375.516	4.761	50	40	GJGB	
O=C(CCCCC(=O)NN=C1CCCCCCC1)NN=C1CCCCCCC1	5897311	BFWFRJSCUHMWTC-UHFFFAOYSA-N	390.572	4.980	50	40	GJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1cccc(C(F)(F)F)c1	8306839	FJMHTBGMBYSRKP-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58885740	JRSFNZCIKCLYNU-UHFFFAOYSA-N	389.805	4.514	50	40	GJGB	
CC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c(O)ccc2ccccc12	2748710	NCZLAXIGOZOHLW-QMFLXTPQSA-N	381.863	4.540	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1CCc1ccccc1	5491397	ZUMAMMRHKIQBBX-AWEZNQCLSA-N	376.847	4.533	50	40	GJGB	
CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1	19810135	PUHNGGHUGJDHMN-FQEVSTJZSA-N	391.540	4.846	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)CCc3ccccc3)cc2C(C)=CC1(C)C	208506747	YQJCLTQGIOVXLX-UQQQWYQISA-N	375.516	4.791	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	408953972	RCYLHPZJRHJLHH-VBKFSLOCSA-N	391.858	4.993	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc([N+](=O)[O-])ccc3F)n2)c1	100601024	WAVCIOQRGOVSPJ-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1	209606083	ZDLYMUCFFODFTQ-MTJSOVHGSA-N	383.245	4.781	50	40	GJGB	
O=C(CSc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	408870152	VNXQOLKDZKPNEF-HZHRSRAPSA-N	376.481	4.508	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1Cl	4923198	RTIFKQHRGXPPNO-KRWDZBQOSA-N	395.915	4.868	50	40	GJGB	
COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Cl	30840587	JDHOTQWTSKIHSV-OYKKKHCWSA-N	394.858	4.545	50	40	GJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1	33397599	MOSOFRCXVOTYDL-VIZOYTHASA-N	392.436	4.620	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	58917493	QBYMPRHTQIPQBL-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1Cl	59334747	JSCKVYMJMRJRHX-UYRXBGFRSA-N	380.875	4.643	50	40	GJGB	
CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	74941532	CMVFMJSJOJDCCT-GXFFZTMASA-N	383.355	4.883	50	40	GJGB	
N#CSCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1	226328655	WFHWHKKIUKUTCU-UHFFFAOYSA-N	378.240	4.954	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Cl)cc1	408728090	HTUAKBIWIJTOKG-FSJBWODESA-N	398.846	4.593	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1	1302259	WSOIHKFAHRCGEX-NTCAYCPXSA-N	391.452	4.566	50	40	GJGB	
O=C(N/N=C/c1ccc(Br)o1)c1cc2c(ccc3ccccc32)o1	2801888	OJJURZWNYSAUNM-KEBDBYFISA-N	383.201	4.705	50	40	GJGB	
O=C(CCCl)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12	5106873	SVFLEFFIQFIVIV-UHFFFAOYSA-N	377.227	4.906	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1C[C@@H]1CCCO1	7654053	IWIBSIUBBGHLJW-JGTYQCAFSA-N	399.494	4.983	50	40	GJGB	
CCCCOc1ccc(NC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1	23397267	HPMMKJFVETWTGX-UHFFFAOYSA-N	382.508	4.867	50	40	GJGB	
Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc4c(c3)OCO4)c2C)c(C#N)c1C	28515391	MBRYUPUKYDOAIX-UWVJOHFNSA-N	385.423	4.969	50	40	GJGB	
CNC(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408779021	OZFDGYNIDXNNPL-QINSGFPZSA-N	395.915	4.740	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)c2ccccc2Br)cc1C(C)C	408847717	OGPOEVRBZUHSRH-SRZZPIQSSA-N	389.293	4.653	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)c1	408881086	LSMZKBKXPNNZDV-OYKKKHCWSA-N	378.859	4.991	50	40	GJGB	
O=C(NCCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl	2576622	QIZNMCPJGDCXNH-DLBZAZTESA-N	382.718	4.759	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1C	4922712	HHAJUVZXINTZDU-GOSISDBHSA-N	393.487	4.662	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	5490731	GCSWUYKDOPWLAJ-INIZCTEOSA-N	396.372	4.622	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc(C)c1O	48288650	UQCKWIYEHOTDRJ-PDICVPPASA-N	391.496	4.908	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl	408747004	JBWDGHAPQLSAOU-SXGWCWSVSA-N	387.266	4.782	50	40	GJGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl	3672644	KAKCSNMDVNUPRI-OAQYLSRUSA-N	386.838	4.723	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c1	4723200	IUFMBVMKRWEYIV-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1Cl	33336511	BRXKPKBYGMOOSY-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)P2(=O)Cl)cc1	100408352	ZGROBBWPIOZSHP-UHFFFAOYSA-N	394.839	4.759	50	40	GJGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1	408583363	UASQDDLWSSFAMC-AWNIVKPZSA-N	378.211	4.530	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1Br	408601619	KWRBQOATYAKFEI-RGVLZGJSSA-N	390.281	4.640	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccs1	855743	ZYOFRBWUEIOJDS-VCHYOVAHSA-N	375.247	4.535	50	40	GJGB	
Cc1ccc(COc2ccc(/C=C(\C#N)S(=O)(=O)c3ccccc3)cc2)cc1	936785	DOTHRQNRHISPFB-HZHRSRAPSA-N	389.476	4.912	50	40	GJGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	4108640	OUXCSYRENAKXFW-JVWAILMASA-N	395.462	4.765	50	40	GJGB	
CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C(/C)c3ccc(Cl)cc3)c2C1	4995247	MYYAFYIFBUJZMJ-KSJDGYIASA-N	386.927	4.758	50	40	GJGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1	20348029	FUIMFQQUCKQBJO-DNVCBOLYSA-N	393.487	4.602	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2)cc1OC	33390262	APXKOKLCHOCKAT-MUBJSKCLSA-N	375.856	4.682	50	40	GJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc(Cl)c1	59117098	QXMCLCHGEMQGLX-RVDMUPIBSA-N	392.798	4.698	50	40	GJGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1	100219290	DZGAATXEMSAFKX-XNTDXEJSSA-N	386.782	4.610	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2OC)c1C	408966632	MNPZQXOVSLAVJR-IWIPYMOSSA-N	390.487	4.821	50	40	GJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Br)cc2C)C1	675501	MMOYSKQWQBVXNT-OTUOZYHDSA-N	391.309	4.541	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(C)C	1095524	CVJVKORRMUCFOA-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4814979	ZUTVTORLFZRXRX-JLHYYAGUSA-N	393.384	4.603	50	40	GJGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408816975	SRNIAVUUVDFZMC-FOWTUZBSSA-N	382.847	4.849	50	40	GJGB	
CCCOc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	2070852	DXENTUHZBGHORE-OAQYLSRUSA-N	380.488	4.612	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	2774147	GSGUFKMASQWORO-GZTJUZNOSA-N	385.847	4.788	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)cc1C	4923471	BZWLFBJYZMXWTD-LJQANCHMSA-N	393.487	4.662	50	40	GJGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc4ccccc4c3)[nH]n2)cc1	4995186	YFPWOMCYFNINLW-XYGWBWBKSA-N	382.467	4.946	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/C=C/c1ccc(Br)cc1	6237992	IBEDJGNEYLWQDQ-XJLXESQPSA-N	393.284	4.960	50	40	GJGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\c1cccc(F)c1	104091879	BSPJJWJWZPHGPS-QRVIBDJDSA-N	399.293	4.878	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408865665	DPOSDAVGWMCVSI-NTUHNPAUSA-N	389.224	4.533	50	40	GJGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccco2)sc2c1CCCC2	2336077	WCNXPGSJPDDQTQ-WYMLVPIESA-N	398.484	4.722	50	40	GJGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	2730231	UVQDJIRHDNHLDX-UKTHLTGXSA-N	393.796	4.970	50	40	GJGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1	4504979	IQVZMPFUJYLCOU-XTLILIHYSA-N	379.460	4.536	50	40	GJGB	
N#C/C(=C\c1cc(Br)ccc1O)c1ccc(Br)cc1	408578739	ANOLGTGCTVYMJR-KPKJPENVSA-N	379.051	4.981	50	40	GJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1	409364139	WDIHUCOIQDOXDY-YDZHTSKRSA-N	396.830	4.541	50	40	GJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409375082	FGYAREFSALFPBG-UNOMPAQXSA-N	392.890	4.843	50	40	GJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409380186	JUKBTPWFFGWNJT-FOKLQQMPSA-N	394.302	4.626	50	40	GJGB	
Cn1c2ccccc2c2cc([C@H]3[C@@H]4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	2769830	SUXMTDFHBNMSGN-JPYJTQIMSA-N	389.462	4.535	50	40	GJGB	
N#C[C@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1Br	4507052	BVFZBPLLGTXYCW-QGZVFWFLSA-N	391.696	4.785	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	15225502	YKLJUNHDXVHCOU-DHDCSXOGSA-N	375.255	4.568	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	408785384	YYODDZBJANPZCB-ATVHPVEESA-N	377.394	4.918	50	40	GJGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1	408937215	NGEBIOJIGDVEBF-PTNGSMBKSA-N	383.245	4.560	50	40	GJGB	
O=P(c1ccccc1)(c1ccccc1)N1NN=N/C1=C\c1ccc(Cl)cc1	1710612	JCMDJAYOOCOWHW-HMMYKYKNSA-N	394.802	4.755	50	40	GJGB	
CCCCCCc1ccc2c(c1O)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	1828335	IUISUNJLSMLURP-LJQANCHMSA-N	393.443	4.641	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408845740	HFFCVAIGMOTXTE-UKTHLTGXSA-N	389.224	4.533	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)cc1OCC	1320092	KPWMUQPHNLTLMI-HIQXPHMNSA-N	398.503	4.527	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1	5771331	DEIOGJKXYAZXAZ-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc(F)cc1	408808827	GENJXTSWXXJECA-VRAWXEIOSA-N	379.479	4.835	50	40	GJGB	
O=C(N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl)C12CC3CC(CC(C3)C1)C2	4474765	UHZNQXKZBMHOEN-FNFKZHQXSA-N	391.342	4.820	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2c(F)cccc2Cl)c1	4503492	YLCDSWJVRNKVBB-NTEUORMPSA-N	389.810	4.537	50	40	GJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(F)cc2)cc1OC	15013831	CGADVTZQTSOKOY-OQLLNIDSSA-N	386.220	4.673	50	40	GJGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1	40139614	RBGPJYOZSQVEGW-VCHYOVAHSA-N	390.874	4.997	50	40	GJGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)c(C#N)c1C	408592418	YBSNCRIOEXMQOH-BHGWPJFGSA-N	394.862	4.593	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409193255	HXXMTANWVPDZCM-NWFCWYBLSA-N	391.309	4.592	50	40	GJGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1	897458	JVHYANQOASFADB-HSZRJFAPSA-N	392.462	4.861	50	40	GJGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl	4724387	BOPMVPSQQFIGGG-SSDVNMTOSA-N	379.287	4.820	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	7160158	DCQFVITUHZFXDQ-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cc(Cl)cc(Cl)c1	7892840	DSQNPAPJTCRYGB-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	20764300	BKHZHRARSOTWHB-BUVRLJJBSA-N	375.472	4.565	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)c1	28217259	JTMIHELZZIKLDJ-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
N#C/C(=C(/O)COc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1	100656955	DLJDXGVVRGJLJY-CLFYSBASSA-N	398.312	4.863	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)n1	408980755	XDGCMODMHNWBDD-RIYZIHGNSA-N	396.790	4.569	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccc3c(c2)OCO3)cc1	4592657	OGRXFAAPJLUEPD-PJEKPMPLSA-N	390.483	4.632	50	40	GJGB	
N#CC1=C(N)Sc2oc(-c3ccccc3)cc(=O)c2[C@@H]1c1ccccc1Cl	4619534	XDTJTVIOBVDQFB-GOSISDBHSA-N	392.867	4.892	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(SC#N)c1C	7345646	ZUHKZSVUQRHFSN-UHFFFAOYSA-N	380.878	4.712	50	40	GJGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1nc2c(ccc3ccccc32)s1	34865562	IOCUHAYMHLCWRW-DHDCSXOGSA-N	399.431	4.724	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	408726186	RDJMAHBEQSHMNT-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCc1cccnc1	26842177	KTCYLEDYEGIXBR-MHWRWJLKSA-N	397.356	4.584	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	408842477	ACCPPOWNBSURDF-GDNBJRDFSA-N	375.255	4.568	50	40	GJGB	
CCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1	3663368	TTZODITTWSSLLD-FYJGNVAPSA-N	399.541	4.718	50	40	GJGB	
COc1ccc(Cl)c2sc(NNC(=O)CSc3ccc(C)cc3)nc12	5256725	SYFYIAZNUVETTC-UHFFFAOYSA-N	393.921	4.502	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OC	6407962	VSCFEYXJGZXNBH-NTUHNPAUSA-N	398.260	4.715	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cc2ccccc2cc1OC	107979355	DCTAJBHTBYBZGR-QRVIBDJDSA-N	382.847	4.664	50	40	GJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(Cl)cc3)cc12	793965	XWBXIQAIDCIJIS-WSDLNYQXSA-N	394.887	4.813	50	40	GJGB	
CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@]4(N=C=S)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	1724184	BJBNBXRABJZBCO-YMSNJSLYSA-N	389.561	4.755	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	1780852	POKDSMVEXGMCEG-PXLXIMEGSA-N	375.449	4.604	50	40	GJGB	
CCCCc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	3174849	PQVBAAIYVUDALR-WSDLNYQXSA-N	379.287	4.865	50	40	GJGB	
C=CCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	5480639	FKZIMCXGLPJGFE-LJQANCHMSA-N	376.481	4.523	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c(C)c1	6044253	DHLIIEZYVXMZCQ-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	408947207	AVANWHQVZGUFQY-GHOZOMOVSA-N	379.287	4.886	50	40	GJGB	
Cc1cc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c(C)c([N+](=O)[O-])c1	1444749	ZEGBSRKRKWPUOM-CIAFOILYSA-N	378.388	4.627	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1	6358359	JYJLRPKYYVQMCH-WTJYETQFSA-N	376.456	4.790	50	40	GJGB	
O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccncc1	33333906	YFZGGQBBVYHSRO-MXAYSNPKSA-N	388.858	4.502	50	40	GJGB	
Cc1cccc(N2P(=O)(N(C)C)N(c3cccc(C)c3)P2(=O)N(C)C)c1	95671328	RCSHPWPPXKMKIW-UHFFFAOYSA-N	392.380	4.969	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408793257	DPTHKYRJHXKHEG-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	408879099	CLKHPDSJYJXOSC-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccccc2)o1	409002874	XABFFDGLPJHUKB-CIAFOILYSA-N	386.860	4.613	50	40	GJGB	
O=C(c1ccc(C(F)(F)F)cc1Cl)[C@H](Br)CBr	575361496	LBQFDYQKMJHOJW-SSDOTTSWSA-N	394.412	4.700	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1	5547483	GXCFCFFKMAUNGT-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CN1/C(=C\C=C(/C#N)C(=O)Nc2cccc3ncccc23)C(C)(C)c2ccccc21	6579855	ISRJDNFAGBKEQX-NQUYOCRNSA-N	394.478	4.935	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(N)nc(Nc2ccccc2)n1	11296411	OVICEKSRVLUETN-XYOKQWHBSA-N	383.242	4.568	50	40	GJGB	
Cc1cc(OCc2ccc(C(=O)N/N=C/CC(F)(F)F)cc2)ccc1Cl	36611232	DWYDCQKNKGXORC-NUGSKGIGSA-N	384.785	4.895	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(C)C	408734186	FLPQTXCKKCXCFZ-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1	409192470	DALCIWDHNGHQIK-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)n1	409389127	ZLVHMVWGKKDIEB-YBFXNURJSA-N	391.858	4.980	50	40	GJGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1C	664732	XVFDQHRCWHOEAV-INIZCTEOSA-N	394.837	4.704	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccc(F)cc1	408802313	YYLWDIXRWBKBEJ-PUMYGXPMSA-N	396.462	4.625	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC	409233459	SHNOCUDFRTZOCO-GZQZNAIASA-N	398.890	4.922	50	40	GJGB	
Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)N/N=C/c5cccs5)(C4)C2)C3)cc1	1467534	ZKCLDHGZBIGXHX-QWRJCGMLSA-N	393.556	4.980	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1	6961264	HJZNYPIVGYVHSF-GZTJUZNOSA-N	396.874	4.503	50	40	GJGB	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)nn1-c1ccccc1	97139980	PPIFMHBGXQUEHI-UHFFFAOYSA-N	395.677	4.898	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	3109522	OWYRXFVCVMVITK-CIAFOILYSA-N	376.909	4.512	50	40	GJGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1	3273737	KVXVIYRXZKJJRU-UHFFFAOYSA-N	375.229	4.732	50	40	GJGB	
CCOc1ccccc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1	58885853	ZBEYEXGDXQCVNW-UHFFFAOYSA-N	387.524	4.801	50	40	GJGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1	408958351	YAELRLMEPWRPKS-VDALEZFKSA-N	386.879	4.885	50	40	GJGB	
COc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1	409010710	DDMROTTTYLBMRC-XKZIYDEJSA-N	382.851	4.603	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	3114862	BWFBUMGYTPJGKR-AFUMVMLFSA-N	396.531	4.825	50	40	GJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1	4723455	GUZJLROYDATIAH-KPKJPENVSA-N	393.668	4.794	50	40	GJGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1	4806630	MWWHWPCSASRDDK-VKAVYKQESA-N	379.416	4.709	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	5379914	FDQBELBJQYAGEI-OEAKJJBVSA-N	391.427	4.916	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1	20764235	FCNKQDHNGDMFQJ-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)NC1CCN(Cc2ccc(F)cc2)CC1	96114673	VSZKPPXEWXZQJO-LJQANCHMSA-N	396.597	4.620	50	40	GJGB	biogenic
COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCCC4)c(F)c3)[nH]c2c1	409393468	XNWDXWRYZKORLZ-WJDWOHSUSA-N	376.435	4.765	50	40	GJGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21	636677	YNEIGULYCRLKJH-LPYMAVHISA-N	396.288	4.662	50	40	GJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)o1	6453876	SUKWCZOIYARNOU-UVTDQMKNSA-N	391.339	4.836	50	40	GJGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2SCc2ccsc2)c(C)c1	12945562	MBQIGXBOVVRZEH-UHFFFAOYSA-N	396.537	4.732	50	40	GJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(C(=O)O)cc1	408542612	KOKATUDIAFIDFS-BOPFTXTBSA-N	387.351	4.544	50	40	GJGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1	408796682	OTGGGCRHMINUQS-XSFVSMFZSA-N	384.435	4.825	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Cl)cc1OC	409379821	ZVOUJPUGNWQWQS-VTGBELTLSA-N	395.286	4.943	50	40	GJGB	
C[C@]1(CBr)[C@H]2CC[C@]1(CBr)c1nc3ccccc3nc12	1020374	WWOOALUAGOTYDL-HNHYXYPQSA-N	396.126	4.555	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	2364411	LWNLJVFDMMSLTF-DEDYPNTBSA-N	399.450	4.646	50	40	GJGB	
COc1cc(CNC(=O)CCCCCCCCCCSC#N)ccc1O	5941379	GWPNSFLGYARZKB-UHFFFAOYSA-N	378.538	4.742	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	14151812	NVFUYYSYVLOVMW-FOWTUZBSSA-N	389.480	4.609	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1	33306921	PNBFLWVBZZTYFU-NTUHNPAUSA-N	392.636	4.630	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccnc3)cc21	223503176	CIIQSRDKOPRQJX-AFUMVMLFSA-N	376.504	4.564	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1C	408760806	GEJMJDFMAMTIME-UVTDQMKNSA-N	394.272	4.795	50	40	GJGB	
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1ccc(Br)cc1	692226	UDXFPBIMYWJEPL-GOSISDBHSA-N	393.240	4.526	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)N(c2ccccc2)c2ccccc2)ccc1O	1578361	RBDLDNLSGMBWIA-XQNSMLJCSA-N	375.428	4.673	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	4596826	USAAETYZRMURAK-MDWZMJQESA-N	380.238	4.697	50	40	GJGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1c(F)cccc1Cl	4702445	LBKYMCHICNPEID-CFRMEGHHSA-N	382.822	4.675	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccccc2C#N)o1	6145607	KGLAUFDVXGVLBA-CVKSISIWSA-N	395.418	4.744	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)c(C)c1	33671532	JZZDRZIVHINJBA-LGMDPLHJSA-N	386.407	4.587	50	40	GJGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\CCCc2ccccc21	671330	FKMHAVJUFNJDPO-GOLNUVQQSA-N	377.271	4.618	50	40	GJGB	
O=C(CNc1cccc(C(F)(F)F)c1)NN=C1c2ccccc2-c2ccccc21	3283918	JGILDYBKZZNUPV-UHFFFAOYSA-N	395.384	4.667	50	40	GJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1	6746215	ARDVCLOFPSRULL-KRWDZBQOSA-N	395.915	4.868	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC	7156787	ZKUOJQDTNZATTD-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1	96437221	XMABGHSSJADECV-WCIBSUBMSA-N	394.736	4.633	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1	96751827	UOVNQGIMEAOBEA-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)cc1	409235888	CRWZVELICIIXSQ-JWGURIENSA-N	398.462	4.805	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	6209893	WYVCYDKPVGBGSC-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	6571362	CCKAEKJDBMYEDS-FOKLQQMPSA-N	394.277	4.805	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1Cl	11288379	ORKYMEVNZQDMJR-RVDMUPIBSA-N	392.798	4.844	50	40	GJGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cccc(Br)c1	20247963	PGBISRSLJBMOSX-ZXOFLVKFSA-N	391.334	4.611	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3F)cc2C(C)=CC1(C)C	208516763	JYUPSZGHCHYOMH-AFUMVMLFSA-N	379.479	4.920	50	40	GJGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C(N)=O	1196677	WGQITDQHOWFGHY-RCCKNPSSSA-N	390.446	4.599	50	40	GJGB	
CC(C)CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	3251311	JHDFTEWNKPCZLD-BUVRLJJBSA-N	376.456	4.734	50	40	GJGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2C1	4923152	DKKRFUOGDCIGGY-INIZCTEOSA-N	395.915	4.868	50	40	GJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	4950745	LNTNUNBFZWRBPS-ZVHZXABRSA-N	394.906	4.896	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	5711881	XHTMYLRATWHKGQ-RCCKNPSSSA-N	392.499	4.878	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC	33721363	OHFPPRQTSQGSGZ-YBEGLDIGSA-N	391.858	5.000	50	40	GJGB	
CC(C)n1c(CCNC(=O)CCCC[C@H]2CCSS2)nc2ccccc21	96115757	ZLPQZRDYTDKZHF-INIZCTEOSA-N	391.606	4.990	50	40	GJGB	biogenic
C/C(=N\NC(=O)CSCc1ccccc1C)c1cccc(Br)c1	408781440	SKCGIWDEKNCBCT-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCC	408812136	BIYPIAWGXXHWOM-AQTBWJFISA-N	394.446	4.897	50	40	GJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1ccc(C(F)(F)F)cc1	408850165	HHNMCEUNIIDYIH-QPEQYQDCSA-N	381.737	4.886	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3cc(C)ccc3C)C3=C2CCCC3=O)cc1	6627297	NYMZIOXUBYENTO-QHCPKHFHSA-N	383.495	4.917	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	36159491	HIFWGUZDEHRVLR-YDZHTSKRSA-N	396.830	4.541	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1	59501727	VVTXGPMZVFELEM-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3F)cc21	208463096	ZMAANEURMMUFFL-WYMPLXKRSA-N	385.870	4.875	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)Nc3ccccc3OC)cc2[C@@H](C)CC1(C)C	223538146	QRTWMZBDJORRQQ-PHQOBFFQSA-N	394.519	4.963	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408794188	IDCZBMGNGZZHEM-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408850276	JYSVWCOEFFKEAM-NTEUORMPSA-N	386.810	4.598	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(O)c1	408983793	HSVCCULEELXKJJ-YBEGLDIGSA-N	383.879	4.746	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208193467	IEARJJVXAXTHRF-DZIKBWIISA-N	380.492	4.573	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1	408820284	VDFUKJFTNZRIOX-ZHZULCJRSA-N	384.435	4.711	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409190689	PWRIRTLVIWKRNI-JHAVZTMOSA-N	395.286	4.943	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	2670491	OPERPQDSXKBIRS-NBVRZTHBSA-N	394.471	4.818	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1	4922726	GTYIMLVBHLGGPT-SFHVURJKSA-N	393.487	4.608	50	40	GJGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1	5894890	KZVKSNUYVOWYCH-YDZHTSKRSA-N	397.887	4.808	50	40	GJGB	
CC[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C\c1cccc(Cl)c1	33348475	IKSOKXALVMDWFU-UWOKGBPVSA-N	389.933	4.971	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(F)c1	408848492	QTLYERWGPJHXBN-CFRMEGHHSA-N	375.403	4.743	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCC	409068705	SOALWOLTTAYIQL-CPNJWEJPSA-N	376.456	4.677	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccnc1	59425678	NQPAKFKJIAKDJV-CVKSISIWSA-N	381.435	4.578	50	40	GJGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21	108034334	GMZVYDJJNNSXNH-QJISPJEISA-N	387.439	4.856	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1cccc(Cl)c1	408758719	PSVASCQNFKWDFB-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
COc1ccc2cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c(Cl)nc2c1	685643	OXRFTEYVUZGICO-AEOXGOBCSA-N	399.903	4.528	50	40	GJGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccccc3-n3cccc3)ccc2c1	4863642	HZJHNQNUTJCARQ-KOEQRZSOSA-N	383.451	4.793	50	40	GJGB	
N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCCc1ccccc1	5013321	GLOSJTZBIIDLND-VKAVYKQESA-N	399.475	4.822	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3)c2C)cc1	6935070	CYPXOBAOJSVMMS-IWIPYMOSSA-N	390.487	4.957	50	40	GJGB	
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1	7656858	ISKWBCVIVDSZNF-NLKGSNSHSA-N	394.265	4.624	50	40	GJGB	
C[C@H](Sc1ncnc2sccc12)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104796805	PPRRNPNWEFDLDW-ORHXRLAQSA-N	396.522	4.694	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	5543521	PJZAJKCWEXDPNF-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC1CC1	5899488	GFUCFPSLWFORAI-LFIBNONCSA-N	375.859	4.529	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(Cl)c1Cl	408771697	BEAAODNYBKZJEM-DHDCSXOGSA-N	376.287	4.833	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(C(C)C)c(OC)cc2C)c(C)c1	408907063	LJNLKXNJFOBNLV-MFKUBSTISA-N	396.531	4.917	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccn2)c1C	409239405	MLHYCIOHLHTYKC-PDGQHHTCSA-N	390.874	4.997	50	40	GJGB	
CCCCCc1ccc(C(=O)NNC(=O)c2ccc(OCCCC)cc2)cc1	9553622	HQUHTTSHVSHWRS-UHFFFAOYSA-N	382.504	4.673	50	40	GJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	10475774	UNBOFYJTVAFUER-OEAKJJBVSA-N	382.847	4.692	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1	4190732	KXUSQCFFGLQWAM-OPJNVNOGSA-N	383.319	4.907	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1n[nH]/c(=N/C(=O)c2ccccc2)s1	8914863	PIOICQILTGOONQ-GHRIWEEISA-N	398.447	4.536	50	40	GJGB	
C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1	33457936	MBYJRYWHAWNMGQ-MTJSOVHGSA-N	375.310	4.506	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccccc1Cl	408793524	PIHVBSPDSFCCEH-ACCUITESSA-N	392.798	4.844	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409190691	PWRIRTLVIWKRNI-VTGBELTLSA-N	395.286	4.943	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1	3232359	BJXIILAOSGYXAW-DTQAZKPQSA-N	398.304	4.841	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCCC2)cc1	7384423	LDFJWHITJZPMAN-BUVRLJJBSA-N	393.874	4.964	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1cccc(N2Cc3ccccc3C2)c1	32124789	MKFODMGQYXVXRR-CFRMEGHHSA-N	375.859	4.624	50	40	GJGB	
Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1	96129791	IICZKIMBLOMLNG-VXYCCBPDSA-N	381.435	4.669	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCC)c1	408985463	WXWYTDCGVHXYNA-YBEGLDIGSA-N	384.863	4.992	50	40	GJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)c1	409223917	GQLZFTOGGXTQPV-XLNRJJMWSA-N	383.495	4.750	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)o1	6651614	OSKXYDRPBPOFAU-FYWRMAATSA-N	383.407	4.684	50	40	GJGB	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)c2nc3ccccc3[nH]2)cs1	7000979	WFIWMHNADJDMPI-RVDMUPIBSA-N	385.452	4.768	50	40	GJGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@H](C)CC1(C)C	260569325	PNNAEXOLZBSUDG-HUSFYUSLSA-N	379.504	4.657	50	40	GJGB	
CN(C)c1ccc(/C=C/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409237641	KLHGYGVEYSKITJ-QCWVPXHQSA-N	385.389	4.873	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br	3115070	ZUPOADSWUPDPFB-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)CSC1c2ccccc2-c2ccccc21	20247333	SHZUYXVRAFCMHP-ZVHZXABRSA-N	388.492	4.649	50	40	GJGB	
COc1cccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)c1OC	108630480	NRXRGYHABGXTJO-FBHDLOMBSA-N	388.876	4.644	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O)c(Cl)c3)cc2c1	409186346	ASWONILHRAGAOW-NKVSQWTQSA-N	393.226	4.608	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccccc2)c1C	28216169	JVBTZTWTKVFKFX-OEAKJJBVSA-N	377.513	4.645	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	6945402	BFMCHDDPDLGRQH-UYRXBGFRSA-N	376.456	4.813	50	40	GJGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O	6950552	OPTMEWGGXMCFAL-YDZHTSKRSA-N	397.475	4.659	50	40	GJGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl	409246569	IVMXAPCHZWKDNK-UYRXBGFRSA-N	382.891	4.783	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1OC	2341379	SMRCWGYICKIMGH-NBVRZTHBSA-N	379.460	4.595	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	4922442	YRSBIRNGGXTFQL-SFHVURJKSA-N	395.915	4.868	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	59281806	QGWMMTRDIOZBCT-RVDMUPIBSA-N	399.834	4.973	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1	208463755	XUVUIECYIONBCK-ZMOGYAJESA-N	397.906	4.744	50	40	GJGB	
COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc(Cl)cc1Cl	408543518	PPVQBILCYYFURB-AWNIVKPZSA-N	393.295	4.774	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c1	408598444	AMPUFJNLDJLBKM-MFKUBSTISA-N	398.418	4.650	50	40	GJGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	408784331	RRRRFSRTGZZJKR-LFVJCYFKSA-N	389.524	4.809	50	40	GJGB	
Cc1cccc(COc2ccc([C@@H]3NC(=S)NC(C(C)(C)C)=C3C#N)cc2)c1	409368714	JFYZJYMNMJHDFH-FQEVSTJZSA-N	391.540	4.917	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	985642	PNOXDTLANJNWPC-HNNXBMFYSA-N	397.265	4.910	50	40	GJGB	
Cc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccc(OC(C)C)cc1	1070212	FHDCRCVLNPLPIV-HXUWFJFHSA-N	386.455	4.748	50	40	GJGB	
CCCCCOC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	3159541	QMEDUOXZLQDKRD-OLZOCXBDSA-N	378.104	4.620	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	3251391	VGLVNBDDOJBJPT-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	4844495	FWEBQCFXVAHBJJ-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
CSc1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1	20348378	UIOJNEZJLPDXKH-GOSISDBHSA-N	399.585	4.756	50	40	GJGB	
N#C/C(=C\c1cc(Br)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1	409200244	HRZROAGNGATDGX-VZUCSPMQSA-N	379.597	4.780	50	40	GJGB	
Cc1ccc(OCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1	4196547	IMTIEGSXZXGEBM-JJIBRWJFSA-N	389.455	4.608	50	40	GJGB	
O=C(NCc1ccc(Cl)cc1)C(=O)NN=C1CCCCCCCCCCC1	4363347	CAOXUMVMCNMWFI-UHFFFAOYSA-N	391.943	4.733	50	40	GJGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	7098731	KIRVLCOUBJOTLL-ZMOGYAJESA-N	391.471	4.583	50	40	GJGB	
C/C=C1\[C@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccccc1F	12362743	MYAVKEMYVKFQEA-GPUHIPEOSA-N	393.306	4.990	50	40	GJGB	
CCOC(=O)/C(C#N)=C/C=C(\Nc1ccc(OC)cc1)c1ccc(Cl)cc1	16682011	FQUCVNRTFCEALK-VYGGCXJISA-N	382.847	4.815	50	40	GJGB	
CC(C)(C)OC(=O)Nc1c(OC(F)(F)F)cccc1C(=O)CBr	199829802	SOIWTZSIRZJXMQ-UHFFFAOYSA-N	398.175	4.510	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccccc1	408725672	IJQWNMMWLZVLRI-CPNJWEJPSA-N	399.406	4.719	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1OCc1ccc(Cl)cc1	408856662	KMPBAPNMUCJDGX-DHRITJCHSA-N	393.874	4.695	50	40	GJGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Sc2ccccc2)o1	408996404	DKVZHNRCKTWYBT-MTJSOVHGSA-N	386.860	4.613	50	40	GJGB	
Cc1c(F)c(F)c(NNC(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1F	2543409	QGROLOYOLOWXRJ-UHFFFAOYSA-N	381.251	4.719	50	40	GJGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cccc(Cl)c1	3090027	OYNWPRDNPLDJBG-UFFVCSGVSA-N	398.677	4.516	50	40	GJGB	
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)Nc1cccc(Br)c1	4083809	PIHJDKIXWAPBLH-NTCAYCPXSA-N	392.256	4.785	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1cccc(OC2CCCC2)c1	4631751	PCXKAMLHADHGRC-HXUWFJFHSA-N	398.466	4.616	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC	408794618	JQZFAVSFMOJZIF-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(C(F)(F)F)c1	979663	HDEDTELSQFYKIH-ZVBGSRNCSA-N	395.431	4.558	50	40	GJGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C#N)cc2)cc1OC	1127966	UIJPBISDQRVZFL-LZYBPNLTSA-N	383.245	4.792	50	40	GJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl	2147433	UECWNOVDHFOERW-IFRROFPPSA-N	392.069	4.829	50	40	GJGB	
O=[N+]([O-])c1ccccc1[C@@H](Br)[C@@H](Br)c1ccccn1	4235286	QBPGDIIPQCPVEE-OLZOCXBDSA-N	386.043	4.562	50	40	GJGB	biogenic
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1	4815526	KVNGGZWUYVHVKQ-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4922453	CBZTVJBFPUMXJL-FQEVSTJZSA-N	389.524	4.831	50	40	GJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](C2CCCCC2)C(C#N)=C(N)O3)cc1	5883894	KHNIJBCQSOXJTQ-GOSISDBHSA-N	378.476	4.616	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1	9201900	JHHCUUUGVXWDJU-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1c(OC)ccc2ccccc12	34689666	VWYFKNTYCOAZOP-MYYYXRDXSA-N	384.435	4.774	50	40	GJGB	
O=C(NN=C1CCCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1	58885788	LRWMRROIXGHNQX-UHFFFAOYSA-N	379.460	4.634	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1O[C@@H](C)CC	409188116	ATGOELXDWXDZNY-FBKCMUNRSA-N	390.911	4.882	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	3109518	ATTXOYZOZHKIBX-LPYMAVHISA-N	390.936	4.902	50	40	GJGB	
CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(C)=O)cc1	4499475	ZZTNRESUCUYUQI-FVQJWRHTSA-N	388.895	4.781	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1C(C)C	7900591	DTSMNUZSNQQSMI-MHWRWJLKSA-N	392.528	4.927	50	40	GJGB	
O[C@@H](CCl)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31	13584511	FQHLSJGZUNDOTA-AVRDEDQJSA-N	386.967	4.982	50	40	GJGB	
CCc1ccccc1NC(=O)CSSCC(=O)Nc1ccccc1CC	1806516	MCTPTPRXTIENLY-UHFFFAOYSA-N	388.558	4.770	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cc2ccccc2F)c1	408874751	ADBFRFIHFBAQFV-DEDYPNTBSA-N	386.426	4.971	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1Cl	409055558	ZLDGULIATZKRKS-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1	409224901	JCGYXZKITHAGGK-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1	1231021	OXKOIQUZHOCGCT-MFKUBSTISA-N	383.451	4.717	50	40	GJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	10475775	MFYDYROTYCJCGO-OEAKJJBVSA-N	382.847	4.692	50	40	GJGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3cccc(Cl)c3Cl)[C@H]12	16607938	CIARANHFRXRNDF-ABSDTBQOSA-N	399.281	4.639	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)c(C)c1	33607461	HRCUZBZTRYRXMT-UNOMPAQXSA-N	377.463	4.897	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)C(=O)Nc1ccc(O)cc1	33725795	CTVYBDWWPPUBDM-SDXDJHTJSA-N	383.451	4.691	50	40	GJGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)n2)cc1	36386165	JTOOVMHWRWWNFP-DHDCSXOGSA-N	393.424	4.887	50	40	GJGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(C(=O)O)c1	408541205	FGGTWFZREXHQPN-PDGQHHTCSA-N	384.391	4.723	50	40	GJGB	
O=C(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccccc1Cl	408726221	AMVHPNCHJXUTAX-ZVBGSRNCSA-N	378.646	4.959	50	40	GJGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)c1	408746464	STQIADWLEBWDIC-ATVHPVEESA-N	386.407	4.587	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408966063	YVJOSRSIDWVNPZ-VULFUBBASA-N	396.368	4.635	50	40	GJGB	
CCCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9015418	FGKYWLUAQBBPPI-IBGZPJMESA-N	378.497	4.747	50	40	GJGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1	33339507	RYCBFBPDOOLOBR-PDGQHHTCSA-N	399.425	4.645	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	58917494	HJIVWQMPHASACQ-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)cc1Cl	408764638	VBDBEXVRJHBPNH-LSFURLLWSA-N	375.177	4.705	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1cccc2ccccc12	409376563	ZKGSZVOYATUKEH-JVWAILMASA-N	396.494	4.810	50	40	GJGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\CCCc2ccccc21	671327	FKMHAVJUFNJDPO-PHTQZVSBSA-N	377.271	4.618	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)c(OC)c3)n2)c1	1241372	AYDLKZIOTVAPEJ-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3097494	AZZOXLOOIPKUCM-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1	6935019	UVHHRWCISQQGKD-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC	30802783	WASHTKKOLWGQCM-FRTJCDKSSA-N	394.515	4.645	50	40	GJGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12	33341233	BZWNCGZEMKXOCY-IWIPYMOSSA-N	396.406	4.574	50	40	GJGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408811700	OELFNFMIRMQIQD-XNTDXEJSSA-N	385.250	4.860	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	408812231	NZMPZLRDJOHCRN-GXDHUFHOSA-N	380.245	4.954	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	408817040	UYOYKAUGUDTJFE-XFXZXTDPSA-N	378.259	4.978	50	40	GJGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(F)cc1	409241246	JSJOKUZVCUXLMX-WGARJPEWSA-N	389.405	4.732	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3c[nH]c4ccc(Br)cc34)[nH]c2c1	409390575	FKENXJIEEJDKED-WDZFZDKYSA-N	393.244	4.879	50	40	GJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1	1320060	DZCHQPOTYVMQFV-STPJHCLOSA-N	390.483	4.891	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC	7156309	NCNJDSHNBWMGMT-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc(C(=O)O)c1	408544879	VUFXHNAADLCCEH-QINSGFPZSA-N	390.420	4.675	50	40	GJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408819601	ZOBPVVINYRJKFY-LZNAANCOSA-N	398.890	4.749	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CC#N)cc(C)c1OCc1ccc(Cl)cc1Cl	408853116	LQXBTSHDSHOSFW-AUEPDCJTSA-N	390.270	4.553	50	40	GJGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccccc1	408890622	WPQAFFGDXVYJHK-YZSQISJMSA-N	394.430	4.823	50	40	GJGB	
O=C(c1ccc(C(F)(F)F)cc1Cl)[C@@H](Br)CBr	575361497	LBQFDYQKMJHOJW-ZETCQYMHSA-N	394.412	4.700	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	941554	MKQPNDMWKUUGFY-MMTYYTLLSA-N	396.874	4.728	50	40	GJGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccsc2)c2ccccc2n1	2767662	RZFZIBWQQNPKSJ-YDZHTSKRSA-N	387.464	4.736	50	40	GJGB	
COc1ccccc1/C=C(/C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	4807177	MTVURSJCESOZEK-YBEGLDIGSA-N	378.453	4.900	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	5007139	SSNFWAZJMKMEIA-AFUMVMLFSA-N	396.531	4.825	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(OC)c1	6230131	GEKGWAIWMVOBJX-MFKUBSTISA-N	384.435	4.774	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(Br)c2ccccc12)c1ccccc1	13477145	RWOXMKNCELUWCY-HYARGMPZSA-N	397.272	4.522	50	40	GJGB	
Cc1cc(C(=O)NN=C2CCCCCCCCCCC2)c2c(C)nn(C)c2n1	13960976	ASKIENHSSXSTMV-UHFFFAOYSA-N	383.540	4.976	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1	59417821	NZTZFHBCNKCKGH-CIAFOILYSA-N	383.245	4.781	50	40	GJGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)COc2ccccc2)c2ccccc21	408534414	VMOXAVFLKGJKKM-CVKSISIWSA-N	397.478	4.527	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)c1	408757000	VLFKHSZBZCKPAL-CFRMEGHHSA-N	395.890	4.585	50	40	GJGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1ccccc1	408855331	CEONGMFXZKUBHA-ITYLOYPMSA-N	395.462	4.673	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccccc2)c1C	408994621	IEYHMQMGUHJFGC-QRVIBDJDSA-N	381.863	4.520	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	1453929	WLEIVMIXLSIGMT-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
CC/C(=N/NC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1	5414357	SABPJHHMSBYKSC-DAFNUICNSA-N	386.451	4.669	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	5899491	QKSABVYLOPURPD-XSFVSMFZSA-N	384.391	4.964	50	40	GJGB	
COc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	408582016	LBYDUURYTZYGLR-XDJHFCHBSA-N	391.448	4.527	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1nc2ccccc2[nH]1	409075108	UOFSEABPPNEBSF-UNOMPAQXSA-N	395.418	4.904	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(C(=O)O)o1	35314322	LLARHUWFWPABDT-GZTJUZNOSA-N	375.380	4.630	50	40	GJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12	408803530	QDMWAMXKOKBBBK-CXDFQFJYSA-N	389.474	4.959	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	408817134	XDNFKPYBBRSQLM-ATVHPVEESA-N	392.842	4.832	50	40	GJGB	
CCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408818781	YXRCNHFPEBAOCN-OQLLNIDSSA-N	375.255	4.615	50	40	GJGB	
O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)Nc1ccccc1	409229821	VLIYFOBOOVERDV-MFKUBSTISA-N	386.430	4.984	50	40	GJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccn(Cc2ccc(Cl)cc2)n1	2734276	PAJOBGHMBCKQDR-ZVHZXABRSA-N	388.858	4.502	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccccc1F	7093402	QDVVPSBLCTVNBM-WSDLNYQXSA-N	387.867	4.512	50	40	GJGB	
CCc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1	19810140	PUHNGGHUGJDHMN-HXUWFJFHSA-N	391.540	4.846	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1	26123907	LZWPVVMAMZSRAZ-MFKUBSTISA-N	392.430	4.567	50	40	GJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	1319417	PBKIPTGIWBODEX-GCMSVZMUSA-N	376.456	4.588	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCCC)c1	3188572	VEVONRXQFGMWSL-GHRIWEEISA-N	382.435	4.949	50	40	GJGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Br)cc1	5739245	SVYAHAKTSYRKDF-CYGNYLSHSA-N	396.288	4.553	50	40	GJGB	
CCOc1c(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cccc1OC	17167072	LYAUODFLTMUOAJ-OYKKKHCWSA-N	388.423	4.757	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl	409055427	YJDBKISQZRKRQG-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCC	409074760	VJQKMLCKFUQTMT-SFQUDFHCSA-N	380.419	4.507	50	40	GJGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	3067660	ADKNSNUWTXXLEW-YDZHTSKRSA-N	397.475	4.659	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@H](Cl)c2ccccc2)sc2c1CC[C@@H](C)C2	3269743	RWMLPPCAXGMLNT-SJKOYZFVSA-N	391.920	4.968	50	40	GJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3cccs3)cc2)cc1	6892497	FCERUGWEVWLTNK-KQWNVCNZSA-N	394.496	4.880	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	13586177	VBVXAXSNGMRMEL-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	59335783	FOTLXQPTELEKAX-GDNBJRDFSA-N	385.261	4.702	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3ccccc3)c2C)c1	223169048	REYVKNBQKLYACW-JLPGSUDCSA-N	397.522	4.977	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)nn2-c2ccccc2C)cc1	408724215	ICFXTPDSLYTSKX-YZSQISJMSA-N	394.478	4.920	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC	408771333	FXRROMQCHBQARY-UYRXBGFRSA-N	376.456	4.813	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	409228677	CJXKNZHDAIRMND-HYARGMPZSA-N	391.452	4.818	50	40	GJGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c1	4600057	RZGJXWVYZSSSAG-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	33580601	AVINSSUJQNBSMK-XHPQRKPJSA-N	385.511	4.815	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)cc1	59445015	PKXSTZMDCLJYDU-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(Br)cc1	4151270	FWJIMXMEYRSTCS-UHFFFAOYSA-N	392.256	4.907	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)c1	83327487	HJBDRKUEKRYUBW-OYKKKHCWSA-N	378.859	4.991	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccncc1)c1nc2ccccc2[nH]1	6309674	FDKDRFOJJFIJKF-JXAWBTAJSA-N	388.434	4.875	50	40	GJGB	
Cc1ccc(Cl)c(OCc2ccc(C(=O)N/N=C/CC(F)(F)F)cc2)c1	6922589	ABESBZVMKGDTEI-NUGSKGIGSA-N	384.785	4.895	50	40	GJGB	
COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)Cc1cccc2ccccc12	16194602	PKRWXDQAQXHHJS-FMCGGJTJSA-N	387.266	4.848	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1	8372280	UPCNOJISQCPJAK-OYKKKHCWSA-N	392.842	4.632	50	40	GJGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c(-c3ccccc3)nc12	16742542	WHTNDRVTMUZCRS-NBVRZTHBSA-N	396.425	4.995	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC	215986854	OCGGQVVOWOOLBR-QPEQYQDCSA-N	391.254	4.865	50	40	GJGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	408892567	COXXVCIMZDDGMW-GHRIWEEISA-N	379.416	4.628	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)c(C)c1	409237325	IBGYICLNQJCMDR-ZHZULCJRSA-N	389.499	4.848	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1	2302845	CFXVDONCHAVNFY-GXDHUFHOSA-N	377.425	4.524	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2ccccc2SC)c(SC#N)c1C	5222461	PHWWDUQJJNDXNE-UHFFFAOYSA-N	392.527	4.781	50	40	GJGB	
O=C(/C=C\c1cn(C(=O)CCCl)c2ccccc12)c1cccc([N+](=O)[O-])c1	8655433	RPOWZSJROZMWPI-HJWRWDBZSA-N	382.803	4.715	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F	33772758	GJWLXPPGUCRXFC-ATVHPVEESA-N	377.394	4.918	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(OC)cc3)cc2C(C)=CC1(C)C	208525393	GYSDTWAEBPXLBY-MFKUBSTISA-N	391.515	4.789	50	40	GJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	1054303	GOHYNSNUGZDOCW-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	16688315	MMPMIHGQBOMQKX-GZTJUZNOSA-N	394.858	4.605	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	408719249	ANHKTIOJOOVCHE-SRZZPIQSSA-N	376.909	4.511	50	40	GJGB	
O=C(N/N=C/c1cccc(F)c1)c1ccc(OCc2ccccc2Cl)cc1	408953122	OUNMJBLXZGLOFL-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	409362965	KPDWVUFZYZFEGL-JVWAILMASA-N	395.506	4.999	50	40	GJGB	
CCCCCC[C@H](CCC(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C	1857794484	LFZOFFKBWXBAPM-MRXNPFEDSA-N	399.604	4.735	50	40	GJGB	
COC(=O)N/N=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1	4526008	LDOMFBAWGYSWLE-JJIBRWJFSA-N	396.487	4.882	50	40	GJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4853680	CPFKIUXPWNRFIM-NTEUORMPSA-N	378.369	4.691	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cccc(Cl)c1Cl	5409182	HYZBUCWIZLOYGR-GFCCVEGCSA-N	389.267	4.663	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(O)cc1	33668647	BEGZBIAMTJJJKI-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1I	409394182	WVDUPWRDIKJNJB-QPEQYQDCSA-N	379.172	4.503	50	40	GJGB	
Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1	786958	BQXXVTAPOIJHPB-GOSISDBHSA-N	393.874	4.648	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1	985298	KKKHFEQAEDBSAI-BTYIYWSLSA-N	390.870	4.857	50	40	GJGB	
COC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	2634325	SBXHSJHHAZSALY-PTNGSMBKSA-N	380.400	4.765	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O	4678137	FKPNDZJHBWIELE-NTUHNPAUSA-N	398.260	4.802	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Cl)c1	4815525	IUFMGEQOBXTXCJ-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
C[C@@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682092	WLYIWDUYKMKZDR-QWWZWVQMSA-N	388.011	4.668	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12	409179128	NHPMDRSWFAMEMO-OVVQPSECSA-N	392.458	4.698	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c(F)c1)c1ccccc1	409232437	HTMIWCVHXJNZGD-LCJWNIEWSA-N	377.463	4.600	50	40	GJGB	
Cc1ccccc1COc1ccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1	409368637	FRKRADNRXFNUJI-FQEVSTJZSA-N	375.472	4.752	50	40	GJGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1nc2ccccc2s1	4545597	YSPNYUXQNXYYTC-BJMVGYQFSA-N	390.251	4.854	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCC1	4550803	VYVRTRJXZIKDMH-QGOAFFKASA-N	380.875	4.885	50	40	GJGB	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	30614771	OHKWJOHARRRUON-FQEVSTJZSA-N	392.842	4.551	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1	59447421	XSQQDIGBLDDRRF-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)c1C	408955974	ZGUBSKPHDXJJEP-CYVLTUHYSA-N	384.483	4.706	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1Cl	409245022	MGZUVNPMZGTKFZ-CFRMEGHHSA-N	383.854	4.579	50	40	GJGB	
Cc1c(/C=N/NC(=O)CC#N)c2ccccc2n1Cc1ccc(Cl)cc1Cl	1107001	BERDVHOGLZBKLC-BHGWPJFGSA-N	399.281	4.669	50	40	GJGB	
O=C(CSCc1ccccc1)N/N=C/c1cc(-c2ccccc2)oc1Cl	3067982	TWLNXAGVQVWANL-WSDLNYQXSA-N	384.888	4.984	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1	4175036	LQKGZMNCQSBHQF-DHDCSXOGSA-N	393.424	4.800	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(OC2CCCC2)cc1	4631732	BNQRBWKVFOOHAZ-HXUWFJFHSA-N	398.466	4.616	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cn1	4724825	SUWJUASZILMYIB-LFOKZAPISA-N	387.443	4.892	50	40	GJGB	
Cc1ccccc1/N=C/c1cc2c(cc1O)OC(N)=C(C#N)[C@@H]2c1ccccc1	15973975	TVDWYOQSWMULRX-VXYCCBPDSA-N	381.435	4.669	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1	28216983	WRHLWWYSCPJNNB-XQNSMLJCSA-N	377.513	4.727	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(C)cc1	59334639	WMRHBPHFPFSFEG-ZDLGFXPLSA-N	398.890	4.621	50	40	GJGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1	4505001	IQVZMPFUJYLCOU-URKJVIESSA-N	379.460	4.536	50	40	GJGB	
C/C(=N/NC(=O)CCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1	5380991	KTIITIFQTQEKGK-ITYLOYPMSA-N	391.515	4.678	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(F)cc1	5739710	KMALGUVYGXBACT-GZTJUZNOSA-N	379.460	4.518	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	21189983	UJQXEKXFRGMGOR-KPKJPENVSA-N	391.652	4.662	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	33480014	LLXNCNURKJBQSX-MOSHPQCFSA-N	398.418	4.509	50	40	GJGB	
CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Cl	101679845	DIPMPQQOEODXAT-AUWJEWJLSA-N	376.847	4.747	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1ccc(O)cc1	408604723	WLASWCOETFPXIV-UKTHLTGXSA-N	382.778	4.990	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](n2cnc3ccccc32)C1	575617038	MSQJHJUSAPBFPE-HOTGVXAUSA-N	375.563	4.524	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1C	5753707	PGBRPNRCTSWZLM-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(Cl)c1	11289887	ISJKZUYMOVMEJV-XNTDXEJSSA-N	392.798	4.844	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc(OCC)c1O	408853815	SOJWZVIKTVEEMH-UNOMPAQXSA-N	376.456	4.682	50	40	GJGB	
CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	1766586	HXOHPUJLUPFCCJ-XDJHFCHBSA-N	392.455	4.588	50	40	GJGB	
O=C(N/N=C\c1c[nH]c2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1	36024665	HHLPSPFZUGDXCY-AWXAQXEGSA-N	379.463	4.624	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl	408540939	CZDNOUDTHLHLSN-WPBJZHHJSA-N	398.846	4.761	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC	408802070	CORXJEUQJATYSW-NTUHNPAUSA-N	391.254	4.865	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1O	4508980	RVVGRDXCIGMXND-MHWRWJLKSA-N	382.847	4.718	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	13799514	AMYXYUQYPLHXHR-RVDMUPIBSA-N	379.416	4.519	50	40	GJGB	
CC(C)[C@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20133514	DVKIHJKBCKWTCZ-HNNXBMFYSA-N	396.354	4.645	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	408735927	ZKOWZEUXLGGYNH-KPKJPENVSA-N	391.652	4.662	50	40	GJGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	409010373	KETADQOEQXMPLW-ZMOGYAJESA-N	395.890	4.797	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	59117163	GOYXJMCRHZNMFT-LCYFTJDESA-N	389.224	4.533	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c1	408778055	PNCROPLOXSLHEP-MOSHPQCFSA-N	385.467	4.957	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl	408999730	XMJRDMQQATXNBE-UFFVCSGVSA-N	376.243	4.758	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)N1CCCC1	409372853	OSQYARGJASXQPC-LFIBNONCSA-N	384.838	4.587	50	40	GJGB	
O[C@H](CCl)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31	2273046	FQHLSJGZUNDOTA-GCJKJVERSA-N	386.967	4.982	50	40	GJGB	
CC(C)Oc1ccccc1/C=C(\C#N)c1nc2ncc(Br)cc2[nH]1	4676420	WTESDHCJDINZNF-NTUHNPAUSA-N	383.249	4.572	50	40	GJGB	
O=C(O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	4901314	IRZWHILMNSFEAF-UHFFFAOYSA-N	389.388	4.703	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	4962265	BINYGTKSXNMJQH-DHZHZOJOSA-N	376.199	4.756	50	40	GJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	59336099	NYILQJNXVDEDKS-GHXNOFRVSA-N	376.199	4.756	50	40	GJGB	
CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nnc2ccccn12	96114750	PZONTKZYFUMIDH-CVEARBPZSA-N	392.594	4.647	50	40	GJGB	biogenic
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1	408800797	PLIPISSEQFGMEU-SDNWHVSQSA-N	391.358	4.848	50	40	GJGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1	408958352	YAELRLMEPWRPKS-XIQLWFOPSA-N	386.879	4.885	50	40	GJGB	
CCCc1[nH]nc2c1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2	4450398	PEVNNSNSOUXYLU-NRFANRHFSA-N	397.482	4.708	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(C)c1	4502028	XUIBCKXZHQBYEF-MOSHPQCFSA-N	390.483	4.548	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1Cl	5125947	ANONOGRPBHEFPR-OAHLLOKOSA-N	383.238	4.602	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc2c(c1)OCO2	408545118	ZDKRWFFLCKAYBD-GRSHGNNSSA-N	386.407	4.585	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408897456	SEWICPWHGXVCRK-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1Cl	1106587	YRBAOCIWAWRHOC-KPSZGOFPSA-N	378.042	4.770	50	40	GJGB	
COc1ccc([C@@H](Br)[C@H](Br)C(=O)C(C)(C)C)cc1	1593866	BTDBQRMHANTBQI-NEPJUHHUSA-N	378.104	4.510	50	40	GJGB	
CCCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	2176394	DKJPPDYXOUTDES-WSDLNYQXSA-N	379.287	4.865	50	40	GJGB	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12	3162133	QDQXMZMWQUNAML-YSGZUTGPSA-N	390.483	4.895	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1	23410516	PCXZFQUTIXHGDM-HKWRFOASSA-N	382.419	4.760	50	40	GJGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1	58900722	YXNGZECTAUYOOI-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3Cl)c2)cc1	59410824	AUWNRDOLCZGCGH-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CCCCC/C(C)=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	5003101	PIFRFTZTNAXRAH-PQBXMXABSA-N	379.504	4.620	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(OCC)cc1	10475853	IVOQRRYHRFCWGD-KOEQRZSOSA-N	390.483	4.720	50	40	GJGB	
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@H](c4c(I)cccc43)[C@@H]12	104286197	CLNJDPHWYNPRTG-NPQJPKDJSA-N	377.052	4.503	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408735517	UAHZXMYBVCTSRQ-AWNIVKPZSA-N	391.254	4.865	50	40	GJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccncc2)cc1	408848742	SXYAZEGLJIXTFP-ONUIUJJFSA-N	380.451	4.612	50	40	GJGB	
O=C(N/N=C\c1ccc(N2CCCCCC2)o1)c1cc2cc(Cl)ccc2o1	409022135	FVTKOAIKXZESCS-XKZIYDEJSA-N	385.851	4.824	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1	409240628	QTJWIOVUPBLNAL-PYCFMQQDSA-N	394.474	4.508	50	40	GJGB	
C=CCn1c(C)c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409393426	XEIKHIUCBGHBRF-JVWAILMASA-N	396.494	4.851	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	20197678	LXPCXWMAYLYLTR-LFVJCYFKSA-N	375.472	4.647	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	26123926	WZRSYZZIOMCHMI-MFKUBSTISA-N	392.430	4.567	50	40	GJGB	
COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)cc1	83937536	LRZGIWQOUOSJEV-DEDYPNTBSA-N	385.448	4.667	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	408590921	RKSAQOKYBOZSFX-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
O=C(NN=C1CCCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1	408872633	HUCDBNPEDYQKKA-UHFFFAOYSA-N	375.516	4.685	50	40	GJGB	
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@@H]3C=C[C@H](c4c(I)cccc43)[C@@H]12	104286205	CLNJDPHWYNPRTG-CQSLXQFASA-N	377.052	4.503	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OC	408814550	FZFUSEWMGOJBMC-ATVHPVEESA-N	380.419	4.507	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408856633	QREICBDBRIRFMB-XFXZXTDPSA-N	376.243	4.732	50	40	GJGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc12	408919307	WFELWGYDMKWWTL-CFRMEGHHSA-N	399.406	4.679	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3F)cc2)NC(=O)N1	409367911	JONXXNQTGWKSAD-LJQANCHMSA-N	379.435	4.582	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1O	4859583	PRTBJBBGKYRMLN-NVNXTCNLSA-N	394.452	4.606	50	40	GJGB	
CCCCn1c(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc(C)c1C	32801718	NGHYXGROLQJXQQ-OAHLLOKOSA-N	395.532	4.623	50	40	GJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	408743858	VTLHOKNBKSTQEP-GHXNOFRVSA-N	391.652	4.657	50	40	GJGB	
COc1cccc(/C=C2\CCC3=C2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)c1	705945	BMULKBUGYHQHDK-BVZCLVNKSA-N	386.451	4.643	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC(F)F)cc1	5782707	ONWSAPVQDWIAEX-ZVHZXABRSA-N	390.430	4.505	50	40	GJGB	
CCCSC1=C(C#N)[C@@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1	27026671	PXMPPDGWDPNZMX-HXUWFJFHSA-N	390.512	4.559	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1	59435318	DQTWLJYVPHSDRX-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408816669	UKIIDEWTAPECTC-AQTBWJFISA-N	392.430	4.673	50	40	GJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1cccc(C(F)(F)F)c1	408851811	GIGQOLBYGLHFIL-MLPAPPSSSA-N	381.737	4.886	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CC1	1249109	VUHDDSSYNYGIJA-LFIBNONCSA-N	375.859	4.529	50	40	GJGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl	2756951	IFTBAPNCFAIRLV-LSHDLFTRSA-N	379.287	4.954	50	40	GJGB	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1	5322023	LAZXVTBLGKMVFI-LJQANCHMSA-N	398.304	4.513	50	40	GJGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(Br)cc1	59386022	ADYMLAQEZGOOCP-YBFXNURJSA-N	397.725	4.735	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C(F)(F)F	59473062	ZURWMHNDKFHLRB-WMJRALALSA-N	386.826	4.990	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	59473296	RKYRTUUSGUDSTM-HADWXUJASA-N	376.909	4.760	50	40	GJGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408754685	LFABIMNHJGCUSA-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)c2ccccc12	408775569	ISMLLIDKFZOUDZ-SDXDJHTJSA-N	385.467	4.850	50	40	GJGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408775725	RSYQTCDZRDIDSQ-YHYXMXQVSA-N	394.214	4.593	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccncc1	408830900	TZHFSBKHGKTHIU-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1	409011368	GHNNTQITGNTKCX-UCQKPKSFSA-N	396.878	4.993	50	40	GJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(C(F)(F)F)cc1	1474845	KINGOIKAVUWAAT-ZVBGSRNCSA-N	395.431	4.558	50	40	GJGB	
Cc1c(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)sc(N)c1C#N	3193662	IIAHBLOUPZBAMG-BRJLIKDPSA-N	384.464	4.581	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc(Cl)cc1	4083811	XYUIESIFZASKRX-PCLIKHOPSA-N	387.870	4.977	50	40	GJGB	
O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1Cl)c1ccc(Cl)cc1	4194507	NZYCNGAIQPSJCL-MSOLQXFVSA-N	378.280	4.806	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)cc3)n2)cc1	5007565	AEKAHBQSPXQALP-GZTJUZNOSA-N	376.437	4.808	50	40	GJGB	
CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	98048017	TYGRXDQHYMZZJP-QFIPXVFZSA-N	377.488	4.836	50	40	GJGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1	408862492	KKBGTZAJPVPTOW-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408880948	KSONJUUYRYCGSA-NTEUORMPSA-N	390.361	4.658	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc([N+](=O)[O-])cc1	409354515	GTOXUBUOOSLNBZ-LCYFTJDESA-N	379.303	4.966	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1-n1cccc1	4063551	YFYLBAKDJKPGHR-NLRVBDNBSA-N	395.462	4.820	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccco1	6222390	VPMUXHRHBJZUTM-LDADJPATSA-N	392.842	4.735	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(Cl)cc1	59435329	KXBKQDGGYYZWAQ-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1csc(SCC(=O)/C(C#N)=C2/Nc3cc(Cl)ccc3S2)n1	102818731	NBQVLHKIXHDNDQ-UVTDQMKNSA-N	379.919	4.719	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408826958	UJAIKQXOVBLFRW-LCYFTJDESA-N	389.224	4.533	50	40	GJGB	
Cc1cc(C)c2c3c(sc2n1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O3	663544	GGVKCJNJZYDREQ-CQSZACIVSA-N	385.851	4.924	50	40	GJGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc3ccccc3o2)sc2c1CCCC2	5247562	CQQZKJTUNPYNQC-SEYXRHQNSA-N	393.468	4.921	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	6959265	WHRWFRVQTRNBQE-YBEGLDIGSA-N	382.803	4.723	50	40	GJGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc(OCCC)cc2)c2ccccc21	20197554	ONYUKRBDNVVBMC-LFVJCYFKSA-N	375.472	4.688	50	40	GJGB	
Nc1cc(-c2ccccc2)sc1C(=O)N/N=C1/CCCCc2ccccc21	38332092	HELYJJMBBMXJBP-CLCOLTQESA-N	375.497	4.858	50	40	GJGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccccc1	62715000	UELZLVMHTWLZEI-BQYQJAHWSA-N	381.653	4.815	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21	100327249	DTJLSPQFKVIQBJ-NVNXTCNLSA-N	376.847	4.747	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2[C@H](C)CC1(C)C	208302060	BYUBKJCPQBROQJ-DTVDJLOLSA-N	379.504	4.571	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(N)=S	408542807	KYBNZPVVOXWNDC-IZZDOVSWSA-N	393.346	4.599	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccco1	836094	IXEBVMIEWDPKFH-FSJBWODESA-N	377.831	4.700	50	40	GJGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1	3088554	ACVAJRCVDZULBW-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc(C)c1Cl	5539985	AXANGGPBRXWSBN-ODCIPOBUSA-N	385.678	4.793	50	40	GJGB	
O=C(N/N=C(\CCc1ccccc1)c1c[nH]c2ccccc12)c1cccc(O)c1	18194451	HGDOGRRDKZNXPZ-WNAAXNPUSA-N	383.451	4.640	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3ccccc3o2)o1	59304470	MYXHOGUXJXFOSZ-WSDLNYQXSA-N	389.367	4.673	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	2401617	NMXTZBDKENPPOQ-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	5022294	GXJOQSCRIISCEI-YVLHZVERSA-N	376.437	4.669	50	40	GJGB	
CCn1c2ccccc2c2cc(N/C=C(/C#N)C(=O)NCc3ccco3)ccc21	5483010	PVCFHHJWMKLZKI-PEZBUJJGSA-N	384.439	4.543	50	40	GJGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCCC(C)C	101802615	LPZWKURZGPWAPD-VZUCSPMQSA-N	385.416	4.647	50	40	GJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1	408747467	OIYYBSWMNGAQAP-UCQKPKSFSA-N	383.495	4.934	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl	408790408	VZSZJJHMHBEZJZ-FOWTUZBSSA-N	382.847	4.849	50	40	GJGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(N)=O)cc1Cl	408877828	YTGIPDHPKHIVCK-LICLKQGHSA-N	376.843	4.773	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccccc1	2232430	FKCSRGUSIGFHED-KRWDZBQOSA-N	381.888	4.559	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1	2434083	GEWCKUQABMKFJR-QGZVFWFLSA-N	399.878	4.699	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC(C)C	5815445	RLPDNGPBOPZFRW-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
C[C@H](Br)C(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1	1593254	NTOOIIIBTHLCIJ-IRXDYDNUSA-N	388.349	4.665	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	4794847	AKZZZDBVYOODMH-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
Cc1cccn2c(/C=C(\C#N)C(=O)NC3CCCCC3)c(-c3ccccc3)nc12	6657792	HIOGGBCYZAGXRT-XDJHFCHBSA-N	384.483	4.666	50	40	GJGB	
Cc1cccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	6968451	SHCOQLXPZMVRCE-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	44835431	AONKCXIAZYYGLW-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
CCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC	408532838	PJAGVAZXVMCTJF-UQQQWYQISA-N	390.483	4.720	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1	408857322	FVGSCUUKEGQRNE-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1	409361362	GZUJGLPQABTUJH-JVWAILMASA-N	395.506	4.999	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Br)cc1	3162138	JRIYKXYWDSQJEB-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	3262919	HZQJYCNDKGGEBH-KPKJPENVSA-N	380.753	4.913	50	40	GJGB	
N#C/C(=C\N1CCC(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1	5031039	IKDCYCSYDDHSSP-KNTRCKAVSA-N	379.891	4.641	50	40	GJGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2s1	33718283	FMFPSWGHLBOTHN-ZVBGSRNCSA-N	393.346	4.592	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Cl)cc1OC	409220662	CZBVLGPAJQVSLR-XGHPXPSOSA-N	384.863	4.532	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(C)o1	6937600	DHGBGYXJUZUGAR-FSJBWODESA-N	395.846	4.566	50	40	GJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208440825	ARWRBEKKIJPEFP-ZMOGYAJESA-N	397.906	4.501	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2OC)c1C	408964184	BPNGIBBLRFGBLW-MFKUBSTISA-N	389.499	4.737	50	40	GJGB	
CCOC(=O)COc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	9187401	BAHMUKYSHORUNA-GHRIWEEISA-N	397.434	4.722	50	40	GJGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21	408758292	IKINZRLYCNJKRK-UVTDQMKNSA-N	394.272	4.969	50	40	GJGB	
C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)c1nc3ccccc3nc12	4185798	WWOOALUAGOTYDL-JQAFLVLXSA-N	396.126	4.555	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccnc1	4711040	IOZOWUTWYZPKGG-GZTJUZNOSA-N	376.847	4.688	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(F)c3)CC(=O)N2C1	4923498	LPBGVYYKDRLMQU-GOSISDBHSA-N	393.487	4.608	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1	7165243	BEDIAITWIJKAIQ-KGVSQERTSA-N	377.227	4.556	50	40	GJGB	
O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1	102197660	ISKWBCVIVDSZNF-AGCBMJJTSA-N	394.265	4.624	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)N1CCCC1	409371653	JDAYPFOLXBXTLM-XQNSMLJCSA-N	382.463	4.948	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2ccccc2c1	13442491	UTJVZQIQJAVXNH-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
COc1c(Br)cc(/C=C(/C#N)c2cccnc2)cc1Br	31853047	ZWJBQAQOHVCMBN-XGICHPGQSA-N	394.066	4.679	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1O	408541707	CVGJMFWCALCSTQ-AWNIVKPZSA-N	398.260	4.721	50	40	GJGB	
Cc1ccccc1COc1ccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1	409368638	FRKRADNRXFNUJI-HXUWFJFHSA-N	375.472	4.752	50	40	GJGB	
N#Cc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	3242309	DPZKEJFTETYKBT-ZVHZXABRSA-N	382.448	4.599	50	40	GJGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4567347	KJTHDYVSJRVUSM-FMIVXFBMSA-N	384.367	4.973	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(C)c1	6044246	MRDWJRSMQSAVKY-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c2ccccc2cc2ccccc12	58900068	GZDFPLMSPPCACT-QFIPXVFZSA-N	384.435	4.638	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	209606010	FUGSLLXGWUQHSQ-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1	408795157	KIGUMVJAVBACCK-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(C)cc3s2)cc1	1912693	IHZHTKNLIFRDBE-FOWTUZBSSA-N	377.469	4.939	50	40	GJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	3081927	SZBDFUIUDSYIPT-CVKSISIWSA-N	395.462	4.699	50	40	GJGB	
N#C/C(=C\c1cc(Br)cc2c1OCOC2)c1nc2ccccc2s1	5025267	SXYIIPFOLLGRPI-LFYBBSHMSA-N	399.269	4.989	50	40	GJGB	
C[C@@H](Br)C(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1	6491405	YYXKJOTWBKSNBS-QGZVFWFLSA-N	388.349	4.667	50	40	GJGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1C(C)C	7386546	WUXJWAKLIAPAQF-PCLIKHOPSA-N	393.531	4.881	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C)c2C)c1	28216268	HLNRKQXAAABZBH-AFUMVMLFSA-N	389.499	4.549	50	40	GJGB	
CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cs1	44028187	RCZUGCPPJHZJGS-XFFZJAGNSA-N	394.283	4.613	50	40	GJGB	
Cc1nc(-c2ccc(C(=O)N/N=C\c3ccc4c(c3)CC(C)(C)O4)cc2)cs1	408710783	KFWBCDAIZXWLOZ-FMCGGJTJSA-N	391.496	4.596	50	40	GJGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccco1	409133973	VDUUBLPVAUMXBS-NSHDSACASA-N	379.268	4.858	50	40	GJGB	
CC[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cccc(Cl)c1	2100597	IKSOKXALVMDWFU-BBJIBYMTSA-N	389.933	4.971	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1OC(C)C	4525080	RUKSNQGMZGQPSQ-MHWRWJLKSA-N	384.863	4.990	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CC[C@H](C)C2	4860219	ZZSMYUYNWWDDIC-QXPQOBGOSA-N	394.496	4.595	50	40	GJGB	
Cc1ccnn1-c1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	27569199	MDAIPFZEQLSHGH-UHFFFAOYSA-N	395.677	4.898	50	40	GJGB	
Cc1ccc2oc(-c3ccc(Cl)c(N4C[C@@H](C(=O)Cl)CC4=O)c3)nc2c1	45887305	PBVZDVNAWAWUBZ-LBPRGKRZSA-N	389.238	4.575	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1O	408788577	LHNLCUXCYLJCMS-CXUHLZMHSA-N	382.847	4.637	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408799304	YUPQUKYAAIMTKZ-FOWTUZBSSA-N	387.395	4.692	50	40	GJGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408877136	QEORDZCRHMHDPK-AHFCFELJSA-N	385.511	4.966	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409238458	DJXSCVOTIAQNOC-YSMPRRRNSA-N	385.442	4.901	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1	4712063	YMJFNBGNEKSNJW-WSDLNYQXSA-N	376.287	4.666	50	40	GJGB	
N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccccc1	6496100	YOYQCGUMBGZXEM-INIZCTEOSA-N	399.313	4.721	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br	408761128	CCQKBHXRKIPIQG-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
O=C(N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cccs1	409078609	IOXVDSGYIOSFHX-YDZHTSKRSA-N	380.513	4.685	50	40	GJGB	
C=CCn1c(C)c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21	409177505	GEKTZSDMBPFBLI-YZSQISJMSA-N	381.479	4.982	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	7156716	GWXOMGIEXBHFLB-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cccc(F)c2)cc1	19830850	QPXYFOGXBSQKIE-SBUREZEXSA-N	388.442	4.719	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccc1	58917344	ZKINKAQISHYLOI-GQBLCDNYSA-N	395.890	4.585	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1	59410712	GCNJVIGZADEWMT-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CC(C)n1c(CCNC(=O)CCCC[C@@H]2CCSS2)nc2ccccc21	96115756	ZLPQZRDYTDKZHF-MRXNPFEDSA-N	391.606	4.990	50	40	GJGB	biogenic
Cc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	408581083	UGQYFYABJDOYAX-HMMYKYKNSA-N	375.449	4.827	50	40	GJGB	
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1	1440645	UVAIUWKDBFCEDH-CIAFOILYSA-N	378.388	4.627	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2s1	4867029	XFWSNCDPIPJQMK-VZUCSPMQSA-N	385.242	4.852	50	40	GJGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1	6495159	VMKVAJABAZHTRG-INIZCTEOSA-N	399.859	4.520	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	6862037	FGFCRDTYUIYNNM-PTNGSMBKSA-N	392.798	4.844	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(F)c1	59379457	RHUBTGKSPDIFEN-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1O	408860740	DBLBBRFDMRTBSU-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
O=C(c1ccc(C(F)(F)F)c(Cl)c1)[C@H](Br)CBr	575360471	HYHRLECVYWPIAK-SSDOTTSWSA-N	394.412	4.700	50	40	GJGB	
CO[P@@](=O)(/C=C/c1ccccc1)[C@](O)(CBr)c1ccccc1	2352669	CCOABLICFLTEMZ-HLQAMWCQSA-N	381.206	4.822	50	40	GJGB	
O=C(CCl)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2	2573413	FBYLJHWXOTWIHV-UHFFFAOYSA-N	383.300	4.710	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1	4775463	HIFWGUZDEHRVLR-QRVIBDJDSA-N	396.830	4.541	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1	6407075	LNYMWADDPXFVIX-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(O)cc1	408799130	YDTFPXAZYILHND-QGOAFFKASA-N	388.398	4.656	50	40	GJGB	
CSc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1	408905310	WZSJHQACKWTXIE-ZDLGFXPLSA-N	378.295	4.635	50	40	GJGB	
N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1cccs1	409125932	KUDHTBUPFVRRJG-LBPRGKRZSA-N	390.917	4.552	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1Cl	6812632	SLPVFGDGGOUYNZ-VBKFSLOCSA-N	376.847	4.688	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	7159138	XKJFEXVSCLWCOW-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1	408784097	RHMGPUJVHYXAQJ-JZJYNLBNSA-N	390.531	4.925	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1	2185945	KXUSQCFFGLQWAM-XWNAQQGPSA-N	383.319	4.907	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NC1CCCCC1	4680507	GLOOVHOERRLVIG-CPNJWEJPSA-N	378.447	4.761	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccccc1	83293231	TXMUGLQJQGQYOS-XYGWBWBKSA-N	388.467	4.737	50	40	GJGB	
O=C(CCl)Nc1ccccc1SCc1cc(Cl)cc2c1OCOC2	1572765	IANNOCKBDJSXHQ-UHFFFAOYSA-N	384.284	4.676	50	40	GJGB	
O=C1c2ccccc2C[C@@]1(Br)[C@@H](Br)c1ccccc1	1745034	JUJMPSGRVCAFPK-GOEBONIOSA-N	380.079	4.695	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	657535	LXTSXXIUJSEWKT-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@@H]([C@H](C)c2ccccc2)C(C#N)=C(N)O3)c(C)s1	987160	KQGNNJYOJBLPNH-PXAZEXFGSA-N	376.485	4.729	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1	3080559	WVHQQAXKGVZPCK-KOEQRZSOSA-N	388.467	4.818	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C	8812255	HFMFWQBUJOIMKI-WYMPLXKRSA-N	383.854	4.959	50	40	GJGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(OCC)c1O	59249398	AJRYYAIHPPUWBA-SSDVNMTOSA-N	393.270	4.590	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)c1	59534498	CKQVBJPPEUVADO-UDWIEESQSA-N	389.524	4.996	50	40	GJGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccc(Cn3cc(Cl)cn3)cc1)C2	101592071	YGYFFKUTSVRNMU-PVUQGROFSA-N	384.911	4.517	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)cc1	207855839	XOFVHYWGFVIQGZ-MNDPQUGUSA-N	375.472	4.621	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408796322	ORFWRHLNNPFQQX-NTUHNPAUSA-N	391.254	4.865	50	40	GJGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccccc2c1-c1ccccc1	1389186	COZBWXMLMYXUOO-OEAKJJBVSA-N	384.395	4.507	50	40	GJGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Br)cc2C)C1	4593071	MMOYSKQWQBVXNT-OSGFXRFRSA-N	391.309	4.541	50	40	GJGB	
COc1ccc(C(=C(C#N)C#N)C(Br)=C(SC)SC)cc1	5675732	FHMNJZWGYKJPIM-UHFFFAOYSA-N	381.320	4.786	50	40	GJGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1	9015210	IKCLNVFQVIFBFJ-AUEPDCJTSA-N	398.253	4.629	50	40	GJGB	
N#C/C(=C/Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1	17860776	XJCLVGZUDBFXAW-GDNBJRDFSA-N	386.782	4.610	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	28356488	POHKFBJXCGOHJH-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CBr)c2)cc1	35605351	YOXCGXISWULJFK-UHFFFAOYSA-N	389.293	4.570	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1	208208168	SIFYKZSWGYBHBP-UWCCDQBKSA-N	389.499	4.963	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1	408900606	WSPOWVPTBZWNRM-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)O	2774252	BXCCQTKWOUKAOD-GHRIWEEISA-N	384.391	4.723	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc(Cl)ccc1O	5864143	DNXMTYSCCPXNRY-UFFVCSGVSA-N	375.211	4.723	50	40	GJGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cccc(F)c2)cc1	19830853	QPXYFOGXBSQKIE-UZUQRXQVSA-N	388.442	4.719	50	40	GJGB	
N#CC(=C/c1cccs1)/C(O)=N/c1ccc([N+](=O)[O-])cc1Br	33618587	FJOKPQOZUYSIQF-TWGQIWQCSA-N	378.207	4.614	50	40	GJGB	
Cc1ccccc1NC(=O)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1	35329799	PRWRJRBPWPPPAV-CFRMEGHHSA-N	386.377	4.960	50	40	GJGB	
Cc1cc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2cc1C	876534	QQWLGLLSYRCEJA-QFIPXVFZSA-N	393.446	4.516	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc2ccccc2cc1O	1905060	FJCJWVMLRDZDBK-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cccc(Cl)c1	5129948	FCKHZHVAFIFZBU-BUVRLJJBSA-N	375.859	4.988	50	40	GJGB	
O=C(COc1cc(Cl)ccc1Cl)NNc1ccccc1C(F)(F)F	32854526	AMIDRJJAMJPTQX-UHFFFAOYSA-N	379.165	4.534	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1	58536766	LRBCTPPGMYPSSY-ZHZULCJRSA-N	390.483	4.630	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)c1	59473154	OYEYBTWVSXIPSI-AUEPDCJTSA-N	380.435	4.706	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1Cl	409013110	MMYVJKCEBJHMNU-BTXKWLAHSA-N	395.286	4.700	50	40	GJGB	
Cc1c(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc2n1Cc1ccccc1F	409369315	KNBKXVGIXHXMEJ-XMHGGMMESA-N	387.458	4.667	50	40	GJGB	
CCCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	1242051	QHKXTBXJCVOJOU-LJQANCHMSA-N	390.874	4.696	50	40	GJGB	
COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1	3085267	VLJDGWXNJSXCQR-FXZATJRASA-N	398.506	4.768	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	3616428	UYIFSMJIXOPJNZ-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1	5753079	LCKABJMQALFZLZ-LJQANCHMSA-N	394.814	4.691	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1	208447468	YOGCFWSKVFEICF-WQRHYEAKSA-N	387.483	4.873	50	40	GJGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccccc1C(=O)O	1667949	AIYBTDBOUNYLLB-LPYMAVHISA-N	379.287	4.728	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223545488	YFBDSTVBTNLLJX-SCELWYEFSA-N	393.531	4.960	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc(Cl)c(Cl)c1	806324	WZUMCLJFUFLVAQ-ZDUSSCGKSA-N	389.267	4.663	50	40	GJGB	
COC(=O)N/N=C(/C)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	1387547	LCDVMHPKKQTXTE-AFPJDJCSSA-N	387.745	4.626	50	40	GJGB	
O=C(O)c1cc(-c2ccc(N(CCCl)CCCl)cc2)nc2ccccc12	1747660	UPVCPZWUVMYUHQ-UHFFFAOYSA-N	389.282	4.884	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC	2785265	RDVBSBBXMYPKIG-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)c1	4723127	HFHVJEZIBQYTOU-BOPFTXTBSA-N	386.407	4.807	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1cccnc1	5409209	NZURDOJFGZURPP-HXUWFJFHSA-N	397.482	4.738	50	40	GJGB	
Cc1ccccc1-n1cccc1/C=N/NC(=O)CSc1ccc(Cl)cc1	6969392	UTCPOAJQADEQNI-LPYMAVHISA-N	383.904	4.682	50	40	GJGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OC(C)C)cc2s1	20133028	OZPRCQDWIKYURZ-GFCCVEGCSA-N	385.327	4.976	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H]1c1nc2ccccc2[nH]1	42061174	OZVHMZKZTNZZDF-PBHICJAKSA-N	375.563	4.941	50	40	GJGB	biogenic
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	59281546	ZAXWRIDMMDMQJJ-XMHGGMMESA-N	378.472	4.982	50	40	GJGB	
C[C@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682091	WLYIWDUYKMKZDR-IUYQGCFVSA-N	388.011	4.668	50	40	GJGB	
Br[C@@H]1[C@@H](S[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100696903	SSHGJJMUKDEIMS-SLSSAEIFSA-N	380.189	4.844	50	40	GJGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2c1	408729158	YECQHYTZWNRGAJ-WYMPLXKRSA-N	389.842	4.819	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	408854717	BPFUNABZYAFOQJ-BENRWUELSA-N	378.259	4.978	50	40	GJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/C3CCCCC3)cc2)n1	5164304	PQLDTGFIZFHDBI-LPYMAVHISA-N	382.533	4.682	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2ccc(SC)cc2)c(SC#N)c1C	5222825	RPNNVDVCYKCEDP-UHFFFAOYSA-N	392.527	4.781	50	40	GJGB	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(C(C)(C)C)cc1	21964303	OXLUKWHQTAKXEB-CIAFOILYSA-N	389.293	4.606	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)cc1	408949830	CLSZIBOEBHVLGF-MNDPQUGUSA-N	384.483	4.651	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc2ncccc2c1	408968186	XCYQVPPIMWGUFR-MYYYXRDXSA-N	383.455	4.798	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1	409067927	QTQOZXGCCLEVSR-YBEGLDIGSA-N	383.854	4.933	50	40	GJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2801898	ZQJDTRKCTAXKOY-YRNVUSSQSA-N	395.724	4.813	50	40	GJGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1C(=O)c1ccccc1	32901632	PVNVTYYEDYHOIE-UHFFFAOYSA-N	384.357	4.693	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC	59117559	OSYYHCNCGQDQHJ-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	59297453	NPHMIUBLHCXHOS-NTEUORMPSA-N	385.807	4.583	50	40	GJGB	
Cc1ccc(C(=O)/N=C2/C(C(C)C)=C(Cl)C(=O)[C@](C)(Cl)[C@@H]2Cl)cc1	101181990	ABIPCUBDUAJZSG-NFRNYFIHSA-N	386.706	4.913	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)Cn1cnc2ccccc21	408691738	OHRMGKOSHOSDQP-ZROIWOOFSA-N	388.358	4.951	50	40	GJGB	
Cc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1[N+](=O)[O-]	409367485	BJBQOTUNEKBFQI-ZSOIEALJSA-N	390.180	4.572	50	40	GJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409382164	LQJSAGURYCHFOI-FOKLQQMPSA-N	394.302	4.626	50	40	GJGB	
O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H](Br)CBr	575357788	XKABCYSDWHSHDR-ZDUSSCGKSA-N	386.058	4.834	50	40	GJGB	
CCCc1n[nH]c2c1[C@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2	1438018	BZMGMELHAJNMDT-NRFANRHFSA-N	380.451	4.887	50	40	GJGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1	2302670	GXFHBNQYVOXCPD-FOWTUZBSSA-N	375.453	4.866	50	40	GJGB	aggregator
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)c1C	4083445	JMHVRJHUDDRCEE-UDWIEESQSA-N	389.524	4.996	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(Br)c2)cc1	4210181	CHSZDKAXLCWLPS-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)s1)c1cc2cc(Br)ccc2o1	408857631	OYTLLBCLQIFDRM-IDUWFGFVSA-N	383.654	4.674	50	40	GJGB	
O=C(c1ccc(SC(F)(F)F)cc1)[C@H](Br)CBr	575361387	ZOJMSQNBOLDWCL-MRVPVSSYSA-N	392.034	4.640	50	40	GJGB	
CCCCCC[C@@H](CCC(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C	1857794483	LFZOFFKBWXBAPM-INIZCTEOSA-N	399.604	4.735	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@H](Cl)c2ccccc2)sc2c1CCCC2	844842	JQYDKSAHCFSFAM-MRXNPFEDSA-N	377.893	4.722	50	40	GJGB	
CC(C)c1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	3082214	UTFXHCSGTADWKA-SSDVNMTOSA-N	392.286	4.596	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	409362623	RZGCIDURXZGFKN-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1	409369257	JGUSDWFEUXMKQM-LJQANCHMSA-N	395.503	4.747	50	40	GJGB	
CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2ccco2)c1O)CCCC3	4824948	QHVRFPINKWDSGU-FSJBWODESA-N	380.444	4.672	50	40	GJGB	
Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1	6646004	YEAAPAXSZFGSPG-OVCQRUIESA-N	399.425	4.809	50	40	GJGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1nc2ccccc2o1	409071282	GLGKAKTXKMWROE-VZUCSPMQSA-N	389.194	4.662	50	40	GJGB	
O=C(CCCc1ccccc1)N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl	2316189	VSEJGNUXBJWTQA-SYVPYPDPSA-N	375.299	4.627	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC	4514965	AWEQBASBOUEOLR-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccccc1F	6388901	QCMJDDUUAIMLDG-MFKUBSTISA-N	387.414	4.542	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1	8535276	GVBHRXZGOOHQAG-OVGFGYAMSA-N	387.395	4.639	50	40	GJGB	
CCC(C)(C)C1CCC(=NNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1	17080908	PITHIYHZMCDILY-UHFFFAOYSA-N	395.551	4.866	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	28216271	KAVQPRSTJHECIB-AFUMVMLFSA-N	389.499	4.549	50	40	GJGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OCCC)cc1	59502293	UCEBHTDDZPVQJI-KOEQRZSOSA-N	388.467	4.957	50	40	GJGB	
C[C@@H](Sc1ncnc2sccc12)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104796807	PPRRNPNWEFDLDW-RTEFUZQYSA-N	396.522	4.694	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)c(C)c1	216046634	WLAAZSFKPHFGOY-OYKKKHCWSA-N	382.504	4.571	50	40	GJGB	
CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1	225734132	KALGWNWCJAJFMN-SFHVURJKSA-N	386.330	4.630	50	40	GJGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3cc4ccccc4cc3O)ccc2c1	4587108	ZHHAQQKJBZPPNM-MFKUBSTISA-N	384.435	4.861	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O	6341859	YVXFQHKQRNHJLE-VZUCSPMQSA-N	396.752	4.619	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c1	6583506	YYNDYGRCQKJFAX-DEDYPNTBSA-N	384.435	4.820	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1C	408748013	XBGNBLSKNJMGIU-UCQKPKSFSA-N	383.495	4.934	50	40	GJGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408877143	QEORDZCRHMHDPK-PMMUTSNFSA-N	385.511	4.966	50	40	GJGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl	408969164	IJXFMTJDICTDNU-UWVJOHFNSA-N	394.239	4.880	50	40	GJGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Cl)cc1	409373997	WNBXGBYGNVWWKB-ZVHZXABRSA-N	380.875	4.973	50	40	GJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1c[nH]c2ccccc12	2675502	TXWZWGJBHLMWOL-FSJBWODESA-N	390.270	4.784	50	40	GJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C	5546977	XPZWHQDXUOWDNZ-CVKSISIWSA-N	395.462	4.699	50	40	GJGB	
CC1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)CC1	5855149	CSIYKZNGMCGJJE-FOWTUZBSSA-N	399.288	4.875	50	40	GJGB	
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCl	60122387	XDHVKWVHTCINMB-RBUKOAKNSA-N	377.997	4.545	50	40	GJGB	
O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(Cl)cc2)CCCCC1	1146978496	NDWHCNAMIBNYEU-UHFFFAOYSA-N	396.878	4.735	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(F)cc1	2759641	WMUPOEANBHSABT-HYARGMPZSA-N	399.469	4.725	50	40	GJGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OC(C)=O	5023218	UOSYVBBRNKKKNZ-YVLHZVERSA-N	376.437	4.808	50	40	GJGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1	5490067	JXIAPMWQLRYTGZ-MRXNPFEDSA-N	394.887	4.670	50	40	GJGB	
CCCCCC[C@H]1C=C[C@H](CCCCCCCC(=O)O)[C@H]2C(=O)OC(=O)[C@H]12	86050905	ZRBIDSORDFCGOL-RAUXBKROSA-N	378.509	4.890	50	40	GJGB	
CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	98048016	TYGRXDQHYMZZJP-JOCHJYFZSA-N	377.488	4.836	50	40	GJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408819599	ZOBPVVINYRJKFY-CLXYIWAZSA-N	398.890	4.749	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)c1	409167403	IPMDRKFSHPMYTB-ZVHZXABRSA-N	390.439	4.584	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409248248	CZVYLUPMTSFUPG-WSDLNYQXSA-N	392.286	4.561	50	40	GJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	59513546	JSUCHPBNNFXJIL-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
CCOc1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1	59515786	SVYSARUHRAUKLI-UHFFFAOYSA-N	387.524	4.801	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1	408859140	TXVYAZSKKJRRNT-UUYOSTAYSA-N	376.287	4.666	50	40	GJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)cc1	409364709	OVQSEILFNDHTJV-WGOQTCKBSA-N	381.479	4.691	50	40	GJGB	
CC1(C)OC(c2ccccc2)=C/C(=C/C=N/NC(=O)c2ccc(Cl)cc2)O1	4853896	OLOWRVJLNWGSMB-WVVFEJFTSA-N	382.847	4.764	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	6832363	FGMDCISFEQNRAO-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
Cc1ccc2oc(-c3cc(N4C[C@@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1	45887524	JLQIIAIQNIDAEY-NSHDSACASA-N	389.238	4.575	50	40	GJGB	
CCOC(=O)CN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	257173783	WYZBJQGOIVAIIY-FBMGVBCBSA-N	397.887	4.647	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccnc2)c1C	408861005	KRAGGSVNMQGVMH-WOJGMQOQSA-N	390.874	4.997	50	40	GJGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	910183	QTTLHLLWCLKMCS-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	941556	MKQPNDMWKUUGFY-GMJSKMFWSA-N	396.874	4.728	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1Cl	59435285	UICAMFUWDIRNAN-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1c(/C=N/NC(=O)Cc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408591839	VNYUMKGTWNWPLT-JVWAILMASA-N	399.469	4.830	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1	409237615	ANRNDMLAUURSEF-HKWRFOASSA-N	389.499	4.794	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)n1	409383609	YCGPWBIWZBILTR-LDADJPATSA-N	397.438	4.501	50	40	GJGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1Cl	6441643	XUCXQJMQNWAXCC-OAHLLOKOSA-N	384.888	4.621	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	6966523	FHXAXJQPLLVTPC-LPYMAVHISA-N	383.904	4.682	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(C)c1OCc1ccccn1	36832221	MFMOEJSRCCMVKA-XSFVSMFZSA-N	389.499	4.633	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	59501737	HJEOVNAZTFTCRE-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccc3ccccc3c2)cc1	408727194	PDTHSMRCGZUVHT-XQNSMLJCSA-N	378.497	4.622	50	40	GJGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408922837	GRXOQAGEWYUNGN-RUDMXATFSA-N	382.228	4.817	50	40	GJGB	
CC(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	409009338	DJYKYLFRGXVKRL-WSDLNYQXSA-N	397.272	4.651	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccccc1	985283	GVRDPXFKHXFRDH-FOIQADDNSA-N	376.843	4.548	50	40	GJGB	
COC(=O)N/N=C/c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12	2209282	FMGYIZPCVHBOCG-ZVHZXABRSA-N	393.487	4.842	50	40	GJGB	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Cl	3175132	GQIDFVUUOUEDQL-DTVDJLOLSA-N	378.859	4.925	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1	3341991	YOLIYNKYPUUDLZ-WGOQTCKBSA-N	394.478	4.920	50	40	GJGB	
Cc1ccc(NC(=O)[C@H](Br)Cc2ccc(Br)cc2)cc1	5235379	UIUAJPHWYFKKLM-OAHLLOKOSA-N	397.110	4.702	50	40	GJGB	
N#CC1=CN(c2ccc(Oc3ccccc3)cc2)c2cc(F)ccc2S1(=O)=O	38654531	RAYPCHCDSHSKDZ-UHFFFAOYSA-N	392.411	4.908	50	40	GJGB	
N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	44842310	NACFRZJZOWRBQU-JLHYYAGUSA-N	386.782	4.610	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	59201637	LRGHEVWKXOWHQN-XNTDXEJSSA-N	385.261	4.702	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223478067	RGFYLKAGWCDPAT-MFKUBSTISA-N	391.515	4.869	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408798685	WPVPQGHBBONIIQ-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1Cl	726942	BRXKPKBYGMOOSY-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCc1ccccc1	2406046	LXUCUZYXIQNCPR-FOWTUZBSSA-N	385.448	4.780	50	40	GJGB	
CN(/N=C(\CBr)c1ccccc1)C(=S)Nc1ccccc1Cl	4280604	VCMHHAMBFJAJST-HMMYKYKNSA-N	396.741	4.768	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	9190164	QEGHZQKJXVJVIO-WYMPLXKRSA-N	388.345	4.738	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1	32138972	LBHYBBYMMYFZQJ-XKZIYDEJSA-N	396.288	4.621	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Br)c1O	408745581	SVJZXPWZCIXVSE-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1	1239769	OYZPBJXCKCMVDS-DKICVRJWSA-N	392.453	4.831	50	40	GJGB	
O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccc(Cl)cc1	4194509	NZYCNGAIQPSJCL-ROUUACIJSA-N	378.280	4.806	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	4363297	XOYMRWXRRCGQKP-JLHYYAGUSA-N	386.367	4.804	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	9200591	ZZOSKRJTTVJSPK-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1nn(Cc2ccc(C(=O)N/N=C\c3ccc(C(C)C)cc3)o2)c(C)c1Cl	33334087	LLIMHHMCJUHEIJ-KSEXSDGBSA-N	398.894	4.682	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)nn2-c2ccc(C)cc2)cc1	408727848	YBZHKWWAWOOEBA-YZSQISJMSA-N	394.478	4.920	50	40	GJGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Br)cc1	409066183	AWGMXUKNZLIEJZ-AQTBWJFISA-N	383.289	4.658	50	40	GJGB	
CC1(CBr)COC(Cc2ccccc2)(Cc2ccccc2)OC1	1671123	FTSOXVGLJUOQDW-UHFFFAOYSA-N	375.306	4.616	50	40	GJGB	
CC(=O)N/N=C/c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1	4511207	XFVDVUHTGVKYRF-JJIBRWJFSA-N	380.488	4.662	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccccc1Cl	59334569	DIGBJOMYTWLOOK-ATVHPVEESA-N	377.875	4.647	50	40	GJGB	
N#C/C(=C\c1cccc(OCCC(=O)O)c1)c1ncc(C(F)(F)F)cc1Cl	98055572	ACTXRRYFPMPKPM-WUXMJOGZSA-N	396.752	4.671	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1OCC	408719223	NSQRPEPNFZSJTH-PZBNQXIHSA-N	386.517	4.505	50	40	GJGB	
CC[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OC(C)C)[C@@H]2C1	4631562	BYHQQXBLUONIHT-NBCNXNJRSA-N	386.499	4.704	50	40	GJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1OC(C)C	16347268	RUKSNQGMZGQPSQ-YBEGLDIGSA-N	384.863	4.990	50	40	GJGB	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(Cl)c1Cl	59336625	VCPSHOSJEZVYTR-WMZJFQQLSA-N	395.629	4.921	50	40	GJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	137022612	CPDQMRAYTYIEID-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1	710940	BSYAFYAUYHMBCB-ZMOGYAJESA-N	376.456	4.506	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1Cl	5125946	ANONOGRPBHEFPR-HNNXBMFYSA-N	383.238	4.602	50	40	GJGB	
Cc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(Br)cc1	33743423	XXQWHQHUBFIYKC-BKUYFWCQSA-N	397.276	4.704	50	40	GJGB	
O=Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	96022875	YLNBGYGCYSJDKO-UHFFFAOYSA-N	381.435	4.993	50	40	GJGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)NCCCl	118926631	LJHUDDBHGJTFLM-XUCMERPOSA-N	393.955	4.852	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409063245	JISIKQGORMJXQK-UKTHLTGXSA-N	397.793	4.685	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408580738	DNYASAUWMYYYBI-LICLKQGHSA-N	397.858	4.832	50	40	GJGB	
CC1CCN(C(=S)c2ccc(OC(=O)/C(C#N)=C/c3ccccc3)cc2)CC1	408755200	ZHZIPJRXNQBGJM-HMMYKYKNSA-N	390.508	4.607	50	40	GJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	653456	QEDUWESMIOKVQQ-MFKUBSTISA-N	381.435	4.715	50	40	GJGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(c1ccccc1)c1ccccc1	3031562	WKLBAHUYLGLYHA-YZSQISJMSA-N	380.447	4.828	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	3067300	TUAMRJAJSTYSCH-SRZZPIQSSA-N	381.259	4.555	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	4738429	VENWMYDRHJTEPC-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(-c2ccccc2)cc1	6179700	DOILQFZUFSDXMK-QNGOZBTKSA-N	396.450	4.601	50	40	GJGB	
C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(Br)s1	17077523	JTTNZFVJXJUSAH-RQZCQDPDSA-N	379.304	4.879	50	40	GJGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2)c1	59266424	YHULUDMMYGOULN-HAHDFKILSA-N	382.463	4.797	50	40	GJGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1cccc(F)c1	217711889	PYVSMUVMRMOYTP-UHFFFAOYSA-N	387.632	4.945	50	40	GJGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21	7386414	WJJDYWNDTFTRDF-OAKZWBAKSA-N	388.515	4.976	50	40	GJGB	
FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)F	103528766	PJKTYOKWUHDABA-REOHCLBHSA-N	391.974	4.575	50	40	GJGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2)cc1	408942123	XOAUDJIREVZBKL-MOSHPQCFSA-N	384.435	4.825	50	40	GJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1C	409239355	MYTIUDXBEFETRF-XLNRJJMWSA-N	383.495	4.750	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)N1CCCC1	409370621	CCLGZDWFRFWXPB-QGOAFFKASA-N	389.886	4.872	50	40	GJGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	2730416	FWQSSBLSFLVEGQ-WYMPLXKRSA-N	391.780	4.913	50	40	GJGB	
C/C(Cc1ccccc1)=N/NC(=O)CCCOc1ccc(Cl)cc1Cl	4738250	JOBGRAACPHVMMR-HMAPJEAMSA-N	379.287	4.887	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1	58822964	UVZZRBCXKVGVDO-QGOAFFKASA-N	386.407	4.587	50	40	GJGB	
N#CC(C#N)=C1C=CC=CN1/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	84517764	YVFKJGFOLIEHMA-HYARGMPZSA-N	394.390	4.505	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1C	223169126	UZLRMQPQKNTRHC-KQWNVCNZSA-N	383.495	4.668	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)c1	408751634	ATHVUHDUKRAPOL-YZSQISJMSA-N	396.494	4.957	50	40	GJGB	
CCn1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21	408904201	GIWFGPFVINKGQV-NHDPSOOVSA-N	399.292	4.888	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1)c1ccccc1	409248756	INDHEZYNFPIORV-VVZNPABPSA-N	375.859	4.915	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OC(C)C	681281	NDYMEXMRLNCRIY-SSDVNMTOSA-N	386.835	4.646	50	40	GJGB	
N#C/C(C(=O)COc1ccc(Cl)cc1Cl)=C1\Nc2ccccc2S1	1937811	OUGHSZOJJDGPFF-BOPFTXTBSA-N	377.252	4.894	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1	7750171	JTZFTFAGJMUQQG-SFQUDFHCSA-N	390.874	4.997	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC	59296910	KDECHRCAZXOMJF-XNTDXEJSSA-N	385.261	4.566	50	40	GJGB	
Cc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1Br	408970054	ZJBYFLLUQIIUIQ-UWVJOHFNSA-N	386.076	4.828	50	40	GJGB	
C[C@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C	1593258	FQENEZQJHZAKPK-IRXDYDNUSA-N	388.349	4.523	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)n2)cc1OC	4310801	NLZFWLQOTSRPSS-NVNXTCNLSA-N	393.424	4.800	50	40	GJGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)CCC2	6476667	KKRYCEJTNLQGMJ-YYDJUVGSSA-N	378.516	4.837	50	40	GJGB	
Cc1sc2nc(/C(C#N)=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc(O)c2c1C	96669608	QIVXYGAVNRAGJE-WZUFQYTHSA-N	386.820	4.640	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1cccc(F)c1	408812897	MOKKSIFXPMNETE-ZVCOJXFSSA-N	396.462	4.625	50	40	GJGB	
Cc1cc2nc(/C(C#N)=C\c3cc(Br)c(N(C)C)o3)[nH]c2cc1C	408844601	CQEQAVOZLDLLAM-GHXNOFRVSA-N	385.265	4.665	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	3170245	HFGVWAVJNKWPAN-VULFUBBASA-N	395.547	4.858	50	40	GJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408894640	JZLOEXIPVUWLKZ-IZZDOVSWSA-N	395.724	4.813	50	40	GJGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1	2272059	JNZUMSDAYMLCAB-HXUWFJFHSA-N	390.874	4.615	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1OC	4175023	TYHHXJCZHIRLSY-GDNBJRDFSA-N	393.424	4.800	50	40	GJGB	
C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2	20159119	ZEFBDFIUAUHQGA-YDZHTSKRSA-N	393.284	4.855	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)N(c2ccccc2)c2ccccc2)ccc1O	35975807	RBDLDNLSGMBWIA-KQWNVCNZSA-N	375.428	4.673	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)ccc1OCC#N	44028290	DBVRJAYWFWCFMH-UKTHLTGXSA-N	387.222	4.694	50	40	GJGB	
Cn1c(/C(C#N)=C/c2csc(-c3ccsc3)n2)nnc1-c1ccccc1	84304087	SGJROAQDLNGIAY-OQLLNIDSSA-N	375.482	4.731	50	40	GJGB	
COc1cc(OCc2ccccc2)c2cc(C(=O)CBr)oc2c1	216139823	ZMHYNNOYIQZWPD-UHFFFAOYSA-N	375.218	4.598	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCc1ccccc1	408805177	JECGQAKCQPFSSN-HEHNFIMWSA-N	384.479	4.894	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3O[C@H](C)CC)cc2c1	409188089	WXYVDAPWDDSUAU-JNCAFBRLSA-N	380.444	4.773	50	40	GJGB	
C=CCc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c(O)c1	941046	GCZPTRSARXHYIK-YZSQISJMSA-N	397.478	4.769	50	40	GJGB	
O=P(c1ccccc1)(c1ccccc1)c1c(Cl)cccc1C(F)(F)F	95611990	DSVBVAZBPBKCPI-UHFFFAOYSA-N	380.733	4.998	50	40	GJGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O	408886910	MXVAKHPQFQIRAM-OBGWFSINSA-N	392.455	4.890	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1	781377	MBWFUYNQIJHPJS-CPNJWEJPSA-N	381.435	4.506	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccccc1	985285	GVRDPXFKHXFRDH-MGPUTAFESA-N	376.843	4.548	50	40	GJGB	
COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	1817457	XYUHIQZHEFLDCN-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC/C=C/Cl)cc1	3082893	JHBLSTPPAANBOW-NWMZDPOASA-N	388.920	4.590	50	40	GJGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1Cl	3127286	VEVBMBLLPWVRAJ-PQDFQZGZSA-N	385.678	4.873	50	40	GJGB	
CCCC/C(C)=N/NC(=O)COc1ccc2ccccc2c1Br	4523820	DUTVFKBEOPFQID-DEDYPNTBSA-N	377.282	4.663	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)O	2774341	ITGXZCCLSIKOAD-XMHGGMMESA-N	398.418	4.509	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@@H](Cl)c2ccccc2)sc2c1CC[C@@H](C)C2	3269746	RWMLPPCAXGMLNT-PXAZEXFGSA-N	391.920	4.968	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Br	58915804	UPADZVQGBLXFKW-VSMYLPJWSA-N	397.725	4.733	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccc(Br)c2)c1	408769386	SMTSHFNYQLPIOB-DHDCSXOGSA-N	385.261	4.782	50	40	GJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408997527	MWBLCWHCDXOXNI-LDADJPATSA-N	392.459	4.604	50	40	GJGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc(C(C)(C)C)c1O	6430442	YURBXTJQOZPKSZ-NTEUORMPSA-N	383.517	4.989	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(F)cc1	33646343	LOZATWXIKLSVTD-MFKUBSTISA-N	387.414	4.542	50	40	GJGB	
COC(=O)c1nc(NC(=O)CCCC[C@H]2CCSS2)sc1C(C)C	96114831	ZOJSGLPRFBFIOF-NSHDSACASA-N	388.580	4.706	50	40	GJGB	biogenic
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2C[C@@H](c3ccccc3)CC=C12	100638157	MCKRCQNHIRZESC-DJPFJPOOSA-N	382.492	4.735	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728166	IJZZJDITESONJI-ROTLSHHCSA-N	393.849	4.763	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc2ccccc2c1	409235583	CJHWHVPLSGNKBQ-KOEQRZSOSA-N	387.483	4.603	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1	6230621	OCSIHPVXUPPVEA-OQLLNIDSSA-N	393.424	4.800	50	40	GJGB	
Cc1cc(C(=O)NNc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1	39977904	UCRAEGAPYTZPNO-UHFFFAOYSA-N	378.259	4.810	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1	59335505	NMPHFRWHKWFGKT-VBKFSLOCSA-N	386.407	4.807	50	40	GJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1	408936539	KXVZONGVJWZZOJ-PTNGSMBKSA-N	385.261	4.784	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCCCC4)o3)cc2c1	409188288	YIRBYTJRQFNIMT-HAHDFKILSA-N	395.459	4.569	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4953738	NRJYVGLXEDQRJA-CPNJWEJPSA-N	399.406	4.719	50	40	GJGB	
CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	74941528	CMVFMJSJOJDCCT-ZWNOBZJWSA-N	383.355	4.883	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408766290	UAIMEYVHAWEKGW-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc(Br)cc1	4549958	SJSQSVJBUOIARB-UHFFFAOYSA-N	395.300	4.796	50	40	GJGB	
C/C(=N\NC(=O)Cc1c(C)n(-c2ccccc2)c2ccccc12)c1ccc(O)cc1	18191492	FHJWTTQNRWWGNS-YZSQISJMSA-N	397.478	4.727	50	40	GJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	2726743	PVQIFNIJSRBQSP-OQLLNIDSSA-N	399.834	4.829	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC	59224808	MKAVGTVFWFQOAA-LFIBNONCSA-N	399.288	4.956	50	40	GJGB	
CCCCCCCCCCCC(=O)N/N=C/c1cc(OC)c(O)c(OC)c1	100969403	ICYRNTWFVJNKFR-CJLVFECKSA-N	378.513	4.780	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2Cc3ccccc3C2)cc1	408718587	FGYGPVRAJOMDBZ-ZMOGYAJESA-N	375.859	4.624	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(C)cc1	408778090	AOOJPXMTUXPWLY-NVMNQCDNSA-N	398.890	4.668	50	40	GJGB	
N#CC1=C(N)Oc2ccc3cc(Br)ccc3c2[C@@H]1c1ccc(F)cc1	692231	FXHGXIYTHAEIBG-GOSISDBHSA-N	395.231	4.960	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1C	2386576	SXSRBOPKXAZWJM-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
O=C(COc1ccccc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1	4402101	XTNUZXLRQCELAZ-UHFFFAOYSA-N	375.469	4.751	50	40	GJGB	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(N)nc(Nc2ccccc2)n1	11296422	GSYAIXOPIZDQNJ-FMIVXFBMSA-N	383.242	4.568	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F	15931371	YUVZHFNSYKQLIJ-BOPFTXTBSA-N	379.460	4.518	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N3CCCC3)cc2[N+](=O)[O-])cc1	33546597	IUWBDZPSFMRMGT-ATVHPVEESA-N	393.468	4.584	50	40	GJGB	
CCOC(=O)N/N=C/c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12	41074193	NHRVEYUXWDIESX-FYJGNVAPSA-N	397.504	4.586	50	40	GJGB	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CBr)cn1	117821845	XDILPCWHUWASTN-UHFFFAOYSA-N	387.274	4.653	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	206243971	KTYFHDDEUMNBGT-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1	408865594	CZPQSGHNLZGXBT-HMMYKYKNSA-N	386.426	4.971	50	40	GJGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12	409205503	OCMCYBAYUWPVTP-ZMOGYAJESA-N	391.471	4.583	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	208462581	ZIJGBPRPXLQWOO-ZMOGYAJESA-N	397.906	4.744	50	40	GJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c1	408788522	KQQQLMXCQYTSME-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	948708	DFCLQCFKYNDFJU-FOWTUZBSSA-N	389.386	4.590	50	40	GJGB	
COc1ccc(NCC(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1	4867388	KXDUKXUVLZHEAN-KOEQRZSOSA-N	379.504	4.695	50	40	GJGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812199	RAZIKETUXJCBKI-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccccc1	409188008	FCTACBFIVRQWSZ-HKWRFOASSA-N	383.495	4.964	50	40	GJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nccc(C)n3)o2)c1	409271732	WIOOPNSBGJIHHH-LFIBNONCSA-N	390.468	4.692	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1cccs1	4412415	SFNHVKKNUASPIP-AWEZNQCLSA-N	387.917	4.621	50	40	GJGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(N)=S	16429195	MERRLSPOHJAGMS-XFFZJAGNSA-N	375.862	4.592	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CBr)cc2)cc1	35605375	PSEMBBXNRKLEPD-UHFFFAOYSA-N	389.293	4.570	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cc(Cl)ccc1Cl	58917830	OCRMYVQHUZRSGV-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
COc1ccc([C@@H]2C(C#N)=C(SC)N=C3CC(C)(C)CC(O)=C32)cc1OC	104139972	NCMHJEIOBDIMBM-GOSISDBHSA-N	384.501	4.972	50	40	GJGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1	409047105	MQBCCLBPDREZII-OVCLIPMQSA-N	375.255	4.615	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)s1	409150586	CTTIEIZFLNSXNA-KEBDBYFISA-N	398.315	4.622	50	40	GJGB	
O=C(c1ccc([C@@H]2CC2(Cl)Cl)cc1)C(Br)Br	1441559	PBAZSVXTCKDVGW-QMMMGPOBSA-N	386.898	4.646	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccccc1Cl	28216184	LFQNFFLMMZLOAR-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	59416592	VUMBSGKVKVIKJQ-SFHVURJKSA-N	397.265	4.706	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc21	223475514	RLVVPUYCRBPCSB-ZVHZXABRSA-N	377.488	4.566	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(Br)c1	1212005	AXOULQXLALOVMW-JXMROGBWSA-N	379.616	4.787	50	40	GJGB	
COC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	2303854	PFAPAWIWWSTXQU-ZVBGSRNCSA-N	376.243	4.686	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1cccnc1	5783733	GJMBASKEQIKAFG-PCLIKHOPSA-N	393.874	4.776	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc2ccccc2c1	6189190	RUEIEWUQXNOURD-LGUFXXKBSA-N	396.494	4.855	50	40	GJGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(O)cc2)nc1-c1ccc(C)cc1	26841322	FSRMSSXWJFRFID-GZTJUZNOSA-N	375.453	4.847	50	40	GJGB	
CCCCCCOc1ccc(/C=N\NC(=O)COc2cccc(CC)c2)cc1	32703883	OFXZQMCXBIGVEW-ULJHMMPZSA-N	382.504	4.737	50	40	GJGB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)C(=O)N1CCCC1	409367526	DCTCNCWCNGRFAW-SRZZPIQSSA-N	390.527	4.692	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1	409371469	JVMUNGQBXCRQDD-LJQANCHMSA-N	395.503	4.747	50	40	GJGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1	2206466	PPCJQNDDQCGRRB-SFHVURJKSA-N	393.537	4.628	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)c1	16960575	IWRSQDAPQDGRCN-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
CCCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20761067	KOSDHOQLZDKOMC-CIAFOILYSA-N	384.277	4.578	50	40	GJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(OC)c1OC	24972128	XSZPGZFFKPUKLM-LFIBNONCSA-N	378.453	4.900	50	40	GJGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	98046278	LBBSKAPBVJENBM-UHFFFAOYSA-N	399.224	4.646	50	40	GJGB	
O=C(c1ccc(OC(F)F)cc1)C(Cl)C(=O)c1ccc(OC(F)F)cc1	100803460	PSAZSMRKCXZNRT-UHFFFAOYSA-N	390.716	4.562	50	40	GJGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12	408999076	JXTDYVRDZXTBBZ-OYKKKHCWSA-N	383.407	4.974	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1	409267115	STQZIBFRIQZHBI-OVVQPSECSA-N	398.506	4.842	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(C)cc1	6390881	VNMDBQQDAYICSO-PCLIKHOPSA-N	383.451	4.711	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)s1	39383591	IDVCFTGWBMIIJU-RGVLZGJSSA-N	387.302	4.665	50	40	GJGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408814844	SLJIRWCOMDFLJC-LFIBNONCSA-N	384.863	4.992	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OC)c2)cc1	408872730	PGQUXCNZFMRWCD-OVCLIPMQSA-N	385.261	4.566	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	5289034	ATCVPAJYQXAPSF-ZVHZXABRSA-N	385.895	4.772	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccc1	58917342	ZKINKAQISHYLOI-JHXRPTDYSA-N	395.890	4.585	50	40	GJGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408743119	DSOJYBWMZFQGIM-PTNGSMBKSA-N	385.261	4.782	50	40	GJGB	
CCOC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)ccc1Cl	408953462	LUBAPDLYUOIAFG-QRVIBDJDSA-N	396.830	4.541	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)c1	1445406	CWYURRLGGJZPKQ-HXUWFJFHSA-N	389.524	4.997	50	40	GJGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(O)c(C(=O)O)c3)n2)c(C)c1	2234474	YIVOSJRLRRFPGZ-GXDHUFHOSA-N	391.452	4.807	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1	5638639	GNWQXOZTZFDZNY-HYARGMPZSA-N	387.321	4.830	50	40	GJGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1	13799463	JITZQGNZCWFGDZ-ZHZULCJRSA-N	398.466	4.598	50	40	GJGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCc2ccc(Cl)c(Cl)c2)cc1	14640106	XRXJPIOOBGNLKC-OQLLNIDSSA-N	375.255	4.710	50	40	GJGB	
Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1N1C[C@@H](C(=O)Cl)CC1=O	45887232	YKIFBVUXUJLLOI-NSHDSACASA-N	389.238	4.575	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1	59503560	MGTGIYYBSAELCY-ZVBGSRNCSA-N	381.328	4.994	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1	408724581	FSNCKTUAOUAUSE-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3cccs3)cc1)C2	408730689	TZTHFMZQSHUIRV-FSJBWODESA-N	375.497	4.649	50	40	GJGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1O[C@@H](C)C(=O)O	409012089	JAJOMQDOQPHEJV-IYVNWDGISA-N	391.345	4.630	50	40	GJGB	
O=C(N/N=C\c1ccccc1Br)c1cc2cc(Cl)ccc2o1	409023584	HXNWFOZLIZHHRZ-OCKHKDLRSA-N	377.625	4.613	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(C)c(Cl)c3)c2c1	409052998	VQLMAOPJTLGXLC-FSJBWODESA-N	382.847	4.583	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1	409377634	JLFVUJJXWQGOMG-XDHOZWIPSA-N	391.858	4.980	50	40	GJGB	
Cc1cc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c([N+](=O)[O-])cc1C	712067	ZDAXKLYQXMMVIW-CIAFOILYSA-N	378.388	4.627	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(C)o1	3251374	WTBYVBHIKBRCJQ-WSDLNYQXSA-N	390.468	4.575	50	40	GJGB	
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)c2C1	9089437	MYYAFYIFBUJZMJ-LUILSVGHSA-N	386.927	4.758	50	40	GJGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	408788657	LYCJQXCOORDKJZ-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Br)cc1	1062044	DODLEFJRNDAAMA-GOSISDBHSA-N	377.241	4.820	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	5359206	QBUCJXFIQSXZOI-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	13029446	JTORYCJGTIZNQS-MHWRWJLKSA-N	386.432	4.989	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	30738511	ROORUPSPKRHCCC-YWCAOALCSA-N	399.878	4.800	50	40	GJGB	
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	59416594	VUMBSGKVKVIKJQ-GOSISDBHSA-N	397.265	4.706	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	107774601	MYHLZXYWSABNRA-YVLHZVERSA-N	381.815	4.513	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1OCc1ccc(F)cc1	408852081	HWYCXLGWGJPXJI-LGJNPRDNSA-N	394.421	4.925	50	40	GJGB	
O=S(=O)(Oc1c(Cl)cccc1Cl)c1ccc(C(Cl)Cl)o1	2150475	HQTIRWAZGDFLSB-UHFFFAOYSA-N	376.044	4.830	50	40	GJGB	
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Nc2ccccc2)o1	3017115	IVNPUOCHFQGLFF-CIAFOILYSA-N	378.388	4.627	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(Cl)c1OC	40139921	BGNLHQWKXDGDJY-LFYBBSHMSA-N	384.794	4.767	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3OC)cc2[C@@H](C)CC1(C)C	223529520	JJNQFRKUCCGIJF-WTJYETQFSA-N	379.504	4.571	50	40	GJGB	
N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1	2561547	OXOGHLIPQATIRO-PGMHBOJBSA-N	376.437	4.730	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	7210499	RLBHUPVZZKTYJO-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1	16409874	SRZVWOOJDZKMAK-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1Br	58915806	UPADZVQGBLXFKW-VURRPDKYSA-N	397.725	4.733	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc([N+](=O)[O-])cc1	107760613	XJJHUBVBOCUYJX-WOJGMQOQSA-N	388.383	4.975	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Br)c1	408779057	QAENIFMOROONBF-GDNBJRDFSA-N	385.261	4.782	50	40	GJGB	
CCOc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(Cl)cc1	408812093	CAXROYRITXYKLO-HMAPJEAMSA-N	382.851	4.685	50	40	GJGB	
O=C(c1ccc(Cl)cc1C(F)(F)F)[C@H](Br)CBr	575360284	APBHUVIZCDVGJO-MRVPVSSYSA-N	394.412	4.700	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1cccc(Cl)c1	657741	JPVYPLFPESVJFF-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc2ccccc2c1	1241964	VSTSPLAXWCLEDG-UCQKPKSFSA-N	375.453	4.614	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)c1	6867443	IUFMBVMKRWEYIV-VBKFSLOCSA-N	386.407	4.807	50	40	GJGB	
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(-c3ccc(F)cc3)s1)C(O)=N2	19642907	PLYIZQUJSNBCJG-UHFFFAOYSA-N	379.416	4.598	50	40	GJGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)C(c1ccccc1)c1ccccc1	33517201	BBAPLPUSBDYCEG-UCQKPKSFSA-N	393.830	4.530	50	40	GJGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408794206	IIURDSPXCXWGRU-XSFVSMFZSA-N	384.435	4.825	50	40	GJGB	
COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	408971581	JKRSZHRXRUMZDJ-UKWGHVSLSA-N	379.268	4.981	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1	409047274	TXPOJRAIBRZUJB-QQXSKIMKSA-N	395.462	4.983	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1-n1cccc1	695354	BWUVBTJMNAIITE-NLRVBDNBSA-N	395.462	4.820	50	40	GJGB	
Cc1ccccc1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3)CSC2=C1C#N	4922598	INSFAVXNRIBVIX-SFHVURJKSA-N	395.915	4.868	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	59335138	ORWUEIKHBLNKBO-MOSHPQCFSA-N	399.450	4.646	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3OC)cc2[C@H](C)CC1(C)C	208305011	JJNQFRKUCCGIJF-DTVDJLOLSA-N	379.504	4.571	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(OC)cc1	409008309	VPSFUAHMGFYLFJ-JLPGSUDCSA-N	376.456	4.791	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cccc2ccccc12	408591979	WVRZMWLUYIZMGX-MFKUBSTISA-N	383.451	4.717	50	40	GJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	408801318	VEUOJONVIDLXRE-FOWTUZBSSA-N	376.387	4.948	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	408810145	OYKVCQYDEHHNKD-LFIBNONCSA-N	397.272	4.868	50	40	GJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccccc3)cc2)cc1	409069751	WFJQHVVYTGOBIT-HMMYKYKNSA-N	375.449	4.827	50	40	GJGB	
Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1c(F)cccc1Cl	5183822	LVUBBPMMHZJABE-JJFYIABZSA-N	387.867	4.599	50	40	GJGB	
O=C/C(=C/Nc1ccc(Cl)cc1[N+](=O)[O-])c1nc2cc(Cl)ccc2o1	5568056	FTEFWFNPMCDRLB-CLFYSBASSA-N	378.171	4.695	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1C	33736369	KMZIAQJLSJQSDA-ZVHZXABRSA-N	382.504	4.571	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408745729	VFIWTEWCYBSAMV-WJDWOHSUSA-N	397.272	4.868	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cl)cc1OC	408794887	TZYXCGHFTFPWCJ-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)[C@@H](C)Cl)cc1	2275833	PWOVEWROYIBIPU-CXAGYDPISA-N	377.893	4.590	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cc(Cl)cc(Cl)c1	4107747	OSVQVNDYYOOOET-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)o1	4775459	FBBXGLDMPAFMDA-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
O=C(N/N=C\c1cc(/N=N/c2ccccc2Cl)ccc1O)c1cccc(O)c1	4854414	CWJYFRKFTQVQQD-FPWNMWBGSA-N	394.818	4.931	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccn1-c1ccc(C)c(Cl)c1	409020808	UBYBHILRSIYFTM-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
Cc1c(/C=N/NC(=O)Cc2cccs2)c2ccccc2n1Cc1ccccc1	2744302	XYBSUFHBDVFASS-BUVRLJJBSA-N	387.508	4.752	50	40	GJGB	
CCSC1=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1	6138604	CESIGYMZODGMCF-LJQANCHMSA-N	398.528	4.522	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br	6614042	QGXJTCNOEDILDG-YBEGLDIGSA-N	384.229	4.776	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(I)cc3)[nH]c2c1	33783952	WVALFYBRRITJGX-LCYFTJDESA-N	385.208	4.540	50	40	GJGB	
N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(N)=O	408870425	VTYRTWPFHIMNFR-SFQUDFHCSA-N	391.268	4.585	50	40	GJGB	
O=C(CCl)Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12	2206196	RKOTXWWKBBEUAQ-UHFFFAOYSA-N	392.636	4.604	50	40	GJGB	
COc1cc2nc(NC(=O)CCCC[C@@H]3CCSS3)sc2cc1OC	22701109	AKCFNYKSRZPCMK-LLVKDONJSA-N	398.575	4.966	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	28216272	WSMXJQOOIVRRDJ-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
COc1ccc2[nH]cc(CCNC(=O)CCCC[C@@H]3CCSS3)c2c1	38358521	HYDGZQMQXIFYIO-MRXNPFEDSA-N	378.563	4.549	50	40	GJGB	biogenic
N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(F)cc2)cs1	44835371	CKZZAGFHLBUORS-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc2cc(Cl)ccc2o1	408962284	XZVFCBDNWHCLQJ-OEAKJJBVSA-N	381.863	4.840	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCCC2)o1	409201343	LQVUAVWBMNKVJL-FYJGNVAPSA-N	391.924	4.556	50	40	GJGB	
CCCCOc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	4680478	NWMOLKKYAWJGHH-FYJGNVAPSA-N	397.456	4.752	50	40	GJGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	5123748	ODFKTFOXWGQXMD-BOPFTXTBSA-N	376.437	4.669	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1O	7210539	KXDBEMATRQSMQI-AWNIVKPZSA-N	391.254	4.952	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)c1	408746975	XMBPCDSYOQBSTD-SDQBBNPISA-N	377.227	4.643	50	40	GJGB	
COC(=O)Cn1cc(/C=C(/C#N)c2ccc(Br)cc2)c2ccccc21	408778080	AICSXPOJCMEJLG-GDNBJRDFSA-N	395.256	4.641	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1C	408789807	LUYTXBPBOZUTRS-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408799644	ZTMUCGWRYLREEW-AWNIVKPZSA-N	391.254	4.865	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)n1	408980786	XKWTXZKABHYBGH-XNTDXEJSSA-N	396.244	4.770	50	40	GJGB	
Cn1c2ccccc2c2cc([C@@H]3[C@H]4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	2769833	SUXMTDFHBNMSGN-FDDCHVKYSA-N	389.462	4.535	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	4723608	KWNKQYOEPPKFCO-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)cc3)n2)c1	5022862	XXODFJZTGFUVBS-YVLHZVERSA-N	376.437	4.808	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1nc2ccccc2[nH]1	408846462	JUHMQYGKQYFGFF-XFXZXTDPSA-N	383.249	4.583	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1	8812193	MHSKTEFIUYFROF-LGJNPRDNSA-N	389.405	4.732	50	40	GJGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408807202	KOTAXTNKCKUVNP-XNTDXEJSSA-N	385.261	4.782	50	40	GJGB	
Cc1ccc2nc(C)c(C(=O)N/N=C\c3ccc(-c4cccc(Cl)c4)o3)n2c1	408869141	QXJZCYNAFGBLQJ-KSEXSDGBSA-N	392.846	4.628	50	40	GJGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1	408958249	YAELRLMEPWRPKS-DHTPTNDJSA-N	386.879	4.885	50	40	GJGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1	33437661	STVVOWVONQTRSN-BKUYFWCQSA-N	389.293	4.700	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1	58871495	UEJQPJODGMPSBW-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	937107	VITGMTIIUFNKRU-LFIBNONCSA-N	376.368	4.936	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)SC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1	1073600	OOCCJBIWKTXAIX-OAHLLOKOSA-N	378.419	4.873	50	40	GJGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	1453278	REIJDWMFZQFCCP-SAPNQHFASA-N	386.407	4.669	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c(C)c1	2412997	UHQLPPSPNBTZFX-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C	101122379	YFMLVCBHJHIZCO-MHWRWJLKSA-N	398.875	4.640	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21	208220573	UPOLJKIINRYVIZ-YNNOXIHVSA-N	375.472	4.919	50	40	GJGB	
CCN(CC)c1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c(OC)c1	408741013	GKJNFSJGWFKUCF-ZDLGFXPLSA-N	399.498	4.550	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc1	408889538	DVUGOMSSPUIUSH-CVKSISIWSA-N	399.450	4.519	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	409230135	BVAALYVFGJURLA-RGEXLXHISA-N	375.472	4.540	50	40	GJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	409256708	OZRXLYFMRSQECO-CPNJWEJPSA-N	399.406	4.676	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(Br)c1	4592940	WIBPDMHHWDDFJL-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)c1	6206229	RWYPWQDERBUWCH-FSJBWODESA-N	395.846	4.631	50	40	GJGB	
C[C@@H]1CC(C#N)=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1	100259266	YCQHXOHHLBIZRM-LJQANCHMSA-N	384.419	4.708	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1	252488341	IPMADIVUJQPCRO-GXDHUFHOSA-N	377.331	4.540	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408567355	DAXUTSXINLGIRU-ZSOIEALJSA-N	395.821	4.830	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408870835	XESKNQWZPVFCAQ-JVWAILMASA-N	399.469	4.912	50	40	GJGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C1	4311887	OYZPBJXCKCMVDS-KKVAFCGZSA-N	392.453	4.831	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	28217316	WKQVNBKMPUWTEK-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1O	59302782	ZGLNKFNYSKKWCM-WJDWOHSUSA-N	382.847	4.718	50	40	GJGB	
N#C/C(=C\c1cccc2c1OCCO2)c1nc(-c2c(F)cccc2F)cs1	84358384	KRAPKIZSKXOJAK-UKTHLTGXSA-N	382.391	4.924	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)CCc3ccccc3)cc2[C@@H](C)CC1(C)C	223529223	LMWYLINWNDQGBK-UEVJXJNKSA-N	377.532	4.882	50	40	GJGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408955658	YCKMLQILUFWABL-WSDLNYQXSA-N	388.254	4.557	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	409369792	XYGQKTIZIZMBBG-MHWRWJLKSA-N	388.298	4.930	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2C)c2ccccc12	4687301	LSNKRWHSDBQOMK-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	28215862	XEZFEFXCUHAHFQ-ZVHZXABRSA-N	391.540	4.786	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccncc1	34871544	HDCXQONCRHJNOA-QQXSKIMKSA-N	381.435	4.578	50	40	GJGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2ccccc2)c1	59249562	TUWHGUKEHHDGSP-KOEQRZSOSA-N	382.467	4.649	50	40	GJGB	
O=C1OC(=O)c2cc([N+](=O)[O-])c(Nc3ccc4ccccc4c3)c3cccc1c23	97944196	FCLXAAMZGRYPMK-UHFFFAOYSA-N	384.347	4.955	50	40	GJGB	
CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCBr)cc1	225702750	FVZKUTZXWRUQNU-SFHVURJKSA-N	386.330	4.774	50	40	GJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1	409040654	HITBMEAKLLZVHX-NBVRZTHBSA-N	394.434	4.645	50	40	GJGB	
CCn1c2ccccc2c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc21	4074892	JPWPMACBJYAWMQ-JOCHJYFZSA-N	383.451	4.629	50	40	GJGB	
C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(-c2ccccc2)cc1	4699784	HAJVPDGYRVEMHU-LFVJCYFKSA-N	378.859	4.926	50	40	GJGB	
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C(/C)c3ccc(Cl)cc3)c2C1	4995250	MYYAFYIFBUJZMJ-VRHSPDTKSA-N	386.927	4.758	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1O	7159191	SZJIVXJBOYGBAX-KPKJPENVSA-N	377.227	4.643	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC	13914388	MMPMIHGQBOMQKX-BOPFTXTBSA-N	394.858	4.605	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)c1cc2ccccc2o1	83313465	YFHVAJUHCGFVSE-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
O=C(NNc1ccccc1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	97087805	XBGPDLYEVOZTOS-UHFFFAOYSA-N	378.819	4.543	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)N=C1C	101122434	WCPVEKLAAKHOGC-MHWRWJLKSA-N	398.875	4.640	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccn3)cc21	223503256	HRQDXCLYMOMUOS-AFUMVMLFSA-N	376.504	4.564	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	408799785	LDGAVCIGRVMEDI-UKTHLTGXSA-N	375.653	4.957	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1	409175103	PVVWEEFRQRVOKP-ZVHZXABRSA-N	390.439	4.584	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC	659676	QYMXBQNYQCKJBC-ZVHZXABRSA-N	388.423	4.757	50	40	GJGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1sc2ccccc2c1Cl	3255839	GGABMHVGBGQQCY-ZVBGSRNCSA-N	380.803	4.920	50	40	GJGB	
Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)CCCCl)c3)oc2c1	4703820	KOUJNGGGHJHKBJ-UHFFFAOYSA-N	387.892	4.635	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	4953594	ROQDPVFLRKLTGE-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cccc(Cl)c1Cl	5739763	VBPRFKXUYWXZDG-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1	16102235	LLRDJHUCPZVUFI-LFVJCYFKSA-N	378.859	4.926	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C(C)=O)c3)n2)cc1	16890807	VZLJUVOULQDFJI-ATVHPVEESA-N	375.453	4.998	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1O	408803310	NNQBWMVSJQHLRJ-NTUHNPAUSA-N	391.254	4.952	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)c(C)c1	409231931	GEGFBZRUUTWUJJ-QFEZKATASA-N	377.463	4.543	50	40	GJGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	1454121	KMSZPALLOBHUFR-UKTHLTGXSA-N	385.901	4.994	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	5602967	QMIIUKPHJIRENG-HYARGMPZSA-N	397.272	4.792	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1	409371166	GOYCQYODZAGTSK-LJQANCHMSA-N	377.513	4.608	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(C(=O)O)cc1	2773724	NSGIQTSVQUSOCH-RVDMUPIBSA-N	392.798	4.844	50	40	GJGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1	3208118	MLMPDIFDOMGFIN-JJIBRWJFSA-N	381.520	4.722	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(OCCC)c1	6583945	HKJMBBMWVRVCIV-ZVHZXABRSA-N	379.460	4.509	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2C)cc1	6822256	OWFHTQFPIDOVIT-CPNJWEJPSA-N	399.450	4.646	50	40	GJGB	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OCc3nccn3C)cc2)cc1	98008615	VVTCTYORVHJUDH-QNGOZBTKSA-N	385.467	4.741	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC	408583718	XAOFCDWVYFDCOQ-CXUHLZMHSA-N	385.847	4.995	50	40	GJGB	
Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1	408728401	LIOYPYFDZMELGI-MXAYSNPKSA-N	389.886	4.933	50	40	GJGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408801585	WDZIEAIHNRLOMP-NTCAYCPXSA-N	383.245	4.560	50	40	GJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ccccc3)cc2)cc1	408862517	ZPJFCIVJSKYYBT-BUVRLJJBSA-N	390.508	4.816	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1	664446	SRSOJFROEAQSQI-MRXNPFEDSA-N	376.485	4.654	50	40	GJGB	
O=C(O)c1cccc2c1-c1ccccc1[C@H](Br)[C@@H]2Br	1702441	OCDOZJQXUMMRBQ-UONOGXRCSA-N	382.051	4.937	50	40	GJGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1F	4502937	FLMVHGHDIBEFOV-ZMOGYAJESA-N	376.456	4.779	50	40	GJGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C(c1ccccc1)c1ccccc1	4507845	JRFQYBAGEYGKIA-ZMOGYAJESA-N	399.277	4.981	50	40	GJGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C1/CCCCc2ccccc21	5504636	MZNJXGLXPMVNQZ-RWEWTDSWSA-N	384.479	4.979	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccn1	409247731	NISUHSJCVGRRRS-ATVHPVEESA-N	376.847	4.688	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1cccnc1	1003343	HFDRWXSCERROIK-MFKUBSTISA-N	386.480	4.821	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)cc1	4922583	RGVZRKVLJYCITK-HXUWFJFHSA-N	389.524	4.777	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C/c2cccc3ccccc23)nc2ccccc12	5006875	NGPIMZUSQAFBCM-ZVHZXABRSA-N	385.492	4.939	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1	408789977	SYXSLTKUNUPQLR-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	409360341	DWEVRLPMMYVYAW-JFLMPSFJSA-N	399.469	4.830	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409391195	HSVPIRQADKDZOA-KWZJRMENSA-N	377.444	4.822	50	40	GJGB	
N#CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)c1	4953917	DWEOIXLCVIPXEN-LGMDPLHJSA-N	394.390	4.567	50	40	GJGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1	5725242	JTPPNDRYMXIKDH-NLRVBDNBSA-N	385.467	4.613	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OC(C)C	5815796	LMKJISDASKNQEE-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc1OC	33560586	LMABYSSMRVIZME-FBHDLOMBSA-N	388.876	4.644	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)ccc1OCC#N	58066448	DBVRJAYWFWCFMH-LCYFTJDESA-N	387.222	4.694	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1Cl	408599309	SJMYBCBEDXFANL-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2C)cc1	408761060	HCOHZFJTBUEOOD-MFKUBSTISA-N	389.499	4.737	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)c1	4922613	AUGJGCLZUWFEJD-IBGZPJMESA-N	375.497	4.523	50	40	GJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3c(C)nc4ccccn34)ccc21	6210432	APRZKAOYXQCNKU-MFKUBSTISA-N	395.466	4.534	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	7384359	JUUGKWUHOGCXDU-KOEQRZSOSA-N	387.483	4.603	50	40	GJGB	
CC(C)(C)c1ccc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)cc1	30855964	AOSAMIFZUZQUHE-RWFYVVHNSA-N	394.515	4.572	50	40	GJGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	31906014	XDELDWVQNCRZNJ-PXNMLYILSA-N	390.420	4.528	50	40	GJGB	
COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc(OC)c1OC	40147191	UPDVUKSIDFFCLM-MDWZMJQESA-N	395.440	4.517	50	40	GJGB	
O=C(OC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104187363	CGBACGAIBLHHBP-UHFFFAOYSA-N	398.442	4.527	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3ccccc3)cc21	208246089	POMPSFOFDYFHHN-BGHCKBSUSA-N	383.923	4.755	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OC)c1	408790842	RJDSQWSEHRVYRV-CPNJWEJPSA-N	377.488	4.704	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409193256	HXXMTANWVPDZCM-OJNRTJSBSA-N	391.309	4.592	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1CCC(C)C	15355333	LAQVUWRYQUAOMY-BDBSJLECSA-N	383.319	4.795	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	59334557	WXXRFWPHHIUSML-DHDCSXOGSA-N	398.293	4.992	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408799591	ZNTIHEOWDNZRTE-GZTJUZNOSA-N	394.858	4.605	50	40	GJGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(OC)cc1	3311213	LFAQDKXVUMNEKD-WUPOHKCWSA-N	380.488	4.840	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)c1	59473245	PCKSKAXTRIJUCJ-DHRITJCHSA-N	388.536	4.939	50	40	GJGB	
O=C(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104387470	MQTVVTXBJYOMEI-UHFFFAOYSA-N	396.470	4.986	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3c(OC)ccc4ccc(OC)cc34)[nH]c2c1	409393711	ZDYKHPWZRPVULQ-GDNBJRDFSA-N	385.423	4.806	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	985591	XJBCCWKQLJCUGB-INIZCTEOSA-N	397.265	4.910	50	40	GJGB	
O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1003427	AGJIIHCCRUZQQV-AFUMVMLFSA-N	386.842	4.714	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OC	3616058	VAPALHBQLDCWMU-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	6282330	WXASCEQXDXOOBA-DEDYPNTBSA-N	398.418	4.509	50	40	GJGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	100860111	SYZVILFPVDAFLX-LFIBNONCSA-N	390.424	4.897	50	40	GJGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C3/CCCC(=O)C3)cc2)cc1	103456940	DZOOTJXGICFQSX-QQTULTPQSA-N	392.499	4.792	50	40	GJGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1O	408691564	FGYYJRSNJXRLDH-AUWJEWJLSA-N	398.260	4.510	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	408925356	RLRVXXLYOANUQQ-YRNVUSSQSA-N	376.199	4.756	50	40	GJGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccc(F)cc1	409186703	GRSVFRLCMUNIPU-NHDPSOOVSA-N	395.419	4.602	50	40	GJGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1	409316973	NBYNUZAAVZRXJB-KRWDZBQOSA-N	384.888	4.621	50	40	GJGB	
O=C(N/N=C/c1ccsc1)c1ccc(COc2cccc3cccnc23)cc1	3259121	FGXBGIDUQSXZPY-ZMOGYAJESA-N	387.464	4.639	50	40	GJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	4045417	RRIZXWGQVALDDB-BRJLIKDPSA-N	387.361	4.528	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1	4838667	ACHPXKNVSTTYRW-ZVHZXABRSA-N	390.439	4.706	50	40	GJGB	
N#C/C(=C\Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1	44842226	LQJRQPIDCXFVDN-CJLVFECKSA-N	390.464	4.516	50	40	GJGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12	408781452	SLXIHJBPGSEAPQ-BOPFTXTBSA-N	377.875	4.775	50	40	GJGB	
CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	753116	SJHJOUOICQCBIB-GOSISDBHSA-N	381.526	4.754	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	4179380	XEADQMMXSJJDPD-CXUHLZMHSA-N	378.453	4.900	50	40	GJGB	
Cc1ccc(NC(=O)[C@@H](Br)Cc2ccc(Br)cc2)cc1	5235380	UIUAJPHWYFKKLM-HNNXBMFYSA-N	397.110	4.702	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	6222924	MQQVLGGYZUHACH-LPYMAVHISA-N	397.818	4.591	50	40	GJGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1Cc1ccco1	10848232	PWQZSDVEIFAMHM-MFKUBSTISA-N	385.467	4.592	50	40	GJGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408789547	KAGUFRBKWXGYHQ-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	409198657	JESKALMSBJCARH-NFCNUSAFSA-N	390.874	4.505	50	40	GJGB	
CC1=CC(C)(C)N2C(=O)/C(=C(/C#N)c3nc4ccccc4[nH]3)c3cc(C)cc1c32	4741548	LDQVVKPKTNBEKA-JZJYNLBNSA-N	380.451	4.848	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCc1ccccc1	59306234	AAGQBLHXQBJVCJ-BKUYFWCQSA-N	386.426	4.628	50	40	GJGB	
CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)[C@H]2C(=O)OC(=O)[C@H]12	86050906	ZRBIDSORDFCGOL-HNBVOPMISA-N	378.509	4.890	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cn2ccccc2n1	96991421	ZKOKMQOABFXLFK-UYRXBGFRSA-N	388.434	4.646	50	40	GJGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)cc1	408784923	WSIRNGQUKYMXLU-SSZFMOIBSA-N	398.304	4.841	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O	408810194	LRGJQJXETKTGOS-KPKJPENVSA-N	391.652	4.662	50	40	GJGB	
CC(C)(C)C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1	4031691	WJJYEFXBOIKKPW-UHFFFAOYSA-N	399.292	4.549	50	40	GJGB	
FC(F)(F)C(F)([C@H]1CCCC[C@H]1I)C(F)(F)F	63148603	MPDWEHWICQEPCD-NTSWFWBYSA-N	378.069	4.813	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1	409020683	SAMFDVOWWPJRDV-VBKFSLOCSA-N	391.858	4.993	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1	1057283	LMGNTHZZRPBJHZ-FQEVSTJZSA-N	389.524	4.997	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1O	2630348	VQSPNPKUVHBEEP-XYOKQWHBSA-N	377.227	4.643	50	40	GJGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	3255687	WAOKSFLYUXVYGZ-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	5547475	GYGJWBUPZARIOQ-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CN(C)NC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1	408977636	FABUTMZHPHNAFW-UHFFFAOYSA-N	395.513	4.685	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(F)cc3)cc21	208251514	UZJLOZJXDNVQAH-LFWZTCNZSA-N	387.886	4.965	50	40	GJGB	
CCCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCCCCC1	225659228	JPBGMTWXUHKKNG-UHFFFAOYSA-N	398.341	4.918	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C	408962577	ZLKKOMTYNPHZRP-AFUMVMLFSA-N	377.463	4.868	50	40	GJGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc2c1CCC2	948292	YAPSGJVACVFUAE-WJDWOHSUSA-N	394.496	4.692	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	1433683	UDSWZZMDNYYMBP-WGOQTCKBSA-N	397.478	4.771	50	40	GJGB	
CC(C)=C[C@H]1[C@H](C(=O)OC(C)(C)[C@H](Br)CBr)C1(C)C	4429873	INEXNAHDVGGQHF-QJPTWQEYSA-N	396.163	4.705	50	40	GJGB	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12	6423360	OQDIHFHUUASDSG-XMHGGMMESA-N	385.423	4.649	50	40	GJGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O	16741531	MCZNQMYDUAIQTI-UYRXBGFRSA-N	392.430	4.868	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cccc(Cl)c1Cl	3335274	IFNQLJFZTHJIEL-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
COCCC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	20221001	ICDYRTUJWKFHGS-GHRIWEEISA-N	391.858	4.705	50	40	GJGB	
O=C(CSc1nc2cc(Cl)ccc2[nH]1)N/N=C/c1cccc2ccccc12	30822803	DEPFAKZKDFZZAP-SSDVNMTOSA-N	394.887	4.612	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	31847237	OOCCQCWNSFBLSJ-XYGWBWBKSA-N	381.435	4.674	50	40	GJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(-c2cccc(Cl)c2)o1)OCO3	40545958	ICJJECOIEJHVHV-HXUWFJFHSA-N	392.798	4.547	50	40	GJGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1O	409071404	RFNGRVHQPJIJHN-XKZIYDEJSA-N	382.872	4.961	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1	409231201	IKOONPCPAKQCCP-HAVVHWLPSA-N	383.495	4.750	50	40	GJGB	
O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1	4932053	WYPDBGPPRCSYIH-MRXNPFEDSA-N	395.659	4.505	50	40	GJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2c(Cl)[nH]c3ccccc23)cc1	13838019	WJPXCBABKQNQLH-GKGMIHAQSA-N	383.879	4.864	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	16750544	NDURBFMIMGANRW-XDJHFCHBSA-N	378.435	4.855	50	40	GJGB	
CCN1C=C(Cc2ccccc2C)C2=C(C1)[C@H](c1ccccc1C)C(C#N)=C(N)O2	19827637	DPUVNPKNPUCWQE-XMMPIXPASA-N	397.522	4.827	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc([N+](=O)[O-])cc3)n2)c1	100839835	IWRSQDAPQDGRCN-KAMYIIQDSA-N	378.413	4.703	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	408783660	PSLPRMIOJGSLQV-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12	408856063	ASKIRIHVRKPSJT-GXDHUFHOSA-N	379.847	4.694	50	40	GJGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1	408890464	UEYGPERIOANUDE-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1	3090661	IAIUFRKWQNWAMN-FPBJWUSOSA-N	383.451	4.676	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1	4592646	JALFDPXWHNOZGQ-IHZHQEORSA-N	391.471	4.811	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(OC)cc3)o2)c1	4837625	SFOCBYQQQDMZSP-LGMDPLHJSA-N	388.423	4.900	50	40	GJGB	
Cc1ccc(S(=O)(=O)N2C[C@@](C)(CCl)Sc3cc(C)ccc32)cc1	5617754	VPBKITXZSHEKPP-GOSISDBHSA-N	381.950	4.602	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	7157212	AREYMOWQVVGVLO-COYFKBPASA-N	387.395	4.639	50	40	GJGB	
O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1O	100251100	FXVYPLDPIBEJGH-UHFFFAOYSA-N	397.414	4.710	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C	208455541	MIGMPYGTFRVPPJ-AFUMVMLFSA-N	391.515	4.708	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O	408526645	CVRIEXMZULMVST-QPEQYQDCSA-N	389.205	4.526	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCCC	409076118	XZTHIGBMCZSYIS-XMHGGMMESA-N	376.456	4.758	50	40	GJGB	
C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OCC	409119171	RCRSXFXTHDURRC-XQNSMLJCSA-N	398.528	4.591	50	40	GJGB	
Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1	786956	BQXXVTAPOIJHPB-SFHVURJKSA-N	393.874	4.648	50	40	GJGB	
CN(C)CCCCC(C(=O)CBr)(c1ccccc1)c1ccccc1	1577626	YLRCHBNKPCVZRP-UHFFFAOYSA-N	388.349	4.669	50	40	GJGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1	4738877	IDCYZNYABLPFIK-LPYMAVHISA-N	399.903	4.914	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C)c2C)c(C)c1	28216263	ZCDXEEVOQIMKJK-AFUMVMLFSA-N	389.499	4.549	50	40	GJGB	
CCn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	40570800	LNWYEYDKBHIAEP-YZSQISJMSA-N	381.479	4.943	50	40	GJGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1cccc(F)c1	226335796	WTNOHVSMBWDLLX-AATRIKPKSA-N	399.643	4.954	50	40	GJGB	
N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccco2)cs1	256055323	BUUGANQFNXMSTC-NTUHNPAUSA-N	389.396	4.766	50	40	GJGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C	408740407	BUTIRIAYKGHPFY-NDENLUEZSA-N	399.450	4.646	50	40	GJGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1ccccc1	409046652	KYOJDWYGUZVHCK-WUXMJOGZSA-N	379.051	4.981	50	40	GJGB	
Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)cc1Cl	797371	DOHRSGMVPDYSIV-SRZZPIQSSA-N	398.806	4.972	50	40	GJGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)cc1	5568275	OFDVURKSBIEELJ-LPYMAVHISA-N	378.303	4.994	50	40	GJGB	
Cc1cc(C)c2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)[nH]c(=O)c2c1	6694237	FHGPKNMNYGGGJT-MHWRWJLKSA-N	386.842	4.806	50	40	GJGB	
N#C/C(=C\c1cc2ccccc2nc1N1CCOCC1)c1ccc(Cl)cc1	13800165	LEHBVELCAIIJKJ-XMHGGMMESA-N	375.859	4.789	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)cc1	408961735	VAZGHYWXSFBLEI-CYVLTUHYSA-N	375.472	4.540	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(C(F)(F)F)c1	409131794	JKNPILIOQSVRSR-YBEGLDIGSA-N	376.353	4.745	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1	3112578	VNRNMIKCJDBSRQ-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1F	3188815	GJWLXPPGUCRXFC-SFQUDFHCSA-N	377.394	4.918	50	40	GJGB	
O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1Cl)c1ccc(Cl)cc1	4194510	NZYCNGAIQPSJCL-ZWKOTPCHSA-N	378.280	4.806	50	40	GJGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)c1	4544483	YXYFUSCQSACGRB-JJIBRWJFSA-N	396.490	4.840	50	40	GJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/[C@@H]3CC=CCC3)cc2)cc1	5020821	PZXGFAHJDSXPFY-WCIBBKAISA-N	378.472	4.736	50	40	GJGB	
CSc1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1	20348376	UIOJNEZJLPDXKH-SFHVURJKSA-N	399.585	4.756	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1	34914312	YMJFNBGNEKSNJW-UUYOSTAYSA-N	376.287	4.666	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C	100868310	AVERYTZIQJHZAZ-KKXDTOCCSA-N	398.728	4.746	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408762222	NQVLQCGBDIRCMD-XNTDXEJSSA-N	385.261	4.702	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	408772796	RGEORAADTXFJKC-LPYMAVHISA-N	384.888	4.831	50	40	GJGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3)sc2c1Cl	408964086	NHCQXBVBIZVUTF-UKWGHVSLSA-N	379.268	4.981	50	40	GJGB	
CCOP(=S)(OCC)Oc1cc(C)c2c(-c3cccs3)nn(C)c2n1	2150083	WZTPYRKCBHRYCJ-UHFFFAOYSA-N	397.462	4.682	50	40	GJGB	
C=CCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	4816054	XHUQUGWZMQQBFQ-IBGZPJMESA-N	377.469	4.533	50	40	GJGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	14003042	NRIYGYHJJHFYCU-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)c1	20243822	SBTBEHYXMGCXBH-SRZZPIQSSA-N	390.325	4.661	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC(C)C	205561362	QPKATJZGXKBRNT-YQYFLZKSSA-N	398.890	4.920	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccc(OC)cc23)cc1	408787737	FODCOSJBSPXJIE-QGOAFFKASA-N	386.451	4.965	50	40	GJGB	
Cc1c(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cccc1[N+](=O)[O-]	408825704	BNFHRQYWNYHNCS-NTCAYCPXSA-N	379.416	4.519	50	40	GJGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2805867	LOJAWQXUZHFDIJ-WZUFQYTHSA-N	394.736	4.633	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1O	5949117	AKLAEZPUKIJRIA-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
CN(CC(=O)/C(C#N)=C1\NC(c2ccc(Cl)cc2)=CS1)C1CCCCC1	23118732	BUBZYIAGDKZGCF-LVZFUZTISA-N	387.936	4.544	50	40	GJGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)c1	408854252	AXPKXPQWZULXCW-MYYYXRDXSA-N	384.483	4.658	50	40	GJGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)o2)cc1	409019650	VKBWVHMNRWWXPX-WYMPLXKRSA-N	389.798	4.982	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1	409240993	MRDKZCXMHHFYDY-HZHRSRAPSA-N	376.481	4.919	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	16389933	PBSAISVJRFUPPO-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(N)=O	408760053	QRVAGUJPNANQID-NBVRZTHBSA-N	392.414	4.604	50	40	GJGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	408961905	VKPMAACTVQGMLH-WSDLNYQXSA-N	376.287	4.666	50	40	GJGB	
O=C(NNc1ccccc1)NN(C(=O)Nc1cccc(Cl)c1)c1ccccc1	1579921	YDFGCAFBWZRDOZ-UHFFFAOYSA-N	395.850	4.620	50	40	GJGB	
CC1=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(CCCC2=O)N1	19902845	KFJTXHJOWRCLPR-QHCPKHFHSA-N	388.442	4.896	50	40	GJGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(I)cc3)[nH]c2cc1C	51102934	KWGLBRJYWDZCTH-ZROIWOOFSA-N	399.235	4.849	50	40	GJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)Cc3ccc(OC)cc3)ccc21	672309	AVDQHLLZYADHKI-PCLIKHOPSA-N	385.467	4.516	50	40	GJGB	
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccc(Cl)c(Cl)c1	654849	DDYFKIPZPGFCDP-QPSGOUHRSA-N	395.629	4.517	50	40	GJGB	
Br[C@@H]1[C@@H](S[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100058132	SSHGJJMUKDEIMS-WAYOCEBLSA-N	380.189	4.844	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)nn2-c2ccccc2)cc1	408726692	SRKSUOGVHXWOMZ-WGOQTCKBSA-N	398.441	4.751	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)cc1Cl	408734151	DQUOKSIUHAWCIC-NTUHNPAUSA-N	375.653	4.957	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc4ccccc4c3)c2c1	409011770	HOFSLBLGMVYICM-MFKUBSTISA-N	384.435	4.774	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1	409213909	VPIBYJHDBZFGKQ-SDQBBNPISA-N	376.199	4.756	50	40	GJGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2275504	GRZLUQLFOVMYEU-SFHVURJKSA-N	397.265	4.706	50	40	GJGB	
CCCCCOC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	3159543	QMEDUOXZLQDKRD-STQMWFEESA-N	378.104	4.620	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccc(C(C)(C)C)cc1	4107004	BBOAACHFLJVFFU-MFKUBSTISA-N	389.499	4.861	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1	4175043	MOSOFRCXVOTYDL-CHHVJCJISA-N	392.436	4.620	50	40	GJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1	6158797	YOVRNXKOHBGDSF-MFKUBSTISA-N	396.450	4.557	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	6999038	DMPZOBZXIQYLOF-CIAFOILYSA-N	376.909	4.512	50	40	GJGB	
O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc(/N=N\c2ccccc2)cc1	102248839	BOKGTAQIYGBUDX-DQRAZIAOSA-N	377.364	4.554	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21	208220531	UPOLJKIINRYVIZ-CPISYKEBSA-N	375.472	4.919	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	408590256	OKMKICROBMAVHT-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl	408748031	XFJRBYMPEPLADW-NVNXTCNLSA-N	375.255	4.615	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OC	409067610	GFTHVHBVTIXQMA-LFIBNONCSA-N	382.847	4.631	50	40	GJGB	
CC[C@H](C(=O)O)c1ccc([C@H](CCl)CNC(=O)OCc2ccccc2)cc1	2362803795	LYCHIJZDSRKHNR-MOPGFXCFSA-N	389.879	4.514	50	40	GJGB	
CC[C@H](C(=O)O)c1ccc([C@@H](CCl)CNC(=O)OCc2ccccc2)cc1	2362803796	LYCHIJZDSRKHNR-OALUTQOASA-N	389.879	4.514	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2C[C@H](c3ccccc3)CC=C12	6813942	SVKRRWGGOBPWRH-NWSQWKLXSA-N	376.463	4.674	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	31830136	QSKHHMSWEOCIGS-UVTDQMKNSA-N	377.331	4.540	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cccc(OC)c3OC(C)C)c2c1	44026887	RIALYTADGXNPNJ-YBEGLDIGSA-N	390.439	4.762	50	40	GJGB	
N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	100839819	HSQKMEPYWOVPRQ-RAXLEYEMSA-N	393.384	4.603	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Cl)c2)cc1	408746311	YIAOFOZEMKPTTG-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1	408897842	ZTXGYGBQBTXHEW-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409391194	HSVPIRQADKDZOA-FBKCMUNRSA-N	377.444	4.822	50	40	GJGB	
Cc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1CC(C)(C)CC2=O	1063236	QBBZMGINZAZBFE-HXUWFJFHSA-N	389.524	4.997	50	40	GJGB	
O=C1c2ccccc2OC[C@]1(Br)[C@H](Br)c1ccccc1	3138096	BPVJJSBPBXRROZ-ZBFHGGJFSA-N	396.078	4.532	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	108782234	AZHMMQBIHIGQBT-LCYFTJDESA-N	388.832	4.869	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccccc3F)cc1)C2	408729622	HLTOAVWWMHMBNO-LGJNPRDNSA-N	387.458	4.727	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OC(C)C	408778950	NJEFEINEEYUGQO-WQRHYEAKSA-N	394.471	4.815	50	40	GJGB	
Cc1cc(C)nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1	98007360	HKEVKJRHPUPGPD-UHFFFAOYSA-N	383.435	4.903	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1	408591833	VNGAXAULLRGJHS-ZVHZXABRSA-N	384.439	4.513	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCC	409071116	NLAFNURNOVHCSB-CPNJWEJPSA-N	376.456	4.677	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1Cc1ccccc1	409230203	CJSBRDYXHPNUPT-YPFLROGLSA-N	383.495	4.938	50	40	GJGB	
CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21	409260901	YIIRMWXSCGUOEH-PCLIKHOPSA-N	375.516	4.960	50	40	GJGB	
Cc1ccnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)n1	409271084	IWFLVLUIRAZOPP-JLHYYAGUSA-N	396.859	4.728	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1O	825008	ODCKDQVSFVZELR-UFFVCSGVSA-N	375.211	4.723	50	40	GJGB	
O=C(NNC(=S)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl	976713	VRFPBWMTHUZMDS-UHFFFAOYSA-N	396.324	4.840	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1	6410536	YDQGWGYTHHOFQB-COYFKBPASA-N	387.395	4.639	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	20764614	VWCYBAVCUMPFPA-MFKUBSTISA-N	392.430	4.567	50	40	GJGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1F	409234636	OGJBNBWDFSICHP-WGARJPEWSA-N	389.405	4.732	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc2ccccc2c1	3080397	VDDMTHOFYPFDQJ-JVWAILMASA-N	397.478	4.954	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)c1	4922436	NCZUYJGSGXFOMW-SFHVURJKSA-N	395.915	4.868	50	40	GJGB	
CC[C@@H]1CCc2sc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2C1	21274440	JUVFDKNTAZRYOD-JZOCJUILSA-N	391.880	4.589	50	40	GJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)cc1	33571848	QKRMHFJSADKYIK-FSJBWODESA-N	395.846	4.631	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	58822967	IGNRCLTXBOXMAF-QGOAFFKASA-N	386.407	4.587	50	40	GJGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4Cl)cc3C2)cc1	408734375	XOQONHQOHOJYKI-MXAYSNPKSA-N	389.886	4.933	50	40	GJGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)O	409020736	SQQSBHUFXFWXON-NUBYWOLOSA-N	392.238	4.918	50	40	GJGB	
Cc1cccc(NCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1	1248228	XDJIICDVHBESAG-JFLMPSFJSA-N	396.494	4.560	50	40	GJGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3O)cc2[C@@H](C)CC1(C)C	223575134	ZGAXHYFTGUFMCY-SGMWPGOQSA-N	379.504	4.577	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	408791195	WKBUYPKSCDAZIE-WGARJPEWSA-N	399.416	4.806	50	40	GJGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccccn3)c(-c3ccccc3)[nH]c12	408844825	VAKOHJGYGVULCC-SAPNQHFASA-N	394.434	4.784	50	40	GJGB	
CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)cc1	408857049	MOLANMNNZSCSEV-HMAPJEAMSA-N	382.851	4.685	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1O	408989706	LMZOJHDDVXLBCU-MHWRWJLKSA-N	382.847	4.637	50	40	GJGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)Cc3ccc(F)cc3)c3ccccc32)c1	409253317	TYFOKVODYOCUIR-DICXZTSXSA-N	399.469	4.830	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)o1	3615824	PZUCNBQXRPRHIZ-DTQAZKPQSA-N	386.407	4.587	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	5289352	CAHXFNYHGXSTJZ-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(C)ccc3C)C3=C2CCCC3=O)cc1	6627294	NYMZIOXUBYENTO-HSZRJFAPSA-N	383.495	4.917	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1	59501496	GXTZKHKLEBSVNJ-VULFUBBASA-N	383.495	4.896	50	40	GJGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2ccnc3ccccc23)cc1	73386596	BEIQUHPCCPRYMS-BUVRLJJBSA-N	387.314	4.965	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)o1	408590300	OQMJBKIUXRSCLG-DHRITJCHSA-N	389.430	4.802	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409239774	FCTPXTGJWDMQPL-UUYOSTAYSA-N	388.851	4.916	50	40	GJGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	954241	GNJHHFKNYRKZIK-OQLLNIDSSA-N	381.407	4.558	50	40	GJGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1	1003433	PYNASVKCSAYDFI-ZVHZXABRSA-N	385.423	4.576	50	40	GJGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H]1CCCC[C@H]1I	2386438	OPDPCHBOZHWKOZ-PHDIDXHHSA-N	378.069	4.813	50	40	GJGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1	102026185	FUIMFQQUCKQBJO-BEFAXECRSA-N	393.487	4.602	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccs3)o2)cc1Br	409145116	MJMWZKRAJYEKKN-VXLYETTFSA-N	389.274	4.843	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)o1	1191443	AOIHQTGVDVCCRQ-SDNWHVSQSA-N	391.358	4.848	50	40	GJGB	
O=C/C(=C/Nc1cccc(Br)c1)c1nc2cc(Cl)ccc2o1	5338044	QZHFDOZTDMIZHK-NTMALXAHSA-N	377.625	4.896	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1cccc2ccccc12	8382643	WWGMSLDGQLCPBW-IBGZPJMESA-N	382.398	4.587	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC	30802772	WASHTKKOLWGQCM-JRWMAURKSA-N	394.515	4.645	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccnc1)[C@H](C)CC(C)(C)N2C(C)C	223591716	NJUAAPRWKCKQTC-NFXIUMSZSA-N	378.520	4.655	50	40	GJGB	
CC1CCN(C(=S)c2cccc(OC(=O)/C(C#N)=C/c3ccccc3)c2)CC1	408755019	XTNGDDCUWZLHNK-XSFVSMFZSA-N	390.508	4.607	50	40	GJGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1	409000602	UCJQBUPHAKZLNQ-UQQQWYQISA-N	388.515	4.704	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(OCC)c1	409015783	FUXBPJJGHUMBJD-UUYOSTAYSA-N	386.835	4.648	50	40	GJGB	
CC(C)n1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)c2ccccc21	409158420	YEHJGDLCFQEIAD-AFUMVMLFSA-N	385.467	4.905	50	40	GJGB	
O=C(O)c1ccccc1[C@@H](Br)[C@H](Br)c1ccccc1	1727336	NWIXCCOPMLPXJA-ZIAGYGMSSA-N	384.067	4.957	50	40	GJGB	
CCCCCCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1	2166235	OZSOLDNXLXRTOR-HZHRSRAPSA-N	388.895	4.828	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	3034537	NEADICNGLLWDBY-SSDVNMTOSA-N	379.287	4.820	50	40	GJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)c1	5942910	NIENQUKVSVCGIW-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408765051	ZBTPCCNLANYMQQ-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
Cn1c2ccccc2c2cc([C@H]3[C@H]4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	2769832	SUXMTDFHBNMSGN-MBSDFSHPSA-N	389.462	4.535	50	40	GJGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@@H]2C1	16037125	OYZPBJXCKCMVDS-AKCHCHLHSA-N	392.453	4.831	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	16439818	WPAQMSJNSHGQKG-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	33773413	NNWNZHRXMHOJCC-SSZFMOIBSA-N	398.304	4.841	50	40	GJGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408582746	PUNICQDEMQWHGA-OQLLNIDSSA-N	388.261	4.929	50	40	GJGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)c1	409003780	UVALCFXTYVUGFX-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
O=C(N/N=C\c1cccc(Br)c1)c1cc2cc(Cl)ccc2o1	409022614	CPJFAOLYNFVUHF-OCKHKDLRSA-N	377.625	4.613	50	40	GJGB	
CCCCc1ccc(C(=O)Oc2ccc(C(=O)CBr)cc2)cc1	3064755	YVPLBXHELJMGKJ-UHFFFAOYSA-N	375.262	4.826	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1cccs1	4675086	AJJRCALETODGMQ-CPNJWEJPSA-N	397.503	4.974	50	40	GJGB	
N#CC(C#N)=C(Nc1ccccc1)SCC(=O)C12CC3CC(CC(C3)C1)C2	6616020	NWKMLXRKPIQXHD-UHFFFAOYSA-N	377.513	4.876	50	40	GJGB	
COc1ccc2ccccc2c1/C=C1\C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21	33286226	JOQQEDRCQVWJPF-LICLKQGHSA-N	378.435	4.857	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	111506602	XYMJFNYGOYWQEF-UYRXBGFRSA-N	399.450	4.646	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)o1	408541529	CZPJLWLGKDMHPT-GDNBJRDFSA-N	390.351	4.626	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@@H](C)C2	942684	ZZSMYUYNWWDDIC-RGHBXIHOSA-N	394.496	4.595	50	40	GJGB	
O=C(/C=C/c1ccc(F)c(Br)c1)c1ccc(O)c(CCCl)c1	12887986	ZQKJVMBELPRDRL-GORDUTHDSA-N	383.644	4.971	50	40	GJGB	
Cc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	13896612	BYRDYQWMKDVNGB-MHWRWJLKSA-N	390.424	4.572	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC	408983707	NPKINSQJOMWUEZ-MLPAPPSSSA-N	391.254	4.865	50	40	GJGB	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl	585083009	YPMNNFRLSOMIEL-XCVCLJGOSA-N	395.189	4.679	50	40	GJGB	
CCCCCOC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	3159542	QMEDUOXZLQDKRD-QWHCGFSZSA-N	378.104	4.620	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	408719902	PAZXSPHNAJQEQJ-SSDVNMTOSA-N	390.936	4.758	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409004754	BTWFWGAANWSWJC-HAHDFKILSA-N	391.427	4.691	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	409068764	BXDNYPHWGLRZLP-XSFVSMFZSA-N	388.467	4.843	50	40	GJGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)c2ccccc2n1	1003407	CLOUJJGMPFHDOX-OEAKJJBVSA-N	387.464	4.736	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1	41120679	UOKVFGITDWLBON-DTQAZKPQSA-N	376.485	4.688	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br	408758796	RIMSFRITGSOTLX-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2C(F)(F)F)c1	59473709	JBQKMRWVJNFJNG-AUEPDCJTSA-N	380.435	4.706	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408790832	RHTCITULXGDBLR-MDWZMJQESA-N	389.238	4.809	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408796487	YKXSKHYXSZQOTO-AWNIVKPZSA-N	391.254	4.865	50	40	GJGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C)c2)s1	954289	CEIIZEUWIGRYJK-LDADJPATSA-N	389.480	4.597	50	40	GJGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1	4311889	OYZPBJXCKCMVDS-IIMJZQEZSA-N	392.453	4.831	50	40	GJGB	
Cc1cccc(C)c1OCC(=O)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1	6412991	SSGZVPXQRDFSFN-UHFFFAOYSA-N	396.531	4.682	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1-n1cccn1	44262023	ZPYLSNBRWMDDMJ-UHFFFAOYSA-N	381.650	4.589	50	40	GJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	59513547	AFJHJCJYTWTNRD-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(C)=O	408543869	SFJJPCUARSQEIA-LICLKQGHSA-N	375.428	4.568	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc(C)c1	408768241	DCAVVWBKUJMHJH-NVMNQCDNSA-N	398.890	4.668	50	40	GJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1	408793994	HMJJXXWJLYUCEI-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408796185	OJPDSWQCRHWPNA-KPKJPENVSA-N	377.227	4.643	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(O)cc1	408940348	UXKOSIAYUKOBCT-WQRHYEAKSA-N	388.398	4.656	50	40	GJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1	6563032	OUSSTXZXMWJGHR-MFKUBSTISA-N	396.450	4.557	50	40	GJGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	17051798	UTADVCOMRFGWHO-SFQUDFHCSA-N	375.453	4.882	50	40	GJGB	
Cc1ccccc1OCCCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1	41078010	WUEFHXXDKNKMHC-XIEYBQDHSA-N	388.467	4.607	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409232310	NTWQPMNYGQNOJN-RQNDZEIBSA-N	399.288	4.632	50	40	GJGB	
CSc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1	2380752	NBHDCXFJOGAWNY-MHWRWJLKSA-N	394.315	4.509	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	5739678	ZUQOSPMXLAQYNI-MOSHPQCFSA-N	389.886	4.971	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)CSc1ccc(Cl)cc1	6963897	ZUTXBCNMPRQTKF-JMIUGGIZSA-N	383.300	4.635	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	13810232	LSXXLTLJCQSECP-PDGQHHTCSA-N	386.411	4.548	50	40	GJGB	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	22699165	SJEJIVGQGBKNDA-WMZOPIPTSA-N	392.590	4.578	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1O	59678437	RVVGRDXCIGMXND-YBEGLDIGSA-N	382.847	4.718	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnc(-c2ccccc2)nc1	65513760	KMVBNJHFAFVHCZ-UHFFFAOYSA-N	393.661	4.861	50	40	GJGB	
Cc1ccc(COc2ccc(C(=O)Cl)cc2I)cc1	217710184	MOXCFBZQRVEWTG-UHFFFAOYSA-N	386.616	4.558	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	408876744	QRKBVNOJSWYDHB-XNTDXEJSSA-N	385.261	4.566	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408963553	FOBVNOGFYOBQCU-UKWGHVSLSA-N	379.268	4.981	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1	985296	KKKHFEQAEDBSAI-VFNWGFHPSA-N	390.870	4.857	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)c1	1257995	FADMTGAOSIHOEI-GXDHUFHOSA-N	377.425	4.524	50	40	GJGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2cccc(Cl)c2)cc1	3175039	PDJOHNZVFFRYGF-PFRBSUFTSA-N	388.895	4.827	50	40	GJGB	
CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	6024185	IRZDJIWMHNORGV-KRWDZBQOSA-N	385.876	4.631	50	40	GJGB	
Cc1ccccc1/N=C/c1cc2c(cc1O)OC(N)=C(C#N)[C@H]2c1ccccc1	15973976	TVDWYOQSWMULRX-HEMYWOPUSA-N	381.435	4.669	50	40	GJGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2C1	20348014	ZFYSAVGGCFAPFH-ZBFHGGJFSA-N	381.526	4.524	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c1	208191979	NFYGPCKFPRJJAQ-CJMVGXJBSA-N	389.499	4.963	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1O	408981674	CHNOEOKMKIOPAQ-MLPAPPSSSA-N	391.254	4.952	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1Cl	409018766	ZCNWTUUAUPNPGO-UPVZUOOXSA-N	387.911	4.696	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(C(C)C)cc1Cl	704115	JRKRPPHTCLESHK-BHGWPJFGSA-N	383.879	4.782	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1	20764478	BBCJAIJPUOHHNA-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
CCOC(=O)/C=C\c1ccc(OC)c(Oc2ccc(CBr)cc2)c1	83291666	HLOHLFWBELKCGZ-XFFZJAGNSA-N	391.261	4.959	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccccc1Cl	408799431	ZBGDLWSRONEFQC-RVDMUPIBSA-N	392.798	4.844	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1	408874344	AGKADQPVKAEKRP-HMMYKYKNSA-N	386.426	4.971	50	40	GJGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(O)cc1	409379089	VIBCJBKGQRVMJF-KAMYIIQDSA-N	397.356	4.747	50	40	GJGB	
CCN(CCCl)Cc1csc2ccc(I)cc12	976683	FULXVSXSUXRRFA-UHFFFAOYSA-N	379.694	4.567	50	40	GJGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c(O)ccc2ccccc12	1092179	AEOCENWBTYXONZ-FYHAJLKWSA-N	383.451	4.649	50	40	GJGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccc(Cl)cc1	1469470	ODIXKEQJVQPWAD-BUVRLJJBSA-N	379.891	4.714	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(F)c1	1516370	GFFPAJXMKMAOKX-GXDHUFHOSA-N	377.331	4.540	50	40	GJGB	
COc1cc(/C=C/C(=N/C(C)=C/C#N)c2ccc(C)cc2)cc(OC)c1OC	12338608	ODMSIAXFUIPLQT-MCIMSSQOSA-N	376.456	4.951	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408737095	IKCYUVZNFCVDMB-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OCC	850119	SELJUPRPDAHJRQ-QFIPXVFZSA-N	386.451	4.855	50	40	GJGB	
O=C(O)[C@@H](c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1	1702654	DXCWSQTZKDNJLI-KRWDZBQOSA-N	386.706	4.841	50	40	GJGB	
COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	20247335	GVIYEXOIABIHGY-ZVHZXABRSA-N	388.492	4.649	50	40	GJGB	
COc1ccccc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	33360414	UZJNMDQXTVVKRO-XYGWBWBKSA-N	381.435	4.674	50	40	GJGB	
Cc1cccc2[nH]cc(C(=O)/C(C#N)=C/c3cccc(NC(=O)C(F)(F)F)c3)c12	40139873	PLNMFMKMQBMMMU-RIYZIHGNSA-N	397.356	4.767	50	40	GJGB	
O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)CN(c1ccccc1)C2	83296174	OLUOINFVWGUWFN-CFRMEGHHSA-N	375.859	4.624	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc(F)c1	408780695	IHAMQLPKUSJLQU-NDENLUEZSA-N	378.447	4.565	50	40	GJGB	
O=C(N/N=C\c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1	33580802	TUNKNGCHHMVAFX-HAHDFKILSA-N	393.284	4.731	50	40	GJGB	
N#C/C(C(=O)CSc1nc2ccccc2s1)=C1/Nc2ccccc2S1	103061146	DVHRXFJCQHKAIY-GZTJUZNOSA-N	381.507	4.910	50	40	GJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2c(C)n(C)c3ccccc23)cc1	408850308	LBOZPHBRODBGJD-MYYYXRDXSA-N	384.483	4.658	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1	409258137	ROUDXFHCAJTVCY-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
O=C1c2ccccc2C[C@]1(Br)[C@H](Br)c1ccccc1	1745032	JUJMPSGRVCAFPK-ZBFHGGJFSA-N	380.079	4.695	50	40	GJGB	
COC(=O)N/N=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12	2287757	FWFYNFGFSVVQCJ-ZVBGSRNCSA-N	376.243	4.686	50	40	GJGB	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	33404497	DMTMBAHEYOTUAP-GDNBJRDFSA-N	392.256	4.710	50	40	GJGB	
CCOC(=O)NNC(=O)c1cccc(CSc2cc(Cl)ccc2Cl)c1	39984841	QGLRUOBAKOPVLL-UHFFFAOYSA-N	399.299	4.677	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl	1251797	RQVDPMZZDAPNRV-MRXNPFEDSA-N	398.249	4.826	50	40	GJGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1OC	3085871	HFEDGOOOGPKDKE-PXLXIMEGSA-N	386.517	4.507	50	40	GJGB	
Cc1ccc(OCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)cc1	4196557	CRVWXPDQYNAWKU-JJIBRWJFSA-N	389.455	4.608	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CSc2ccccc2)cc1	5205803	PKYUOGICRYGPOM-HZHRSRAPSA-N	376.481	4.751	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1cccc(C(F)(F)F)c1	12623849	XCKWCJNDYCJORI-AFUMVMLFSA-N	392.421	4.922	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)c1	408961000	PRKNHSHIFWQLJB-RGEXLXHISA-N	375.472	4.540	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)o2)cc1C	408992435	RYVGJLXKMCVUND-FOWTUZBSSA-N	375.453	4.988	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	409074446	ZOEICEMVRAKSAD-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2)cc1	409368047	QRFMFJBYZPRMDJ-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)SC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1	1073599	OOCCJBIWKTXAIX-HNNXBMFYSA-N	378.419	4.873	50	40	GJGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1cc(Br)cs1	2577715	LVPZWRCUIUFONO-KRWDZBQOSA-N	393.242	4.516	50	40	GJGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3cc(C)n(C4CCCC4)c3C)ccc21	3184940	RZVLDLKCKPDYRH-ZVHZXABRSA-N	391.519	4.662	50	40	GJGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1	6602893	BILLVCGXZXTHJP-UHFFFAOYSA-N	385.250	4.735	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3)c2C)cc1	6935059	VZHZQKSDDGDRGV-IWIPYMOSSA-N	390.487	4.957	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)oc2O)c1	20357274	AYWMVTWMFRNSOF-ZMOGYAJESA-N	392.455	4.613	50	40	GJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1	33579953	ZBVRKLQRHTZYNV-LFIBNONCSA-N	396.493	4.895	50	40	GJGB	
Cc1ccc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)nc1	104079408	GEYBBUKANUQMAV-UHFFFAOYSA-N	381.376	4.844	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1	408599627	XUMMBARXNNUANJ-YZSQISJMSA-N	378.431	4.769	50	40	GJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1	408897150	WGCOTYRQSPHIHU-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1C(C)C	408971418	OEWURXPWHQIKMH-FSJBWODESA-N	380.444	4.646	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4291951	VQUWVFKZJYGMNV-SDNWHVSQSA-N	377.331	4.540	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	7165162	VRDISLKYLQYWCL-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	23217598	FQOSWVIOGONUFF-NBVRZTHBSA-N	394.471	4.818	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Br)cc1	408959736	DXDCGSWZDPVOJI-SSZFMOIBSA-N	396.288	4.595	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccccc1	409393543	YFMKMOJIMKNZRN-JVWAILMASA-N	396.494	4.810	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)NCc1ccccc1	4599558	HOCZOXITPBCIIY-MHWRWJLKSA-N	380.806	4.962	50	40	GJGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12	33334808	IUOKZGDOGAXNNK-IWIPYMOSSA-N	396.406	4.574	50	40	GJGB	
C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1Br	3174486	CHTFCHVMBWDJBS-CYGNYLSHSA-N	397.272	4.520	50	40	GJGB	
C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1nc2ccccc2s1	7282684	DZAZLNHQJNKQJZ-LZCVXGSNSA-N	389.480	4.757	50	40	GJGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21	7386434	WJJDYWNDTFTRDF-LEBHPONQSA-N	388.515	4.976	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1	59473603	VUTCUHYSAAVYAT-ZVBGSRNCSA-N	381.328	4.994	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Br)s1	101389040	ZLAZPGUPLCMWTH-WZUFQYTHSA-N	383.274	4.519	50	40	GJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN1C(=O)c2cccc3cccc1c23	106824838	QWBXCFWGTGOOAY-YZSQISJMSA-N	399.494	4.660	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208203945	XLWUUUPWEHQEJE-MMTYYTLLSA-N	399.922	4.591	50	40	GJGB	
CCCCc1ccc2nc(O)c(/C=N/NC(=O)/C=C/c3ccc(C)cc3)cc2c1	409053685	HAGIQTUORDBKAB-VZAHUZKBSA-N	387.483	4.755	50	40	GJGB	
COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O	409239944	OTJNYWWSFXFOBP-WZUFQYTHSA-N	396.752	4.619	50	40	GJGB	
O=C(NNC(=O)c1sc2cccc(Cl)c2c1Cl)Nc1ccccc1	667729	BCMGBXQJCYJNDD-UHFFFAOYSA-N	380.256	4.675	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@H](C2CCCCC2)C(C#N)=C(N)O3)cc1	804040	HQLCKBSCTRYEFW-GOSISDBHSA-N	380.517	4.761	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(-c2ccccc2)cc1	3273751	DOILQFZUFSDXMK-RCCKNPSSSA-N	396.450	4.601	50	40	GJGB	
COC(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	4526002	PFODWBIZNNKLBT-DNTJNYDQSA-N	387.650	4.916	50	40	GJGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2cccc(F)c2)cc1	19830851	QPXYFOGXBSQKIE-HXOBKFHXSA-N	388.442	4.719	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1	35253442	KMYHAZMXVKRELF-STZFKDTASA-N	379.419	4.683	50	40	GJGB	
CCCCCCCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	408736888	BNNUONTVMHOPRC-HAVVHWLPSA-N	397.475	4.637	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1	4190736	KXUSQCFFGLQWAM-QTIAZGMTSA-N	383.319	4.907	50	40	GJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	10475809	VSJAVVAZDQKMRG-ZVHZXABRSA-N	396.874	5.000	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1	13955294	WZXARQIIWHMAFL-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
N#CC1=CN(c2ccc(Oc3ccccc3)cc2)c2cccc(F)c2S1(=O)=O	44167931	ROESKHSIVNHZMR-UHFFFAOYSA-N	392.411	4.908	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408771382	GASMILFDQNJORN-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
Cc1ccccc1COc1ccc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1	409368817	NZDVLBMEVAEKMH-FQEVSTJZSA-N	391.540	4.917	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C/c2ccccc2Cl)c2cccc(C)c2n1	685530	ZYVJUTQJPPZVEM-SSDVNMTOSA-N	383.904	4.747	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	21319617	DEKTXBNKTDSOIT-SWEABUAFSA-N	394.496	4.595	50	40	GJGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)C(c1ccccc1)c1ccccc1	39387568	WKLBAHUYLGLYHA-ONUIUJJFSA-N	380.447	4.828	50	40	GJGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	59473016	HVFCMLIWTZGISL-JJIBRWJFSA-N	390.508	4.898	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(C)c(Cl)c1	409012045	IOSLEOIDKPTUQB-XKZIYDEJSA-N	382.851	4.603	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)Cc1cccc2ccccc12	6235824	TVXLLKISKKOYMD-WGOQTCKBSA-N	389.474	4.580	50	40	GJGB	
O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(CBr)cc3)s2)c1	43224418	UKZUVFXMUMFNJS-UHFFFAOYSA-N	376.235	4.675	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1	169881195	NSDBEGTXKOADCS-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408877139	QEORDZCRHMHDPK-FFIPTVRYSA-N	385.511	4.966	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1cccc(OC)c1	409017051	VVCWWNGQCPDFQP-UQQQWYQISA-N	390.483	4.720	50	40	GJGB	
CC1(C)CCC[C@]2(C)C(CBr)=C(CBr)C(=O)C[C@H]12	3117181	DMTHIPXSMWHVAP-UKRRQHHQSA-N	378.148	4.878	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2C[C@@H](c3ccccc3)CC=C12	5596006	SVKRRWGGOBPWRH-IEIRFRATSA-N	376.463	4.674	50	40	GJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CNc3ccc(C)cc3C)ccc21	5737511	IDGYGXHNCANURW-JFLMPSFJSA-N	398.510	4.993	50	40	GJGB	
CC1CCC(=NNC(=O)CCCCCCC(=O)NN=C2CCC(C)CC2)CC1	5915672	IQVHGIRMINGDBC-UHFFFAOYSA-N	390.572	4.692	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1C[C@H]1CCCO1	7654056	IWIBSIUBBGHLJW-LYRGBEMXSA-N	399.494	4.983	50	40	GJGB	
Cc1ccc2c(c1)[C@H]1[C@H](CC2)[C@H]2C(=O)OC(=O)[C@@H]2[C@@H]2CCc3ccc(C)cc3[C@@H]12	103995598	YILBBFLJFLDAFW-QQDJQPFDSA-N	386.491	4.625	50	40	GJGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)c1	409218745	KEHHFYWXDZTFQZ-OYKKKHCWSA-N	392.842	4.632	50	40	GJGB	
N#CC1=C(N)S[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1	4786263	QUCGQQOMMYOSLR-LKTSBXNISA-N	382.504	4.504	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br	5746918	PCYXUHVYCJTSRR-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)Nc1ccccc1C(F)(F)F	17081251	RWDJTNRHTYEFBQ-UHFFFAOYSA-N	397.422	4.502	50	40	GJGB	
Oc1cc(O)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	60294362	UJSQHLFIDUUCAT-UHFFFAOYSA-O	385.423	4.592	50	40	GJGB	
O=C(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl	95696985	HNDCMJCNRXFMQR-IMJSIDKUSA-N	381.861	4.663	50	40	GJGB	
C[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	102111598	PJHMAOCKSPUCKZ-CYBMUJFWSA-N	388.452	4.664	50	40	GJGB	
Cc1cc2c(cc1/C=N\NC(=O)CCc1ccccc1)[C@@H](C)CC(C)(C)N2C	208209783	RWHYYAPGHCIHGV-SAHIIKMKSA-N	377.532	4.800	50	40	GJGB	
COc1ccc(C)cc1-n1c(C)cc(/C=N/NC(=O)Nc2ccccc2)c1C	217038954	WXEZFEIHNCQSAK-OEAKJJBVSA-N	376.460	4.567	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(C#N)cc1	409240850	QFAGRNPSWLAXNR-PVFDWLMNSA-N	394.478	4.750	50	40	GJGB	
O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1	5753081	LCKABJMQALFZLZ-IBGZPJMESA-N	394.814	4.691	50	40	GJGB	
O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	89780798	SIHIMUMABXBROD-KRWDZBQOSA-N	392.242	4.555	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccc(Cl)cc1Cl	100931130	DOSCQYVIWYWIRQ-LSHDLFTRSA-N	398.677	4.781	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCC1	101383565	VYVRTRJXZIKDMH-AQTBWJFISA-N	380.875	4.885	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c4c(cccc24)CC3)cc1	408753876	KUDKEDLMQWYEIX-XSFVSMFZSA-N	396.446	4.661	50	40	GJGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)Cc3ccccc3)c3ccccc32)c1	408998265	IRECFPORQQMYNM-WGOQTCKBSA-N	381.479	4.691	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccccc1Cl	409261519	CPMNYTALBHGGHN-WSDLNYQXSA-N	392.286	4.561	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)n1	409375276	IFGFTBMQXFVINR-YBFXNURJSA-N	391.858	4.980	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)c1	1445407	CWYURRLGGJZPKQ-FQEVSTJZSA-N	389.524	4.997	50	40	GJGB	
N#C/C(=C/Nc1ccc(Br)cn1)c1nc2cc(Cl)ccc2o1	5338204	OQBASDYGEZTANH-CLFYSBASSA-N	375.613	4.615	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(F)c1	16268544	ROONBKKUIUFYLD-BOPFTXTBSA-N	377.394	4.918	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208249879	YWCQTFUEXJQNEH-KIQCMGJBSA-N	399.922	4.835	50	40	GJGB	
Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1	408850192	HTMRWYRZMMDVRE-BKUYFWCQSA-N	397.276	4.704	50	40	GJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408995273	BGPHHKDHSNMYPN-LDADJPATSA-N	392.459	4.604	50	40	GJGB	
C#CCn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	409390595	FORUUPKMOSKVMW-OVVQPSECSA-N	391.474	4.557	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)[nH]c2c1	409391737	KZENVYRMKKIODT-UVTDQMKNSA-N	399.406	4.902	50	40	GJGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc(Br)cc1	1062042	DODLEFJRNDAAMA-SFHVURJKSA-N	377.241	4.820	50	40	GJGB	
CCCCCCc1cc(C(=O)N/N=C\c2ccccc2O)c2ccccc2n1	4720824	LRQQSZRGGIWNLR-JLPGSUDCSA-N	375.472	4.827	50	40	GJGB	
CC/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1	5783946	QKTWBJBPHBQHHQ-WJTDDFOZSA-N	388.467	4.575	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	40865459	LIVOJLPOQNAQKR-GHRIWEEISA-N	379.416	4.628	50	40	GJGB	
Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	409038732	VQUXMPPMMVVRSO-JVWAILMASA-N	395.462	4.765	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1	409247196	GTKGVHCLFIPBCO-FXBPSFAMSA-N	384.479	4.894	50	40	GJGB	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)=C(N)O2	664782	SEKKMUIJAIOFRD-MRXNPFEDSA-N	394.862	4.839	50	40	GJGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCCC3)o2)c(Br)c1	1406823	QOWKZYKNLUSOKF-NTCAYCPXSA-N	399.288	4.937	50	40	GJGB	
N#C/C(=C\c1cc(Br)cc2c1OCOC2)c1nc2ccccc2o1	5025155	ZNZXQUCNZSXDAN-LFYBBSHMSA-N	383.201	4.521	50	40	GJGB	
CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1	19830976	PVPCBLLASQCJLC-POEBIKTISA-N	383.495	4.558	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC(=O)c1ccccc1C	39315684	VXVAHHOFEXSILB-SFQUDFHCSA-N	377.440	4.745	50	40	GJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1	59198777	ZCSYRHMVXOUGSL-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCC	409068796	VYVVWNCMMCARIJ-DEDYPNTBSA-N	390.483	4.985	50	40	GJGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccccc1	2726874	DFTCOQIZLNOGGY-LDADJPATSA-N	386.382	4.591	50	40	GJGB	
CSc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1	4719785	IRZWLWFLHOQUKN-HZHRSRAPSA-N	376.481	4.605	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl	7386340	JTGPCIIKVICWDJ-DTVDJLOLSA-N	399.922	4.881	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	408870075	VCGLOBGEDXJYTJ-LSHDLFTRSA-N	395.286	4.557	50	40	GJGB	
O=C(N/N=C/c1ccco1)c1ccc(CSc2nc3ccccc3s2)cc1	3239761	XELAYVOQEXNTOT-CIAFOILYSA-N	393.493	4.946	50	40	GJGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1ccc2ccccc2c1	5342638	BNMCPMHKIHBCLS-MFKUBSTISA-N	393.874	4.936	50	40	GJGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCC(=O)O)n2)cc1	8237521	QHINXSKJIJOPLO-LICLKQGHSA-N	376.437	4.646	50	40	GJGB	
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1cccc(Br)c1	15134870	ALBGXUMJIYFWGE-OEAKJJBVSA-N	396.288	4.555	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccco1	408958445	YWFALVUETMRGJF-JJIBRWJFSA-N	376.456	4.525	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OC(C)C	409009560	AXNHCCZOGSKPPU-UFFVCSGVSA-N	381.259	4.553	50	40	GJGB	
N#C[C@H](c1ccccc1)N(CCCCl)C(=O)c1ccc(Br)cc1	2305047	VQQCWJOKBTWVIO-QGZVFWFLSA-N	391.696	4.785	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)ccc1C(C)C	3173319	DHFCHBRCAGRCFW-BHGWPJFGSA-N	378.394	4.666	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	5490723	BQCNOQKFQYBUAM-HXUWFJFHSA-N	384.483	4.802	50	40	GJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)c1	13631752	BOEQCGMNAKZRQW-QHDLCEMNSA-N	383.451	4.676	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	20764312	JKMPWEGOBHRAST-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c2ccccc2cc2ccccc12	58900071	GZDFPLMSPPCACT-JOCHJYFZSA-N	384.435	4.638	50	40	GJGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59513552	ADVPSKXTVKWWMA-LPYMAVHISA-N	384.888	4.673	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1[N+](=O)[O-]	408592505	YTAFQXVGKXAMNS-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc2ccccc12	408757770	BUDWORCQVXQPSM-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(O)cc1	408792468	AETBNCANIJSFRL-LDADJPATSA-N	388.398	4.656	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1ccccc1	409072835	LHOKLHNXRNHQNE-MOSHPQCFSA-N	398.418	4.509	50	40	GJGB	
COc1ccc([C@H](Br)[C@H](Br)C(=O)C(C)(C)C)cc1	1593868	BTDBQRMHANTBQI-RYUDHWBXSA-N	378.104	4.510	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(Cl)c1	5724477	BZTVEGDGRBGHRM-WSDLNYQXSA-N	392.286	4.561	50	40	GJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCC	408846434	JLWHNZIDSIHGBK-IWIPYMOSSA-N	392.455	4.723	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1	408922809	GQZBGLMYVCNISP-LDADJPATSA-N	386.411	4.548	50	40	GJGB	
CCCCCCOc1ccccc1/C=N/NC(=O)COc1ccc(C)c(C)c1	3089685	UFZLIRCLSYBMMU-LFVJCYFKSA-N	382.504	4.792	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(O)c1	4711222	SUIGFHUTXGKGMP-DEDYPNTBSA-N	385.467	4.937	50	40	GJGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc1	58871447	RZZRXXVINBRTMY-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Cl)c1O	408744168	JKOCYFJQTCBUTO-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@@H]([C@H]2C=CCCC2)C(C#N)=C(N)O3)cc1	663791	LHFVVKPCXNHLOM-KSSFIOAISA-N	378.501	4.537	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@H]([C@@H](C)c2ccccc2)C(C#N)=C(N)O3)c(C)s1	987157	KQGNNJYOJBLPNH-YVEFUNNKSA-N	376.485	4.729	50	40	GJGB	
Cc1c(/C=N/NC(=O)Cc2ccccc2)c2ccccc2n1Cc1ccccc1	1251056	OBCFOXCXTYRJGY-YZSQISJMSA-N	381.479	4.691	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1	4822005	PXUQIQBVUNPZKY-NVNXTCNLSA-N	393.424	4.800	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)c1	6174805	GTLBSRVARQQRRB-CXUHLZMHSA-N	378.453	4.900	50	40	GJGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1	20248638	AYBKEACBJKOLIA-PXLXIMEGSA-N	399.516	4.666	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(C#N)cc1	33407562	UAAWGUKXLDKFGI-YSMPRRRNSA-N	380.407	4.520	50	40	GJGB	
C[C@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682093	WLYIWDUYKMKZDR-IMJSIDKUSA-N	388.011	4.668	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	408962338	HOHIVAPRDXNQRT-MXAYSNPKSA-N	385.389	4.877	50	40	GJGB	
O=C(c1cc(C(F)(F)F)ccc1Cl)[C@@H](Br)CBr	575360947	UOICLRNJCKMWJP-ZETCQYMHSA-N	394.412	4.700	50	40	GJGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C1	4311888	OYZPBJXCKCMVDS-NBQZKYEYSA-N	392.453	4.831	50	40	GJGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	14003050	JXOJNIWZBXTXPE-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCC2)cc1	33658549	LHWIZUAVEUITFO-KOEQRZSOSA-N	387.483	4.603	50	40	GJGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC	408531999	NEDDXGPOVHPMJD-ULJHMMPZSA-N	382.504	4.981	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1	408740797	MOPJHQQLAXWVJA-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc2ncccc2c1	408965446	HNPVYCHSABSDIV-VULFUBBASA-N	386.430	4.545	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409255322	HGPOTISKEQGPDL-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	20197682	XNFDZBOQIUORRL-PCLIKHOPSA-N	389.499	4.955	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1	28216379	NIOYJYPXCJEZEJ-FSTGKYBXSA-N	377.513	4.725	50	40	GJGB	
Cc1ccc(-c2nc(P(=O)(c3ccccc3)c3ccccc3)c(S)o2)cc1	97953865	JMMHNTHFABDZOP-UHFFFAOYSA-N	391.432	4.578	50	40	GJGB	
N#C/C=C/C(=C\Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	100406351	CCYXHRYWHNORON-QCKOWFMMSA-N	378.375	4.512	50	40	GJGB	
COc1cccc(/N=C/c2ccc3c(c2)[C@H](c2ccccc2)C(C#N)=C(N)O3)c1	100668799	QOZTVAYVSPXOOY-HGQHNSGJSA-N	381.435	4.664	50	40	GJGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCC3)o2)c(Br)c1	409189866	JOGLWRIMHXMJTQ-SDNWHVSQSA-N	399.288	4.983	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12	4513015	UVEIYQDSFCZRRN-OQLLNIDSSA-N	384.266	4.741	50	40	GJGB	
CCOc1ccc2cccc(OCC)c2c1/C=N/NC(=O)Nc1ccccc1	98087121	BOYQQIXGPCDBLH-HZHRSRAPSA-N	377.444	4.793	50	40	GJGB	
COc1ccc([C@H]2C(C#N)=C(SC)N=C3CC(C)(C)CC(O)=C32)cc1OC	104139978	NCMHJEIOBDIMBM-SFHVURJKSA-N	384.501	4.972	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc2ccccc2c1	408599698	YRVYWNBNPYQNNT-ZVHZXABRSA-N	384.391	4.562	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1C	408743845	HQUDBXDSCBNYNG-KAMYIIQDSA-N	394.272	4.795	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc2ccccc2c1	408994514	HVIZMFGJCXASQC-ONUIUJJFSA-N	381.479	4.940	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC)n2)c1	4263936	LWHBKRFFNODFRP-OVCLIPMQSA-N	393.424	4.800	50	40	GJGB	
CCN1C=C(Cc2ccccc2C)C2=C(C1)[C@@H](c1ccccc1C)C(C#N)=C(N)O2	19827634	DPUVNPKNPUCWQE-DEOSSOPVSA-N	397.522	4.827	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2nc3ccccc3[nH]2)CC1	31176278	QZDUAAIEIBRLDQ-MRXNPFEDSA-N	389.590	4.983	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(C)cc3Cl)c2c1	409055550	ZKPUWRCYKYBAIW-FSJBWODESA-N	382.847	4.583	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1O	1095528	JJSOPCWIELLEKM-BJMVGYQFSA-N	397.645	4.907	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)ccc1C(C)C	3173312	JXOHNXPWDZPROB-BHGWPJFGSA-N	378.394	4.666	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2C1	4412420	MMOKWALZZWULFC-OAHLLOKOSA-N	381.526	4.530	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(SC#N)c1C	7345648	QYTSGLGTOBPSCY-UHFFFAOYSA-N	380.878	4.712	50	40	GJGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1	40889243	TVSXDXJCKVIFOC-HAHDFKILSA-N	382.463	4.797	50	40	GJGB	
C[C@]1(C(=O)N/N=C/c2ccc(Cl)cc2)NC2(CCCCC2)Cc2ccccc21	408734252	MHNXYQRITARVFM-LWROZRRASA-N	395.934	4.554	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(OC)c1	408870336	VXYPHSLACGAITB-OVCLIPMQSA-N	385.261	4.566	50	40	GJGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1	408960195	DKFLFJCNQCBNSK-FMCGGJTJSA-N	391.427	4.726	50	40	GJGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	409186617	FPMDXARRLDVHDF-MTJSOVHGSA-N	391.456	4.771	50	40	GJGB	
CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1	753115	SJHJOUOICQCBIB-SFHVURJKSA-N	381.526	4.754	50	40	GJGB	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCc1ccccc1	1717234	OJZUKCOMYQAOMB-UHFFFAOYSA-N	393.358	4.610	50	40	GJGB	
CCc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	5477263	VLXZAAMLUWKKQT-LPYMAVHISA-N	379.287	4.865	50	40	GJGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC	6958548	VGPWTXMFBCDRON-SRZZPIQSSA-N	381.259	4.555	50	40	GJGB	
O=C(CCCl)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1	16431276	JQIYROMJRLDIRV-UHFFFAOYSA-N	390.695	4.758	50	40	GJGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1	1967097	QDDNMJHTSOYGGT-HZHRSRAPSA-N	389.476	4.912	50	40	GJGB	
CC1(C)CCC[C@@]2(C)C1=CC(=O)C(CBr)=C2CBr	3115925	RZDOUTIADFFOBS-OAHLLOKOSA-N	376.132	4.798	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1O	33739519	VJHPFQWNBWNJPM-MLPAPPSSSA-N	389.205	4.526	50	40	GJGB	
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C[C@H](C(=O)Cl)CC1=O	45887198	JIHCPTLSBQGUNN-GFCCVEGCSA-N	389.238	4.575	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(Cl)c1	59445280	POGGIIMNDOARTF-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)c1cccc(N2Cc3cc(C)c(C)cc3C2)c1	408728959	BHIASBIWXVCGEQ-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1	408890797	ZKMAMOMFKRILER-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)c1C	409234962	BLAHBYUKJMOSOG-QFEZKATASA-N	377.463	4.543	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc2ccccc12	409246068	DLFYXPKDAVRJJB-KOEQRZSOSA-N	387.483	4.603	50	40	GJGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc(OC)c2)cs1	1243674	XGXCLILTJBDHFF-NTCAYCPXSA-N	391.452	4.582	50	40	GJGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1	5408673	MTKCVJFYZOWWQR-QGZVFWFLSA-N	376.485	4.536	50	40	GJGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccccc2)cc1	5491109	UNSDNABZABTDQO-NRFANRHFSA-N	392.414	4.678	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cccc(OC)c3OC(C)C)c2c1	44026886	RIALYTADGXNPNJ-MHWRWJLKSA-N	390.439	4.762	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H](c1ccccc1)n1cccn1	65727772	JQTARSLFMXMFNQ-MRXNPFEDSA-N	395.677	4.576	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1Br	408566353	FXVAYVFLONYYAF-LPYMAVHISA-N	387.321	4.748	50	40	GJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408567295	LKMHRDWEZIRNFR-OQFOIZHKSA-N	392.615	4.888	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)c1	408783777	MRMHUPDQGPUQSB-ZSOIEALJSA-N	385.807	4.581	50	40	GJGB	
O=C(c1ccc(Oc2ccccc2)cc1)[C@H](Br)CBr	575359215	ZMRSBKXMHAOCLY-CQSZACIVSA-N	384.067	4.820	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	3234618	WUQDJSYHEIBFCG-WYMPLXKRSA-N	378.394	4.532	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1	3255835	BPBZMLGWBVGXGV-BUVRLJJBSA-N	385.423	4.657	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	6029260	YKJSGRMNFIPJIE-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	6051224	SKKFLXQMURPTJT-JXAWBTAJSA-N	394.471	4.818	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58917826	RZNCFISOSIXMLC-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	629569	QFYPKWZVEZTGLU-GOSISDBHSA-N	397.265	4.706	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1C	3034379	NYYHIKMYZZFSQH-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c2ccccc2n1	4872060	DXCMSZDCJJLZDV-WGOQTCKBSA-N	395.462	4.886	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1	6428472	VMIFZQRHDUOPKJ-NTEUORMPSA-N	389.238	4.716	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC	39486090	LDDNRFDNCFYQTR-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1	58927257	IDXQVLJDWAGDDI-WWJLXRQJSA-N	391.540	4.866	50	40	GJGB	
COc1ccc2ccccc2c1C=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C	245241671	MKQPNDMWKUUGFY-HNNXBMFYSA-N	396.874	4.728	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(OC)c1OCC(=O)O	408814176	QJTFDPXCFJHNCT-MFOYZWKCSA-N	383.831	4.605	50	40	GJGB	
COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1O[C@H](C)C(=O)O	409012092	JAJOMQDOQPHEJV-PWDRSIHYSA-N	391.345	4.630	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	1062725	AASURNDALOOXCO-QGOAFFKASA-N	389.430	4.788	50	40	GJGB	
C[n+]1c(/C=N/c2ccc(N(CCCl)CCCl)cc2)ccc2ccccc21	1696820	DPRYPKRJRINMNX-UHFFFAOYSA-N	387.334	4.699	50	40	GJGB	
COc1ccc(-c2csc(NC(=O)CCCCl)n2)cc1Br	6736701	QPTQIQZFNKSIQU-UHFFFAOYSA-N	389.702	4.539	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	35330972	UCWOFFDJPIDHCU-AQTBWJFISA-N	399.425	4.833	50	40	GJGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	48272741	HFLAAPCHMHNMJC-RAXLEYEMSA-N	398.800	4.658	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)c1	108141310	FXURTBVQTPKHAL-PDGQHHTCSA-N	393.462	4.679	50	40	GJGB	
Cc1ccc(/N=C2/NC(=O)/C(=C/C3=CC[C@@H](Br)C=C3)S2)cc1C	256055407	FYFHBRIAIBZMBQ-FBKCMUNRSA-N	389.318	4.688	50	40	GJGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)c1	409364625	ODSJEXUWIYFZAD-WQRHYEAKSA-N	387.391	4.916	50	40	GJGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1	713483	DIMKJEDHNHRUCT-HSZRJFAPSA-N	399.494	4.699	50	40	GJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1	4981937	LTLXAZMHCJHUNQ-CXHGCJEXSA-N	385.254	4.813	50	40	GJGB	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1	6561708	CSSKYTYEYUDBQB-XDHOZWIPSA-N	388.446	4.541	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	13135203	QUDAWINAVUMDKB-XMHGGMMESA-N	377.465	4.885	50	40	GJGB	
C/C(=N/NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C)o1	38204712	QFZWHEKKEMOOOE-HAHDFKILSA-N	382.847	4.974	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1Br	211476021	GQGFTEVBXCSMSQ-DHDCSXOGSA-N	385.261	4.620	50	40	GJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1C(C)C	409236796	GAEJQCZQYPGGTC-STZFKDTASA-N	376.500	4.783	50	40	GJGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCO3)cs1	4311531	NXYXNTZCTLLWLC-AUWJEWJLSA-N	377.381	4.511	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(C)s1	8680705	NVKHVNLAXSFFOV-HNNXBMFYSA-N	382.876	4.627	50	40	GJGB	aggregator
CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1	19830975	PVPCBLLASQCJLC-YSSBIZNGSA-N	383.495	4.558	50	40	GJGB	
CCc1cc(Cl)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12	20133393	YSHOBOZKZOYBRV-LLVKDONJSA-N	375.719	4.870	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccccn1	36834853	VFXWJLVFRYZEPF-XSFVSMFZSA-N	383.451	4.823	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	59437052	BNTZUSIGMZKGQB-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
CCOC(=O)CC[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1	104121355	PXOCZNZKOAYVTE-UHFFFAOYSA-N	378.452	4.541	50	40	GJGB	
c1ccc([PH](Cc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1	104130952	QRKRUDKWPYZOHM-UHFFFAOYSA-N	398.442	4.642	50	40	GJGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(N2Cc3ccccc3C2)cc1	408734337	WPMPJKPWCQURDF-ZMOGYAJESA-N	375.859	4.624	50	40	GJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(O)c2)cc(C(C)(C)C)c1O	408766138	ZRAULERXHNFJAO-MFKUBSTISA-N	396.531	4.776	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	409367550	FICBHOBMILJWQV-GZTJUZNOSA-N	387.405	4.642	50	40	GJGB	
Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C\CCc2ccccc2)c1	4462484	HRPOJGIBNHJWET-XYGWBWBKSA-N	385.467	4.596	50	40	GJGB	
O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1ccc(C(F)(F)F)cc1	5800559	OIZQIMJIBZWEPX-LGJNPRDNSA-N	395.384	4.964	50	40	GJGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc2ccccc12	6423359	KWUQAXJHFWHKNB-XMHGGMMESA-N	385.423	4.649	50	40	GJGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1	20133096	HDSYWMMRNPQAGC-ZDUSSCGKSA-N	396.354	4.789	50	40	GJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)ccc21	33806853	FXAJSTPAHLSGQW-MFKUBSTISA-N	398.466	4.537	50	40	GJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408886952	MZPXKFLZLRAXHF-IZZDOVSWSA-N	395.724	4.813	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)[C@H](C)Cl)cc1	2275836	PWOVEWROYIBIPU-GUYCJALGSA-N	377.893	4.590	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OCC(C)C	6948761	GOBVUYYQBBXAQY-GIJQJNRQSA-N	394.471	4.667	50	40	GJGB	
CN1/C(=C\C=N\NC(=O)c2cc3c(s2)CCCC3)C(C)(C)c2ccccc21	12530631	CIBCIPVEOMLCDM-SWZQWKNLSA-N	379.529	4.654	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(C)C)cc1	33787704	FPZOZWLUGROTDJ-ZVHZXABRSA-N	376.456	4.647	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	35062951	YBAKSEFLACFWPK-JJFYIABZSA-N	387.222	4.516	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408871635	IASHCMVNCDPIBM-NTUHNPAUSA-N	389.224	4.533	50	40	GJGB	
O=C(CCCCl)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12	5106983	WJYYNHFSOUXKMH-UHFFFAOYSA-N	392.789	4.921	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2	5288363	QTSXLXGMNUOUNP-YDZHTSKRSA-N	391.298	4.791	50	40	GJGB	
CCOC(=O)/C(C#N)=C(\C=C\c1ccc(N(C)CCC#N)cc1)c1ccccc1	6318938	XEIRFPFWSHHSCK-XNZPFCJJSA-N	385.467	4.590	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C	100469297	HYXFPAKONXCGJP-WQRHYEAKSA-N	392.484	4.604	50	40	GJGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1O	108173246	OQERHVSXUKXWIX-KPKJPENVSA-N	399.453	4.966	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccccc1Br	408992646	ARKGFILUWNXMOE-XKZIYDEJSA-N	396.288	4.621	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(O)cc1	409016811	ABGBITGMTNDEOV-QINSGFPZSA-N	377.831	4.690	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1	409234287	KHNQOGXBMBCUAH-HZHRSRAPSA-N	376.481	4.919	50	40	GJGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1	1106760	WVCHWLNJRWWTFK-YDZHTSKRSA-N	381.863	4.759	50	40	GJGB	
O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)cc1Cl	1465442	FFUAUPZORPKJLC-UHFFFAOYSA-N	393.299	4.634	50	40	GJGB	
COC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C(F)(F)F)ccc2Cl)c1C	2663151	RGKBESLAVBQMKU-NTUHNPAUSA-N	382.769	4.846	50	40	GJGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1	4672330	GBLZBNPYRRHVEY-HMMYKYKNSA-N	383.403	4.704	50	40	GJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1	4677660	SFMQSURVQUEZTQ-RPOCDWGESA-N	385.254	4.813	50	40	GJGB	
O=C1c2ccccc2C[C@]1(Br)[C@@H](Br)c1ccccc1	1745030	JUJMPSGRVCAFPK-HOCLYGCPSA-N	380.079	4.695	50	40	GJGB	
C/C(=N\NC(=O)Cn1c(C)nc2ccccc21)c1ccc(-c2ccccc2)cc1	33042807	VMXBVKBROMDCPK-YZSQISJMSA-N	382.467	4.552	50	40	GJGB	
Cc1c(/C=N/NC(=O)COc2ccccc2)c2ccccc2n1Cc1ccccc1	57411645	JISYFNNISBJFLY-WGOQTCKBSA-N	397.478	4.527	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2O)cc1Cl	408735648	VRCPIWMIDIEOHD-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408802825	HWOXSLDLZWZMMM-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2ccccc12	21285658	BVJDGKBXRDCZGY-UHFFFAOYSA-N	375.306	4.524	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@H]([C@H](C)c2ccccc2)C(C#N)=C(N)O3)c(C)s1	987159	KQGNNJYOJBLPNH-SJKOYZFVSA-N	376.485	4.729	50	40	GJGB	
C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)o1	38201413	HQROTANMWGPPCO-ONUIUJJFSA-N	399.450	4.869	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12	408798034	UHRPIUOFDWCCEK-FOWTUZBSSA-N	387.395	4.692	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1	408960832	OMRDHQWJNSFROQ-AFUMVMLFSA-N	398.418	4.870	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccccc1Cl	409231961	LZDDAZOMVNEROG-QFEZKATASA-N	396.849	4.751	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	3666218	JJBWFUQGXZGIJX-SRZZPIQSSA-N	376.909	4.511	50	40	GJGB	
CC[C@@H](C)c1ccccc1OCCn1cc(/C=N/NC(=O)OC)c2ccccc21	4091882	QUBFWMKQVNNBOW-HIQXPHMNSA-N	393.487	4.924	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1csc2c1CCCC2	4812160	ZGACOPZVCOEBKS-SRZZPIQSSA-N	395.440	4.559	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408747105	ZOZUPFJMZGCPCD-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)o2)cc1	409021769	XVFBYZAWVLMVBA-YSMPRRRNSA-N	395.418	4.501	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409037067	SHDLHZDSLAGYMG-LPYMAVHISA-N	397.818	4.591	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc2ncccc2c1	409193660	KKPNOCVQDBRMJJ-MOSHPQCFSA-N	384.483	4.608	50	40	GJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OC	108046846	QYFOWWXFZUIXPM-ZROIWOOFSA-N	386.220	4.673	50	40	GJGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	409043659	SUQITKVYXVLRLB-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Nc3ccccc3)c2C)cc1Cl	409065396	RUWWOLCHAZVGIY-YDZHTSKRSA-N	396.878	4.912	50	40	GJGB	
CCCCCOC(=O)[C@H](Br)[C@H](Br)c1ccccc1	3159540	QMEDUOXZLQDKRD-CHWSQXEVSA-N	378.104	4.620	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc12	4503779	HGEHXUDDGLPCBU-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1	6646005	YEAAPAXSZFGSPG-MLVHTHFLSA-N	399.425	4.809	50	40	GJGB	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c1	13916322	RMFOKASERWHSBK-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
Cc1cc2c(cc1/C=N\NC(=O)c1ccccc1O)[C@@H](C)CC(C)(C)N2C(C)C	223594171	HPDMVLMHRZCQNM-MQKZQLNTSA-N	393.531	4.965	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OC	408780082	RQDGRBQDAUKPCV-UYRXBGFRSA-N	376.456	4.757	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1C	408997942	PCYJGDFQQKGURD-YDZHTSKRSA-N	379.485	4.610	50	40	GJGB	
O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H](Br)CBr	575357787	XKABCYSDWHSHDR-CYBMUJFWSA-N	386.058	4.834	50	40	GJGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccncc1	1084326239	TWZXBMIXCBTSOF-UHFFFAOYSA-N	397.441	4.616	50	40	GJGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	1779823	BDSBMLZECIZHCX-GHRIWEEISA-N	382.847	4.843	50	40	GJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc([N+](=O)[O-])cc1	5338073	ZRHYLLNUMPYTQZ-WJDWOHSUSA-N	388.339	4.754	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(F)cc1	8812040	MQQRNEGNXSRHKQ-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408542560	MFDWCZQFDHKZPM-XDHOZWIPSA-N	387.395	4.765	50	40	GJGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/c1cccc(F)c1	1704856	BSPJJWJWZPHGPS-YDZHTSKRSA-N	399.293	4.878	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl	2372625	HMYOEAGBLCRZKX-JAMLUQCHSA-N	397.305	5.000	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4953739	LPVVTBKTGWMJJW-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)c1ccc(Cl)cc1Cl	5361815	BGXMMVZYTUOKIX-YDZHTSKRSA-N	392.286	4.745	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	6966363	IWBARQYRCOZKKH-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\NC(=O)Nc1ccccc1	16739915	DXLFSBCCEBLYAK-NMWGTECJSA-N	384.892	4.693	50	40	GJGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	59117420	AKEFECRWCVEVDA-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cccs3)cc21	208251676	QLELOQVBXMJOLZ-UORWWSPDSA-N	375.925	4.887	50	40	GJGB	
CCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615184	AAOLEUVEWYWZIG-XPTSAGLGSA-N	394.103	4.819	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	6370041	UEDGEIFVXANHJX-BUVRLJJBSA-N	375.472	4.565	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(F)cc3)c2C)cc1	6935064	UIKFARBCAFWFJA-OYKKKHCWSA-N	394.450	4.788	50	40	GJGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccccn3)c2c1	408788459	DEEQVCDYVDAPIN-GHRIWEEISA-N	394.434	4.784	50	40	GJGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	1748481	LTGCZKZOEXTZEF-SDNWHVSQSA-N	379.416	4.712	50	40	GJGB	
O=C(CI)NCc1ccc2ccc3cccc4ccc1c2c34	2565895	AYGLXDHPIAFAJF-UHFFFAOYSA-N	399.231	4.635	50	40	GJGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/C=C3/N(C)c4ccccc4C3(C)C)cc2C1	5986445	TVLWVWBOZUAGEL-IQYYRZMRSA-N	393.556	4.900	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(C#N)cc4)c3C)[nH]c2c1	9263611	FXJWYFABEFCQOL-YBFXNURJSA-N	393.450	4.915	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1	59501512	NYUDHPFBGCXLMI-VULFUBBASA-N	383.495	4.896	50	40	GJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl	409232207	OXFXGMWCROUKTH-PWDRSIHYSA-N	375.255	4.786	50	40	GJGB	
COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCCCOc1ccccc1	4526009	XHRKFPHRJICEJO-CIAFOILYSA-N	397.258	4.531	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c(C)c1	6390379	YXMFXGZLQQZITG-QHCPKHFHSA-N	383.495	4.917	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2Cl)o1	252484927	GKOBQQRGOJHNOL-YFHOEESVSA-N	380.625	4.833	50	40	GJGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cc2cc(Cl)ccc2o1	409075029	WXPAYRAFJUKLND-FSJBWODESA-N	385.826	4.589	50	40	GJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1cccc(Br)c1	409117878	PGUNBEDYQJMLCR-ZXOFLVKFSA-N	391.334	4.779	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)[nH]c2c1	409392269	OPCWILHRLPSTBL-DHDCSXOGSA-N	399.406	4.902	50	40	GJGB	
N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc(Cl)cc2)cs1	2303031	ARBKNBYMYKFGQY-JLHYYAGUSA-N	380.860	4.539	50	40	GJGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(F)cc1	20247372	XWYVRGDYMGWNCG-ZMOGYAJESA-N	376.456	4.779	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2)cc1OC	33390264	APXKOKLCHOCKAT-KUARTLJMSA-N	375.856	4.682	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1	252482130	CZIVBHZYVJBNKB-XNTDXEJSSA-N	391.358	4.848	50	40	GJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OC)c1	408809149	KHSKSLXOYDUKNH-WOJGMQOQSA-N	394.471	4.593	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1C	408818601	XMBBMQHVMNWJFZ-LFVJCYFKSA-N	397.522	4.977	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C/c2cccc(Cl)c2)c2cccc(C)c2n1	871096	YTJPGXVBZSPOFH-SSDVNMTOSA-N	383.904	4.747	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1	985299	KKKHFEQAEDBSAI-YCRPNKLZSA-N	390.870	4.857	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br	4723616	NGDBDPKGPBJMIS-LFIBNONCSA-N	397.272	4.868	50	40	GJGB	
O=C(NNC(=O)C1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	5938719	RZVDRMSTXGLJFN-UHFFFAOYSA-N	388.920	4.584	50	40	GJGB	
N#C/C(=C/c1cccs1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	9404125	UGGUXCVNKCRSFO-LCYFTJDESA-N	385.901	4.994	50	40	GJGB	
COc1cccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	35002862	QCHWGOBCSFJCLR-XYGWBWBKSA-N	381.435	4.674	50	40	GJGB	
CC[C@@H]1CCCCN1CC(=O)/C(C#N)=C1\NC(c2ccc(Cl)cc2)=CS1	49673706	SPFQPOAAAGETGW-HNOLQLOCSA-N	387.936	4.544	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	58917488	TUSMFLPLSWOSDX-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1cccc(Br)c1	408817002	MOKFPJYEPMFLEW-MLPAPPSSSA-N	392.636	4.630	50	40	GJGB	
CC/C(Cc1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	408947210	AVANWHQVZGUFQY-UAHGDZPKSA-N	379.287	4.886	50	40	GJGB	
O=C1O[C@@](Br)([C@H](Br)c2ccccc2)c2ccccc21	2323131	CQSCVJFNAOEPKT-UKRRQHHQSA-N	382.051	4.541	50	40	GJGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	3304042	KEIUPJGQLVQGRL-XMHGGMMESA-N	388.496	4.715	50	40	GJGB	
CCCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	9015419	FGKYWLUAQBBPPI-LJQANCHMSA-N	378.497	4.747	50	40	GJGB	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cc2ccccc2cc1O	15227396	IWWRDBRSEMCOSU-FSJBWODESA-N	375.815	4.511	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1	20248531	GSJIMEWKYBOFNH-YBFXNURJSA-N	397.725	4.735	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(F)cc1	58823040	QZZLABQXWSASHC-MFKUBSTISA-N	392.430	4.567	50	40	GJGB	
Cc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Sc2ccccc23)cc1	3227163	KFYLZPIJWVCLAZ-SFHVURJKSA-N	387.386	4.823	50	40	GJGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2cccc(C(F)(F)F)c2)cc1	6311497	PEZQFSUALBBNIZ-ZVHZXABRSA-N	377.410	4.706	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	20764316	OTDJUVQCSUFFOZ-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3ccccc3O)cc2[C@H](C)CC1(C)C	260567558	LSRVAAOOXNSZEJ-DNPFKWNUSA-N	379.504	4.657	50	40	GJGB	
O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc2cc(Cl)ccc2o1	409018288	KJSAZUPMYTXNEL-SCDVKCJHSA-N	383.618	4.863	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	1189165	URYWUPNPGJAWAS-XSFVSMFZSA-N	385.467	4.957	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1	2405421	NJRLTQDFLXDFSR-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	2738256	IBKKSCOIOFDVJO-UKTHLTGXSA-N	383.238	4.929	50	40	GJGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2cccc(Cl)c2)cc1	3175044	PDJOHNZVFFRYGF-LGVXEURYSA-N	388.895	4.827	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1F	6342265	XAFQNCXPUQQRIM-SDNWHVSQSA-N	377.331	4.540	50	40	GJGB	
COCCC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	6490500	ICDYRTUJWKFHGS-LGMDPLHJSA-N	391.858	4.705	50	40	GJGB	
Cc1cc(Cl)ccc1OCc1cccc(C(=O)N/N=C/CC(F)(F)F)c1	6922161	ZSTCUDRQGOJXDS-LIMNOBDPSA-N	384.785	4.895	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccccc3O)cc21	208252085	AUDAMWMNGCQUNZ-JFVYAULHSA-N	385.895	4.532	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408737567	DLDZGBWXIMHXAD-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1	408866920	KBERMDXHBAYZGO-XSFVSMFZSA-N	386.426	4.971	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)cc2c1	409187294	OODQQYGOILEPMV-KSEXSDGBSA-N	376.334	4.614	50	40	GJGB	
CCc1cccc2ccc(N(CCBr)CCBr)cc12	1557996	AFWJRUCASOYDTL-UHFFFAOYSA-N	385.143	4.998	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1	33406765	BJXIILAOSGYXAW-SSZFMOIBSA-N	398.304	4.841	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1Cl	33498843	STMWTAXPFRADEE-WQLSENKSSA-N	380.753	4.913	50	40	GJGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C2/CC[C@H]3CCCC[C@H]3C2)c1Cl	36512049	YFOWJEONDAWTBW-SDKQAGFWSA-N	389.714	4.700	50	40	GJGB	
N#C/C(=C\c1cccc(I)c1)c1nc2ccccc2s1	4372817	YMKWKGLFOIOBKW-XYOKQWHBSA-N	388.233	4.965	50	40	GJGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1	5010248	KTLSJPKABPIFIN-LGMDPLHJSA-N	387.439	4.670	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3O[C@@H](C)CC)cc2c1	409188088	WXYVDAPWDDSUAU-DZIKBWIISA-N	380.444	4.773	50	40	GJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1	2384644	ZLZMFXVDJATYNH-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(C)=O)cc2)cc1	4511920	XSKKYARLUWSVAS-HKOYGPOVSA-N	398.503	4.574	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(N2CCCC2)cc1	7384436	XRBSFUGPIIYJGR-BUVRLJJBSA-N	393.874	4.964	50	40	GJGB	
COc1cccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1	96024153	RDYRCRGTZSAKCU-QINSGFPZSA-N	393.468	4.812	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	100278991	IGNRCLTXBOXMAF-AQTBWJFISA-N	386.407	4.587	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OC	408898215	VUMNSKZVIIBGEK-YDZHTSKRSA-N	382.847	4.664	50	40	GJGB	
O=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1cc2ccccc2o1	408934719	CVEJXJJBUKHFCC-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
CN(NC(=O)c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl	2561602	ADNHIBSBCDYKGS-UHFFFAOYSA-N	397.706	4.554	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	4679604	UCWOFFDJPIDHCU-QGOAFFKASA-N	399.425	4.833	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)c(Cl)c1	4815548	YLAAWJDHWIVRIG-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1	4922535	QKOQFRHHYSKPRV-IBGZPJMESA-N	375.497	4.523	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1	6961799	ZYYJAWLGHMSPIT-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1O	33341023	ODCKDQVSFVZELR-FBHDLOMBSA-N	375.211	4.723	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C	223538572	FRTUONFMAJNWCF-WZGIJCTISA-N	393.531	4.500	50	40	GJGB	
COC(=O)Cn1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c2ccccc21	408772687	QJQDAAHGBZPENR-GDNBJRDFSA-N	384.357	4.897	50	40	GJGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408797173	BNQGRDUBFXGJOC-MVAYWZPZSA-N	399.494	4.739	50	40	GJGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(N)=O	3262774	IVRYCMIRGOUALI-XGICHPGQSA-N	381.646	4.618	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1cccc(OC2CCCC2)c1	4631749	PCXKAMLHADHGRC-FQEVSTJZSA-N	398.466	4.616	50	40	GJGB	
O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccc(-c2ccccc2)cc1	5685164	PTVRPLOIFLHALQ-SOYKGTTHSA-N	377.447	4.931	50	40	GJGB	
N#C/C(=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1	5734218	QJVUKZARGGNAFA-MDZDMXLPSA-N	379.426	4.738	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1	6959314	YDERCCAWHPFFAQ-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	34856388	AWZRMQKEGDSGCG-DHDCSXOGSA-N	377.831	4.610	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	409017926	GLMUTNWDPJCPDE-QRVIBDJDSA-N	377.831	4.949	50	40	GJGB	
C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)C2CC2)c1	4646834	ZWMMQESIDKCYJW-PKAZHMFMSA-N	397.478	4.856	50	40	GJGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(F)cc2)cs1	6495468	UOVNQGIMEAOBEA-FMIVXFBMSA-N	384.367	4.973	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)c1	6967173	FJJDNSYQSNLKGT-ONUIUJJFSA-N	397.478	4.793	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1nc2ccccc2[nH]1	15013556	HOGAJVCBJHZSMM-YVMONPNESA-N	393.038	4.745	50	40	GJGB	
CCOc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Cl	18270974	DIPMPQQOEODXAT-VGOFMYFVSA-N	376.847	4.747	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2Cl)o1)C(=O)Nc1ccccc1	33337345	VVEXSNNZYLGXSC-UVTDQMKNSA-N	392.798	4.844	50	40	GJGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc2ccccc2c1	101158728	ZSPQZHIJFDOTAQ-WPWMEQJKSA-N	399.494	4.853	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OC	409069798	AHWPTZIFBZCAIM-DEDYPNTBSA-N	390.483	4.985	50	40	GJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	409231290	JRDGPKOBDJWPLF-ZMOGYAJESA-N	383.854	4.579	50	40	GJGB	
O=C(Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2O)C(Cl)Cl	1710709	DDEDGENHRMDZCS-ZDUSSCGKSA-N	377.054	4.798	50	40	GJGB	
N#CC1=C(N)S[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1	4786262	QUCGQQOMMYOSLR-YHRPGYQTSA-N	382.504	4.504	50	40	GJGB	
C/C(=N/NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2	5612492	CVHZBPQMORLXFO-MTJSOVHGSA-N	375.310	4.771	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC	409074117	XZEUAESGWPVLCB-XSFVSMFZSA-N	388.467	4.843	50	40	GJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	3101205	XFCNHCWSTDBNPC-SSDVNMTOSA-N	379.287	4.820	50	40	GJGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1	4504961	IQVZMPFUJYLCOU-QIRCYXCZSA-N	379.460	4.536	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	408810507	KVVBJLHYRPTDRR-SAGAUJLNSA-N	380.447	4.636	50	40	GJGB	
O=C(N/N=C/c1ccccc1Cl)c1cccc(N2Cc3ccccc3C2)c1	408822751	VLNQMCHATIQNJM-ZMOGYAJESA-N	375.859	4.624	50	40	GJGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NC1CCCC1	872830	ZDZTWHUAIAZNGJ-KNTRCKAVSA-N	399.494	4.686	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	20249035	KUAFCBTZOWGAAU-PXLXIMEGSA-N	389.952	4.819	50	40	GJGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)o1	96188180	FFZAMCFHHYWIEU-RMKNXTFCSA-N	378.331	4.759	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	408719897	OUYONXJQNRVANV-SSDVNMTOSA-N	390.936	4.758	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1	4922519	NPRPBJBGZVYYMT-GOSISDBHSA-N	375.497	4.523	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1	59473615	JHINAXDTKLLKHO-ZOCVZFIWSA-N	386.826	4.990	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCC	409073996	OYZDEBLLYZBZDP-XMHGGMMESA-N	376.456	4.758	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2c1	4017920	WEDLURNALYECMG-KPKJPENVSA-N	383.205	4.606	50	40	GJGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(Cl)c(Cl)c1	5670537	YPPRZWPYGYZCED-OMCISZLKSA-N	378.078	4.581	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2ccccc2Cl)o1	408961201	LGHQPDLFEUUYLF-JJFYIABZSA-N	397.818	4.762	50	40	GJGB	
N#CSCC(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	226328119	AFOJJIVIXOMGOD-UHFFFAOYSA-N	378.240	4.954	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408570453	VHLLDUAGYJZGKT-WJDWOHSUSA-N	376.435	4.765	50	40	GJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408810672	PTZBPXDTTRNOGJ-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Cl)cc3)o2)cc1C(=O)O	408851550	LCVIQJOCRPRVBE-JJFYIABZSA-N	397.818	4.762	50	40	GJGB	
COc1cccc(/C=C2\CCC3=C2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)c1	705947	BMULKBUGYHQHDK-JRVGGCGHSA-N	386.451	4.643	50	40	GJGB	
CN(/N=C(\CBr)C(C)(C)C)C(=S)Nc1ccccc1Cl	4280600	QGYBVGPIIUISGS-LDADJPATSA-N	376.751	4.766	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1	408569448	NRNNDVQWEGIDEQ-RAXLEYEMSA-N	387.370	4.813	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2	408806340	ITKLGWFPFVYGBC-LFYBBSHMSA-N	375.211	4.576	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1	1190175	CWBDDTLPGBFHEM-ACCUITESSA-N	377.331	4.540	50	40	GJGB	
C[C@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@H](C)CN(C)C	1593259	FQENEZQJHZAKPK-SJORKVTESA-N	388.349	4.523	50	40	GJGB	
CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O	28616211	WHANOCHVGFRUHX-GZTJUZNOSA-N	380.831	4.602	50	40	GJGB	
CCCCOc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1	49992029	NKUNDUHQISWGGH-UHFFFAOYSA-N	394.515	4.601	50	40	GJGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1	100029066	CSCWDBQUKJIRFV-UWODKOOBSA-N	382.504	4.874	50	40	GJGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1	1295695	CBUFXKLPRIUNIY-RVDMUPIBSA-N	391.452	4.914	50	40	GJGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cccc2ccccc12	2753965	UAECBELJKKRFND-FSJBWODESA-N	392.256	4.848	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC(C)C	5814397	BTPZMUKOISVWNW-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
CN(C)c1oc(/C=C(/C#N)c2cccc(Br)c2)cc1Br	59104594	JDJBYNILERJIOW-XFFZJAGNSA-N	396.082	4.935	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	60510293	DSYRMXVFTVFONB-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
CC(C)n1c(CNC(=O)CCCC[C@@H]2CCSS2)nc2ccccc21	96115481	FBIZLDMQKUWVQM-OAHLLOKOSA-N	377.579	4.948	50	40	GJGB	biogenic
C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527760	IDSZRNIXPFFLFW-GSVOUGTGSA-N	388.011	4.668	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NC1CCCC1	409191870	PGSWDEUXNBCKHA-KAMYIIQDSA-N	385.261	4.675	50	40	GJGB	
Cc1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1801156	ICHPWJGIPGNRPL-GJZGRUSLSA-N	397.110	4.833	50	40	GJGB	
C=CCn1c(C)c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccc21	16249788	YNEIGULYCRLKJH-XKZIYDEJSA-N	396.288	4.662	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccncc1	98087020	WBOCPCIDLOZNQZ-LDADJPATSA-N	382.423	4.610	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OC	409073952	OJFGXRJEHALVEC-XDHOZWIPSA-N	376.456	4.595	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1O	3303932	LSXNRUPPHFUTNI-GHRIWEEISA-N	386.407	4.739	50	40	GJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1	6229648	RFTAWGJLGRILSJ-MFKUBSTISA-N	399.450	4.616	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCCCC2)ccc1OCc1ccccc1	12655217	JZOCMSSEORYVIG-RCCKNPSSSA-N	390.483	4.584	50	40	GJGB	
CCc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1	5826995	SCIYHTGDUBYFGR-XDUBLRSXSA-N	375.497	4.736	50	40	GJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)o1	15357227	TUNYXDACOACSQO-ZROIWOOFSA-N	383.860	4.834	50	40	GJGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1	108137801	MLKLLDHABVMYKV-VULFUBBASA-N	391.437	4.955	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)CCc3ccccc3)cc21	208457081	COTXCADCPPJULQ-XYGWBWBKSA-N	375.516	4.710	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O	409089038	GZVSDKSBHIVNTN-QQXSKIMKSA-N	388.511	4.553	50	40	GJGB	
O=P(C(=S)NCCc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1	2243783	GDHKGUXVCVEURJ-UHFFFAOYSA-N	399.883	4.771	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(F)c1	4524091	ATISPOXJQSDRCN-FOKLQQMPSA-N	399.834	4.859	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12	5878935	ZDDUZCQHUGOPEB-KGENOOAVSA-N	379.463	4.838	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1	6720785	KUUUSIMYURTTCR-IBGZPJMESA-N	384.483	4.901	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1	16890143	MWWHWPCSASRDDK-SAPNQHFASA-N	379.416	4.709	50	40	GJGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1c[nH]c2ccccc12	57839972	KIADRIUQYBMPLJ-QQXSKIMKSA-N	380.451	4.816	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cccc(O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408968814	ZKYZBPXCXONKQF-MYYYXRDXSA-N	389.499	4.861	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1	2286702	SNDRNMFYACFPKJ-VFNWGFHPSA-N	390.870	4.857	50	40	GJGB	
CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	2771606	BYYRQXOIBBKOTH-WZGTUUFSSA-N	395.547	4.966	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1	3945063	KGMNESFJHJBGOU-CPNJWEJPSA-N	379.419	4.979	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2C1	4922488	VSSHBVIFCCOBRG-IBGZPJMESA-N	389.524	4.777	50	40	GJGB	
CO[P@](=O)(/C=C/c1ccccc1)[C@@](O)(CBr)c1ccccc1	4953217	CCOABLICFLTEMZ-MOQPAVLASA-N	381.206	4.822	50	40	GJGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OC)c3)n2)cc1	6207753	SJDOGYBOIJSWGM-MHWRWJLKSA-N	378.453	4.987	50	40	GJGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl	33323071	SOWIGVMKLFSQHL-SCDVKCJHSA-N	393.251	4.701	50	40	GJGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1	408787980	HXYAKCPPGFKJHK-XSFVSMFZSA-N	384.435	4.825	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1	711305	VPFYVAQQBCLICO-OAQYLSRUSA-N	386.451	4.930	50	40	GJGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(SC)N1	1438125	FLWFOUKFIDYVMI-INIZCTEOSA-N	376.909	4.742	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)C(=O)NC1CC1	17080481	ZRNFDKODBOBCIF-OQLLNIDSSA-N	393.849	4.668	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1ccccc1	408743352	SHYSMUTVYKMNOK-UNOMPAQXSA-N	398.418	4.540	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1	1096851	RCWQHRIZCNYZRI-KGENOOAVSA-N	386.426	4.628	50	40	GJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)cc1	1320056	DZCHQPOTYVMQFV-SCELWYEFSA-N	390.483	4.891	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)o1	1454125	TUNYXDACOACSQO-NTEUORMPSA-N	383.860	4.834	50	40	GJGB	
O=C(CCCCl)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1	2203533	FITXLJCONWMQCQ-UHFFFAOYSA-N	399.855	4.994	50	40	GJGB	biogenic
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	408589898	NJTGFSZTMIJCQJ-AFUMVMLFSA-N	377.463	4.543	50	40	GJGB	
COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl	408890877	HUHIHEQCFWGYCL-WSDLNYQXSA-N	388.254	4.557	50	40	GJGB	
O=C(Cl)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1	2564265	YNWODFPHUOSESK-UHFFFAOYSA-N	393.674	4.569	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCc1ccco1	26688220	ZBIMXOKQVCWVTC-GXDHUFHOSA-N	386.329	4.782	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1C(C)C	33864036	QRTFHNONFFCJIL-KEBDBYFISA-N	384.461	4.573	50	40	GJGB	
N#C/C(=C/c1ccc(I)o1)c1cccc(C(F)(F)F)c1	408756470	SBUGZWDNUCYWTI-YFHOEESVSA-N	389.114	4.967	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Cl)c1	409050924	DKXBXQRZJHBLIV-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1	2241662	ACRASWWRBOJERY-QGZVFWFLSA-N	399.878	4.699	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	3167364	BKVJOJQQXMBRPX-WLXKGNRNSA-N	390.483	4.936	50	40	GJGB	
CC(C)c1ccc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1	20518439	YNMVLODCFQMDAI-LJQANCHMSA-N	393.512	4.618	50	40	GJGB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)NCCCl	118926625	LJHUDDBHGJTFLM-BLQWBTBKSA-N	393.955	4.852	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Br)c2)c1	408742363	ADHNGCAJSJHTCL-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	408925544	RZRBWDORJSHWEV-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
O=C(CSc1cccc2cccnc12)N/N=C/c1ccc(Cl)cc1Cl	711125	KBKUKOJSWHPAMT-LSHDLFTRSA-N	390.295	4.784	50	40	GJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccccc1	1953431	GDRJVUSIDRDHKI-PVLCKLODSA-N	377.271	4.968	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F	6561705	GJMVIYGGDPXQEJ-YRNVUSSQSA-N	395.724	4.813	50	40	GJGB	
CSc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408845828	HQBPJDJUHPPZLG-GRSHGNNSSA-N	389.274	4.681	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1	3234472	FDWFIOBXXVVWIB-MFKUBSTISA-N	390.483	4.675	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(OC2CCCC2)cc1	4631730	BNQRBWKVFOOHAZ-FQEVSTJZSA-N	398.466	4.616	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	21319612	DEKTXBNKTDSOIT-MPMPPSQCSA-N	394.496	4.595	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)o1	408995007	KNDYRJQWQZGZBV-KGENOOAVSA-N	391.924	4.556	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	4739460	XEFXDIFNNYCDKQ-WYMPLXKRSA-N	381.863	4.779	50	40	GJGB	
Cc1ccc(S(=O)(=O)N2C[C@](C)(CCl)Sc3cc(C)ccc32)cc1	5617757	VPBKITXZSHEKPP-SFHVURJKSA-N	381.950	4.602	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	9015535	ZRQBMOWTKPKBEQ-ZVBGSRNCSA-N	393.661	4.801	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)[nH]n1	18123218	YOYXSJUKGGVISP-VKDWVBNMSA-N	398.426	4.756	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	59297153	IHFDWFKGBFAKLM-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12	409001249	OOTNJGJQAVQUNY-OYKKKHCWSA-N	383.407	4.974	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	3319743	IRPWCHDYDCQWDB-ZHZULCJRSA-N	398.418	4.509	50	40	GJGB	
Cc1sc2nc(C3CCCCC3)nc(NCCNC(=O)CCCl)c2c1C	4848602	BTGCAZKNLYCUSL-UHFFFAOYSA-N	394.972	4.513	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc2ccccc2c1	6626235	MAZQHSFOJHLNPM-MFKUBSTISA-N	375.447	4.651	50	40	GJGB	
Cc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1	9553415	MJCIMTJCUBLHIM-LDADJPATSA-N	388.496	4.730	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3ccccc3O)cc21	208252043	AUDAMWMNGCQUNZ-OTTIKCOKSA-N	385.895	4.532	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OCC	408691808	RAZLWCJYVQLFBS-YVLHZVERSA-N	391.858	4.708	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)NCCCc1ccccc1	409234208	JAFNYCAAJWHBNM-MOHJPFBDSA-N	396.490	4.922	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1cccs1	4412414	SFNHVKKNUASPIP-CQSZACIVSA-N	387.917	4.621	50	40	GJGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Br)cc1	5739029	SVYAHAKTSYRKDF-KOUDTOEKSA-N	396.288	4.553	50	40	GJGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O	16741526	KPKKWQBSQHITTI-ATVHPVEESA-N	394.858	4.992	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(Cl)cc1Cl	58917790	MFVBPPFKRJLKJF-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)cc1	59248690	HDCBITZLEQFPNV-SQFISAMPSA-N	377.831	4.685	50	40	GJGB	
CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C#N)c2C)sc2c1CCCC2	408743359	SIAWALQWWPYCHJ-UHFFFAOYSA-N	379.485	4.642	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1	408781482	SWGQCJVGOJWNKT-WQRHYEAKSA-N	398.890	4.749	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(F)cc4)o3)cc2c1	409188066	WRCJSSBNGLECRT-CFRMEGHHSA-N	392.386	4.995	50	40	GJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1	4502577	IXBYRYSOCDNOJJ-CJLVFECKSA-N	399.516	4.688	50	40	GJGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1Cl	6441638	XUCXQJMQNWAXCC-HNNXBMFYSA-N	384.888	4.621	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OC)c([N+](=O)[O-])c3)n2)c1	6451233	YSORRVJDUOYNJU-NVNXTCNLSA-N	393.424	4.800	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(C(F)(F)F)c1	59473616	JHINAXDTKLLKHO-WMJRALALSA-N	386.826	4.990	50	40	GJGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1O	108928388	FUWKNSPSWOSSFI-IZZDOVSWSA-N	385.426	4.575	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408800004	MPLOHLOCNIJRHH-LFIBNONCSA-N	397.272	4.868	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Cl)cc1	409369845	ZXQOXIUEJSVIDW-BUVRLJJBSA-N	380.875	4.975	50	40	GJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CCCC2	2657758	YHZWPJVKLMEJMP-WSDLNYQXSA-N	398.919	4.538	50	40	GJGB	
O=C(CNc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl	2750967	ULWNNFJOISPMCS-QPSGOUHRSA-N	391.085	4.862	50	40	GJGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	3034275	ITOFBDOFBPCZOL-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1Cl	4827528	ZOWPGBCRZBPDMK-KEBDBYFISA-N	395.684	4.574	50	40	GJGB	
Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)O[C@@H](C)C3)C(C)(C)C)c1	21983844	TUCSJFNYZJYLHE-INIZCTEOSA-N	394.515	4.521	50	40	GJGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)Sc1nc2ccccc2s1	33735359	QMAPNLXJRUIIKR-RVDMUPIBSA-N	393.449	4.873	50	40	GJGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccccc1C(=O)O	100372301	AIYBTDBOUNYLLB-XKZIYDEJSA-N	379.287	4.728	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)cc2c1	409187456	QNMPGCWGLIRZHL-FBHDLOMBSA-N	377.227	4.902	50	40	GJGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	685584	OHGSEXFFVJURBJ-MFKUBSTISA-N	382.467	4.715	50	40	GJGB	
Cc1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1801152	ICHPWJGIPGNRPL-CABCVRRESA-N	397.110	4.833	50	40	GJGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(CSc2nc3ccccc3s2)cc1	3304501	WPATVVVRNAOFDA-WSDLNYQXSA-N	392.509	4.681	50	40	GJGB	
CO[P@@](=O)(/C=C/c1ccccc1)[C@@](O)(CBr)c1ccccc1	4953211	CCOABLICFLTEMZ-DVZBKKJASA-N	381.206	4.822	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCCCC1	17156649	YTGFFOHIVRURNQ-QINSGFPZSA-N	385.261	4.629	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H]1c1nc2ccccc2[nH]1	42061180	OZVHMZKZTNZZDF-WMLDXEAASA-N	375.563	4.941	50	40	GJGB	biogenic
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccccc2)cc1	59334465	LGEVJQGGTLJMKQ-JCMHNJIXSA-N	399.494	4.668	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	59473466	XALHMCWVIRNNSF-STCDJXRXSA-N	376.909	4.758	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccnc1	408785370	WSQMJXRFPWJZIX-YVLHZVERSA-N	376.847	4.688	50	40	GJGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2F)cc1	3210222	LDJVLJRBHXDUMN-PCLIKHOPSA-N	375.447	4.616	50	40	GJGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4333009	BFVLOZJNEHRLSQ-MHWRWJLKSA-N	389.436	4.718	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C)c1	20194560	KNPCAJIFDQBFLI-JVWAILMASA-N	395.506	4.999	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)NC1CCN(Cc2ccc(F)cc2)CC1	96114674	VSZKPPXEWXZQJO-IBGZPJMESA-N	396.597	4.620	50	40	GJGB	biogenic
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408794915	UBWQNIDCBXQUFO-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C(/C)c2ccc3ccccc3c2)[nH]n1	4994765	CBBGSWWJAJECNM-XYGWBWBKSA-N	398.466	4.783	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC(C)C	5644158	KGQLSDWLCLMCPQ-RIYZIHGNSA-N	388.826	4.821	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c(C)c1	6044247	DHLIIEZYVXMZCQ-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3nccn3C)cc2)cc1	40139688	VVTCTYORVHJUDH-RCCKNPSSSA-N	385.467	4.741	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cc(Cl)ccc1Cl	58917795	QFBFTIOLRYOQRM-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1	101521540	ANFPAADFEULFLS-JAMLUQCHSA-N	384.439	4.505	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(F)cc1	408802314	YYLWDIXRWBKBEJ-QUYZQLMHSA-N	396.462	4.625	50	40	GJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1	2435620	HTCFPTPCQFZUCZ-QGZVFWFLSA-N	381.888	4.559	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1	32099683	KKOHDGCFQUXPLR-NTEUORMPSA-N	396.292	4.631	50	40	GJGB	
CCOc1cccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1	40139679	FSZWMAKVTLEQSA-UVTDQMKNSA-N	377.469	4.739	50	40	GJGB	
Clc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nn1	98005233	JXNRNNVMMAMISD-UHFFFAOYSA-N	389.826	4.939	50	40	GJGB	
Cc1ccc(/C(=N/NC(=O)Cn2ccc3ccccc32)c2ccccc2)c(C)c1	199417970	LSFRMPUQTCGXPZ-IMVLJIQESA-N	381.479	4.827	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1OC	2643919	VWPDLJDESLSZQZ-LZYBPNLTSA-N	384.863	4.828	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cccc2ccccc12	4600308	SCDWTVODJQVZPS-MFKUBSTISA-N	393.874	4.936	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)c1	4922965	DDOBQVDYUFOICD-KRWDZBQOSA-N	395.915	4.868	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	6410537	LXTNBOVIWDSNHR-TYSUYXETSA-N	378.472	4.658	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	16411100	GHRZJJXGKYTQQB-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	408810058	JUHMPTAJYMWZDU-QRVIBDJDSA-N	398.846	4.814	50	40	GJGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1	4631536	FZPGNLQMUICBHV-ASUYLVSUSA-N	392.453	4.831	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	59383025	VSUDPZUCZQOLAR-SSDVNMTOSA-N	390.936	4.758	50	40	GJGB	
COc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(Cl)cc1	136362042	MMLPSEZXELOWKZ-UUYOSTAYSA-N	384.888	4.744	50	40	GJGB	
O=C(N/N=C\c1ccccc1F)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408728284	JHXZUVKZXWPFRW-ROTLSHHCSA-N	393.849	4.763	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1C	409035141	PKZHPMFDKLLDKT-WGOQTCKBSA-N	395.462	4.983	50	40	GJGB	
CCOC(=O)N/N=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12	2268955	SICXYTVXVYQWEJ-OEAKJJBVSA-N	399.878	4.844	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2n1	4091505	IXZCELQURWFUQB-YDZHTSKRSA-N	377.513	4.909	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	4503837	PCXZFQUTIXHGDM-HMMYKYKNSA-N	382.419	4.760	50	40	GJGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1	22234261	PPOFOZKUYZAJGN-UHFFFAOYSA-N	386.377	4.536	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408795747	NAYXWPJEVHRJBZ-XNTDXEJSSA-N	385.250	4.860	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	409259726	DIGBALFTAQICEB-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	3170625	RUEDPUDEQSJLDQ-WGOQTCKBSA-N	395.462	4.644	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1	4566668	BARZEUZZDZIXSI-CPNJWEJPSA-N	395.418	4.904	50	40	GJGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1	4922894	RLGUZIHSBPHCPL-HXUWFJFHSA-N	389.524	4.777	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(F)cc3)cc21	208463452	RYACZSXYZLSMOW-WYMPLXKRSA-N	385.870	4.875	50	40	GJGB	
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]4(N=C=S)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	4896399	BJBNBXRABJZBCO-FXSSSKFRSA-N	389.561	4.755	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)cc1	4923489	UDQQNYWPOMSQRZ-LJQANCHMSA-N	393.487	4.608	50	40	GJGB	
CO[P@](=O)(/C=C/c1ccccc1)[C@](O)(CBr)c1ccccc1	4953220	CCOABLICFLTEMZ-CYVGJYRISA-N	381.206	4.822	50	40	GJGB	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	6209323	USTDMYWQNOJAEA-MDWZMJQESA-N	398.260	4.797	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	9973333	KAIJPSCEUXEJAZ-YQYFLZKSSA-N	398.890	4.749	50	40	GJGB	
N#C/C(=C\c1ccc(OCCC(=O)O)cc1)c1nc(-c2ccccc2)cs1	32931551	LEVBPRQHNRVERA-SFQUDFHCSA-N	376.437	4.728	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1	48299982	JTZFTFAGJMUQQG-ATVHPVEESA-N	390.874	4.997	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1	409362807	KGBACYFKNCZXAQ-AFUMVMLFSA-N	395.890	4.844	50	40	GJGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408720258	WVSBHVZFBWPZKZ-BUVRLJJBSA-N	390.508	4.649	50	40	GJGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(Cl)cc4)cc3C2)cc1	408734408	XTXYGZCFWQCBHU-MXAYSNPKSA-N	389.886	4.933	50	40	GJGB	
CCOc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C(C)C	818633	LDHUWBKPXDWZDE-OAQYLSRUSA-N	394.515	4.968	50	40	GJGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(Br)cc1F	867540	YDYCBHZAEUDARW-YRNVUSSQSA-N	379.616	4.787	50	40	GJGB	
Cc1noc2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1cccc(F)c1	1073838	ZXPRROPUGAJSKV-SFHVURJKSA-N	380.810	4.753	50	40	GJGB	
CCCn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	9204830	PTGSOLNMPKNCBV-LPYMAVHISA-N	398.304	4.507	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)N1CCC(c2nc3ccccc3[nH]2)CC1	31176279	QZDUAAIEIBRLDQ-INIZCTEOSA-N	389.590	4.983	50	40	GJGB	
N#C/C(=C\c1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)NC1CCCC1	60421867	CBWATFDXRFISML-UKTHLTGXSA-N	391.418	4.795	50	40	GJGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1ccc(Br)cc1	408746329	YMEGQEYEKMMPNN-NTMALXAHSA-N	379.616	4.787	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1cccc(F)c1	408866377	FHWGRYHMBMSEKV-DEDYPNTBSA-N	386.426	4.971	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CC[C@H](C)C2	942682	ZZSMYUYNWWDDIC-AOHITCTBSA-N	394.496	4.595	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	985583	HGMOALMAORNWCP-FQEVSTJZSA-N	378.435	4.757	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O	1453593	WLSVLYSVQYRXHB-IZZDOVSWSA-N	396.752	4.619	50	40	GJGB	
N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	4113123	PHHVMKYXVCDFPL-LCYFTJDESA-N	383.238	4.929	50	40	GJGB	
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@@H]3C=C[C@@H](c4c(I)cccc43)[C@@H]12	104286202	CLNJDPHWYNPRTG-KPPGNLPDSA-N	377.052	4.503	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408583230	SSPQKTABCGYIPW-OQLLNIDSSA-N	388.261	4.929	50	40	GJGB	
Cc1sc(NC(=O)CCl)c(C(=O)c2ccc(Br)cc2)c1C	1224376	JLYWUVZQSHUVAB-UHFFFAOYSA-N	386.698	4.536	50	40	GJGB	
O=C(O)c1cccc2c1-c1ccccc1[C@@H](Br)[C@@H]2Br	1702442	OCDOZJQXUMMRBQ-ZIAGYGMSSA-N	382.051	4.937	50	40	GJGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O	3098661	ZDALEKUEPZQVDY-YDZHTSKRSA-N	397.475	4.659	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(C)cc1	13586192	JSXMWCPGAKQHHJ-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccnc1	408722566	KTCJVAZMEQNQRV-DHRITJCHSA-N	388.858	4.502	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Cl)c2)cc1Cl	408789891	SJNPKZRBHIFZNN-RIYZIHGNSA-N	386.238	4.750	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cl)cc1OC	408798151	UVEABWIVGKRYFE-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1	409366038	XNBVFUGFFSBDGS-ONUIUJJFSA-N	386.495	4.829	50	40	GJGB	
O=C(c1ccc(C(F)(F)F)c(Cl)c1)[C@@H](Br)CBr	575360477	HYHRLECVYWPIAK-ZETCQYMHSA-N	394.412	4.700	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	985582	HGMOALMAORNWCP-HXUWFJFHSA-N	378.435	4.757	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1	1057285	LMGNTHZZRPBJHZ-HXUWFJFHSA-N	389.524	4.997	50	40	GJGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2C)/C(=C/c2ccccc2C)C1	20458786	YDHPNPKFHUBKQU-RPISRQAYSA-N	397.522	4.784	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(C)cc2C)N=C1C	101128924	NBMNJCTZLQTRRM-GZTJUZNOSA-N	392.484	4.604	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br	408582123	LZECBCNRANMKLK-OQLLNIDSSA-N	388.261	4.929	50	40	GJGB	
N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1cccs1	409125927	KUDHTBUPFVRRJG-GFCCVEGCSA-N	390.917	4.552	50	40	GJGB	
Cc1nc2c(o1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc(OC(C)C)cc1	1070214	FHDCRCVLNPLPIV-FQEVSTJZSA-N	386.455	4.748	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)cc1C	4923476	BZWLFBJYZMXWTD-IBGZPJMESA-N	393.487	4.662	50	40	GJGB	
C/C(CCC(C)C)=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	4986949	UHHVHBZDHPGTLH-BUVRLJJBSA-N	384.549	4.928	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)O	13345079	VFOQYTMMVFYELC-CPNJWEJPSA-N	398.418	4.509	50	40	GJGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C\c1ccc(Cl)cc1	36624811	KTBYQWRJLIXKML-IWIPYMOSSA-N	375.859	4.988	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1	208208209	SIFYKZSWGYBHBP-JIHKLPAASA-N	389.499	4.963	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OC	408804423	FUTCTURTKFJPBN-QGOAFFKASA-N	394.471	4.737	50	40	GJGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	409115126	KGZNQXPUGHSSPC-STZFKDTASA-N	377.425	4.510	50	40	GJGB	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	673398	VSKQBNLMLOXVED-AFUMVMLFSA-N	386.842	4.714	50	40	GJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3sccc3C)cc2)n1	3234604	CEIJSOYIICHSRF-SRZZPIQSSA-N	396.541	4.520	50	40	GJGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	4118887	MPGYUJWTNMAQKW-KOEQRZSOSA-N	381.564	4.980	50	40	GJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccccc1Cl	20348344	LROPJJAXRBVKTR-KRWDZBQOSA-N	395.915	4.555	50	40	GJGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1cccs1	26771314	IHVWUVWETWIITP-UKTHLTGXSA-N	396.453	4.802	50	40	GJGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1C1CCCCC1	408740486	KZQFDDFZAMOTRV-YDZHTSKRSA-N	387.911	4.793	50	40	GJGB	
C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc2[nH]ccc2c1	641724	PRLKEUQBHNUAFL-WPWMEQJKSA-N	398.510	4.932	50	40	GJGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(Cc2ccccc2)s1	954177	QUDCBFILXXDHJJ-LFIBNONCSA-N	379.872	4.933	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1	4705350	WHUHAYWSTXBEES-SFQUDFHCSA-N	386.407	4.807	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	39884457	PKPSVRDTVPZFDP-DTQAZKPQSA-N	387.395	4.963	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Br)c(C)c2)cc1	216069677	MXIWSZDEOVUQPO-KGENOOAVSA-N	389.293	4.700	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c1	409001619	WUDTVOIRINRUKZ-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC1CCCC1	4616610	ZTHDQASBKCIJIJ-QGOAFFKASA-N	380.875	4.885	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	13785751	SQVQDYLPUROFRT-HKWRFOASSA-N	384.483	4.706	50	40	GJGB	
COc1cc2nc(NC(=O)CCCC[C@H]3CCSS3)sc2cc1OC	22701111	AKCFNYKSRZPCMK-NSHDSACASA-N	398.575	4.966	50	40	GJGB	
Cc1noc2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1cccc(F)c1	1073837	ZXPRROPUGAJSKV-GOSISDBHSA-N	380.810	4.753	50	40	GJGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F	3067592	MTDYHFUUGIYTOK-OAQYLSRUSA-N	396.421	4.928	50	40	GJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1C	3170622	FLSVKCOMAHVMBY-CVKSISIWSA-N	395.462	4.699	50	40	GJGB	
CCc1ccc(/C(C)=N/NC(=O)c2[nH]c3ccc(Br)cc3c2C)cc1	4013084	OSEFTQYSYMQAKJ-YDZHTSKRSA-N	398.304	4.955	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1	4922527	KLYXHYOFAPEBGQ-LJQANCHMSA-N	375.497	4.523	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cc([N+](=O)[O-])ccc3F)n2)cc1	13658836	UPMACSHVTDYSFC-RAXLEYEMSA-N	396.403	4.843	50	40	GJGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccc(Cn3cc(Cl)cn3)cc1)C2	17078632	YGYFFKUTSVRNMU-WOJMFOFXSA-N	384.911	4.517	50	40	GJGB	
CCOC(=O)C(CCCCCCCCCCBr)C(=O)OCC	35585971	NSSUSLTVZPSNNB-UHFFFAOYSA-N	379.335	4.635	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OC)c1	408788704	MCUBDHCAGXZHOT-FOWTUZBSSA-N	383.879	4.740	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(C)c1	725148	SJUXJWLJUWBDKX-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)SCCS1	1103933	BCTBGPZMTAGFSW-YBFXNURJSA-N	380.922	4.636	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3127101	RQMVVMQRBOLDDY-CIAFOILYSA-N	383.245	4.781	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(Cl)ccc2OC(F)F)cc1	3240451	IUDIFQPAQAFETJ-MDWZMJQESA-N	393.773	4.600	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(F)cc1	8812208	KKNAUVGHIDRLQT-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2)c1C	408960270	KMMDROWSGMOXHM-MFKUBSTISA-N	389.499	4.737	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl	1251796	RQVDPMZZDAPNRV-INIZCTEOSA-N	398.249	4.826	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	1915619	QCPMQDKXTOMVAO-CPNJWEJPSA-N	375.877	4.857	50	40	GJGB	
CCOC(=O)N/N=C/c1cn(CCOc2ccc(Cl)cc2C)c2ccccc12	2425736	XQBSRMRQFFNPFP-YDZHTSKRSA-N	399.878	4.762	50	40	GJGB	
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccccc1	4675944	INKOXKXVXILKGG-FYWRMAATSA-N	392.256	4.785	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	5022768	JZZHULSAGFRYHP-RIYZIHGNSA-N	381.388	4.930	50	40	GJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1	58871627	LASUGIXJMRFETF-OEAKJJBVSA-N	391.496	4.888	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)cc1	59473009	JZYWPYNSKKBMFG-VSMYLPJWSA-N	397.725	4.733	50	40	GJGB	
O=c1ccc2cc(/N=C\c3ccc(N(CCCl)CCCl)cc3)ccc2o1	100372332	KVCCZWCGZPFFCN-UCQKPKSFSA-N	389.282	4.828	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408872662	NSXPGVDKIWOSRP-VIZOYTHASA-N	385.261	4.620	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc2c(c1)OCO2	409361370	HALNVVWEHKDSIL-NVNXTCNLSA-N	384.229	4.807	50	40	GJGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1	3193899	IEIKQUTXSJPTKO-LFVJCYFKSA-N	389.524	4.838	50	40	GJGB	
O=C/C(=C/Nc1ccccc1Br)c1nc2cc(Cl)ccc2o1	5740957	BOMHRAAQABSEKM-NTMALXAHSA-N	377.625	4.896	50	40	GJGB	
CCN1C(c2ccc(C)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2	14543856	MJKDBJLVKSWQDA-HEHNFIMWSA-N	377.517	4.572	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1	58960943	ISVLSEBWKRGAEK-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12	59445290	CCIQXKZRQRMPIV-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	408799572	ZWWBUZFDOHRMAA-LFIBNONCSA-N	382.847	4.849	50	40	GJGB	
N#C/C(=C1/C(=O)N(Cc2ccccc2F)c2ccccc21)c1nc2ccccc2[nH]1	4494881	INLBXJJMVRRLTO-XLNRJJMWSA-N	394.409	4.683	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1	6410535	YDQGWGYTHHOFQB-VUODPORTSA-N	387.395	4.639	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1	408725471	PODAEDCZWUVPPR-YZSQISJMSA-N	394.478	4.920	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C#N)cc3)o2)c1	409022649	FFTYLAPCFIEQQA-PDGQHHTCSA-N	383.407	4.763	50	40	GJGB	
COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1	3885214	JFJHUEIAEMBBMB-OAQYLSRUSA-N	378.859	4.765	50	40	GJGB	
CC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1cc(C)ccc1C(C)C	4499471	XIKPJCYXANBBTR-YDZHTSKRSA-N	388.895	4.700	50	40	GJGB	
N#CSc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1	98064833	ZVOIZEOZAMBTMH-BQYQJAHWSA-N	385.297	4.979	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1	408600333	BOHNRVUWZGDPOL-CFRMEGHHSA-N	382.822	4.822	50	40	GJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)Nc1cc(Cl)nc(Cl)c1	2581878	GQCLZVQZENNPRH-NGYBGAFCSA-N	378.046	4.851	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2cccc(N/N=C/c3ccc(C)s3)c2)s1	5788763	VYXAJPKLNRIOSU-HGEIODPWSA-N	382.514	4.636	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccco1	14407610	QQWXGEZTHOFOKU-SSDVNMTOSA-N	389.238	4.929	50	40	GJGB	
C=CCn1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	33722039	SOOZZAYVSKCSEG-RGEXLXHISA-N	394.478	4.574	50	40	GJGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	59116975	IXVAQYXHQWJQCY-WQLSENKSSA-N	391.652	4.657	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	408726359	QWAOUNLKRJDQJG-RGEXLXHISA-N	376.456	4.758	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1CSCc1ccco1	676323	LKXNXLRHHXJKOI-FSJBWODESA-N	398.459	4.625	50	40	GJGB	
CC1(C)Cc2c(ccc3ccccc23)C(NNC(=O)c2ccc(Cl)cc2)=N1	805740	AUTLXCDEDHEXEN-UHFFFAOYSA-N	377.875	4.509	50	40	GJGB	
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	4083850	UQDVIOVBUJQLGW-FYWRMAATSA-N	392.256	4.785	50	40	GJGB	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c1	6715025	NPRBGPYXPDMPPK-HSZRJFAPSA-N	383.495	4.917	50	40	GJGB	
O=C(CCCl)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1	11690437	WENKFUDWBDFPEG-UHFFFAOYSA-N	383.222	4.974	50	40	GJGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	34262535	HDUYGIXEMBPDBD-FBHDLOMBSA-N	377.227	4.902	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(Cl)c(Cl)c1	58917791	GVLUBCVIVWLYJX-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
O=C(F)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	91302246	YJQKHJGWVHQCSZ-UHFFFAOYSA-N	395.093	4.562	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2[C@H](C)CC1(C)C	208311780	BJASCSXYXNDTMA-SCELWYEFSA-N	393.531	4.880	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1O	408601103	IKGZBZFEGLAPOV-WYMPLXKRSA-N	398.821	4.528	50	40	GJGB	
CCC(CC)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2Cl)c1	676277	HEQGWVOIAAQFBA-ZVHZXABRSA-N	385.895	4.869	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC	7351618	KLDRZXYQUQKUNG-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccccc1Cl	408976503	REPRUVVCDIARRH-FSJBWODESA-N	398.846	4.593	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)cc1	664601	GROHURKWLYYLBW-SFHVURJKSA-N	388.446	4.731	50	40	GJGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	1966875	BOMRUVZPJDWYDK-PXLXIMEGSA-N	389.476	4.912	50	40	GJGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1	2726896	DROYJOCWEGMGOZ-XSFVSMFZSA-N	382.419	4.760	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2ccccc2)cc1	5484090	MMQAFUGSJUXZOE-NRFANRHFSA-N	390.446	4.962	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	5880583	SJXIWALEIHDIEV-WYMPLXKRSA-N	388.345	4.738	50	40	GJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccccc2C)[C@H](C(=O)OC)C(O)=N1	6050899	RNTXTVRKFATPHU-ROUUACIJSA-N	386.517	4.887	50	40	GJGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12	13425348	ZJBATUFOEUOUDT-XMHGGMMESA-N	395.462	4.596	50	40	GJGB	
O=C(N/N=C\c1cccc(Br)c1)C(c1ccccc1)c1ccccc1	33396709	TXEPKARTSNUUMM-HAHDFKILSA-N	393.284	4.731	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)cc1	100278989	GZFRVEWXGIRKOB-AQTBWJFISA-N	386.407	4.587	50	40	GJGB	
N#CSCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl	226328558	FDGKRLBCGGDFRZ-UHFFFAOYSA-N	378.240	4.954	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NCCCc1ccccc1	409226323	MZDHEMOPUAITBQ-MOHJPFBDSA-N	396.490	4.922	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1C(=O)O	2766046	UQCSKPRGKRCDDH-SDNWHVSQSA-N	392.798	4.844	50	40	GJGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC/C=C/Cl)cc1	4401839	JHBLSTPPAANBOW-RIVMQPRSSA-N	388.920	4.590	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	4721156	FWEBQCFXVAHBJJ-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	6495168	VMKVAJABAZHTRG-MRXNPFEDSA-N	399.859	4.520	50	40	GJGB	
O=C(Nc1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1	6885484	PHHSRGDMZQVFJZ-UONOGXRCSA-N	383.083	4.525	50	40	GJGB	
CCCCOc1ccc([C@H]2C(C#N)=C(S)NC3=C2C(=O)CC(C)(C)C3)cc1	19205222	YJYKTNLQLIVUAW-IBGZPJMESA-N	382.529	4.860	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)c(OC)c1	33673974	ZMNGDHMGBADQNR-FBHDLOMBSA-N	388.876	4.644	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cc(Br)cs3)c2c1	98008679	CSMGVUVWCKSNQS-WMZJFQQLSA-N	387.258	4.790	50	40	GJGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)C2=C(O)CCCC2=N1	102369482	QYQLIKPVYVRRIX-LJQANCHMSA-N	382.485	4.561	50	40	GJGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(F)cc1	217711547	AWEZBGXBMLUQGW-UHFFFAOYSA-N	387.632	4.945	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccncc1	408723450	VDHNKQCBIPONSS-DHRITJCHSA-N	388.858	4.502	50	40	GJGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccs2)c1C	409200214	QWNVPOYEMBAEAW-WSDLNYQXSA-N	385.920	4.810	50	40	GJGB	
Cc1cc(/C=N/NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccccc1	5739768	GRFZRCIRPDWHEK-WGOQTCKBSA-N	397.478	4.776	50	40	GJGB	
O=C(CCCCl)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20133616	JWMGHLMRODPLAE-UHFFFAOYSA-N	378.856	4.972	50	40	GJGB	
CC[C@H]1CCc2sc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2C1	21274442	JUVFDKNTAZRYOD-KKBVUKDESA-N	391.880	4.589	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)o2)cc1	33414397	VOSABAUETKKXFC-ATVHPVEESA-N	383.407	4.982	50	40	GJGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccccc1	408718744	DTOQMIFLSZMYQL-WEBHZPBLSA-N	392.499	4.551	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)cc1	408981047	YMPJRYKZGCXHFP-DEDYPNTBSA-N	388.471	4.554	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	409076133	YFNKCYYJWCFOQS-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(OC)ccc4[nH]3)o2)cc1	15013764	KNPJNOKCNVLQOF-LFIBNONCSA-N	399.406	4.682	50	40	GJGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)Cc2ccc(C)cc2C)cc1	20194934	FDKREHMQFXICHP-WGOQTCKBSA-N	386.495	4.884	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1F	28216445	SNOXMVKVWHYJSS-PTZPRWATSA-N	395.503	4.864	50	40	GJGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1	55075699	AYKOBCKXRRRNKU-UHFFFAOYSA-N	383.495	4.735	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	3067236	JDOCDJWHRHSNMK-SRZZPIQSSA-N	376.909	4.617	50	40	GJGB	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NN(c1ccccc1)c1ccccc1	14245246	KVJDJKAHVPLUHE-XMMPIXPASA-N	397.478	4.820	50	40	GJGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1C	408961880	PEAIPSFLFLGRDT-FMCGGJTJSA-N	391.427	4.726	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1Cl	409186975	KKANLRYKILSMIC-SRZZPIQSSA-N	396.859	4.724	50	40	GJGB	
COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc2c(c1)c1ccccc1n2C	655114	AFAYLLXYMBBONI-ZMOGYAJESA-N	391.858	4.757	50	40	GJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	408587665	GPVFDNOEIHMTKP-ZMOGYAJESA-N	383.854	4.579	50	40	GJGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OC	408599712	YVWHKVRELMSETP-NSIKDUERSA-N	392.238	4.618	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1	408863729	QJTHOGQWPLBWQB-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
O=C1N(Cc2ccccc2)c2ccccc2[C@@]1(CBr)c1ccccc1	2145194	MCHULFOLTGHTHS-JOCHJYFZSA-N	392.296	4.914	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	2293671	IKYOFTVPRODDIH-WGOQTCKBSA-N	397.478	4.771	50	40	GJGB	
CC(C)=C[C@@H]1[C@@H](C(=O)OC(C)(C)[C@H](Br)CBr)C1(C)C	4429874	INEXNAHDVGGQHF-UTUOFQBUSA-N	396.163	4.705	50	40	GJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OC	33725641	GDIWPJSIRZKFJU-ZROIWOOFSA-N	386.220	4.673	50	40	GJGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1	1454107	UGGUXCVNKCRSFO-UKTHLTGXSA-N	385.901	4.994	50	40	GJGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc2ccccc2c1	3444175	OBFXHGCTMRFCSB-UHFFFAOYSA-N	380.856	4.783	50	40	GJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/[C@H]3CC=CCC3)cc2)cc1	5020820	PZXGFAHJDSXPFY-MRSJDWDVSA-N	378.472	4.736	50	40	GJGB	
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCCl	5106911	MUCUFJQPMXZTBB-UHFFFAOYSA-N	386.835	4.651	50	40	GJGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	6602504	LMEMJOBOYAJKPH-KPKJPENVSA-N	394.736	4.603	50	40	GJGB	
Cc1[nH]c2ccc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc2c1C	6662174	GHFREVVTFFYQMR-UHFFFAOYSA-N	397.887	4.728	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OC	7164582	CVIVQFKHSMDVSZ-FMIVXFBMSA-N	377.227	4.556	50	40	GJGB	
CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br	20760618	PRNKBJCUYPTMMP-KEBDBYFISA-N	395.684	4.654	50	40	GJGB	
C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(Cl)cc1	409010994	FDEISRPHOATXDN-YDZHTSKRSA-N	386.879	4.516	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccccc1	4748732	XPVIEFCGWDUYRJ-CVKSISIWSA-N	385.442	4.901	50	40	GJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1	15357223	LAFSMFFMORYVQN-ZSOIEALJSA-N	383.860	4.834	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C	409042148	WFQDBCPSYDBWIX-QQXSKIMKSA-N	395.462	4.983	50	40	GJGB	
C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)Cc1cccc2ccccc12	4676333	HWBKEFLFFOVMOZ-NLRVBDNBSA-N	387.483	4.520	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1OCC	59473418	GNLSRSNXOWHBLJ-CJLVFECKSA-N	386.517	4.507	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	408925952	VFTUZEWZZYQHGW-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl	803603	CIRIXZNSUUUNJV-QGZVFWFLSA-N	398.249	4.826	50	40	GJGB	
O=C(Cn1c(NCCCl)nc2ccccc21)c1ccc(Cl)c(Cl)c1	4725906	XNJKFNGDIZAMNU-UHFFFAOYSA-N	382.678	4.877	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408795901	NMEAVKFDYGUIDE-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
O=C(Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2O)C(Cl)Cl	5047762	DDEDGENHRMDZCS-CYBMUJFWSA-N	377.054	4.798	50	40	GJGB	
N#CC(NC(=O)c1ccc(OCc2ccccc2Cl)cc1)=C(Cl)Cl	32594149	GJVGPPPUXLOSBQ-UHFFFAOYSA-N	381.646	4.819	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC	1780909	UKQWDJLNLQKLSC-XMHGGMMESA-N	385.485	4.603	50	40	GJGB	
Cn1c2ccccc2c2cc([C@@H]3[C@@H]4CCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	2769831	SUXMTDFHBNMSGN-WZONZLPQSA-N	389.462	4.535	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(Cl)cc1	408771574	HJGVDRKYBYGBSK-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3)c2C)cc1Cl	409063328	KPMZANMFKMDETP-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1	5559223	PVPDCKLQNIATJE-PXLXIMEGSA-N	397.430	4.842	50	40	GJGB	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1	6546273	MVBMAEAXFDKELP-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	7009330	PHLXXDSMTBOJPS-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccccc3)c2C)c1	28216171	JFZQVIMNGOYWHT-OEAKJJBVSA-N	377.513	4.645	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc(C)c1	59334641	JBCUGHILWDCOOT-ZDLGFXPLSA-N	398.890	4.621	50	40	GJGB	
C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccccc3nc12	101041840	WWOOALUAGOTYDL-AMKSKSKJSA-N	396.126	4.555	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)CCc3ccccc3)cc2[C@H](C)CC1(C)C	208304095	LMWYLINWNDQGBK-IFJOVRIVSA-N	377.532	4.882	50	40	GJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OC	409388962	AANRTBKIECJQJU-NVNXTCNLSA-N	386.220	4.673	50	40	GJGB	
C[C@H](Br)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1	2151868	FTKJLHZSLKRBKT-VIFPVBQESA-N	389.171	4.615	50	40	GJGB	
CCOP(=S)(OCC)SCc1nc(-c2ccc(Cl)cc2)no1	2383445	UGUBAYAJDHWDSZ-UHFFFAOYSA-N	378.843	4.921	50	40	GJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1	2675534	GDLCVHQYYBYWEF-SRZZPIQSSA-N	385.678	4.956	50	40	GJGB	
CC[C@H](C)c1ccccc1OCCn1cc(/C=N/NC(=O)OC)c2ccccc21	4091884	QUBFWMKQVNNBOW-SYXCRGJESA-N	393.487	4.924	50	40	GJGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccccc2)cc1	4660361	OZONBNVTNJRGOM-HYARGMPZSA-N	391.452	4.651	50	40	GJGB	
O=C(CCCl)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12	5106982	KRSMWRRXEOHNAV-UHFFFAOYSA-N	378.762	4.531	50	40	GJGB	
CCC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(OCC)cc1	21965733	BTZRXFOYEHIECG-DYTRJAOYSA-N	389.293	4.782	50	40	GJGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccccc1F	2232336	IPAFYBKZDHAWQZ-INIZCTEOSA-N	399.878	4.699	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)C(C)(C)C	4523827	AORMEQPKCIQSQT-UDWIEESQSA-N	377.282	4.519	50	40	GJGB	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1	5620973	MBYJRYWHAWNMGQ-CIAFOILYSA-N	375.310	4.506	50	40	GJGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccccc2Cl)o1	6227256	ATLWHMBRPSKUNQ-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(C(=O)O)cc1	2777351	XIIORZHVPSKCRJ-RVDMUPIBSA-N	392.798	4.844	50	40	GJGB	
C/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1	4699598	UUPAIVPSMVEGTM-NCELDCMTSA-N	385.467	4.672	50	40	GJGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccccc1	59445300	QYUMVRDMXJCPAS-YZSQISJMSA-N	394.430	4.823	50	40	GJGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccccc1F	62715618	ZPHKTIAHKNAORU-VOTSOKGWSA-N	399.643	4.954	50	40	GJGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)o1	409393504	XWLLQVJZTONXFU-JFLMPSFJSA-N	394.434	4.534	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C	4090791	UFDQTIVEYICGEQ-MOSHPQCFSA-N	385.467	4.962	50	40	GJGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1cccnc1	4702571	LABOZWKGYHFNGL-OBMCKAMCSA-N	379.807	4.620	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(C(=O)O)cc1	6321462	NPIPMUYHEXWEDF-MTJSOVHGSA-N	399.402	4.726	50	40	GJGB	
COc1ccc(-c2c(C)oc3cc(OCCBr)ccc3c2=O)cc1	6764283	AJYUIOXIRBQZFE-UHFFFAOYSA-N	389.245	4.551	50	40	GJGB	biogenic
CCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	107162327	NSZQMSNDYQNSII-CFRMEGHHSA-N	394.393	4.657	50	40	GJGB	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(O)(CO)C1	196054441	LRPOUPMVTBAWSX-HOTGVXAUSA-N	390.713	4.675	50	40	GJGB	in-vitro
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	409246003	CJAJCGIKDUYHNL-RGEXLXHISA-N	375.472	4.540	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	7078290	ZQNXMLKEZIYMEW-OMBDHMDGSA-N	376.909	4.760	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c1	408792349	ASIHOVIQOYLUBB-HYARGMPZSA-N	393.446	4.991	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1	409092739	WCDPLSPXTZDOQB-YSMPRRRNSA-N	388.511	4.932	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1	409108961	ZVNPRJQSAFVZAX-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	208446786	HIWMDWMRRHMRFO-PDGQHHTCSA-N	387.483	4.873	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1	408692384	LIEISJDOAZDUMT-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791500	YGZVVOPIVARXHY-CPNJWEJPSA-N	399.406	4.719	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c1	408875090	CVNDVNDSVYLVCP-CXUHLZMHSA-N	399.288	4.956	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC	2861215	ASPGPZQDNYZCKD-LFYBBSHMSA-N	379.199	4.983	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	4047694	ALSAXACYUNPGBW-UDWIEESQSA-N	399.450	4.646	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	7159657	ODQZUWLDEWFCAX-LFIBNONCSA-N	384.863	4.992	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	7210501	FRSQEALTYUMODW-MHWRWJLKSA-N	382.847	4.768	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)o1	408807173	GLLANRUGXZIWMK-PJCBJOBNSA-N	393.443	4.765	50	40	GJGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(F)cc1	409147602	VJWJCEIDFLUDOO-SRZZPIQSSA-N	385.291	4.906	50	40	GJGB	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1	6546268	MVBMAEAXFDKELP-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3C)o2)C1=O	100795859	ZOKVYUCZGYNYAQ-GZTJUZNOSA-N	394.858	4.911	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c([N+](=O)[O-])c1	408590877	QYIYUTDLLDAVEZ-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1c(C)cccc1C	408916126	VAOIFFQQPTYMAO-MFKUBSTISA-N	390.483	4.775	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC	409072042	AKDBSCSVBZMLJN-MHWRWJLKSA-N	382.847	4.631	50	40	GJGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)c1	872832	DDGSWCNEPQXCGP-XMHGGMMESA-N	399.494	4.523	50	40	GJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1	15224354	YDJSPVNQFJPENF-XMHGGMMESA-N	398.374	4.604	50	40	GJGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1	408723028	PRHFWWNOAVQYLQ-ZVHZXABRSA-N	384.391	4.562	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c(C)c1	408910665	XPKGPSPTRHQXAM-BUVRLJJBSA-N	382.504	4.511	50	40	GJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3139286	WTZCVAZODKRXQN-WGOQTCKBSA-N	398.462	4.921	50	40	GJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c(C)cc(C)cc3C)cc2)c1	4679328	JZPQYFMWMAKVDY-CVKSISIWSA-N	399.494	4.936	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	4711890	OUQKUAOIIWIONX-IPIVFHEZSA-N	387.443	4.678	50	40	GJGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)C(C#N)=C(N)O2	18284806	NIRYZDSXUBEKQD-MRXNPFEDSA-N	387.226	4.503	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)c1ccccc1	28216649	INNBUQRYEUOWQV-JHXRPTDYSA-N	395.890	4.585	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1Cl	408907664	CBDNZXBRDYHRHF-ZVHZXABRSA-N	396.874	4.811	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1	3217467	LBHYBBYMMYFZQJ-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1	96476392	GUZJLROYDATIAH-GHXNOFRVSA-N	393.668	4.794	50	40	GJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC	213130308	GLPPNYKTSAVINA-XFXZXTDPSA-N	377.227	4.556	50	40	GJGB	
CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCBr)cc1	225744644	YEFUMCRLWAVFBC-SFHVURJKSA-N	386.330	4.774	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1	408777206	WIKYIFWSRTXNLR-NHFJDJAPSA-N	397.522	4.707	50	40	GJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1O	409021969	GOPQYXAMDVLNDR-FMCGGJTJSA-N	398.846	4.683	50	40	GJGB	
CCOc1ccccc1/C=C(/C#N)c1ccc(I)cc1	409372439	LTFDKEHJQXNAHZ-PTNGSMBKSA-N	375.209	4.754	50	40	GJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl	4509041	HDUYGIXEMBPDBD-UFFVCSGVSA-N	377.227	4.902	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)c1	4869687	GQYJNHBUEIXDGZ-YSMPRRRNSA-N	397.478	4.527	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4922457	CBZTVJBFPUMXJL-HXUWFJFHSA-N	389.524	4.831	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)cc3)n2)c1	5007566	XXODFJZTGFUVBS-LICLKQGHSA-N	376.437	4.808	50	40	GJGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1ccccn1	16695104	CJGQMXUFWXWAHL-NBVRZTHBSA-N	393.406	4.907	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1ccccc1)C2	38204042	LIOYZDXUAQPRGK-CFRMEGHHSA-N	375.859	4.624	50	40	GJGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1	55008972	JFGMNNOYAWHJTA-UHFFFAOYSA-N	397.522	4.587	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1	59410735	MYMYYRYUXNYCIF-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1	80345438	HSTBLWBSTWTYSS-KGENOOAVSA-N	379.412	4.956	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1cccc(F)c1	408812895	MOKKSIFXPMNETE-YDDPGSGASA-N	396.462	4.625	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408923829	KMFMVBPKHSMECT-RMKNXTFCSA-N	380.162	4.586	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1Cl	409040338	GJQXIGJOEPCGID-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)c1	409242221	VRWIZFMFRYXWGE-QFEZKATASA-N	377.463	4.543	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C(\c1ccc(O)cc1)c1ccc(Cl)cc1	4672092	VSUTUPZSXDUSSX-LVWGJNHUSA-N	378.859	4.547	50	40	GJGB	
CSc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	5362231	YLQPBFGPVIFPEE-HZHRSRAPSA-N	376.481	4.605	50	40	GJGB	
C[C@H]1CCc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1	5525577	IFPCHEWDXUFRMD-QVIVLVACSA-N	391.399	4.842	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1OC	409011882	OTWMRMQVIZSGQB-LFVJCYFKSA-N	376.456	4.791	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1	409106543	NYZQUKPQEUTLEZ-UFFVCSGVSA-N	377.227	4.902	50	40	GJGB	
O=C(N/N=C/c1ccc(N2CCCC2)c2ccccc12)c1ccc(Cl)cc1	409188650	IZWUEYHQBYBQOT-BUVRLJJBSA-N	377.875	4.857	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2	409363520	MCGIMHGUXHHREV-QPEQYQDCSA-N	378.315	4.787	50	40	GJGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc(Cl)c3)c2c1	871082	SBPBFENVXFIDCZ-SSDVNMTOSA-N	383.904	4.747	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cccs1	1059659	NHBBFKXHVAUENX-IBGZPJMESA-N	393.487	4.828	50	40	GJGB	
N#C/C(=C\Nc1ccc2cn[nH]c2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4333917	KPIAMORPPUHSAL-NTEUORMPSA-N	388.412	4.571	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1	7159638	KESXBGSDYFBOKU-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
Cc1c(-c2ccccc2)sc(NC(=O)CCl)c1C(=O)N1CCCCC1	8428185	PEBPXUOLRVUGCO-UHFFFAOYSA-N	376.909	4.527	50	40	GJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	14134312	FEZUUJYTDZSHRU-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1	20132963	ISRFUVDFTIPNTI-QMMMGPOBSA-N	379.682	4.981	50	40	GJGB	
CCCCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	408737110	JOPABKLPLKXYDU-QJOMJCCJSA-N	397.475	4.637	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc([N+](=O)[O-])cc1	409216133	FOJSHRNEHQKUKT-UITAMQMPSA-N	398.010	4.777	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Cl)cc(Cl)c1O	3663640	AMOOILQKYCUXDW-LSHDLFTRSA-N	389.238	4.625	50	40	GJGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2C1	4923150	DKKRFUOGDCIGGY-MRXNPFEDSA-N	395.915	4.868	50	40	GJGB	
COC(=O)c1cc(N/C=C(\C=O)c2nc3cc(Cl)ccc3o2)ccc1Cl	5511358	DUHUHQACPZELBF-CSKARUKUSA-N	391.210	4.573	50	40	GJGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc(C)c(C)c2)cc(OCC)c1OCC	5906162	CQVQHPZUJPKWIY-JJIBRWJFSA-N	398.503	4.654	50	40	GJGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1	100860113	IQPKTXZBVDIBJZ-MHWRWJLKSA-N	389.436	4.718	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408734706	IQHAZWYPQDXLJZ-MHWRWJLKSA-N	382.847	4.768	50	40	GJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	408802195	XMJQFXPWJCVYEX-XNTDXEJSSA-N	385.261	4.782	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(OC)c1	409011499	NOLQUWJZLWNWOA-LFVJCYFKSA-N	376.456	4.791	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1O	1095553	HXJLBFLZRYZMQB-XDHOZWIPSA-N	376.456	4.682	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)cc1OC	2286617	YAPSIXINRBGOQS-SDNWHVSQSA-N	381.432	4.943	50	40	GJGB	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1	3140833	UVZGTSKEUBRFOB-UHFFFAOYSA-N	379.257	4.632	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1OC	4175025	JGQUOVZPWAUBOY-NVNXTCNLSA-N	392.436	4.620	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1	4807312	AFSAELKHHRGXOH-SXGWCWSVSA-N	378.453	4.900	50	40	GJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	5413528	FLYUMDAZOIXHRM-PCLIKHOPSA-N	385.467	4.826	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OCC(C)C	6646358	QYQYLQUPLIUIFS-GIJQJNRQSA-N	394.471	4.667	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc(OC)c1OC	44028269	DEIJAVRFNSIUFR-KPKJPENVSA-N	392.238	4.809	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1	409375303	ISXUNIRGGVQHNF-MDWZMJQESA-N	396.790	4.569	50	40	GJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(F)cc2)o1	409392885	STOSHKVLRQPOPS-VULFUBBASA-N	387.414	4.801	50	40	GJGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1	16994480	CEAJWHHXBKJNSB-SSDVNMTOSA-N	387.270	4.710	50	40	GJGB	
O=C(/C=C/c1ccc(OCc2ccccc2F)cc1)Oc1ccc([N+](=O)[O-])cc1	103705276	XUKMRKZGSSITRE-VGOFMYFVSA-N	393.370	4.932	50	40	GJGB	
Cc1ccc(C(=O)OCC2=C(OC(=O)c3ccc(C)cc3)C[C@H](Cl)O2)cc1	1560406066	IRHFZDFPRWPRPA-LJQANCHMSA-N	386.831	4.514	50	40	GJGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1	4504947	IQVZMPFUJYLCOU-KIKXOIQRSA-N	379.460	4.536	50	40	GJGB	
CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4817117	ZJQQEFWBXHRQSD-RVDMUPIBSA-N	391.452	4.914	50	40	GJGB	
O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1ccc(-c2ccccc2)cc1	6283300	UTRHOLBDWSLRCO-ISLYRVAYSA-N	392.458	4.981	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1O	13564007	DHLVQCHJILYPRR-WGOQTCKBSA-N	381.435	4.761	50	40	GJGB	
CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	20033059	WHYQJEBNEMPQOI-OAQYLSRUSA-N	390.508	4.879	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc([N+](=O)[O-])c1O	36056547	WNTHVZFTVRBKRV-VIZOYTHASA-N	393.424	4.805	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408737671	UINYQPUOBYAWAI-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408875842	LVZWOSLKUCAEBX-VIZOYTHASA-N	385.261	4.620	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1	409386104	LBCUSRMFRYDRNA-XDHOZWIPSA-N	391.858	4.980	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	3231774	LTECHBTVKVGWPJ-SSDVNMTOSA-N	379.287	4.820	50	40	GJGB	
CCn1c2ccccc2c2cc(NC(=O)C(=O)NN=C3CCCCCC3)ccc21	4675458	CBNWNIOCAFXDEE-UHFFFAOYSA-N	390.487	4.579	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(F)cc3)c2C)cc1Cl	8812254	VEZGOXNITVVGGO-WYMPLXKRSA-N	383.854	4.959	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)cc1	15013065	LQWSIUQKMCWKHT-GHXNOFRVSA-N	377.227	4.643	50	40	GJGB	
Cc1cc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)ccc1Br	59249444	MMKKRNMQFQMUFT-SRZZPIQSSA-N	399.292	4.713	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)o1	408807167	GLLANRUGXZIWMK-IGLNIBIMSA-N	393.443	4.765	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCC	409085556	ZVNBOIWWKCSEON-QGOAFFKASA-N	394.446	4.897	50	40	GJGB	
O=P(C(=S)Nc1ccc2c(c1)CCC2)(c1ccccc1)c1ccccc1	2561309	WSCIBSUXBQHWJH-UHFFFAOYSA-N	377.449	4.886	50	40	GJGB	
CC[C@@H](C)c1ccc(OCCn2cc(/C=N/NC(=O)OC)c3ccccc32)cc1	4091878	LVGRRURDQIZRLY-HIQXPHMNSA-N	393.487	4.924	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC	4175053	PMDUAHACEASTFC-DHDCSXOGSA-N	393.424	4.800	50	40	GJGB	
Cc1ccccc1OCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)o1	6789819	YTCHJEVDJAXSEL-DEDYPNTBSA-N	379.437	4.505	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(-n2cccn2)cc1	22592138	OEDXHUGBDQSEHU-UHFFFAOYSA-N	381.650	4.589	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC	30802777	WASHTKKOLWGQCM-CFVCMMAASA-N	394.515	4.645	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2C[C@@H](c3ccccc3)CC=C12	103582151	SVKRRWGGOBPWRH-RRPUWOKSSA-N	376.463	4.674	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C)C(C)(C)C=C2C	208462490	WCXCGFZQIVXPQP-OYKKKHCWSA-N	392.503	4.791	50	40	GJGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408801660	WSFLKLLKMAERJP-MHWRWJLKSA-N	382.847	4.768	50	40	GJGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(N/N=C/c2sccc2C)c1	4918996	MSUMBCRFBWSTRZ-HGEIODPWSA-N	382.514	4.636	50	40	GJGB	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1c(F)cccc1Cl)Sc1ccccc12	850163	FYVQRJMFFPQFJF-MRXNPFEDSA-N	380.835	4.618	50	40	GJGB	
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Cl	5106915	DOLTXVYIBJWDBF-LBPRGKRZSA-N	386.835	4.650	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	6266966	AKGNVHABZQDFJJ-XSFVSMFZSA-N	385.467	4.957	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	6295857	GVFXOVJFSCWQSE-GDNBJRDFSA-N	385.217	4.986	50	40	GJGB	
CCOC(=O)/C(C#N)=C/C=C(\Sc1nccc(C)n1)c1ccc(Cl)cc1	16682016	VVKLDVPBMJWXOZ-CMAUSLHASA-N	385.876	4.585	50	40	GJGB	
O=C1CCC/C(=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1	103458034	JNBQVNYNHKJLDZ-XLNRJJMWSA-N	386.904	4.861	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3Cl)c2C)c1	408765237	KTHYYUVYFZUEEJ-CFRMEGHHSA-N	395.890	4.585	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	409058229	SHZOUIMWOBRUBY-XMHGGMMESA-N	399.406	4.676	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(C)cc1	4995022	NIDAZHZDSULWQW-UUYOSTAYSA-N	387.270	4.846	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1	15012253	SCVYKYIHSBNAFN-AQTBWJFISA-N	389.430	4.788	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2F)c1C	59104306	KFWIFMOGEJVVBS-AFUMVMLFSA-N	377.463	4.868	50	40	GJGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1	83307100	RTQQFGIYVXOPKH-OCKHKDLRSA-N	377.625	4.613	50	40	GJGB	
O=C(N/N=C\c1cccn1-c1ccc(F)cc1)c1cc2cc(Cl)ccc2o1	409022328	KCEJKEMZNIDPLQ-FMCGGJTJSA-N	381.794	4.780	50	40	GJGB	
O=C(c1ccc(Cl)cc1C(F)(F)F)[C@@H](Br)CBr	575360288	APBHUVIZCDVGJO-QMMMGPOBSA-N	394.412	4.700	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)s2)c1	408787080	QVHHCRYBGOJOSX-WQLSENKSSA-N	391.290	4.843	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cc2cccc(F)c2)c1	408883079	TVMGEGPDWUDOCY-XSFVSMFZSA-N	386.426	4.971	50	40	GJGB	
CCCCOc1ccc(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2195500	IJRDEDQLMUDJHS-KOEQRZSOSA-N	390.483	4.807	50	40	GJGB	
O[C@H](CCl)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31	4150835	FQHLSJGZUNDOTA-XMSQKQJNSA-N	386.967	4.982	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OC)c1	5585320	PIVVDJIOEODNEG-CPNJWEJPSA-N	377.488	4.704	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc(-c2ccccc2)n[nH]1	67197099	GHNVLHPJNSIGSD-YDZHTSKRSA-N	390.830	4.754	50	40	GJGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3ccccc3O)cc2[C@@H](C)CC1(C)C	223546035	LSRVAAOOXNSZEJ-SGMWPGOQSA-N	379.504	4.657	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12	409240998	MSZAMMHFZHHKMU-YSMPRRRNSA-N	385.442	4.522	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)cc1C	4922565	UHTMQHBYQRRNAG-HXUWFJFHSA-N	389.524	4.831	50	40	GJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	14608546	IMRXRVLSBIDWOK-AQTBWJFISA-N	396.450	4.821	50	40	GJGB	
CCc1ccc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1	20238007	ANSKWMFJBODYFG-IBGZPJMESA-N	381.545	4.597	50	40	GJGB	
CSc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	34871294	OTJWWZKZUIZCEY-MHWRWJLKSA-N	399.415	4.645	50	40	GJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1c(O)ccc2ccccc12	408776846	RDMWXTLSDZVXJG-SSDVNMTOSA-N	384.888	4.582	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408874069	ZEOSBXMAALKWDL-LFYBBSHMSA-N	391.652	4.657	50	40	GJGB	
CCOc1cc(C(=O)NN=C2CCCCCCC2)cc(OCC)c1OCC	5475073	NPECDTKCEGWDQK-UHFFFAOYSA-N	376.497	4.713	50	40	GJGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccsc2)/C(=C/c2ccsc2)C1	19805242	UHQXLAWUOSCXFG-LRCYMOHKSA-N	395.553	4.679	50	40	GJGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc2c(s1)CCCCC2	21285835	MFFSUJDFDHUKOJ-UHFFFAOYSA-N	399.394	4.701	50	40	GJGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59254945	BVGLAQVUWLIGFB-RVDMUPIBSA-N	399.834	4.973	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1	59534486	WCZVTYDIFKUFOI-XDHOZWIPSA-N	375.497	4.687	50	40	GJGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	954235	ZAHUPCFZPBCCFR-GZTJUZNOSA-N	377.444	4.727	50	40	GJGB	
CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	2771608	BYYRQXOIBBKOTH-HLNOYYKJSA-N	395.547	4.966	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	59117210	RVGNYHXQURMRCI-FOWTUZBSSA-N	382.847	4.849	50	40	GJGB	
O=C(N/N=C/c1ccccc1O)c1ccc(CSCc2ccccc2)cc1	59472987	GUNSKPAUYIWQHS-OEAKJJBVSA-N	376.481	4.590	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C	408743517	GJFHXGCGOYMWDC-UYRXBGFRSA-N	399.450	4.646	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Cl)cc1	409187072	LOXZRWAWVFWKBJ-SRZZPIQSSA-N	396.859	4.724	50	40	GJGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C	2807735	KNFIVRXRXLNYLX-SFQUDFHCSA-N	379.416	4.628	50	40	GJGB	
C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	4359285	BVBZMAYMVLEUCP-ZXVVBBHZSA-N	399.494	4.725	50	40	GJGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccccc1	33796954	INKOXKXVXILKGG-SQFISAMPSA-N	392.256	4.785	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c(C)c1	1407033	JZZDRZIVHINJBA-GHRIWEEISA-N	386.407	4.587	50	40	GJGB	
CCOC(=O)c1c(NC(=O)CCl)sc(Cl)c1-c1ccc(F)cc1	1465863	KBRHGZFLEROINL-UHFFFAOYSA-N	376.236	4.562	50	40	GJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	20100822	XFCKOQRFZYEAAC-YDZHTSKRSA-N	398.846	4.528	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)ccc1OCC#N	44027402	KUAVQGPAUJFGHJ-RIYZIHGNSA-N	391.814	4.522	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2cccs2)c2ccccc2n1Cc1ccc(F)cc1	408588232	ILAZXIMPRXARDQ-ZMOGYAJESA-N	391.471	4.963	50	40	GJGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl	408791651	AGVDGUSVRZWSDD-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408795465	MLDMEIPNBONAKG-LFIBNONCSA-N	382.847	4.849	50	40	GJGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1	408995398	CGQWCVCYBVMUDG-QMTXZSMPSA-N	395.462	4.768	50	40	GJGB	
O=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl	1470852	BXAWZJZMYSSHAK-UHFFFAOYSA-N	387.060	4.511	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)cc1	4922620	ZDKRDZYUNKTPIW-IBGZPJMESA-N	375.497	4.523	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2C1	4922732	VZCJKQMKZYVCKA-KRWDZBQOSA-N	393.487	4.608	50	40	GJGB	aggregator
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	5814897	IJFQFLYKGVTCLJ-LICLKQGHSA-N	394.858	4.523	50	40	GJGB	
CCCCCCCCCCCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN	68568865	KIOIRKCJGMENQO-LJQANCHMSA-N	379.501	4.643	50	40	GJGB	biogenic
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	226337344	HDHQWHQSWFIPFW-QPJJXVBHSA-N	382.199	4.614	50	40	GJGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c(C#N)c1C	409362334	UWXQULFOCRRWFD-BHGWPJFGSA-N	394.862	4.593	50	40	GJGB	
O=C(COc1cc(Cl)c(Cl)c(Cl)c1)Oc1ccc([N+](=O)[O-])cc1	808585	RZRFMZCUBUBUPW-UHFFFAOYSA-N	376.579	4.539	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1	946250	ZGLGMWGHAKYXQM-AFUMVMLFSA-N	393.450	4.784	50	40	GJGB	
Cc1c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1C	4357444	PRYXNQUGWAGWOV-YZSQISJMSA-N	381.479	4.769	50	40	GJGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	6225274	MRDFDIZNTJVGNS-ZVBGSRNCSA-N	393.346	4.592	50	40	GJGB	
CC(C)c1ccc(-c2nc3cc(N4C[C@H](C(=O)Cl)CC4=O)ccc3o2)cc1	57327055	ANXMVUMTYKRLBQ-OAHLLOKOSA-N	382.847	4.737	50	40	GJGB	
O=C(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	59213748	MKQLYXMTVGHROJ-UHFFFAOYSA-N	394.539	4.803	50	40	GJGB	
O=C(N/N=C\c1ccccc1Cl)c1cc2cc(Br)ccc2o1	83296163	YKRAZLWKWKTWOO-OCKHKDLRSA-N	377.625	4.613	50	40	GJGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2)cs1	100601046	CVZZGDVIXOEDQR-GXDHUFHOSA-N	380.860	4.539	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Cl)cc1OC	408791577	YYBOFUOYEBRLCG-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)o1	408816596	UYJIACBMWGDCTI-SKGXBQSDSA-N	393.443	4.765	50	40	GJGB	
N#CC1=C(N)Oc2ccc3cc(Br)ccc3c2[C@H]1c1ccc(F)cc1	692233	FXHGXIYTHAEIBG-SFHVURJKSA-N	395.231	4.960	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	1102834	PNYZGSRZZFTTOE-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)O	2774272	YAFUBHIVFLDKFX-XMHGGMMESA-N	398.418	4.509	50	40	GJGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1	4311890	OYZPBJXCKCMVDS-UVFQYZLESA-N	392.453	4.831	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OC(F)F	5070419	JFPOUBQUDRCIPC-NTEUORMPSA-N	382.366	4.876	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2cccs2)cc1	5621115	JIDKQZUJYZPYGT-YDZHTSKRSA-N	397.887	4.808	50	40	GJGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(Br)c1	59383033	LLKOFKKDELQLSE-YBFXNURJSA-N	397.725	4.735	50	40	GJGB	
CCc1sc(C(=O)N/N=C(\C)c2nc3ccccc3n2C(F)F)cc1C	83817503	ORDUPZZCDONBRB-SSDVNMTOSA-N	376.432	4.518	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408794203	IICQUCGWSFHYEC-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1Cc1ccccc1	409233060	DBJBVPRWAFPMAW-UQQQWYQISA-N	397.522	4.809	50	40	GJGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc(Br)ccc1F	664353	WKKVCOIJWWQRCP-SFHVURJKSA-N	395.231	4.960	50	40	GJGB	
CC(C)(C)c1cc(Br)cc(/C=N/NC(=O)Nc2ccccc2)c1O	865486	URWUJJQQDOWOOX-RGVLZGJSSA-N	390.281	4.608	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccccc3C)cc1)C2	3093616	BXRZNKUUGTVKKN-VULFUBBASA-N	383.495	4.896	50	40	GJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4551409	MJMBZHSEBAJUJE-IZZDOVSWSA-N	395.724	4.813	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	97674214	DEKTXBNKTDSOIT-FMNVXAMXSA-N	394.496	4.595	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCC	408541244	FNAKFYUZKAECSK-MOSHPQCFSA-N	377.440	4.975	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)c1	408587478	GHTBCGCBULDCPX-ZVHZXABRSA-N	379.891	4.749	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408755905	SGVGFBKHMBBXHS-VBKFSLOCSA-N	398.304	4.841	50	40	GJGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796449	PBLSTGCZJQNMFV-SDNWHVSQSA-N	391.408	4.885	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Cl	409053977	PGKKQKQHTDZUFO-LSHDLFTRSA-N	395.673	4.731	50	40	GJGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1ccccc1	409111730	DSPKWRBQAQNQCY-STZFKDTASA-N	377.425	4.510	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1	4922543	QKOQFRHHYSKPRV-LJQANCHMSA-N	375.497	4.523	50	40	GJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1	8811012	YNFRROLLLLMNIG-FSJBWODESA-N	398.846	4.690	50	40	GJGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	100639935	GDKYLNZTVATOFO-XYOKQWHBSA-N	383.379	4.794	50	40	GJGB	
CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	101334770	WWBIPDDHWJIJKW-VCHYOVAHSA-N	394.858	4.848	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(O)cc1	408940085	UCMPQDAIWUILAU-PDGQHHTCSA-N	388.398	4.656	50	40	GJGB	
O=C(N/N=C\c1cccc(OCc2ccc(F)cc2)c1)c1cc2ccccc2o1	408950667	UCIQOUQNPHYYOW-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	813609	GDKYLNZTVATOFO-WQLSENKSSA-N	383.379	4.794	50	40	GJGB	
CCC(=O)Nc1ccc2c(c1)Cc1cc(N(CCCl)CCCl)ccc1-2	1730718	WPDLVMPSLLWWLY-UHFFFAOYSA-N	377.315	4.890	50	40	GJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	2384928	MKHWEFUUXNNABW-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1Br	2866036	OWYSVQDXPXBHEU-OQLLNIDSSA-N	385.217	4.986	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	14134895	AWGONFNOGCMALE-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1	34697130	VTZZJFDOHQNXNC-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	40961774	FIJKUZKHUVJTNE-BUVRLJJBSA-N	390.508	4.816	50	40	GJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	408742287	QNJCKAPEASOTQL-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408790860	RPRKDBSRPMMSDD-NTUHNPAUSA-N	391.254	4.946	50	40	GJGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccccc1OC(F)F	3304342	HHISRNZNVIRFPF-MDWZMJQESA-N	392.789	4.804	50	40	GJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1	4677814	PXLRXQPXQRHEAD-CXHGCJEXSA-N	385.254	4.813	50	40	GJGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	32799185	KSDDHDNSCZQLJP-RVDMUPIBSA-N	385.261	4.784	50	40	GJGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	408581599	JJGYBTLTEIVCEE-XDJHFCHBSA-N	391.448	4.527	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C	408692725	SZXHILLYDHZVRR-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(C)cc1	408720078	ROSYWFFFJNYJDI-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O	2846710	PEGMZBLBRSXZCB-VGOFMYFVSA-N	392.238	4.920	50	40	GJGB	
CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1	4677995	LWZQJKFBEJGFHY-BUVRLJJBSA-N	394.450	4.549	50	40	GJGB	
CCOC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	5796357	ZIEOYMSOBINJPR-JJFYIABZSA-N	394.258	4.716	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	408719715	KPFURHOXZZYEQF-CIAFOILYSA-N	376.909	4.512	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br	409226975	WTZNURVGUVZCKN-LPYMAVHISA-N	381.273	4.604	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1	3235462	LECWPYHIZYWZAQ-WYMPLXKRSA-N	378.394	4.532	50	40	GJGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	6254684	SHKDIEKSESLDSO-CFRMEGHHSA-N	395.846	4.648	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	6962031	JZNODOLTOYGZGK-WQRHYEAKSA-N	388.383	4.975	50	40	GJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	14152151	LYPCFNBMHNCGFI-LFIBNONCSA-N	391.496	4.831	50	40	GJGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(Oc2ccccc2)cc1	20243962	JXBHNHWDVGWVRH-HZHRSRAPSA-N	376.481	4.862	50	40	GJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)c2sccc2C)cc1OC	44028457	LZUZCAKMUBUWHK-WUXMJOGZSA-N	392.274	4.626	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	59334094	SMYGKYZEJNIILI-NVNXTCNLSA-N	375.255	4.568	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)cc1	98067969	UVZZRBCXKVGVDO-AQTBWJFISA-N	386.407	4.587	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1	408794609	JPXDTBRAGZBMIJ-XNTDXEJSSA-N	392.798	4.844	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1cccs1	781417	PKICFVGDDJCZMB-LDADJPATSA-N	392.455	4.690	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1Br	9553409	XYZPSFYFQIAZPW-RVDMUPIBSA-N	391.309	4.594	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)c1ccccc1	28216646	AMSMRXBAOCHEND-GQBLCDNYSA-N	395.890	4.585	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1-c1cccc([N+](=O)[O-])c1	32909026	MVOIDQDXOJLCFG-LDADJPATSA-N	397.438	4.953	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl	408852210	DJLYFEGZOYUOBM-DHDCSXOGSA-N	375.255	4.568	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	887374	CRTHZJNRNPASQR-WOJGMQOQSA-N	389.480	4.597	50	40	GJGB	
N#CC(Nc1cc(C(F)(F)F)ccc1Cl)=C1C(=O)c2ccccc2C1=O	958644	ROHBFFDZPUPRFS-UHFFFAOYSA-N	376.721	4.628	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1	6672719	WTXWWGPTSVVHMO-YDZHTSKRSA-N	396.830	4.541	50	40	GJGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	13766048	PBABYNRGQWWYLM-LGMDPLHJSA-N	379.416	4.709	50	40	GJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)cc1	20243821	CUQPCWVBYCMPIZ-SRZZPIQSSA-N	390.325	4.661	50	40	GJGB	
CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	98000449	XXVMMJAPYCWLAA-UHFFFAOYSA-N	388.895	4.764	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C	100509253	NBMNJCTZLQTRRM-BOPFTXTBSA-N	392.484	4.604	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)Cc3ccccc3)cc2[C@H](C)CC1(C)C	208322547	GABJBHSUUBDPTR-OAKZWBAKSA-N	377.532	4.800	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12	9202524	YKSHLFYJNGSCSO-JFLMPSFJSA-N	392.462	4.634	50	40	GJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)c1ccc(Br)cc1	408580212	NBMDDVYLGGBWOB-NTUHNPAUSA-N	392.636	4.630	50	40	GJGB	
CCc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1	5826994	SCIYHTGDUBYFGR-KWWJGWKXSA-N	375.497	4.736	50	40	GJGB	
CCc1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1	226328426	CUSSBYBLSATONX-UHFFFAOYSA-N	393.668	4.997	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2cccc(C)c2C)o1	408961857	OROIENKYMBHUGM-FMCGGJTJSA-N	391.427	4.726	50	40	GJGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(Cl)cc3)c2C)c1	409191791	NJOWTWWDXWFOGL-QRVIBDJDSA-N	381.863	4.520	50	40	GJGB	
CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccc(Cl)c(C)c1	4547142	HJENIDAOPUSXQP-WSDLNYQXSA-N	395.286	4.620	50	40	GJGB	
O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(F)cc1	4814035	OIHWZJNCTYPNGF-CFRMEGHHSA-N	382.822	4.539	50	40	GJGB	
Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)cc1	4837154	HKSXQSDWQMXFHP-QGZVFWFLSA-N	391.696	4.674	50	40	GJGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F	5570636	GHQFKHWWWGPLFJ-ATVHPVEESA-N	389.386	4.931	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccccn1	5906022	WRCZKKMMYORDFS-YSURURNPSA-N	393.752	4.778	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OC(=O)c1ccc(F)cc1	8207290	WPTBRJAPLKLSIY-CXUHLZMHSA-N	394.427	4.883	50	40	GJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	59513543	PEZFAEUISRQRIQ-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
C[C@@H](Sc1nc2ccccc2n1C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	101872818	VUCXKTMZGDWWJH-ORVAQUOPSA-N	392.509	4.576	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC	207828993	YOGRMOOSEFMAHV-AYCSXLNKSA-N	384.863	4.532	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(Cl)c2Cl)c1	3102470	OZLMVOWHEWBFPN-LSHDLFTRSA-N	379.287	4.954	50	40	GJGB	
C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1Br	3174483	CHTFCHVMBWDJBS-KOUDTOEKSA-N	397.272	4.520	50	40	GJGB	
CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(C)=O)cc1OC	4600127	OZJOAOCIACIVMW-MXJLDLDKSA-N	398.503	4.527	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C	1207477	PGHSMNHUSPWFKH-DEDYPNTBSA-N	399.450	4.646	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1	4190739	KXUSQCFFGLQWAM-CQYHXDBZSA-N	383.319	4.907	50	40	GJGB	
Br[C@@H]1[C@@H](S[C@@H]2[C@H]3CC[C@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100696906	SSHGJJMUKDEIMS-KAYBPYGBSA-N	380.189	4.844	50	40	GJGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1	408810090	IIGCBMMIGLMLDE-KAMYIIQDSA-N	390.370	4.638	50	40	GJGB	
COc1cccc(CC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	409020676	RZIQEMHAKMULPZ-MYYYXRDXSA-N	396.531	4.689	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=S)N1	409371466	JVMUNGQBXCRQDD-IBGZPJMESA-N	395.503	4.747	50	40	GJGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	30817677	IUEAZCHTHYOGAG-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCCC2)cc1C	100383407	WXNHQGRRTGKEFL-NDENLUEZSA-N	395.510	4.994	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Cl)cc1OC	409379820	ZVOUJPUGNWQWQS-JHAVZTMOSA-N	395.286	4.943	50	40	GJGB	
O=C1O[C@](Br)([C@H](Br)c2ccccc2)c2ccccc21	2323134	CQSCVJFNAOEPKT-HIFRSBDPSA-N	382.051	4.541	50	40	GJGB	
O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1	4932050	WYPDBGPPRCSYIH-INIZCTEOSA-N	395.659	4.505	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1C	6044792	WVMZKYSICXUONI-MOSHPQCFSA-N	385.467	4.962	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C#N)cc2)o1	6735998	KOCAIPZZZJMENE-CVKSISIWSA-N	395.418	4.744	50	40	GJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2c(Cl)[nH]c3ccccc23)cc1	13838022	WJPXCBABKQNQLH-IIHGDPFSSA-N	383.879	4.864	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(C)cc2)C3)cc1	408733733	PGJWGXDOHTWSEJ-YSMPRRRNSA-N	399.494	4.678	50	40	GJGB	
N#C/C(=C\c1ccc(Br)s1)S(=O)(=O)c1ccc(Cl)cc1	3588607	URBPRCCWQULWRZ-KPKJPENVSA-N	388.695	4.502	50	40	GJGB	
COc1ccc2cc(/C=N/NC(=O)CCSc3ccccc3)c(Cl)nc2c1	4502869	WYAIDROWZXWNDI-LPYMAVHISA-N	399.903	4.529	50	40	GJGB	
O=c1c(-c2ccc(Cl)cc2)coc2cc(OCCBr)ccc12	6764440	YCFPFUGHPZYRCJ-UHFFFAOYSA-N	379.637	4.887	50	40	GJGB	
CC(C)[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1	20133336	RPKITFLLUVINPN-VIFPVBQESA-N	382.110	4.961	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(F)cc2)c1C	33567021	HUXZMVPSNYJFNJ-OYKKKHCWSA-N	378.451	4.951	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	408532167	PVMSDAKMABAPOI-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1	1106593	CRUOOKQKTRIEAX-BHGWPJFGSA-N	376.309	4.868	50	40	GJGB	
C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21	409254459	DJSWAKIWUXJMSB-YZSQISJMSA-N	385.511	4.573	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1	2305812	NDMFIGJIFIOCKP-XSFVSMFZSA-N	398.418	4.509	50	40	GJGB	
CCOC(=O)/C(C#N)=C\C=C(/Sc1nc(C)cc(C)n1)c1ccc(Cl)cc1	5795442	LWXJYVWXIPCKFQ-FEFSCXBMSA-N	399.903	4.893	50	40	GJGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	16954786	PCXSRFMHQKUGAB-FOWTUZBSSA-N	391.452	4.582	50	40	GJGB	
O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@H](Br)N=N1	100930492	AOSRCNTXJBXSEJ-IFXJQAMLSA-N	381.229	4.536	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(F)c3)cc2C(C)=CC1(C)C	208516809	HGLLDUQINPOKBC-AFUMVMLFSA-N	379.479	4.920	50	40	GJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	408743344	VSADKCFVKPBIKS-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409229669	SQQQUXZILAMJEA-NKFKGCMQSA-N	387.527	4.641	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccccc1	1073686	XCZZEZJUMRMVNF-JLTOFOAXSA-N	376.843	4.548	50	40	GJGB	
O=C(N/N=C/c1ccncc1)c1ccc(CSc2ccc(Cl)cc2)cc1	2657783	KKRFJCOLFPPNCX-YDZHTSKRSA-N	381.888	4.791	50	40	GJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)c(Cl)c1	3235814	AIOWTRLPFAUVTK-LIMNOBDPSA-N	390.192	4.574	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(SC#N)c1C	4088287	UCWOWAMKRSFFAN-UHFFFAOYSA-N	386.907	4.774	50	40	GJGB	
CC(=O)Nc1sc(/C(C#N)=C/c2cccc(O)c2)nc1-c1ccc(C)cc1	4318509	PNLLDJAFCZQTED-LICLKQGHSA-N	375.453	4.847	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1	5370355	WBRVRJCSLICUCY-DJKKODMXSA-N	386.076	4.910	50	40	GJGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	6615067	CCVLRJWOWMCZIP-UHFFFAOYSA-N	384.307	4.640	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OC(C)C	408801862	WCNSKDUFKIEFJT-MHWRWJLKSA-N	384.863	4.990	50	40	GJGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408803214	MNPOCEGGTWFXBR-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1	409085049	YQPSBHPTTSZIQH-YSMPRRRNSA-N	388.511	4.932	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@@H](C2CCCCC2)C(C#N)=C(N)O3)cc1	804041	HQLCKBSCTRYEFW-SFHVURJKSA-N	380.517	4.761	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccncc1	1300719	YFZGGQBBVYHSRO-DHRITJCHSA-N	388.858	4.502	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC	1780912	YPFXSARWMUFONW-HMMYKYKNSA-N	399.512	4.993	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl	2586718	CIRIXZNSUUUNJV-KRWDZBQOSA-N	398.249	4.826	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc2c(c1)Nc1ccccc1S2	5659545	ADFBGCZUZKLTKQ-YDZHTSKRSA-N	375.453	4.754	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc(C#N)c2)c2ccccc12	9202529	ANMDXLSPWNYIGF-JFLMPSFJSA-N	392.462	4.634	50	40	GJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	20100857	FAQYXSIAMBIJOQ-YDZHTSKRSA-N	398.846	4.528	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	59473467	XALHMCWVIRNNSF-OMBDHMDGSA-N	376.909	4.758	50	40	GJGB	
CCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c2ncccc12	103745674	KPKTZRQSDDCVKR-CIAFOILYSA-N	392.297	4.514	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C)nn2-c2ccccc2)cc1	408724149	GMTYCSBDUGZMGL-YZSQISJMSA-N	394.478	4.920	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1C	4690425	RVPHTUDKLPIZIG-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br	4702493	GNHJRPUVGICHLO-CIAFOILYSA-N	389.293	4.519	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCCC(C)C	5129707	WBUUXDHVNGPTKI-SFQUDFHCSA-N	382.435	4.805	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1O	59302738	FSGFIGOVSCOEDD-UNOMPAQXSA-N	376.456	4.682	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OC)c3ccccc23)c(C)c1	408910867	LWWFBLMUPDJEJK-PCLIKHOPSA-N	390.483	4.638	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1	408999120	WKMJPNAHOKBEOF-CNRHGSOZSA-N	391.924	4.554	50	40	GJGB	
CCc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)nc1	904030	VSBVMVLWQUIBEN-FOKLQQMPSA-N	388.254	4.975	50	40	GJGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CCC3)cc1	1436383	WAYJTFBYEUVRNW-QHCPKHFHSA-N	399.494	4.562	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccccc1	2427226	QPIXCAWNPANWIQ-GXDHUFHOSA-N	392.798	4.844	50	40	GJGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1F	100843688	KBDZTRXZDUXPOZ-NTEUORMPSA-N	379.416	4.963	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	13586117	VARRCVMAIJTACO-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	59334105	NIUIMWNUMPUADE-AUWJEWJLSA-N	393.245	4.707	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccccn1	409024080	UJGQBXOQTDLUNX-MSXFZWOLSA-N	392.846	4.653	50	40	GJGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1cc(Br)cs1	3170931	LVPZWRCUIUFONO-QGZVFWFLSA-N	393.242	4.516	50	40	GJGB	
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1CC(C)C	4613402	OGSWXVZVYRKBJK-QGZVFWFLSA-N	386.492	4.605	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2C1	4922591	MULNWPCTITVYGE-LJQANCHMSA-N	389.524	4.777	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	59517318	ARZAGLLXTZELPQ-CIAFOILYSA-N	386.860	4.857	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)Cn1cnc2ccccc21	408691845	UEKBQFRBDVNVOX-GDNBJRDFSA-N	394.272	4.971	50	40	GJGB	
COC(=O)/C=C/c1ccc(SSc2ccc(/C=C/C(=O)OC)cc2)cc1	2389565	QYHBBSNMUBIDTK-FNCQTZNRSA-N	386.494	4.858	50	40	GJGB	in-vitro
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(N)=O)cc1	2848089	AWNWEGMAGNDOEC-XDHOZWIPSA-N	375.859	4.911	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)c1	16960581	LAEUCVDQQZIQHR-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC	33634234	YXJRMLPQSZTYBV-FBKCMUNRSA-N	390.911	4.882	50	40	GJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)c1	33733409	BLMXGJWYDDVVJA-FSJBWODESA-N	398.846	4.690	50	40	GJGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	33887022	GXJOQSCRIISCEI-LICLKQGHSA-N	376.437	4.669	50	40	GJGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1OC	34853485	JGQUOVZPWAUBOY-OVCLIPMQSA-N	392.436	4.620	50	40	GJGB	
O=C(Cl)c1ccc2nc(-c3ccc(I)cc3)sc2c1	73740449	BPUZPSSVMJJFAD-UHFFFAOYSA-N	399.640	4.947	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cccc(C(C)=O)c3)n2)c1	100860108	SNILHNIRQPBBDC-SFQUDFHCSA-N	375.453	4.998	50	40	GJGB	
O[C@@H](CCl)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31	239302843	FQHLSJGZUNDOTA-PGRDOPGGSA-N	386.967	4.982	50	40	GJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12	408803531	QDMWAMXKOKBBBK-HUCUOGIVSA-N	389.474	4.959	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408814889	SMNXHZHCTRSWFN-KNTRCKAVSA-N	396.446	4.796	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1[N+](=O)[O-]	408852954	XMEZBACPKHFSMM-UUYOSTAYSA-N	389.367	4.673	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Cl)c1	409187170	MZLJQGWJPYDIKD-SRZZPIQSSA-N	396.859	4.724	50	40	GJGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)c1	409360213	DIYLITTUNNBXLX-OYKKKHCWSA-N	382.504	4.571	50	40	GJGB	
CC(/C=N/NC(=O)c1cc(-c2ccc(OC(C)C)cc2)n[nH]1)=C\c1ccccc1	4136034	JWBOMHMSKGZQKV-BRMJMBBHSA-N	388.471	4.683	50	40	GJGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccccc1F	5570623	OPKUFGWWUCNJRO-GXDHUFHOSA-N	379.347	4.524	50	40	GJGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	6683545	DGCSYMSISAZLMF-JYRVWZFOSA-N	392.789	4.804	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C(F)(F)F	59473061	ZURWMHNDKFHLRB-ZOCVZFIWSA-N	386.826	4.990	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)SCCS1	409256433	LEMHSLJVDCPOPE-KGENOOAVSA-N	388.558	4.665	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCc2ccc(C)cc2)c1	2077286	OVTLUVVPCICMFA-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
Cc1cccn2c(=O)c(C=C(C#N)C#N)c(Oc3ccc(Cl)cc3Cl)nc12	2390439	XAJMDTYLYPUBHK-UHFFFAOYSA-N	397.221	4.533	50	40	GJGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1cccs1	4700526	JXOOWBHYYIPNNQ-QJOMJCCJSA-N	391.496	4.733	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	6235809	PCWGYZMYHDQMQZ-WJDWOHSUSA-N	383.854	4.933	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1	6441579	OCSIHPVXUPPVEA-DHDCSXOGSA-N	393.424	4.800	50	40	GJGB	aggregator
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	6571356	VZDFOECKGHTWHK-YBEGLDIGSA-N	383.854	4.933	50	40	GJGB	
Cc1c(-c2nc3cc(Cl)ccc3o2)cccc1N1C[C@H](C(=O)Cl)CC1=O	45887227	YKIFBVUXUJLLOI-LLVKDONJSA-N	389.238	4.575	50	40	GJGB	
C[C@H](Sc1nc2ccccc2n1C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	101872815	VUCXKTMZGDWWJH-XLCLWTIASA-N	392.509	4.576	50	40	GJGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2275503	GRZLUQLFOVMYEU-GOSISDBHSA-N	397.265	4.706	50	40	GJGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1	4922833	NUXFGJCNBGJLJL-LJQANCHMSA-N	393.487	4.608	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OC(C)C	59292106	ZMTOZPXOFWDYOX-CPNJWEJPSA-N	378.472	4.981	50	40	GJGB	
CCCO[C@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@@H](C)C1	225662319	WCGUGFSLHVGIIA-DNVCBOLYSA-N	398.341	4.774	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1	409230948	HDSHVMIPAQZWSE-GRRFOWRYSA-N	394.272	4.715	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)c1	1247857	WWPVDRRYWSJNIK-NTCAYCPXSA-N	391.452	4.566	50	40	GJGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)cs1	1826610	WWWIWJUARZEPHY-SDNWHVSQSA-N	379.416	4.697	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1	2020935	KQCCEMDYOQWESW-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)ccc21	2657746	JVXXPWMXVIFSEL-ZMOGYAJESA-N	390.418	4.528	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1	3167165	OOKFLSNBUOVBDV-LSHDLFTRSA-N	379.287	4.954	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4966250	ZLICEGBLSTVPFI-RMKNXTFCSA-N	380.162	4.586	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1OC(C)C	40139898	WRLRIMDMLFGDSL-OQLLNIDSSA-N	378.403	4.893	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1	58927149	QNVMWTUQVGIDDO-JKJLQIMHSA-N	389.499	4.549	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	408588865	KFRPJEXIXWLFGC-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1	408729964	LWGZEAKJGZALRY-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	408765794	YCCKEMRWHZBQAV-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)cc1	408964303	CTDOSZSCIKZYCL-FSJBWODESA-N	379.416	4.514	50	40	GJGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccccc1C(F)(F)F	2738920	JZPLJXFTXQWTBB-WYMPLXKRSA-N	398.812	4.977	50	40	GJGB	
COC(=O)N/N=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12	4091881	TXNYPNPAGWFPHW-BUVRLJJBSA-N	393.487	4.708	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1Br	6222239	VRCPMKXLAYLPIL-YBFXNURJSA-N	397.725	4.735	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC	6537731	RPCMCKVWHHFTEZ-UKTHLTGXSA-N	391.254	4.946	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	408591553	UVKVDGGUEYOVSQ-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59297425	KNUZLTRZUNMEKF-RMKNXTFCSA-N	380.162	4.586	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1	408746937	IBVJCIGELPSRNO-JCMHNJIXSA-N	399.494	4.716	50	40	GJGB	
COc1ccc(CC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1	409240609	LLIAVNSWKNAHPR-JLPGSUDCSA-N	390.508	4.848	50	40	GJGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	6543575	HBXZXWJJBGYQES-XDJHFCHBSA-N	392.455	4.890	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208200295	CJZXHMJZZRFPDX-PSHHWHLWSA-N	399.922	4.591	50	40	GJGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c(O)ccc2ccccc12	1092177	AEOCENWBTYXONZ-JZCUADNKSA-N	383.451	4.649	50	40	GJGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cccc(Cl)c1Cl	3088069	GYJCXZUYRHHRHJ-LSHDLFTRSA-N	379.287	4.954	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@H](Cl)c2ccccc2)sc2c1CC[C@H](C)C2	3269741	RWMLPPCAXGMLNT-YVEFUNNKSA-N	391.920	4.968	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccccc1Cl	4106977	HDHADXCEXCYSGU-BRJLIKDPSA-N	394.837	4.522	50	40	GJGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1	6222691	YJGWENVGFFKAGL-CPNJWEJPSA-N	398.374	4.604	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)c1C	408744675	GLVMVJFPZIYKFL-SSZFMOIBSA-N	386.407	4.587	50	40	GJGB	
O=C(c1ccc([C@H]2CC2(Cl)Cl)cc1)C(Br)Br	1441558	PBAZSVXTCKDVGW-MRVPVSSYSA-N	386.898	4.646	50	40	GJGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cs1	96130163	RCZUGCPPJHZJGS-YRNVUSSQSA-N	394.283	4.613	50	40	GJGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	96476418	WVEJMVAPTYLSJR-BOPFTXTBSA-N	394.858	4.605	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408527471	FWGPQJUQKNLENR-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C	408588161	IDJMLBFJFDJDIZ-ZVHZXABRSA-N	379.891	4.749	50	40	GJGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OCC	409122701	AZSHGJCKFOWLGM-HAFIMRKLSA-N	398.528	4.589	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1C	409250807	YFNYVPLDMBJKAH-ZROIWOOFSA-N	390.361	4.577	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)o2)cc1	409378517	PNDKINZTTATYAB-QINSGFPZSA-N	376.437	4.991	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	59432743	MHMSPMRIWVNNQT-RVDMUPIBSA-N	383.245	4.560	50	40	GJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)c1	107657095	REPDAYOMYZTDHC-UNOMPAQXSA-N	377.463	4.897	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)cc1C	408808857	GPTGLRQEVZBGEM-LFVJCYFKSA-N	397.522	4.977	50	40	GJGB	
N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl	408831011	ZEVANDVLQKIXOA-GHXNOFRVSA-N	390.201	4.581	50	40	GJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c1C	3302792	UESQLDSUIFBNDZ-OQLLNIDSSA-N	390.892	4.563	50	40	GJGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3ccccc3O)c2)cc1C	4827629	XZSVULCGYHRXQI-JLUADYMRSA-N	388.427	4.894	50	40	GJGB	
Cc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N	4922639	ZCBYJXUTKBYQGC-SFHVURJKSA-N	395.915	4.868	50	40	GJGB	
COc1cc(OC)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	33609491	SQWBNCIXJIFLOT-QPEQYQDCSA-N	398.260	4.715	50	40	GJGB	
O=C(CCSc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	59473390	FARNDAILDKOETE-JJIBRWJFSA-N	390.508	4.898	50	40	GJGB	
FC(F)(F)C(F)(F)C(F)(F)[C@@H]1CCCC[C@@H]1I	63148512	OPDPCHBOZHWKOZ-RITPCOANSA-N	378.069	4.813	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	2735737	NNWNZHRXMHOJCC-DTQAZKPQSA-N	398.304	4.841	50	40	GJGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1	4631537	FZPGNLQMUICBHV-QKMWGZLOSA-N	392.453	4.831	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OC)cc3OC)n2)c1	6451239	GTLBSRVARQQRRB-SXGWCWSVSA-N	378.453	4.900	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21	208203904	XLWUUUPWEHQEJE-GMJSKMFWSA-N	399.922	4.591	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC	408803693	SFAGZJRIWNLPIH-LFIBNONCSA-N	382.847	4.768	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1cccs1	781421	YZBMIOZWFSFBNY-LDADJPATSA-N	392.455	4.690	50	40	GJGB	
COc1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1OC	4515201	UCAYLODKFOLIEL-WGOQTCKBSA-N	398.462	4.703	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	4702495	HYFAEEPYKDPHBO-OEAKJJBVSA-N	391.427	4.916	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C	32127822	UFDQTIVEYICGEQ-DEDYPNTBSA-N	385.467	4.962	50	40	GJGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(F)c3)c3ccccc32)c1	408991702	OWWONLIIVYDWKA-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
COc1ccccc1/C=C\C=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1	5800217	KSGTZFBNEGAFHO-XOPNZOLISA-N	396.450	4.668	50	40	GJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	6297630	ZXEZRAWYLWGWCQ-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(F)c2)c1C	59104824	ZHPMOHNAJACVGD-AFUMVMLFSA-N	377.463	4.868	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC	409075485	WEBJXKIXOVYAKR-LFIBNONCSA-N	382.847	4.631	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N\NC(=O)Cc3cc(C)ccc3C)c2)cc1	409359928	CMNXTJDHIQJTKN-QQXSKIMKSA-N	386.495	4.884	50	40	GJGB	
O=C(NN=C1CCCCC1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1065557	IQGGAJUGRSSLKJ-UHFFFAOYSA-N	391.298	4.666	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1	409158189	SFUFOTUVMHKFFJ-BUVRLJJBSA-N	377.488	4.704	50	40	GJGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1	409321748	HKDCICXIKZKHQM-INIZCTEOSA-N	384.888	4.621	50	40	GJGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1	897453	JVHYANQOASFADB-QHCPKHFHSA-N	392.462	4.861	50	40	GJGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	4263919	FNZGORHAWQRVGG-CXUHLZMHSA-N	391.408	4.569	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1	4922663	ODFQWMDNUJVNQE-LJQANCHMSA-N	393.487	4.608	50	40	GJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CCc2ccccc2)o1	408590910	RKCFROVGVOSNBC-PCLIKHOPSA-N	398.466	4.524	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408793538	PJPPWZDRGFPWFE-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1C	4309924	QUJSPYQZPOKSAM-LICLKQGHSA-N	382.876	4.940	50	40	GJGB	
O=C(Nc1ccccc1)N(C1=NC[C@@H](CBr)S1)c1ccccc1	5774452	PCRJWAMHWUKLRW-OAHLLOKOSA-N	390.306	4.591	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1	6367788	WJYKCKHWIRLWSJ-YZSQISJMSA-N	396.494	4.957	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2	19171421	BYJLSRVRRLVAKN-UHFFFAOYSA-N	387.650	4.565	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O	23358627	RLENLDCTMMOWSF-QPEQYQDCSA-N	389.205	4.526	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1F	28216447	SNOXMVKVWHYJSS-ZZQPOVDQSA-N	395.503	4.864	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(F)cc1	408767828	PIJOOGGSXFEIGI-MOSHPQCFSA-N	378.447	4.565	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCC2)c(F)c1	409089560	OAKZWDZYYNHZDZ-WJDWOHSUSA-N	383.854	4.933	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(C)C)cc3)cc2c1	409186530	DIDATSWRJQIQNH-QRVIBDJDSA-N	380.444	4.630	50	40	GJGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409211972	OYHBKUPOTORGRY-FSJBWODESA-N	395.871	4.714	50	40	GJGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1C(F)(F)F	2097121	LZLNSMBLKRVZED-AZRQGOPLSA-N	386.373	4.776	50	40	GJGB	
CCOc1ccc(N[C@@H](CC)C(=O)N/N=C/c2ccc3ccccc3c2)cc1	2098720	HSSJQLSPVOYDHB-OLCUMFGGSA-N	375.472	4.579	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl	2372621	HMYOEAGBLCRZKX-XAOCGEIJSA-N	397.305	5.000	50	40	GJGB	
O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1Br	4603989	YVCCOTWNFFVOCE-UHFFFAOYSA-N	395.300	4.796	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OC	408580603	CZYQRTVAVKBPTF-OQLLNIDSSA-N	388.261	4.929	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)cc1	408744884	NVPSYOJYJBXSGZ-HMAPJEAMSA-N	393.446	4.991	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	409219580	OHCRQJDLYPNZAB-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	59104523	XOAMOPUFJDEASS-WSDLNYQXSA-N	388.254	4.557	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1	59384103	HORRLYWWAHXPHO-BUVRLJJBSA-N	394.858	4.779	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	409100996	OEUWXGNPUKFXLP-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
C[C@H]1CCC/C(=N\NC(=O)COc2ccc3ccccc3c2Br)C1	4523815	LBRKVMMOSUJSBZ-SYPKWCCASA-N	389.293	4.663	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)o1	4616859	PLAGKTGTYQXVOZ-DTQAZKPQSA-N	386.407	4.587	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	7164437	AUWUABIEIYUWOQ-LICLKQGHSA-N	394.858	4.523	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1	28216206	RWJXKYAWHGVYEI-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1	408832605	RRCPLZSHBDAYBO-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3F)cc2)NC(=S)N1	409369256	JGUSDWFEUXMKQM-IBGZPJMESA-N	395.503	4.747	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1C	409376593	ZWXRAJZCZFGTJB-MOSHPQCFSA-N	385.467	4.962	50	40	GJGB	
CC(C)n1cnc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2c1=O	96113846	AAKCQMSDLBVMGJ-HNNXBMFYSA-N	391.562	4.630	50	40	GJGB	biogenic
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1ccccc1Cl	657471	DWMSZYZXRKOEDI-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	2353489	JBBGRGXOXJLYBE-HYARGMPZSA-N	397.500	4.639	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)c(SC#N)c1C	7613744	PFSHWOMZZUMNJP-UHFFFAOYSA-N	386.454	4.805	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(C)c1	23382650	XUIBCKXZHQBYEF-DEDYPNTBSA-N	390.483	4.548	50	40	GJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1	59435276	OPLZTMHADBCOOV-YDZHTSKRSA-N	396.830	4.541	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	207058669	XROSKWWEWXZLCA-LFIBNONCSA-N	399.288	4.956	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(OC)cc3)cc2[C@H](C)CC1(C)C	208320988	WERVSKGJWWPCFS-SCELWYEFSA-N	393.531	4.880	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCCC1	409373002	UYTWCWJCBDBIKF-QGOAFFKASA-N	389.886	4.872	50	40	GJGB	
CCOc1ccc(/C(Cl)=C(\C=O)c2ccc(OC)c(OC)c2)cc1OCC	1632224	CDZCOLUKLVIYQS-PGMHBOJBSA-N	390.863	4.807	50	40	GJGB	
C=CCN1C(c2ccc(F)cc2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2	3180705	RIMBZGSHVDQTIC-FXBPSFAMSA-N	393.491	4.569	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc([N+](=O)[O-])c1	4738872	OGQPEKXFCJXOQE-GZTJUZNOSA-N	383.411	4.943	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(Cl)c1	4815527	ZLYGDDPCVRBCGL-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1	28216637	LTUNEPZIBSVTAM-JKJLQIMHSA-N	389.499	4.549	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl	4544623	OLKOHGOUHBLGOR-AUEPDCJTSA-N	384.785	4.910	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2ccccc2)cc1	5484091	MMQAFUGSJUXZOE-OAQYLSRUSA-N	390.446	4.962	50	40	GJGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	28215820	LZQHHCRHQNXXSB-ZVHZXABRSA-N	391.540	4.786	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(Cl)c1O	40139920	FRAAUZQEQSJLKM-LFYBBSHMSA-N	384.794	4.855	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59678505	AMROVXVSITVJTB-AWQFTUOYSA-N	386.407	4.555	50	40	GJGB	
COc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)ccc1C(C)C	245241578	JNMVXFAPQWPJRK-UHFFFAOYSA-N	390.483	4.809	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)NC(=O)N1	409367457	AFMJAZFBTSEZSM-IBGZPJMESA-N	379.435	4.582	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccco1	5740953	MUYAXVHSTNQWCF-FSJBWODESA-N	377.831	4.700	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	12968485	WKTHBAJQCDTJJN-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)cc2)cc1	408568296	SMBWJDXXTUGEOZ-WGOQTCKBSA-N	386.495	4.884	50	40	GJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408878004	ZZJJRXMWAMAWKA-LFYBBSHMSA-N	380.753	4.913	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1O[C@H](C)C(=O)O	409234070	YOUXPRPGXDVMHY-JYVXZMADSA-N	392.238	4.918	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	409236772	HERKVGPYTNWJDM-ATVHPVEESA-N	395.890	4.885	50	40	GJGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSc2ccccc2)cc1	3039874	VYNYRXJLAPXQGI-XQNSMLJCSA-N	375.497	4.697	50	40	GJGB	
CCCCCCc1ccc(OCCOc2cccc(/C=N/NC(C)=O)c2)cc1	4673358	HKQIDJDTBHPAFN-HKOYGPOVSA-N	382.504	4.737	50	40	GJGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)Sc1nc2ccccc2s1	6380440	UWZLSPRRZZHOHQ-GHXNOFRVSA-N	399.453	4.878	50	40	GJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1	30822646	SUZUSHJDPSRIHZ-GJQHCVRFSA-N	381.520	4.575	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	33339774	JJPZNXAJLKMRRO-WQLSENKSSA-N	391.652	4.657	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccccc1Cl	59245237	WCFYSRKSBKYPNW-WQRHYEAKSA-N	398.890	4.749	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	409066848	MPINXFMNUGDLGC-CPNJWEJPSA-N	376.412	4.961	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1)c1ccccc1	409248755	INDHEZYNFPIORV-IYWFSZBXSA-N	375.859	4.915	50	40	GJGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1	781378	MBWFUYNQIJHPJS-UYRXBGFRSA-N	381.435	4.506	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	1245041	HJRQRNHNAUWGAL-CVKSISIWSA-N	397.478	4.527	50	40	GJGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2801919	HPMLLNQUVMZWJI-IZZDOVSWSA-N	395.724	4.813	50	40	GJGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	3314531	YNVXZZUXMMSWDL-JJIBRWJFSA-N	395.506	4.936	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccco1	4865160	VEWSBGBDZZOCGE-ZVHZXABRSA-N	390.468	4.602	50	40	GJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	5670050	WZHPNUVQJYWBBZ-MFKUBSTISA-N	384.435	4.774	50	40	GJGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	59266509	KUVQYBXZBCNMOA-RIYZIHGNSA-N	385.807	4.581	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2	96438814	GIGSMBDCQHIWDC-ZHZULCJRSA-N	382.419	4.670	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21	208200936	IRIMROLPDPQDIY-PSHHWHLWSA-N	399.922	4.591	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)Cc3ccccc3)cc2[C@@H](C)CC1(C)C	223574140	GABJBHSUUBDPTR-LEBHPONQSA-N	377.532	4.800	50	40	GJGB	
CCCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCC(C)CC1	225668357	LKEAJTWUYPTPBH-UHFFFAOYSA-N	398.341	4.774	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1OCc1ccc(F)cc1	408847615	QSHQXBRSMUGWLW-LGJNPRDNSA-N	394.421	4.925	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1	2305945	ULSOCAXQMQGFJC-QGZVFWFLSA-N	398.249	4.826	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1	4937333	PESCUULCUJOBJX-QQXSKIMKSA-N	381.435	4.761	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(C)C	5644215	HCWASSSAPIATNT-UFFVCSGVSA-N	381.259	4.553	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)cc(OCC)c1O	59248275	ZJIJJIWSZMPNQQ-UYRXBGFRSA-N	376.456	4.627	50	40	GJGB	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)n1	59373511	WTUABBWEVRCYQU-UHFFFAOYSA-N	393.299	4.886	50	40	GJGB	
CCCCCCOc1ccc(OCCOc2ccccc2/C=N/NC(C)=O)cc1	4511932	GXTOUHQXBLZDJP-HKOYGPOVSA-N	398.503	4.574	50	40	GJGB	
N#CC1=C(N)OC(c2cccnc2)=C(c2nc3ccccc3o2)[C@H]1c1ccccc1	4513819	DQCRFRWARUCAHW-FQEVSTJZSA-N	392.418	4.599	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	5678054	YNBLSUJRQBYIEU-UKTHLTGXSA-N	375.653	4.957	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	6181415	FKBRLNAVVOKALA-MHWRWJLKSA-N	391.358	4.994	50	40	GJGB	
c1ccc([PH](Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1	104130823	AOJDVEDDLJKGJR-UHFFFAOYSA-N	394.458	4.789	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1	408590183	NZFGZOHHHSZEMH-ZVHZXABRSA-N	384.439	4.513	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)nn2-c2ccccc2C)cc1	408725398	OOAXYVRMWBWUEV-BUVRLJJBSA-N	384.439	4.513	50	40	GJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	3035336	UIJIXIYCFMWDFN-SSDVNMTOSA-N	389.238	4.783	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccncc1	7892808	AZXJHJSIZWCKKX-YSURURNPSA-N	393.752	4.778	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	20197688	CTDOMCJLDDKZSD-MFKUBSTISA-N	393.462	4.786	50	40	GJGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1	33345999	UUHGQOVWQISUID-MTJSOVHGSA-N	383.542	4.836	50	40	GJGB	
Cc1cc(NC(=O)N/N=C\c2cccn2-c2ccccc2)ccc1Br	38202815	CYBIPSXIOPAIFB-BKUYFWCQSA-N	397.276	4.704	50	40	GJGB	
Cc1ccccc1OCCCOc1ccccc1/C=N/NC(=O)c1ccccc1	4672707	ALJFMUYTGSPFGV-XIEYBQDHSA-N	388.467	4.607	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	5588424	ALSAXACYUNPGBW-NDENLUEZSA-N	399.450	4.646	50	40	GJGB	
C/C(=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F	5834795	LMCKPMKNYFSBEB-YZSQISJMSA-N	398.441	4.832	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	7351652	GUDAYWLFHUUKNA-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C2/CC[C@@H]3CCCC[C@@H]3C2)c1Cl	36512046	YFOWJEONDAWTBW-SAQZYJFKSA-N	389.714	4.700	50	40	GJGB	
N#Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1	104139056	NCPOCOXVERZFDO-UHFFFAOYSA-N	379.443	4.785	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408810389	MBYUIVNETNRSTL-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)o1	408960330	DXYOPRQYCUBWPW-JJFYIABZSA-N	397.818	4.762	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC	409240716	HOXQOQXRJYYBPX-GZQZNAIASA-N	398.890	4.922	50	40	GJGB	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)[C@H](Br)CBr	575361323	XCIOLZRFKSKDFB-SSDOTTSWSA-N	394.412	4.700	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3C)C3=C2CCCC3=O)c1	6391277	XZYAZUKAJNVJHR-HSZRJFAPSA-N	383.495	4.917	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c(C)c1	20195440	VHDSCWUHJMMTNR-AFUMVMLFSA-N	377.463	4.543	50	40	GJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccccc2)c(I)c1	226332338	PKYPXHJYANMLFE-VQHVLOKHSA-N	398.627	4.649	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1C	1453414	NYZXZUQZMLXOLI-NTEUORMPSA-N	388.876	4.741	50	40	GJGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	2726938	BQLLLSZDDJBRNS-XNTDXEJSSA-N	377.787	4.947	50	40	GJGB	
O=C(N/N=C/C=C\c1ccccc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1	5888010	XYKMLQFAUOEPQC-NIQJFAJSSA-N	392.462	4.758	50	40	GJGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)cc1	7384888	DDCAFSDHQRYQEI-XIEYBQDHSA-N	385.467	4.843	50	40	GJGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(OCC)c1O	59303176	CJZFMCRCPUBSSV-SSDVNMTOSA-N	393.270	4.590	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1	208462361	NEUVLCOQHFSORD-ZMOGYAJESA-N	397.906	4.744	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	1033722	ZUHLCBUYCOMIDE-FOWTUZBSSA-N	377.831	4.663	50	40	GJGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccco1	1301457	LGFRXADEOIHCST-RVDMUPIBSA-N	392.436	4.730	50	40	GJGB	
O=C(c1ccc(Cl)cc1)[C@@H](CCCl)n1nc(-c2cccs2)ccc1=O	4986594	PAAFXJQASGHWLU-OAHLLOKOSA-N	393.295	4.678	50	40	GJGB	
COc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br	33621862	XWDYZQBDQSIXPK-MLPAPPSSSA-N	392.636	4.873	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F	867536	HSNKYZKYNUBRJT-YRNVUSSQSA-N	379.616	4.787	50	40	GJGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1	2206465	PPCJQNDDQCGRRB-GOSISDBHSA-N	393.537	4.628	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCc1ccccc1	35568902	FTDLDBKPYPVOHG-JXAWBTAJSA-N	376.843	4.866	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408734781	JQJXBTUNXIAGPR-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1Cl	408735226	OTGZEHHWZDPVJG-VCHYOVAHSA-N	393.874	4.872	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1	408759251	AOBHPRFPYSHUAN-MOSHPQCFSA-N	385.467	4.957	50	40	GJGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cnc2ccsc2c1	584908233	WJLTYARMWSMABD-MLPAPPSSSA-N	383.860	4.812	50	40	GJGB	
O=C(NCCc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	4277498	QIZNMCPJGDCXNH-SJORKVTESA-N	382.718	4.759	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C	5575964	WCPVEKLAAKHOGC-YBEGLDIGSA-N	398.875	4.640	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OCC)cc1	20764211	OHHNQACMGJCZPK-LFVJCYFKSA-N	376.456	4.791	50	40	GJGB	
Cc1nc(-c2c[nH]c(C(=O)NN=C(c3ccccc3)c3ccccc3)c2)cs1	29699075	ZCJHRUYHPDIURZ-UHFFFAOYSA-N	386.480	4.629	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/CCCc3c(C)cc(C)cc32)c1	38200231	WFTKCQSGLPAFNT-LVWGJNHUSA-N	378.516	4.971	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC	408993255	VYVXFBQFVUUKTA-YVLHZVERSA-N	396.874	4.940	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1	1191718	PSLQQTIFBRDAGZ-ZHZULCJRSA-N	385.467	4.957	50	40	GJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1	58927140	ZPSAMGNXZNBUMO-JKJLQIMHSA-N	389.499	4.549	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)c1	408691624	JCEJBNCQXCRNAR-WJDWOHSUSA-N	383.407	4.690	50	40	GJGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(Br)cc1	408737421	ABFWVMFMYHWGKH-GHXNOFRVSA-N	379.051	4.981	50	40	GJGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408819500	ZATOWGKFSNCYSD-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(N)=O	408877655	XGGAFWPSYDDFOS-WUXMJOGZSA-N	381.646	4.618	50	40	GJGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc2ccccc2c1	409009406	FJDLXWNEONSPGI-ZMOGYAJESA-N	396.874	4.941	50	40	GJGB	
C=CCn1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	885648	SOOZZAYVSKCSEG-XMHGGMMESA-N	394.478	4.574	50	40	GJGB	
COc1c(Br)cc(/C=C(\C#N)c2cccnc2)cc1Br	1637063	ZWJBQAQOHVCMBN-LFYBBSHMSA-N	394.066	4.679	50	40	GJGB	
CC1(C)CCC[C@]2(C)C(CBr)=C(CBr)C(=O)C[C@@H]12	3117182	DMTHIPXSMWHVAP-DZGCQCFKSA-N	378.148	4.878	50	40	GJGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	4677722	WEGKLGPVQWBUHT-XPIRNMDISA-N	388.471	4.685	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1	5514653	SPPOGKLHXYSOIT-CIAFOILYSA-N	386.860	4.857	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c1C	9196067	VXAOYXJEPWDWDB-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
Cc1ccc(C(=O)/N=C2/C(C(C)C)=C(Cl)C(=O)[C@@](C)(Cl)[C@H]2Cl)cc1	26787240	ABIPCUBDUAJZSG-RUPRXAEDSA-N	386.706	4.913	50	40	GJGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	33334265	VGCGDSGYUUMQIE-YSMPRRRNSA-N	395.418	4.647	50	40	GJGB	
CC(C)C[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1	144814195	OQSVWOIMWXPDER-HXUWFJFHSA-N	387.463	4.636	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	408719172	JDXASBJOUVRVNR-FYJGNVAPSA-N	376.909	4.760	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1C#N	408797006	QQBXQHXMTCGCBC-HYARGMPZSA-N	393.446	4.991	50	40	GJGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1CC=C	408984862	TXFADOKSMGWYTE-UYRXBGFRSA-N	390.870	4.935	50	40	GJGB	
C[C@@H](Br)C(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1	1593253	NTOOIIIBTHLCIJ-IAGOWNOFSA-N	388.349	4.665	50	40	GJGB	
O=C1c2ccccc2OC[C@@]1(Br)[C@@H](Br)c1ccccc1	3138097	BPVJJSBPBXRROZ-GOEBONIOSA-N	396.078	4.532	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1COc1cccc(C)c1C	12462920	NLQCBLHTTKVIGA-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	16806299	FYGMLMOUVYHGFY-OBGWFSINSA-N	394.434	4.556	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)cc1	408591602	VBCMZWLANJCDMI-ZVHZXABRSA-N	379.891	4.749	50	40	GJGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(Sc2ccccc2)o1	409002194	YVYBXGNMSRCTNU-MTJSOVHGSA-N	386.860	4.613	50	40	GJGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)Nc1ccccc1	409014893	QESAAJCQNDMJTI-QINSGFPZSA-N	392.256	4.785	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	889140	XVPXFBCQLQJBPA-CVKSISIWSA-N	397.478	4.527	50	40	GJGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	1950921	BIZNTSJUQLYNTR-UHFFFAOYSA-N	388.467	4.607	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	2077288	MIORAQHBBIUXCH-SRZZPIQSSA-N	399.541	4.574	50	40	GJGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	4147555	RWKRLUXRXBVVLZ-HXUWFJFHSA-N	390.508	4.914	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1	4333968	XEOOZZICCBHWHO-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
N#CC(C(=O)CSc1c(Cl)cccc1Cl)=C1Nc2ccccc2N1	5038228	UZINQBKJSACQSH-UHFFFAOYSA-N	376.268	4.927	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2C)c1C	9201530	DLGLLNHLMLAKJZ-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3cc([N+](=O)[O-])ccc3F)n2)c1	13658484	WAVCIOQRGOVSPJ-RAXLEYEMSA-N	396.403	4.843	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c(C)c1	33622654	HMJDMKWROVPKCH-MOSHPQCFSA-N	385.467	4.962	50	40	GJGB	
CCOc1cc(C=C(C#N)C#N)cc(Br)c1OCc1ccccc1	3252595	WVHODDQRKPPJCE-UHFFFAOYSA-N	383.245	4.857	50	40	GJGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1F	4135177	KBDZTRXZDUXPOZ-ZROIWOOFSA-N	379.416	4.963	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	4723461	ONQZGWKMDISTAW-SFQUDFHCSA-N	394.858	4.605	50	40	GJGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	4864512	QVEGEJFAFONVIA-BRABVMKYSA-N	390.512	4.927	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)c1	8664702	BFRYEODVEHVWRY-CXUHLZMHSA-N	378.453	4.900	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc([N+](=O)[O-])c1O	36056544	QNUDQMULMUCLLS-AWNIVKPZSA-N	397.387	4.636	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc2ccccc12	408898932	YLNVQTJHYLQLJH-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
Cc1ccc(COc2ccc([C@H]3NC(=S)NC(C(C)(C)C)=C3C#N)cc2)cc1	409368344	YTOPZAYGMUYMFO-HXUWFJFHSA-N	391.540	4.917	50	40	GJGB	
CC(C)n1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	4106862	QHRIMINAJYDAIC-SSDVNMTOSA-N	390.399	4.641	50	40	GJGB	
C/C(CC(=O)NC1CCCCCCCCCCC1)=N\NC(=O)c1ccoc1C	4553340	WZLMRCBARAVWDI-JJIBRWJFSA-N	389.540	4.873	50	40	GJGB	
CC/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1	5414529	OBWQQHWZVMZGLW-RCCKNPSSSA-N	385.678	4.956	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2ccoc2C)cc1COc1c(C)cccc1C	33333667	XKCSUIJPIDKDPV-CFRMEGHHSA-N	392.455	4.556	50	40	GJGB	
Cn1c(/C(C#N)=C\c2ccc(OC(F)F)cc2OC(F)F)nc2ccccc21	33645993	VWDBTZHXLXZWIB-WQLSENKSSA-N	391.324	4.840	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C(C)C	408963900	DOKKXLGQLKDNRC-SSDVNMTOSA-N	395.415	4.545	50	40	GJGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	3261433	FZEJYFLCCJXGLM-XDJHFCHBSA-N	398.418	4.811	50	40	GJGB	
C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1	5260632	JGSOGQVULUXVHV-SDGJFRJFSA-N	397.522	4.599	50	40	GJGB	
CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]12	5482666	CIARANHFRXRNDF-QKLQHJQFSA-N	399.281	4.639	50	40	GJGB	
C/C=C1\[C@@H](C)C(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccccc1F	12362746	MYAVKEMYVKFQEA-PXNHAVTGSA-N	393.306	4.990	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1	13546325	LJNSUCFACQYCOG-UVTDQMKNSA-N	391.358	4.848	50	40	GJGB	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Cl)cc1	17078630	NBDFSSGZRHAEHN-XNTDXEJSSA-N	384.911	4.968	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1cccc(Cl)c1	28216186	MEPREJLHNLMKAX-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)COc3ccccc3)c3ccccc32)cc1	408530162	LLGDZESXPRCACI-CVKSISIWSA-N	397.478	4.527	50	40	GJGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408798219	VHOMAYXJRSDCMP-VMPITWQZSA-N	386.032	4.895	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)cc1Cl	408985267	KEGXHAMRAYFLSL-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1	409252248	WXRQCFODGPGJLX-YUMHPJSZSA-N	399.469	4.830	50	40	GJGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1c[nH]c2ccccc12	2658709	RKZJEBVVNTXALO-SSDVNMTOSA-N	395.875	4.785	50	40	GJGB	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NC1CC1	6644431	DMAZKLSZRSZVMO-GXDHUFHOSA-N	393.849	4.668	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(F)cc1	8812335	AAJUCWBELVIRGF-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1cc2c(cc1/C=N\NC(=O)CCc1ccccc1)[C@H](C)CC(C)(C)N2C	208209744	RWHYYAPGHCIHGV-NAHYFOQLSA-N	377.532	4.800	50	40	GJGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OCC	409122700	AZSHGJCKFOWLGM-BDFKGGEMSA-N	398.528	4.589	50	40	GJGB	
CC[C@H](C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1	1857775594	JHDSMMAHIVXAPW-WMZHIEFXSA-N	387.463	4.636	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1C	2403574	LQOFSTSDHMRLOW-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	4175050	MRVLCKAFJFETTR-DHDCSXOGSA-N	393.424	4.800	50	40	GJGB	
CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2sc3ccccc3c2Cl)cc1	6317015	BWWMVGMRUUYNDK-JJFYIABZSA-N	385.876	4.667	50	40	GJGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	16917415	VCAPTMJKRUPSFJ-RVDMUPIBSA-N	379.416	4.712	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c1	208251887	ZUIMWBFLZNMMOD-FIKYGGOLSA-N	399.922	4.835	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1	408784660	VTQCPPVJQVTKRX-RGEXLXHISA-N	377.488	4.866	50	40	GJGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408789114	OAXFYHSAAFTESX-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)Cl)n1	2537754	SNJIQQLHQVIGNA-UHFFFAOYSA-N	390.814	4.809	50	40	GJGB	
Cc1ccc(CSCCNC(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)cc1	12781822	LANCWWHTIKIJCY-FYJGNVAPSA-N	393.556	4.705	50	40	GJGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1	33403586	BIAGHROKFJJQEE-RYOFSJFXSA-N	388.515	4.697	50	40	GJGB	
N#C/C(=C/Nc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	57414162	GTPBMEKFCVCYMP-KHPPLWFESA-N	376.641	4.561	50	40	GJGB	
CCOC(=O)/C(C#N)=C\C=C1C=CN(Cc2ccc(Cl)cc2Cl)C=C1	5672504	BSIHOFJISAVVLE-TVPGTPATSA-N	375.255	4.776	50	40	GJGB	
CC(C)n1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	9204837	XOVOQAJFTUPOBO-WSDLNYQXSA-N	398.304	4.678	50	40	GJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1	11288205	ICPAVULNRZGQGD-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	16282803	MKQPNDMWKUUGFY-PSHHWHLWSA-N	396.874	4.728	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1ccccc1	409044467	CNZQMSNKLPCUBL-UYRXBGFRSA-N	398.418	4.509	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2c1	409233646	GZBKQVXJHIGRJO-UEIJICEPSA-N	386.451	4.641	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1C	3085437	RBTZTQGQQVTFJL-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O	3148405	GVGQOJQFZBDXOL-FBCYGCLPSA-N	389.691	4.595	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408812267	MMDDRLLVHNQSGM-ZROIWOOFSA-N	386.810	4.598	50	40	GJGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1	408815174	UPJOUKFIBPUOIW-GDNBJRDFSA-N	390.370	4.638	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409234010	VLDPVDXZOFGFHC-IEGJVIMNSA-N	378.472	4.657	50	40	GJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1	2241663	ACRASWWRBOJERY-KRWDZBQOSA-N	399.878	4.699	50	40	GJGB	
O=[N+]([O-])c1ccccc1[C@@H](Br)[C@H](Br)c1ccccn1	4235284	QBPGDIIPQCPVEE-CHWSQXEVSA-N	386.043	4.562	50	40	GJGB	biogenic
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c1	18210753	LWRXJFHJRZRUAQ-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20760325	SDADNMVZOAZEDT-LPYMAVHISA-N	396.288	4.662	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(N(C)C)c(Br)c3)[nH]c2c1	33923919	BAQICMPLLXHVMT-ZROIWOOFSA-N	381.277	4.764	50	40	GJGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(Br)cc1	62715743	SFBIVEGECUVRJM-WEVVVXLNSA-N	381.653	4.815	50	40	GJGB	
Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	408580185	MWJAENVIDRTCIZ-HMMYKYKNSA-N	375.449	4.827	50	40	GJGB	
O=C(N/N=C\c1ccccc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408728493	NJTFDGUNOSJMMH-CFRMEGHHSA-N	375.859	4.624	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1	408921388	ARXFBUOPKCAYMG-GXDHUFHOSA-N	389.238	4.716	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(OC(C)C)c1	409371552	HKSWPECPDOQMJU-YDZHTSKRSA-N	388.895	4.607	50	40	GJGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CCC2	948291	YAPSGJVACVFUAE-LFIBNONCSA-N	394.496	4.692	50	40	GJGB	
O=C(N/N=C/c1ccccn1)c1ccc(COc2ccc3ccccc3c2)cc1	2632154	VITXLSLQJAYIIX-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	4278986	QGQDTHRHEHCINJ-CXUHLZMHSA-N	378.453	4.900	50	40	GJGB	
CCCCCCc1ccc(OCCOc2ccccc2/C=N/NC(C)=O)cc1	4599716	VLNAMHYKJXLSQX-HKOYGPOVSA-N	382.504	4.737	50	40	GJGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	4821746	GKWQSLBXAWUGNC-AUWJEWJLSA-N	378.369	4.691	50	40	GJGB	
C=CCN1C(c2ccc(C)cc2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2	5574333	AYWPVBBSDJISDZ-PYCFMQQDSA-N	389.528	4.739	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1Cl	6966830	LWFRLQYQQBJFJA-WSDLNYQXSA-N	385.920	4.810	50	40	GJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)o1	408542033	JGVLMOLYLBZHKK-GDNBJRDFSA-N	390.351	4.626	50	40	GJGB	
N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1	408808844	FSWSUDKFQXFCJD-YSMPRRRNSA-N	395.418	4.647	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)NCc1ccco1	408820687	YBJOFMAAUWZENK-LDADJPATSA-N	392.842	4.735	50	40	GJGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(O)cc3)sc2c1Cl	408969531	PLBVSTVOQBEEFZ-ZBKNUEDVSA-N	395.267	4.686	50	40	GJGB	
Cc1ccc(C(=O)N/N=c2/oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1	1954286	HZSQVROZLCQKOW-ZZIIXHQDSA-N	394.434	4.530	50	40	GJGB	
CCOC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	6891823	UOMSPHQTQLWMOH-JJFYIABZSA-N	394.258	4.716	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N\NC(=O)Cc3ccc(C)cc3C)c2)cc1	216047165	AOPBFXCCVNNKAI-QQXSKIMKSA-N	386.495	4.884	50	40	GJGB	
CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1	225734161	KALGWNWCJAJFMN-GOSISDBHSA-N	386.330	4.630	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1	408922663	FUVQUKHNWNANCO-XYOKQWHBSA-N	376.199	4.756	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1c(Cl)cccc1Cl	5409183	ISLOSLXWBQWNLL-GFCCVEGCSA-N	389.267	4.663	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(OC)c1	6301502	OIWWGPMOLBJFQE-FSJBWODESA-N	398.846	4.690	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc12	409235081	NTBXUTOITAQYAB-FXBPSFAMSA-N	384.479	4.894	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408854723	AOPYBXXUPUWMFR-OYKKKHCWSA-N	387.439	4.613	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCCC4)cc3)cc2c1	409187710	UCWMOFYCXRMFPL-JLPGSUDCSA-N	391.471	4.586	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1	1188578	ZGINVLAMARERRH-ZHZULCJRSA-N	385.467	4.957	50	40	GJGB	
CCOC(=O)N/N=C/c1ccccc1OCCOc1ccc(C(C)(C)C)cc1	4526000	XNASQNWAOHPFCV-XQNSMLJCSA-N	384.476	4.522	50	40	GJGB	
CC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1	5914012	QODRXEFLCUXZPR-NJNXFGOHSA-N	392.886	4.506	50	40	GJGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(F)cc2)cs1	13647998	GCNVENKIMJEMNR-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NCc3cccs3)cc2)c1	59534404	RKDDHZKKOOOUJW-DEDYPNTBSA-N	388.492	4.859	50	40	GJGB	
Cc1cc(C)c(-c2csc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)n2)cc1C	98053647	KHGZYDOTNVHQDG-YVLHZVERSA-N	389.480	4.987	50	40	GJGB	
O=C1c2ccccc2C(=O)C1C1=C[C@@H](c2ccccc2)[C@@H](Br)N=N1	100930488	AOSRCNTXJBXSEJ-LIRRHRJNSA-N	381.229	4.536	50	40	GJGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3ccccc3O)cc2[C@H](C)CC1(C)C	208318168	ZGAXHYFTGUFMCY-DNPFKWNUSA-N	379.504	4.577	50	40	GJGB	
O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728348	KATVOVHXKVRZHO-ROTLSHHCSA-N	393.849	4.763	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408825588	BBJXQDRVJDJMBT-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408866722	IEEVARAFPXVMCE-WUXMJOGZSA-N	391.652	4.657	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccccc1F	985619	XZYXHAAJRSBXHA-IBGZPJMESA-N	382.398	4.587	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	59335722	VJODNMRDBYSNMV-ZHZULCJRSA-N	388.467	4.843	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	408744872	NUFYMUXMCMTGGC-DHDCSXOGSA-N	385.250	4.860	50	40	GJGB	
N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc(Cl)cc1	408761486	FZPGUVGOCSPRPD-QINSGFPZSA-N	392.798	4.698	50	40	GJGB	
C/C(=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1ccc(C)o1	408957978	WSXIIIAACWBLRK-BWAHOGKJSA-N	390.483	4.833	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409235080	AGEUAVAYELIMPP-AFDUHFSSSA-N	392.499	4.528	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1OCC	1320097	KPWMUQPHNLTLMI-SYXCRGJESA-N	398.503	4.527	50	40	GJGB	
O=C(CCCCl)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1	2207118	TVYYTRRCTANZSF-UHFFFAOYSA-N	399.855	4.994	50	40	GJGB	biogenic
COc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1	4457917	BSJMJHSYAHIBFV-JLHYYAGUSA-N	386.367	4.804	50	40	GJGB	
N#C/C(=C\c1cc(Br)ccc1OC(F)F)c1nc2ccccc2[nH]1	5072705	AGGDAAKCOCHGSM-YRNVUSSQSA-N	390.187	4.991	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1	59432654	NQWDWYOMOMGRTQ-CPNJWEJPSA-N	377.488	4.704	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1O[C@H](C)CC	409188117	ATGOELXDWXDZNY-KWZJRMENSA-N	390.911	4.882	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)=O)cc3)n2)cc1	1306537	LCZKMVGFPHEHAN-SFQUDFHCSA-N	375.453	4.998	50	40	GJGB	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)n(-c2ccccc2)n1	5554958	RHMGUDDGBFITRZ-XDJHFCHBSA-N	394.434	4.986	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2Br)cc1	216069626	IBFVFAMCVWVTAQ-KGENOOAVSA-N	389.293	4.700	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)nn2-c2cccc(C)c2)cc1	408724431	KHBYLSGKLGHSPP-BUVRLJJBSA-N	384.439	4.513	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccnc1	409022827	UBWZGEKMXBTRCB-MYKKPKGFSA-N	392.846	4.653	50	40	GJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2o1	409039595	CSNVCJGGLUKRCJ-NBVRZTHBSA-N	395.418	4.909	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409232306	NTWQPMNYGQNOJN-FMNVXAMXSA-N	399.288	4.632	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1C	4922716	HHAJUVZXINTZDU-SFHVURJKSA-N	393.487	4.662	50	40	GJGB	
CCO[Si](CCCCCCCCCCC1OCCO1)(OCC)OCC	203689771	DNGMPYRLKXUQKY-UHFFFAOYSA-N	376.610	4.919	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3ccccc3)cc21	208246047	POMPSFOFDYFHHN-LZCVXGSNSA-N	383.923	4.755	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1	408789544	JXLMGIIKNKJQKE-KGENOOAVSA-N	379.419	4.683	50	40	GJGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3cccc(Cl)c3)CC2)cc1	2597574	OEQLOBOUWNODJG-RMORIDSASA-N	388.902	4.785	50	40	GJGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)cc1	4503788	JFDMYYVNDSXKFS-ZVHZXABRSA-N	384.391	4.562	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1	4777323	KIWFIWRRYOJJRZ-LICLKQGHSA-N	375.453	4.673	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)c1	4922429	NCZUYJGSGXFOMW-GOSISDBHSA-N	395.915	4.868	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3C)C3=C2CCCC3=O)c1	6391280	XZYAZUKAJNVJHR-QHCPKHFHSA-N	383.495	4.917	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	16412110	ROAOWOSCLYCLMQ-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)cc1OC	23100712	IWDMTDJXDRLYGL-MHWRWJLKSA-N	385.847	4.936	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1O	59248155	YWTBKLVWNDWQMB-WJDWOHSUSA-N	382.847	4.718	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c1	208192021	NFYGPCKFPRJJAQ-GYXHFJGISA-N	389.499	4.963	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)NCCc1c[nH]c2ccccc12	408955812	UQZZEFSTOXWFRV-RGEXLXHISA-N	381.435	4.694	50	40	GJGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(Br)cc1	409112436	GNDHYAJIGZZYKK-XSFVSMFZSA-N	391.334	4.780	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409242739	SUAFYTSALRAFLO-QQXSKIMKSA-N	385.442	4.522	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccccc1OCCOc1ccc(C(C)(C)C)cc1	4503494	NHQZUWCPJGMPIM-MNDPQUGUSA-N	393.483	4.912	50	40	GJGB	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1	5260631	JGSOGQVULUXVHV-JNPOWPEBSA-N	397.522	4.599	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OC)n2)cc1	6793822	KCJCWXNKJZMSIS-LFIBNONCSA-N	378.453	4.900	50	40	GJGB	
COc1cccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	100373596	KPONOMILJJWFEO-KAMYIIQDSA-N	378.413	4.703	50	40	GJGB	
CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1	408585108	ADTDJOAJSVDNDT-DHDCSXOGSA-N	376.239	4.999	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)o1	409368858	PXWTVPQQIPKVHE-KEBDBYFISA-N	387.233	4.683	50	40	GJGB	
O=C(/C=C/c1cccc2ccccc12)NNC(=O)/C=C/c1cccc2ccccc12	4616630	IXKNAINIZKKACD-YTEMWHBBSA-N	392.458	4.867	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	6477717	WCXAGWGXTCNAHK-MRXNPFEDSA-N	398.915	4.799	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1(c2ccccc2)CCOCC1	32646793	QAWLFOVXHFFAPT-UHFFFAOYSA-N	399.705	4.838	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1	5205772	XODSVEFZPRBATG-BUVRLJJBSA-N	390.508	4.893	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O	408754489	KMOJKNZXOLTIMY-GHXNOFRVSA-N	377.227	4.643	50	40	GJGB	
CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=N/NC(C)=O)cc1OC	4600128	OZJOAOCIACIVMW-FLVDCRJSSA-N	398.503	4.527	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1	5516995	PICYDZBEDLJTJQ-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(N2CCCC2)cc1	7385648	LZBZKQJKSYVRDU-NLRVBDNBSA-N	399.494	4.630	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccccc1Cl	107819224	LHCUOSQUKLMFDO-ATVHPVEESA-N	391.858	4.999	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2cccc(Cl)c2Cl)c(C)c1	408905405	ABDNWHCGHVVYCX-WSDLNYQXSA-N	379.287	4.783	50	40	GJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409249081	IINFECWCQQUORM-XLNRJJMWSA-N	383.495	4.750	50	40	GJGB	
O=C1c2ccccc2C[C@@]1(Br)[C@H](Br)c1ccccc1	1745037	JUJMPSGRVCAFPK-GDBMZVCRSA-N	380.079	4.695	50	40	GJGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	4864511	QVEGEJFAFONVIA-YQCVNYCESA-N	390.512	4.927	50	40	GJGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(C)ccc3C)C3=C2CCCC3=O)cc1	6715021	NJBYCCOEVJPJFR-HSZRJFAPSA-N	399.494	4.617	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccnc1	10037864	YKGNKBJWZLMGLQ-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	408719795	LQTARJZHJWSSQY-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3ccccc3C)c2C)cc1C	409063462	LGHVVIARVICKLG-WGARJPEWSA-N	388.515	4.582	50	40	GJGB	
O=C(c1ccc(SC(F)(F)F)cc1)[C@@H](Br)CBr	575361390	ZOJMSQNBOLDWCL-QMMMGPOBSA-N	392.034	4.640	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)cc1	1195146	RYFQWQOCVLBIIF-RVDMUPIBSA-N	392.798	4.844	50	40	GJGB	
O=C(CCCl)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12	4267800	WIJZZWZCQNENBY-UHFFFAOYSA-N	377.227	4.906	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccc2ccccc12	9203408	SMXNJYLMTQCJJQ-HYARGMPZSA-N	381.273	4.685	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2[C@H](C)CC1(C)C	208308770	FRTUONFMAJNWCF-GGMUZDTOSA-N	393.531	4.500	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	408599353	GJIWMEDECIJCGI-ZVHZXABRSA-N	390.439	4.706	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc2ncccc2c1	408968145	WSOVEJYVAXWSDL-VULFUBBASA-N	386.430	4.545	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1	985590	XJBCCWKQLJCUGB-MRXNPFEDSA-N	397.265	4.910	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1cccc(C)c1	6256674	BSJCGTDJHZKYPJ-PCLIKHOPSA-N	383.451	4.711	50	40	GJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1	408569182	ZJEDGVKRHXIPDZ-XKZIYDEJSA-N	381.435	4.817	50	40	GJGB	
Cc1ccccc1OCCCn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	5898480	WJUVNGFRRHRMBN-XDJHFCHBSA-N	399.494	4.604	50	40	GJGB	
CN(C)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	34257451	HLSBVDZNPMHCSI-ONUIUJJFSA-N	394.478	4.732	50	40	GJGB	
BrC/C(=N\N=C(/CBr)c1ccccc1)c1ccccc1	104200378	OKSVKMYYVXABJN-MXWIWYRXSA-N	394.110	4.670	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	408865135	BBCSEMZWQYEOPA-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	409177137	BSPQICKKNJOVOQ-WGOQTCKBSA-N	379.419	4.664	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	15357196	CRTHZJNRNPASQR-WQRHYEAKSA-N	389.480	4.597	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)cc1	20764215	ITEPTULNHLWUNX-BUVRLJJBSA-N	376.456	4.790	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1F	28215814	MFYSOKOPBAVGJV-ZMOGYAJESA-N	395.503	4.617	50	40	GJGB	
N#C/C(=C\C1=Cc2cc(Br)ccc2OC1)c1nc2ccccc2[nH]1	54182487	FXHWWUODFGDQCS-RIYZIHGNSA-N	378.229	4.708	50	40	GJGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1	409217284	OPUSSKYZYVSNMO-FSJBWODESA-N	395.871	4.714	50	40	GJGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1c(O)ccc2ccccc12	3166808	XEUGJMSWUMSJAH-ZMOGYAJESA-N	376.456	4.506	50	40	GJGB	
CC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1	5099433	DXRWWYPJYVVMHG-UHFFFAOYSA-N	376.909	4.545	50	40	GJGB	
CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)c2C1	9089436	MYYAFYIFBUJZMJ-LJGKHRNASA-N	386.927	4.758	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	59194311	TUXYFEHZAIBNDK-NTEUORMPSA-N	390.222	4.683	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1	3139170	WGLGCAPHWAZHJE-QNYSKSNPSA-N	399.450	4.761	50	40	GJGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]12	5482671	CIARANHFRXRNDF-MBOZVWFJSA-N	399.281	4.639	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1O	15009367	SOKRHZXMXHARCO-AWNIVKPZSA-N	398.260	4.721	50	40	GJGB	
N#C/C(=C\c1cccc(OC(=O)c2cccs2)c1)C(=O)NC1CCCCCC1	17080636	PYHYXURZVBTZRD-GHRIWEEISA-N	394.496	4.713	50	40	GJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC	107751943	RDUXYNJJJQGWTR-JHAVZTMOSA-N	395.286	4.943	50	40	GJGB	
COCCNC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1	6181120	OMAJORGGICFESC-UZYVYHOESA-N	397.478	4.826	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	408598565	DMROZNGWMGGTBM-ZVHZXABRSA-N	390.439	4.706	50	40	GJGB	
N#C/C(=C/c1ccc(I)o1)c1ccc(C(F)(F)F)cc1	408758601	NNFILZDZAZXJKC-YFHOEESVSA-N	389.114	4.967	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1O	408806046	AHWKBOXCWUACIH-MHWRWJLKSA-N	382.847	4.637	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1ccc(Cl)cc1	409189599	RFEGOLLZGHVSBE-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@]4(N=C=S)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	1724185	BJBNBXRABJZBCO-VUZIEMLISA-N	389.561	4.755	50	40	GJGB	
CC(C)(C)C1=CC(=NNC(=O)c2cc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O	5563008	RMCCLPWJJYLKEJ-UHFFFAOYSA-N	377.488	4.781	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	38704608	DFDLLGHVDXVRDB-KAMYIIQDSA-N	389.377	4.834	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)Cc3ccccc3)cc2C(C)=CC1(C)C	208514063	MWGLUAMNYHYIDF-PCLIKHOPSA-N	375.516	4.710	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408566166	DUMPNMPFXMXUEL-GHXNOFRVSA-N	386.224	4.927	50	40	GJGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)N3CCCCC3)c2c1	408785958	COKFLXLBMQJNSH-NBVRZTHBSA-N	385.467	4.763	50	40	GJGB	
O=C(N/N=C/c1cccc(Br)c1)c1cc(C2CC2)nc2ccccc12	1253641	QCCRFIXUPOJEBM-WSDLNYQXSA-N	394.272	4.639	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3285448	YNBGAGJRPGDPER-DHRITJCHSA-N	388.446	4.787	50	40	GJGB	
COc1ccc2ccccc2c1C=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	245241672	MKQPNDMWKUUGFY-OAHLLOKOSA-N	396.874	4.728	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408849998	CNLIZBNAGGFFOA-FBHDLOMBSA-N	396.244	4.749	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1	409236432	GCRXQOMNWQAPSI-QFEZKATASA-N	396.849	4.751	50	40	GJGB	
Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	575414529	JOQZEKHGISRPLP-DLBZAZTESA-N	389.590	4.832	50	40	GJGB	
CCc1ccc(NC(=O)CSSCC(=O)Nc2ccc(CC)cc2)cc1	1806517	HAERVYGESYFBMR-UHFFFAOYSA-N	388.558	4.770	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1F	5530182	NKXPHXPASGXGQQ-ZMOGYAJESA-N	391.471	4.963	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	5661810	LPCLVERCYSGMQN-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
COP(=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC	98007359	XYMWGFFLXHNJTQ-UHFFFAOYSA-N	385.340	4.565	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cl)cc1OC	408790764	YKCHSPCFVAWVCN-NTUHNPAUSA-N	391.254	4.946	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	409252498	SEEZBBICFUYJOG-ZHZULCJRSA-N	389.499	4.848	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)N1CCCC1	409370739	DPZQKFZNFZDCBH-CJLVFECKSA-N	382.463	4.948	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	4817222	RXJXDEBVZFDWLB-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
Cc1ccccc1N1C(S)=C(C#N)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1	19810091	LNAYGBYIGFSWPL-LJQANCHMSA-N	377.513	4.593	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1	408745497	MWSBGYNVBBMFNK-AQTBWJFISA-N	386.407	4.703	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1Cl	408993710	FDBUXYRCWHCALD-UFFVCSGVSA-N	376.243	4.758	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1ccc(Cl)cc1	409188997	MJJJWZQFDLRIGC-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
O=C(Cl)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12	2564278	KZUGOAZNENCWQC-UHFFFAOYSA-N	375.737	4.947	50	40	GJGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1F	5570645	WGWIPUPMVNSOSL-ATVHPVEESA-N	389.386	4.931	50	40	GJGB	
FC(F)(F)C1(CCBr)C(F)(F)C(F)(F)C(F)(F)C1(F)F	95707962	YKVUESIULZNJPI-UHFFFAOYSA-N	389.002	4.875	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408773872	JLGYHXFMGRXRBO-UMYHVIPVSA-N	384.888	4.830	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2c1	409233647	GZBKQVXJHIGRJO-YZYPPFLQSA-N	386.451	4.641	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc2c(c1)OCO2	409365742	RSJJVBFVFUYFML-NHDPSOOVSA-N	380.403	4.930	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(C)c2)cc1	4498535	ITJLTWRCIAAQOM-CYVLTUHYSA-N	375.472	4.540	50	40	GJGB	
CCCCCCOc1ccc(C=NNC(=O)COc2cccc(CC)c2)cc1	16638312	OFXZQMCXBIGVEW-UHFFFAOYSA-N	382.504	4.737	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ccccc2)CC1	408855602	GYLOVOHKVSQGLA-CLCOLTQESA-N	393.490	4.609	50	40	GJGB	
CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	4680559	WOXVORJGIBWTQM-CPVMSTJTSA-N	377.271	4.966	50	40	GJGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2ccnc2)cc1	5516947	GNGCEAGTVDHLSU-YDZHTSKRSA-N	394.887	4.894	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1O	6439479	IBIDTDHIQAZAGF-MLPAPPSSSA-N	389.205	4.526	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Br)c2O)cc1	33558693	CTETVEZLYXLCKO-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208200253	CJZXHMJZZRFPDX-IZVPMIMASA-N	399.922	4.591	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc2ccccc12	408999983	MAWNVOMTPKLQSR-ONUIUJJFSA-N	381.479	4.940	50	40	GJGB	
COc1cc2c(cc1OC)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)CC2	524729908	NWYRSCRYCBNAQN-ZBFHGGJFSA-N	381.563	4.521	50	40	GJGB	biogenic
CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(=O)OC	4545186	OAHWBWQUNIYPHR-BXDFRRGMSA-N	384.476	4.738	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4953735	IGNUEHJGNGHDCJ-GHRIWEEISA-N	385.379	4.933	50	40	GJGB	
CSc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1	5071154	ZJZIDSQFICIGSH-JLHYYAGUSA-N	379.510	4.649	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	13457898	GAGCJTIZRQGPHA-QGOAFFKASA-N	386.407	4.753	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	20197680	BAVRRSJBMQLLSY-PCLIKHOPSA-N	389.499	4.955	50	40	GJGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)cc1	35655276	VMUTYDBTQGGSGN-JJIBRWJFSA-N	396.490	4.840	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(O)cc1	408798073	UOJGTZIAVJOOKD-QGOAFFKASA-N	388.398	4.656	50	40	GJGB	
Cc1c2ccccc2c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc12	408973844	CCWWLFDQKAVXIY-VULFUBBASA-N	396.446	4.723	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	5984498	MGYNEGFEOOZGPN-LNOXHEFASA-N	397.456	4.751	50	40	GJGB	
CN1/C(=C(\C#N)C(=O)CSc2ccc3ccccc3n2)Sc2ccccc21	6984515	TYDYIORIDCPSAU-QNGOZBTKSA-N	389.505	4.873	50	40	GJGB	
CC/C(=N/NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1	33663911	QKTWBJBPHBQHHQ-BZZOAKBMSA-N	388.467	4.575	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	33736454	XGMDKPXPSTZNPD-SQFISAMPSA-N	377.831	4.685	50	40	GJGB	
COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1	102873828	APVYNUWGFIRWOV-UHFFFAOYSA-N	383.425	4.870	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccncc1)[C@@H](C)CC(C)(C)N2C(C)C	223591523	GIOCMLYAFTZVRP-YSGZUTGPSA-N	378.520	4.655	50	40	GJGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)c1	409193772	LOEQIEUMCKOXHC-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccs1	409243365	YAZVUKLCFZVPPH-YDZHTSKRSA-N	377.444	4.654	50	40	GJGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc(C)c1C	1453550	YQUCBEJMMSGIJT-GZTJUZNOSA-N	390.464	4.850	50	40	GJGB	
CCCCOc1ccccc1/C=N/NC(=O)CSc1ccc(Cl)cc1	3090023	SHOXVYIPDZOSGZ-FYJGNVAPSA-N	376.909	4.761	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	6428650	UNFLNAZRMOYSEY-UKTHLTGXSA-N	391.254	4.946	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(F)cc1	6948306	GDEWTYHPRDGEQA-YDZHTSKRSA-N	390.443	4.504	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc(OC)c1O	44028249	LGMBQNBFRQATLY-IZZDOVSWSA-N	378.211	4.506	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1	408742795	YFODXRBVUSFSIL-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
Cc1ccn2c(C(=O)N/N=C\c3ccc(-c4cccc(Cl)c4)o3)c(C)nc2c1	408865338	AKGSJTVDDHDURV-FMCGGJTJSA-N	392.846	4.628	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408968834	ZQFWRLKKENLERF-MFKUBSTISA-N	389.499	4.861	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1	4705349	BMJFQNNKXKYOQP-GZTJUZNOSA-N	386.407	4.807	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1	4922520	KLYXHYOFAPEBGQ-IBGZPJMESA-N	375.497	4.523	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1	40143080	NAWCVRCVKPGTMW-UHFFFAOYSA-N	395.677	4.649	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408794557	JOFBWVIORUXZOC-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
CC(C)(C)c1[nH]nc2c1[C@H](c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)=C(N)O2	664780	SEKKMUIJAIOFRD-INIZCTEOSA-N	394.862	4.839	50	40	GJGB	
C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1ccc(F)cc1	4534724	CCXPFSWPIDAQKQ-ZVBGSRNCSA-N	389.641	4.705	50	40	GJGB	
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1CC(C)C	4613403	OGSWXVZVYRKBJK-KRWDZBQOSA-N	386.492	4.605	50	40	GJGB	
Cc1cccn2c(=O)c(C=C(C#N)C#N)c(Oc3ccc(C(C)(C)C)cc3)nc12	5561409	BKPHAVNSBYYEDK-UHFFFAOYSA-N	384.439	4.523	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1	9201622	RIXVXBNXHLUDTE-BUVRLJJBSA-N	375.472	4.565	50	40	GJGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	83326010	CJYKDXYKKIADGQ-IXOWOOARSA-N	382.847	4.564	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)nc1	409236502	SLEQYLOJNFVXNS-QLTNSANVSA-N	384.483	4.582	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC	1788484	WROFQHLAXIHBIB-XSFVSMFZSA-N	399.512	4.911	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cc(Br)cc(C(C)(C)C)c2O)c1	3139718	QOWFTKLECRNGPL-SRZZPIQSSA-N	389.293	4.525	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1	3174542	XHOIIGSKXGNKBG-WLXKGNRNSA-N	390.483	4.936	50	40	GJGB	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1	6715022	KGDZOSIQYBKPNP-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2Br)o1	252502640	USEJUKAUBBSDBE-UHFFFAOYSA-N	378.023	4.902	50	40	GJGB	
CCOC(=O)c1c(NC(=O)CCl)oc(-c2ccccc2)c1-c1ccccc1	409111508	CONGOEZHGJFJQQ-UHFFFAOYSA-N	383.831	4.968	50	40	GJGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NCc1ccco1	781405	FVBKNHLZXVBKHB-LDADJPATSA-N	399.425	4.645	50	40	GJGB	
N#CC1=C2C=CC=CN2/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	12603704	PLPPBHBUCKUEPZ-MOSHPQCFSA-N	394.459	4.688	50	40	GJGB	
Cc1c(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cccc1[N+](=O)[O-]	59920909	QEIJWYAUDQBGGS-ZVHZXABRSA-N	383.407	4.974	50	40	GJGB	
BrC/C=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100429382	GPHFPIRAVVLWMW-KHPPLWFESA-N	396.288	4.932	50	40	GJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408793363	ONUYEJIGLKXVHK-WUXMJOGZSA-N	377.227	4.556	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1C	3212194	POGMKXWXMYENNK-WYMPLXKRSA-N	381.863	4.779	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc(Cl)c1Cl	4473372	RFLZMKDJMRKPQH-CQSZACIVSA-N	383.238	4.602	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	20197281	QZLTZFVIQJWIMO-KOEQRZSOSA-N	388.467	4.818	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	28216275	ANCFKUSSAWQMMG-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1	890414	WRBOZNFZAHKOCF-ZVHZXABRSA-N	391.858	4.665	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1	1454290	ROWMBTGLPSSCER-NTEUORMPSA-N	389.238	4.716	50	40	GJGB	
CCOP(=S)(OCC)Oc1cc(Nc2ccc(C)c(Cl)c2)n(C)n1	2577939	PLECEEWGAUCPNJ-UHFFFAOYSA-N	389.845	4.802	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(OC)c1OC	44027396	LNTKLIOVKSSNLI-AWNIVKPZSA-N	396.830	4.637	50	40	GJGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)c(C)c1	409195121	RKGIEQZTBFZMDB-BKUYFWCQSA-N	375.516	4.985	50	40	GJGB	
Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)CCCCl)c3)nc2c1	4746991	WFHDDIUUBAGWIT-UHFFFAOYSA-N	387.892	4.635	50	40	GJGB	
COC(=O)COc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1	108126870	SIFNHDSFPAJDJF-XNTDXEJSSA-N	382.466	4.505	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C)c2)c1C	408589183	KUSTUTPLBFHWGX-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
O=C(CSc1ccccc1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl	408726287	AXJWVZUMBMVNQH-UFFVCSGVSA-N	390.295	4.784	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)O	408855159	CTLGXFHSCCMLBK-YVLHZVERSA-N	383.831	4.605	50	40	GJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc2c3c(cccc13)CC2	408857519	HUWRJXQUWFBBJJ-BHGWPJFGSA-N	399.277	4.774	50	40	GJGB	
Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	575414536	JOQZEKHGISRPLP-IRXDYDNUSA-N	389.590	4.832	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)cc1	664599	GROHURKWLYYLBW-GOSISDBHSA-N	388.446	4.731	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)cc1	4922587	RGVZRKVLJYCITK-FQEVSTJZSA-N	389.524	4.777	50	40	GJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc12	4953196	ZQNQLMFNBMPUGF-UHFFFAOYSA-N	379.397	4.523	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1	20348067	HHDBAMGZJYSNFS-FXAWDEMLSA-N	389.524	4.771	50	40	GJGB	
CCc1cccc2c(C(=O)/C(C#N)=C\c3cc(Cl)c4c(c3)OCO4)c[nH]c12	48265394	UZIZCDZXLNVVQZ-NSIKDUERSA-N	378.815	4.902	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2nc1C	4660340	MQWAMYMXWJBAGV-MFKUBSTISA-N	383.451	4.859	50	40	GJGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccncc1	4721702	BEFYDBHSCDJJLD-OBMCKAMCSA-N	379.807	4.620	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C2\CCCC[C@@H]2C)c(C)cc1Br	4863628	IQZFKPGBPGKRGK-BNTYZMSGSA-N	383.355	4.840	50	40	GJGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	44028231	RDKGYALLPLELMI-KPKJPENVSA-N	392.238	4.809	50	40	GJGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(SC)N1	1438126	FLWFOUKFIDYVMI-MRXNPFEDSA-N	376.909	4.742	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408966932	NZTGQJPBRHFOLQ-LFWZTCNZSA-N	394.393	4.655	50	40	GJGB	
CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)Nc3cccnc3)ccc21	409142666	FLVXAVHXOJOFMU-LFIBNONCSA-N	384.464	4.860	50	40	GJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	5175880	JCUALJZCEYERJA-MFKUBSTISA-N	381.435	4.715	50	40	GJGB	
CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1	6024264	IRZDJIWMHNORGV-QGZVFWFLSA-N	385.876	4.631	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	6428484	BNGMHJWZXVEYEL-XDJHFCHBSA-N	392.455	4.588	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	6844718	AEMXJGSFZJJGSP-SXGWCWSVSA-N	382.803	4.723	50	40	GJGB	
CC[C@@H](Br)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1	26522296	AEDPCMOIJFCKBN-OAHLLOKOSA-N	391.696	4.944	50	40	GJGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	33380512	JAWTZRKWQNPYMS-UUYOSTAYSA-N	395.286	4.945	50	40	GJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccs1	34514189	RLGDMOBYILZHQL-IBGZPJMESA-N	396.475	4.819	50	40	GJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	6363959	TXMFMQPXOICNDX-CIAFOILYSA-N	381.457	4.871	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(O)cc3)cc21	208249183	ZPQPPSZCFIHXON-GHONEHJGSA-N	385.895	4.532	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1	223477988	JVDJDTKRXAATRF-MFKUBSTISA-N	391.515	4.869	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	4723451	KLQJMCXHQBQWOE-GHRIWEEISA-N	387.395	4.963	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2C1	4922596	MULNWPCTITVYGE-IBGZPJMESA-N	389.524	4.777	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	5431728	FLTCWKOXPHKMDL-KOEQRZSOSA-N	388.467	4.818	50	40	GJGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(Cl)cc1Cl	5749446	IFJYSQVIXZQEJI-OMCISZLKSA-N	378.078	4.581	50	40	GJGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2cccc3ccccc23)c1Cl	23486125	GYKNDNSYIUXUSG-GZIVZEMBSA-N	393.661	4.541	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccccc3C)c1)C2	59501525	HXMORXGTBAHSEY-VULFUBBASA-N	383.495	4.896	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1O	96476424	DSZAXYRCNDEVAJ-SXGWCWSVSA-N	382.847	4.637	50	40	GJGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	100171846	ASJLIQYHKAXFCE-HAVVHWLPSA-N	397.475	4.637	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c(C)c1	408747332	MIYNLMYVBWISMN-UCQKPKSFSA-N	383.495	4.934	50	40	GJGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1	408780608	GFIUPEYSMBTRPV-SDXDJHTJSA-N	385.467	4.937	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408800111	KOERNIAXUGZGQN-NTEUORMPSA-N	385.807	4.583	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408876453	OXCYLMNNZSWZLC-VIZOYTHASA-N	385.261	4.620	50	40	GJGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl	408974421	YYKAPMNNKLWNKZ-UWVJOHFNSA-N	394.239	4.880	50	40	GJGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)SCCS1	409258700	ZFCATIZJHPDXIT-FYJGNVAPSA-N	388.558	4.663	50	40	GJGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	706165	UXYNTRWRCXWRBE-KRWDZBQOSA-N	397.265	4.706	50	40	GJGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OCC	850120	SELJUPRPDAHJRQ-JOCHJYFZSA-N	386.451	4.855	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1C	4923134	GBEMNJCWEVPXIX-IBGZPJMESA-N	375.497	4.523	50	40	GJGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1F	5577552	WGWIPUPMVNSOSL-SFQUDFHCSA-N	389.386	4.931	50	40	GJGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Cl)cc1	6998007	NYLPWJIZMVZMLD-OYKKKHCWSA-N	394.858	4.587	50	40	GJGB	
COc1cc(/C=C(\CCCCl)C(=O)OC(C)(C)C)ccc1-n1cnc(C)c1	95079962	JNFDBCRFDCPLDW-GZTJUZNOSA-N	390.911	4.933	50	40	GJGB	in-vitro
O=C(N/N=C/c1ccc(O)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	1513214	CIVVLKKSXLYEMD-ZMOGYAJESA-N	389.842	4.958	50	40	GJGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1Cl	3127288	VEVBMBLLPWVRAJ-CPOBKIPGSA-N	385.678	4.873	50	40	GJGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(-c2ccc(F)cc2)o1	4499579	BVIVLFINFFRNGZ-ROTLSHHCSA-N	390.336	4.797	50	40	GJGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cccc(Br)c1	4966348	OIWYMASPSCJWLZ-HNNXBMFYSA-N	383.270	4.882	50	40	GJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccccc2)cc1	59303456	SRUZBABZJBOHNA-KOEQRZSOSA-N	382.467	4.649	50	40	GJGB	
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\NC(=O)c1ccc(C)cc1	101455735	HSANLEFLJSHHJC-ATJXCDBQSA-N	383.904	4.610	50	40	GJGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccccc1	408900036	SKLKMVMMLYDHDH-YZSQISJMSA-N	394.430	4.823	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCc1cccs1	781419	LHUNMOJVTXPETL-WOJGMQOQSA-N	392.455	4.690	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	1771968	ZRVHJWROYMAOPN-FYJGNVAPSA-N	399.541	4.718	50	40	GJGB	
O=[N+]([O-])c1ccccc1[C@H](Br)[C@@H](Br)c1ccccn1	4235285	QBPGDIIPQCPVEE-STQMWFEESA-N	386.043	4.562	50	40	GJGB	biogenic
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1	4922668	ODFQWMDNUJVNQE-IBGZPJMESA-N	393.487	4.608	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1	5827185	SAEATOCQNWBYSU-NTCAYCPXSA-N	391.496	4.716	50	40	GJGB	
COc1ccc(Br)cc1C(=O)N/N=C(\C)c1cccc2ccccc12	8812730	CFLWHXJFUDWCQA-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccccc1Cl	20238023	TWVBXRVKMZPLAW-MRXNPFEDSA-N	387.936	4.688	50	40	GJGB	
N#C/C(=C\c1csc(Br)c1)c1nc(O)c2ccc(Cl)cc2n1	31855646	WHASHAWAADHHEJ-YCRREMRBSA-N	392.665	4.877	50	40	GJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccs1	34514188	RLGDMOBYILZHQL-LJQANCHMSA-N	396.475	4.819	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1O	96476760	GFXXYZOBOXPSOJ-NKVSQWTQSA-N	393.226	4.608	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccccc2)o1	408858006	IDJMNRWZJJSMHN-FLIBITNWSA-N	378.247	4.663	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Cl	409055020	HQNHVELDNXSWTH-LSHDLFTRSA-N	395.673	4.731	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409369120	CVIQMZODOIOCQK-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	4520509	OVXCAOALNNSXGS-XMHGGMMESA-N	398.374	4.604	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(Br)c2)cc1	6543168	GAUGYQBDCHZQFT-XNTDXEJSSA-N	385.261	4.566	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC	409022921	IDNYIQALSVQGIM-UUYOSTAYSA-N	386.835	4.648	50	40	GJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1	3101280	FSENHLAYTPFKIK-LSHDLFTRSA-N	379.287	4.954	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1C1CC1	12811091	QJQFVKKGDYYJIS-XNTDXEJSSA-N	390.512	4.681	50	40	GJGB	
CC[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C\c1cccc(Cl)c1	33348474	IKSOKXALVMDWFU-PFHZTYADSA-N	389.933	4.971	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c1	59473266	ZUTUGVDTDYZYDB-FSJBWODESA-N	384.545	4.722	50	40	GJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1	408855178	DASMQDMDWMMYSX-ONUIUJJFSA-N	395.462	4.922	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)cc2c1	409186483	CQANNBSTIGTEHJ-FBHDLOMBSA-N	377.227	4.902	50	40	GJGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)OC(C)C)cc3)[nH]c2cc1C	409190257	QSGKWDVOKLNCOD-WQRHYEAKSA-N	389.455	4.574	50	40	GJGB	
Cc1ccc(COc2ccc([C@@H]3NC(=S)NC(C(C)(C)C)=C3C#N)cc2)cc1	409368343	YTOPZAYGMUYMFO-FQEVSTJZSA-N	391.540	4.917	50	40	GJGB	
Cc1cc(C)c2c3c(sc2n1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O3	663547	GGVKCJNJZYDREQ-AWEZNQCLSA-N	385.851	4.924	50	40	GJGB	
O=C(N/N=C/c1cccc(-c2ccccc2)c1)c1ccccc1Br	2333123	JIWQMQYTRNQYAA-HYARGMPZSA-N	379.257	4.880	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	6370045	WHUBAQDECNBZDG-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
COc1ccc(OCC(=O)N/N=C(/C)c2ccc(C3CCCCC3)cc2)cc1	33718632	SPPNSKNIGPSFAW-ULJHMMPZSA-N	380.488	4.662	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)nn2-c2ccccc2)cc1	408726625	SDPHGRQPKFPKAW-KOEQRZSOSA-N	380.451	4.612	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1nc2ccccc2[nH]1	408780470	ZJPMXYYLKLHGHK-UNOMPAQXSA-N	395.418	4.904	50	40	GJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408797176	BNQGRDUBFXGJOC-YCCMJLSYSA-N	399.494	4.739	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409188686	JWKCQJFIHJSUGG-KEBDBYFISA-N	395.684	4.654	50	40	GJGB	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	409346383	LIGJFAXPQURSKK-UVTDQMKNSA-N	391.339	4.836	50	40	GJGB	
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)CCCCl)ccc3o2)cc1	4710974	KTWRGMATYNNUNM-UHFFFAOYSA-N	387.892	4.635	50	40	GJGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1	20132584	ICUPTTADPGQNIV-QMMMGPOBSA-N	392.116	4.561	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2c(C)n(CCC)c3ccccc23)cc1	20198122	SPNKLNMVPYDXME-LFVJCYFKSA-N	377.488	4.912	50	40	GJGB	
Cc1ccc(C)c(-c2csc(/N=C(O)/C(C#N)=C/c3c(C)n[nH]c3C)n2)c1	40139763	KOANPVFPEZRCIW-OVCLIPMQSA-N	377.473	4.962	50	40	GJGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc2Cl)cc1	59334116	RRGVDPIRIRTIGT-PXNMLYILSA-N	389.282	4.876	50	40	GJGB	
CC/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	408872857	KEGRROVLRCHOGF-RCCKNPSSSA-N	381.259	4.555	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408954239	SBCQPIIGFIDLQH-SQFISAMPSA-N	377.831	4.685	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12	5409292	SVKRRWGGOBPWRH-XKCSPQBFSA-N	376.463	4.674	50	40	GJGB	
CSc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	14151776	WBPIXVFLGHGKGG-GXDHUFHOSA-N	379.510	4.766	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(Br)cc1	20248615	YJFUMFODBNUBPX-YBFXNURJSA-N	397.725	4.735	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1	408785118	YNPNMTGDYZDNNQ-ZSOIEALJSA-N	385.807	4.581	50	40	GJGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408954023	QYBFYRGRMLGNOU-HKWRFOASSA-N	394.478	4.533	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12	409369391	MCEMXDIJUGLCPG-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)n1	409378924	SJSPPJQDTCEYSF-MDWZMJQESA-N	396.790	4.569	50	40	GJGB	
CCNc1ncc2ccccc2c1-c1ccc(N2CCN(CCCl)CC2)cc1	1562690	GCCAIXWIAOJDFZ-UHFFFAOYSA-N	394.950	4.694	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	83317352	LERKURFFDSPOGY-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OC	409355874	FNAZXWGGJREUMY-AUWJEWJLSA-N	392.238	4.618	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)cc1	853164	GHFPTGXGNLVDEO-ZVHZXABRSA-N	391.540	4.786	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1ccccc1)C2	3079865	LIOYZDXUAQPRGK-ZMOGYAJESA-N	375.859	4.624	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	4595214	AGLHXCFVCCSSKQ-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1cc(Cl)cc(Cl)c1O	4705045	SWBJRBQSHRCZSJ-UHFFFAOYSA-N	383.234	4.862	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1Cl	5916080	XHVRVHTWSYXFQP-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1	36123516	HHDBAMGZJYSNFS-PXNSSMCTSA-N	389.524	4.771	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Cl)c1	408744147	JIFNRKORKVXGJP-ZSOIEALJSA-N	386.238	4.750	50	40	GJGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccc2ccccc2c1	408765545	LZNHDUCCNWWUAL-CXUHLZMHSA-N	393.240	4.854	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1F	867504	KSEBQQBYZJQGIV-BJMVGYQFSA-N	380.162	4.586	50	40	GJGB	
COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(Cl)cc1)OCC2	12419700	UHSYWYJAXALOGX-GOSISDBHSA-N	397.696	4.568	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	408793588	PPBIEBPNKVKQIH-DTQAZKPQSA-N	386.407	4.753	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl	408806830	BNZOIAYWSYCSDM-JYRVWZFOSA-N	389.213	4.690	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccccc1	408890601	WHIZMKOVCZOCKS-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)o1	408999082	WGSIMOCTMGTIDN-OEAKJJBVSA-N	393.512	4.543	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	409362554	RHNRDMKLPOHBNN-LPYMAVHISA-N	397.272	4.710	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(Cl)cc1	8278311	ACACFPFGSDXRQZ-WSDLNYQXSA-N	392.286	4.561	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H]1c1nc2ccccc2[nH]1	42061176	OZVHMZKZTNZZDF-RHSMWYFYSA-N	375.563	4.941	50	40	GJGB	biogenic
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	408995770	NHHPIJMZWYKROW-CFRMEGHHSA-N	383.854	4.579	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1	409226897	WESKKYZMIUWSBY-OYKKKHCWSA-N	392.842	4.632	50	40	GJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409366721	XTAAOKNUQFNCPB-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	941997	ABSDTNOZOSAAHO-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
CC[C@@H]1C(C#N)=C(S[C@@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(O)=C21	102917677	DLAKKAFRLIIJJZ-AUUYWEPGSA-N	395.528	4.794	50	40	GJGB	
COc1ccccc1/C(C)=N/NC(=O)CCn1c2ccccc2c2ccccc21	4188340	KNUORWMJKDJTBP-KOEQRZSOSA-N	385.467	4.734	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(Cl)cc1Cl	58917820	QAQGICMTZKVQIB-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1	100843717	BQIKJILJERHAJA-RAXLEYEMSA-N	396.403	4.843	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC1CCCC1	101426982	ZTHDQASBKCIJIJ-AQTBWJFISA-N	380.875	4.885	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cl)cc1OC	408792311	AIYWHJZSERCJQL-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)cc1	3085265	VLJDGWXNJSXCQR-VNSNFZHPSA-N	398.506	4.768	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1	5736432	NMGWESRVLFALRY-WLXKGNRNSA-N	388.515	4.637	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C	6594603	QKSUWDAWSYRXTN-CPNJWEJPSA-N	385.467	4.935	50	40	GJGB	
C/C(=N/NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc2ccccc2c1	12447101	BVSDPKCGLQTWHN-ITYLOYPMSA-N	387.483	4.716	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	409238113	CCTUBAMBVBYVOH-FMNVXAMXSA-N	399.288	4.632	50	40	GJGB	
CC(C)=C[C@H]1[C@@H](C(=O)OC(C)(C)[C@H](Br)CBr)C1(C)C	4429875	INEXNAHDVGGQHF-TUAOUCFPSA-N	396.163	4.705	50	40	GJGB	
CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]12	5482667	CIARANHFRXRNDF-HLIPFELVSA-N	399.281	4.639	50	40	GJGB	
COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1	30822654	MIOXGZUIQZQBLH-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cc(Cl)c(OC)c(OC)c3)c2c1	40139900	GWXNWLRKNMFOAC-AWNIVKPZSA-N	396.830	4.637	50	40	GJGB	
C[C@H](Sc1nc2ccccc2o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1	104733219	XGKGTKOOSQRELM-YXQUIRMVSA-N	379.466	4.830	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)nn2-c2ccccc2)cc1	408724158	GQRCILIBUCKGHF-HZHRSRAPSA-N	386.480	4.673	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC	408881171	IICNACVISLJDQS-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
COc1ccc(-c2cc(-c3nnc(CCl)o3)c3ccccc3n2)cc1OC	2649923	BYSLZCJOKOYXBP-UHFFFAOYSA-N	381.819	4.708	50	40	GJGB	
COc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1	3266445	QHRBLPZVDAWMNS-UHFFFAOYSA-N	396.830	4.680	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	4705359	WXXRFWPHHIUSML-OQLLNIDSSA-N	398.293	4.992	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	5010204	TXEGTEMMEXMQGL-LICLKQGHSA-N	377.444	4.727	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	6645955	WLWNMJYXWLOGOQ-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)c2ccc(OC)cc2)cc1OC	71805138	IWDMTDJXDRLYGL-YBEGLDIGSA-N	385.847	4.936	50	40	GJGB	
CCP(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F	100502020	UBVIKBCAFJERDE-UHFFFAOYSA-N	394.148	4.530	50	40	GJGB	
N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	100839820	WJWDRFFRWWIHGD-RAXLEYEMSA-N	393.384	4.603	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(C)=O)c3)o2)cc1	408746301	RQDRHOWUZPGTHG-AQTBWJFISA-N	386.407	4.703	50	40	GJGB	
CC(C)n1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	408948897	HILRMZAQGGKUBS-UYRXBGFRSA-N	396.494	4.969	50	40	GJGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1C1CCCCC1	408993337	DIFAIVCWLSGTSD-YDZHTSKRSA-N	387.911	4.793	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(N(C)C)c1	409012370	JNLJKCPUIQBUEB-KOEQRZSOSA-N	389.499	4.849	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1ccccc1	2735812	ROIPDJHTJZQBTL-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(C)c1	6008920	IMLLMEZJPOKAGM-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	59433151	HVRISWBJKXILRI-WYMPLXKRSA-N	388.345	4.738	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccn1	409240955	VSVIZYPRTYZXBY-ATVHPVEESA-N	376.847	4.688	50	40	GJGB	
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCCCl	4267279	HBICXXHCOJMFFM-UHFFFAOYSA-N	386.835	4.651	50	40	GJGB	
N#CC1=C(c2ccc(Cl)cc2)Nc2c(-c3ccc(Cl)cc3)cnn2[C@@H]1N	226759082	MELHYLGNVVLSPQ-SFHVURJKSA-N	382.254	4.675	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	408796324	NSBPORLIJNYSPO-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccccc1F	2197071	SRJKXSNDKRDZJL-MRXNPFEDSA-N	399.878	4.699	50	40	GJGB	
CC/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(O)cc1	4600420	PVDVRRJXVDLTFH-OQKWZONESA-N	395.286	4.789	50	40	GJGB	
CCOC(=O)COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OC	6326353	LCJHHLZETIDZFC-CPNJWEJPSA-N	387.435	4.854	50	40	GJGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	83252627	WUOZUBSUFFMKTB-MTJSOVHGSA-N	399.244	4.524	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	169881387	ARXPPUZSQMNLND-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccccc3F)cc21	223476210	LYCCAURPBLQAIB-AFUMVMLFSA-N	379.479	5.000	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409390506	DMZAADDSUAQWSX-QPEQYQDCSA-N	383.835	4.696	50	40	GJGB	
O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1Cl)c1ccc(Cl)cc1	4194508	NZYCNGAIQPSJCL-QZTJIDSGSA-N	378.280	4.806	50	40	GJGB	
COc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccccc1F	4679452	TYZVLLMBHLYUNG-UHFFFAOYSA-N	387.208	4.606	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	59410836	ITDREYOCYAVVTQ-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OC(C)C	205561341	QPKATJZGXKBRNT-PACYTGELSA-N	398.890	4.920	50	40	GJGB	
N#CSCC(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	226328146	LDQVFCKFCYJEAW-UHFFFAOYSA-N	378.240	4.954	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	2807034	PUZPWKAWQFXOIE-KPKJPENVSA-N	380.753	4.913	50	40	GJGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl	3672643	KAKCSNMDVNUPRI-NRFANRHFSA-N	386.838	4.723	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	6209889	DUNJLYUNLTVOAK-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)N/N=C/c5cccs5)(C4)C2)C3)cc1	100845898	ZKCLDHGZBIGXHX-VUFVVONJSA-N	393.556	4.980	50	40	GJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1C(F)(F)F	408720269	XDIDNHFLTSNGJV-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409211163	MXRBXUPDDIWBKL-RMKNXTFCSA-N	385.139	4.607	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)c1	4922610	AUGJGCLZUWFEJD-LJQANCHMSA-N	375.497	4.523	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1	4922971	IBORPQVTYHMDFL-KRWDZBQOSA-N	395.915	4.868	50	40	GJGB	
CSc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1	6454180	WLEKWLKKKQOXRC-GOSISDBHSA-N	396.537	4.559	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1	28216376	NIOYJYPXCJEZEJ-MMTNMYCKSA-N	377.513	4.725	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	39127379	RQORAGJOLHUNBS-XFXZXTDPSA-N	378.259	4.978	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	135752429	FAJZPLBEUCNGLY-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
C[C@@]1(C(=O)N/N=C/c2ccc(Cl)cc2)NC2(CCCCC2)Cc2ccccc21	408734258	MHNXYQRITARVFM-NJRDNMGOSA-N	395.934	4.554	50	40	GJGB	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408747845	UPAHHSZTHOJGNY-WQLSENKSSA-N	391.652	4.657	50	40	GJGB	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408566526	HHMDZEPJENKBMO-GHXNOFRVSA-N	385.240	4.595	50	40	GJGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1	408955718	YSSWBWCGVAZXLE-YDZHTSKRSA-N	393.830	4.649	50	40	GJGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F	867538	SCESJMRMNVJYDC-IZZDOVSWSA-N	379.616	4.787	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(N(C)C)c3)cc2)cc1	6966377	DUEFNTGUJJDQRD-LFVJCYFKSA-N	389.524	4.976	50	40	GJGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	44027388	PHHJIJHIDWJHIU-AWNIVKPZSA-N	396.830	4.637	50	40	GJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl	409238496	DRRFKCMTSZJXRH-YBEGLDIGSA-N	389.282	4.658	50	40	GJGB	
CC[C@@H](C(=O)O)c1ccc([C@H](CCl)CNC(=O)OCc2ccccc2)cc1	2362803798	LYCHIJZDSRKHNR-RTBURBONSA-N	389.879	4.514	50	40	GJGB	
O=C(Nc1ccccc1)N(C1=NC[C@H](CBr)S1)c1ccccc1	5774449	PCRJWAMHWUKLRW-HNNXBMFYSA-N	390.306	4.591	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1O	6958557	BTHVWDZNDFWVSE-QPEQYQDCSA-N	389.205	4.526	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC	7163660	PBPDHYKSVHCGSN-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
O=C(CCCCl)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20133619	BGPVEIVJLZEYAQ-UHFFFAOYSA-N	378.856	4.972	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1	33379809	SPRMJJFNOHBQRC-HYARGMPZSA-N	387.321	4.830	50	40	GJGB	
O=[N+]([O-])c1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1	104387482	SJJDRKVWVMANMG-UHFFFAOYSA-N	399.430	4.821	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCC(C)C)c(Br)c2)c1	408600599	DUMKGDKBFBFBSF-SRZZPIQSSA-N	389.293	4.556	50	40	GJGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1	408930692	AUZDLBIJQNUHFK-WYMPLXKRSA-N	391.780	4.913	50	40	GJGB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc12	876518	CIQVTXIJMKSNCP-OAQYLSRUSA-N	393.446	4.516	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	6410538	LXTNBOVIWDSNHR-HDAKKWKLSA-N	378.472	4.658	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1	6240645	RDXCFAIRUKHGMQ-XCVCLJGOSA-N	395.629	4.921	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc21	223501711	MWLHFVAEDYAOAQ-AFUMVMLFSA-N	391.515	4.875	50	40	GJGB	
N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	1817445	UIDCBODGDUQCRU-JLHYYAGUSA-N	393.384	4.603	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)cc1C	4922558	UHTMQHBYQRRNAG-FQEVSTJZSA-N	389.524	4.831	50	40	GJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cncn1-c1ccc(F)cc1	15631462	IMYSCHWBDKHCNC-UHFFFAOYSA-N	399.640	4.729	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3cccc(C(C)=O)c3)n2)c1	16890808	SNILHNIRQPBBDC-ATVHPVEESA-N	375.453	4.998	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1	408726223	KCACKRUBSIAXLI-OEAKJJBVSA-N	378.497	4.622	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccccc1	13779298	QPIXCAWNPANWIQ-UVTDQMKNSA-N	392.798	4.844	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(O)cc1	15227157	GSQBDHGKNZCPRP-PTNGSMBKSA-N	377.831	4.690	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC	34829101	RDVBSBBXMYPKIG-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br	408808535	MKFFVZCNDIODGF-RVDMUPIBSA-N	385.261	4.784	50	40	GJGB	
CSC1=C(C#N)C2(CCCC2)C(C#N)=C(OCC(=O)c2ccc(Cl)cc2)N1	2376242	LNRZPSNAGDJXNH-UHFFFAOYSA-N	399.903	4.536	50	40	GJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1	3179882	BNEGPAHTQZUNGT-HMMYKYKNSA-N	396.437	4.676	50	40	GJGB	
CCCCCC(/C=N/NC(=O)Cc1cn2ccsc2n1)=C\c1ccccc1	7982232	YWNMIPSADHJBGF-OMKGMAMGSA-N	380.517	4.704	50	40	GJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)[nH]c2c1	51011906	FLYIEUDKSUWXTB-LCYFTJDESA-N	386.367	4.809	50	40	GJGB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1	95471566	FDOBHYVSLIVXCA-DHDCSXOGSA-N	386.839	4.771	50	40	GJGB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C	195771191	IPIYLSHSOAXUMV-FHAURAPNSA-N	399.607	4.811	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c1	223543752	LOEMFGRAQRSHTO-STPJHCLOSA-N	393.531	4.960	50	40	GJGB	
CCCO[C@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@H](C)C1	225662369	WCGUGFSLHVGIIA-HNAYVOBHSA-N	398.341	4.774	50	40	GJGB	
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1Br	4507056	BVFZBPLLGTXYCW-KRWDZBQOSA-N	391.696	4.785	50	40	GJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1	20348332	DVPPQNZMJNSKRP-SFHVURJKSA-N	395.915	4.555	50	40	GJGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc2c3c(cccc13)CC2	408756575	WHHMMDKESZCTMI-LGJNPRDNSA-N	382.385	4.650	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c4ccccc34)cc2c1	409185316	WWCGNSYPUGICMU-OYKKKHCWSA-N	388.423	4.757	50	40	GJGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3cccc(Cl)c3Cl)o1)C(C#N)=C(N)O2	818754	WRQPAIJSOIKMAC-OAHLLOKOSA-N	387.226	4.503	50	40	GJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Br)c1	1211899	FDVYWHNIURVPBZ-KPKJPENVSA-N	391.652	4.657	50	40	GJGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	4545157	NCXXGKBXTZYKCN-FOKLQQMPSA-N	384.222	4.889	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2C[C@H](c3ccccc3)CC=C12	4631448	SVKRRWGGOBPWRH-LSWJPFSZSA-N	376.463	4.674	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	20197684	ICWJPTWKRYUIDB-PCLIKHOPSA-N	389.499	4.955	50	40	GJGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	33336719	DUTZVCQNCZSFAC-UNOMPAQXSA-N	394.408	4.502	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409234012	VLDPVDXZOFGFHC-KDWLXDBESA-N	378.472	4.657	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(F)cc1	1189191	SZMNFZRMMGZQEP-KAMYIIQDSA-N	377.331	4.540	50	40	GJGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1sc2ccccc2c1C	4744896	WRRVKQJEAXTONL-OAHLLOKOSA-N	396.493	4.584	50	40	GJGB	
Cc1ccsc1/C=N\NC(=O)Cc1ccc(Br)c2ccccc12	5174588	BVSMCZNDDIQITC-JAIQZWGSSA-N	387.302	4.665	50	40	GJGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1	5408664	MTKCVJFYZOWWQR-KRWDZBQOSA-N	376.485	4.536	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Cl)c2)cc1	5675847	WLXYBRVPLCDHTA-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2n1C(F)F	12524849	UYQISOHTBNEPIR-DHRITJCHSA-N	384.430	4.883	50	40	GJGB	
CCc1cc(Cl)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12	20133390	YSHOBOZKZOYBRV-NSHDSACASA-N	375.719	4.870	50	40	GJGB	
O=C(Cl)c1ccc2nc(-c3cccc(I)c3)sc2c1	73740424	CXIONUQROJHOFW-UHFFFAOYSA-N	399.640	4.947	50	40	GJGB	
Cc1cccc(NC(=O)N/N=C\c2cccn2-c2cccc(Br)c2)c1	409017432	WPDURAMTRRPGSL-BKUYFWCQSA-N	397.276	4.704	50	40	GJGB	
O=C(CSCc1cccc(Br)c1)NN=C1CCCCCCC1	831076	XYOBNIADPNSESV-UHFFFAOYSA-N	383.355	4.899	50	40	GJGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	4148679	SYZVILFPVDAFLX-WJDWOHSUSA-N	390.424	4.897	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	5792367	WBEBWPZEPBEKBO-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
N#C/C(=C/c1cc2ccccc2nc1N1CCOCC1)c1nc2ccccc2s1	96767122	VBYUBYZENIEVIJ-JXAWBTAJSA-N	398.491	4.745	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc(C(F)(F)F)c1	408719374	CTSUDAIOPWSSCO-SSDVNMTOSA-N	386.826	4.991	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1Cl	409018765	ZCNWTUUAUPNPGO-SOAGAIGUSA-N	387.911	4.696	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	852542	GQZSDRULEVIQQW-YBFXNURJSA-N	399.450	4.677	50	40	GJGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2805866	LOJAWQXUZHFDIJ-VZUCSPMQSA-N	394.736	4.633	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)o1	5445914	HQROTANMWGPPCO-YZSQISJMSA-N	399.450	4.869	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	6477644	WCXAGWGXTCNAHK-INIZCTEOSA-N	398.915	4.799	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc2c(c1)OCCO2	23101474	PRTXKLPVSGUHAA-FOWTUZBSSA-N	388.448	4.732	50	40	GJGB	
O=C(CCCCCBr)Nc1ccccc1C(=O)Nc1ccccc1	3145734	DOMDMPVIEHRGFM-UHFFFAOYSA-N	389.293	4.833	50	40	GJGB	biogenic
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(O)c2ccccc2n1	4137487	MYLZAVBTKAXRAK-SDNWHVSQSA-N	384.351	4.568	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC	33343370	UROKZENYCBJYBM-CNEWXIHYSA-N	394.515	4.645	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OC	409073990	OXKVBNUOKLSHLR-SFQUDFHCSA-N	380.419	4.507	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1	1912711	TUUVKASDKRVVLU-KNTRCKAVSA-N	377.488	4.867	50	40	GJGB	
N#C/C(=C\c1cc(Br)c(Br)o1)c1nc2ccccc2[nH]1	4678095	HOGAJVCBJHZSMM-VMPITWQZSA-N	393.038	4.745	50	40	GJGB	
CC[C@@H]1C(C#N)=C(S[C@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(O)=C21	102917673	DLAKKAFRLIIJJZ-KUHUBIRLSA-N	395.528	4.794	50	40	GJGB	
Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H](c4c(I)cccc43)[C@@H]12	104286192	CLNJDPHWYNPRTG-ZMIZWEQZSA-N	377.052	4.503	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)Nc3ccccc3OC)cc2[C@H](C)CC1(C)C	208306343	QRTWMZBDJORRQQ-OYJNRBEISA-N	394.519	4.963	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)N1CCCC1	409367584	FPKZXNZRILFCDC-HZHRSRAPSA-N	382.463	4.948	50	40	GJGB	
N#CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21	1011385	CNZLTCVLNNHQTP-VULFUBBASA-N	392.418	4.828	50	40	GJGB	
C=CCn1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c2ccccc21	6388903	ZKBBPDWWFNCMOX-MFKUBSTISA-N	383.451	4.753	50	40	GJGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(c1ccccc1)c1ccccc1	12376003	BBAPLPUSBDYCEG-OEAKJJBVSA-N	393.830	4.530	50	40	GJGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	33417945	YNVXZZUXMMSWDL-ULJHMMPZSA-N	395.506	4.936	50	40	GJGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	59514914	NEIOOVXNQIFVHZ-LFVJCYFKSA-N	387.439	4.591	50	40	GJGB	
CCOC(=O)c1c(N/C=C(/C=O)c2nc3ccccc3o2)sc2c1CCCC2	100929655	NMLGJSJFOGCXSR-QBFSEMIESA-N	396.468	4.597	50	40	GJGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	207147920	KYVGJBJEMBACIF-RGEXLXHISA-N	378.472	4.982	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)cc1	408901038	ZKKNOKSOLTVGEB-ZVHZXABRSA-N	392.842	4.632	50	40	GJGB	
COc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C(C)C	818631	PVMRIFQCNQOTOL-HXUWFJFHSA-N	380.488	4.578	50	40	GJGB	
O=C(O)c1ccccc1[C@@H](Br)[C@@H](Br)c1ccccc1	1727335	NWIXCCOPMLPXJA-UONOGXRCSA-N	384.067	4.957	50	40	GJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1	4160128	XYKMLQFAUOEPQC-GUFLCCFCSA-N	392.462	4.758	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccccc1	4534477	PKHGDOCMFJOLIP-HYARGMPZSA-N	381.273	4.685	50	40	GJGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2cccs2)/C(=C/c2cccs2)C1	20468909	ZEJBNUDWAVNNER-CECLQJIQSA-N	395.553	4.679	50	40	GJGB	
C[C@H](Sc1ncnc2sccc12)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23561810	PPRRNPNWEFDLDW-QCQOHNBASA-N	396.522	4.694	50	40	GJGB	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	30614767	OHKWJOHARRRUON-HXUWFJFHSA-N	392.842	4.551	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl	408739550	COOWZWGETNXFPQ-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)c1nc2ccccc2[nH]1	409047725	PFPRWLUUVOQMDG-NBVRZTHBSA-N	394.434	4.645	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1O	1101721	GFXXYZOBOXPSOJ-ZVBGSRNCSA-N	393.226	4.608	50	40	GJGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	1245337	CVCNDXOAAGUMKF-JFLMPSFJSA-N	396.494	4.560	50	40	GJGB	
Cc1ccc(C(=O)N/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1	1954289	HZSQVROZLCQKOW-COOPMVRXSA-N	394.434	4.530	50	40	GJGB	
COc1ccc2ccccc2c1/C=N\NC(=O)COc1cc(C)ccc1C(C)C	16291118	JNMVXFAPQWPJRK-QFEZKATASA-N	390.483	4.809	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(O)cc1	408793050	CVUIQSITHQNDAI-QGOAFFKASA-N	388.398	4.656	50	40	GJGB	
Cc1ccc(COc2ccc([C@H]3NC(=O)NC(C(C)(C)C)=C3C#N)cc2)cc1	409368114	RUTIWNROGJOEJA-HXUWFJFHSA-N	375.472	4.752	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)n1	409384224	BHWHAOVIEKXKNO-MDWZMJQESA-N	396.790	4.569	50	40	GJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)ccc21	672024	QEDSYDMZBQDFIT-MFKUBSTISA-N	398.466	4.537	50	40	GJGB	
Cc1ccc(OCCSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1	6477135	LQGXHDQSMQRCBA-SFHVURJKSA-N	398.915	4.799	50	40	GJGB	
Cc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc2n1C	59249227	OSDOQPCGNZTWCG-WGOQTCKBSA-N	397.478	4.683	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1Cc1ccccc1F	408774098	APCLLTWAYKPGPI-PDGQHHTCSA-N	375.447	4.569	50	40	GJGB	
CCCSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	2220337	JGXSKDZIWDCERY-IBGZPJMESA-N	382.529	4.904	50	40	GJGB	
Cn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	14152029	KNIUPDJVUNSPBH-GXDHUFHOSA-N	386.480	4.536	50	40	GJGB	
O=C(CCCCl)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1	17354100	IJAVBJVEKJZMOK-UHFFFAOYSA-N	393.826	4.933	50	40	GJGB	aggregator
CCCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20761150	RQVFQGSKVUBAKW-LPYMAVHISA-N	398.304	4.886	50	40	GJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc2c3c(cccc13)CC2	59372730	TULIWNBLNPHKMR-WYMPLXKRSA-N	394.927	4.975	50	40	GJGB	
C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)c1nc3ccccc3nc12	100746627	WWOOALUAGOTYDL-GTTSAUCSSA-N	396.126	4.555	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	208249836	YWCQTFUEXJQNEH-FIKYGGOLSA-N	399.922	4.835	50	40	GJGB	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)ccc2O1	408710842	OVVHSJIARKKOCR-OQLLNIDSSA-N	386.373	4.965	50	40	GJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccc(C(F)(F)F)c1	408720143	UBWVSKVZJRZKGO-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1	408772720	QSSISDILTFBWHP-ZDLGFXPLSA-N	398.890	4.749	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	408786052	KLVJZNPJYYCQNV-LPYMAVHISA-N	389.952	4.570	50	40	GJGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccccc1F	2232335	IPAFYBKZDHAWQZ-MRXNPFEDSA-N	399.878	4.699	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Br)c2)cc1	5682967	CHSZDKAXLCWLPS-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	59333712	JATADZIXURFONI-DHDCSXOGSA-N	375.255	4.568	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2	59372746	PCBAQMHINPHTNO-FSJBWODESA-N	380.900	4.834	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1O	408799603	ZOURJWJSYYNWTM-ONNFQVAWSA-N	397.645	4.907	50	40	GJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408995882	BVKDXVJUSWGXHM-LDADJPATSA-N	392.459	4.604	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1	948028	YKSUTHVYWYZGSZ-RCCKNPSSSA-N	375.449	4.604	50	40	GJGB	
O=C(N/N=C(/c1ccc(O)cc1)c1ccc(Cl)cc1)c1cc2ccccc2[nH]1	4675521	VKMBKRJQCKFIAK-NJNXFGOHSA-N	389.842	4.709	50	40	GJGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	4690091	DJAUKXUFKNRAIC-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
Cc1ccc(Cn2nc(C)c(/C=C(\C#N)c3nc4ccccc4n3C)c2C)cc1	23055431	FPBUHXXORFQCPK-DEDYPNTBSA-N	381.483	4.808	50	40	GJGB	
COc1ccc(/C(C)=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1	32202589	RYTUOHAHMAGQFN-XCOOOMCFSA-N	384.479	4.542	50	40	GJGB	
CCCCn1c(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)nc(C)c1C	32801716	NGHYXGROLQJXQQ-HNNXBMFYSA-N	395.532	4.623	50	40	GJGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccccc1	408718745	DTOQMIFLSZMYQL-ZWMAJNLBSA-N	392.499	4.551	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2	408735318	QNHDFOLSLAKYFW-LFYBBSHMSA-N	375.211	4.576	50	40	GJGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408797174	BNQGRDUBFXGJOC-PHZCAERGSA-N	399.494	4.739	50	40	GJGB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(N)=O	408877912	XZFSZQHXBSDVKF-LICLKQGHSA-N	376.843	4.773	50	40	GJGB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2)cc1	409115297	LPIWYFSKTBSVAA-HMAPJEAMSA-N	391.452	4.818	50	40	GJGB	
CCc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1	3140614	OBGGSPNLEAYTQD-AFUMVMLFSA-N	381.520	4.709	50	40	GJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408583508	VGASTEOFZYBRGX-MHWRWJLKSA-N	398.256	4.542	50	40	GJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl	409232206	OXFXGMWCROUKTH-IYVNWDGISA-N	375.255	4.786	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	409257150	RBQMNCCVAVSSIN-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NN(c1ccccc1)c1ccccc1	14245245	KVJDJKAHVPLUHE-DEOSSOPVSA-N	397.478	4.820	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1	20197588	BCGVOZFWVROZOU-LFVJCYFKSA-N	376.456	4.791	50	40	GJGB	
CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)[C@H]2C(=O)OC(=O)[C@H]12	86050903	ZRBIDSORDFCGOL-PIKOESSRSA-N	378.509	4.890	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OC(C)C)c1	408798430	IHQRJORHIOEJCD-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c1	650264	YKNROLWQUNUUDW-WSDLNYQXSA-N	397.818	4.542	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Br)c1	1211383	QMXXYJDNMNDPQP-UKTHLTGXSA-N	380.245	4.785	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1	2286704	SNDRNMFYACFPKJ-QVKFZJNVSA-N	390.870	4.857	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	3088318	DZZSDNRAFXFJSY-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12	4631449	SVKRRWGGOBPWRH-WPYKKVEZSA-N	376.463	4.674	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	16436873	SYXBYNKGTDEFCT-LFIBNONCSA-N	382.847	4.768	50	40	GJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1	30822647	SUZUSHJDPSRIHZ-WSLHGYQHSA-N	381.520	4.575	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1cccc(Cl)c1Cl	59336613	PFVRWXNMRSWWGY-BENRWUELSA-N	376.243	4.732	50	40	GJGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1	96663080	AZXICEHGCLZTKY-HMAPJEAMSA-N	390.446	4.783	50	40	GJGB	
CCOC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCC	104214807	PQMMIHKBEZKSQH-UHFFFAOYSA-N	377.444	4.852	50	40	GJGB	
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)CSC#N	226328501	DKVCCNVKZFDBGE-UHFFFAOYSA-N	381.457	4.780	50	40	GJGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408877141	QEORDZCRHMHDPK-OMHIIYBDSA-N	385.511	4.966	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSc2cccc3cccnc23)cc1	3193943	ZMBOWKXEYUZSPK-BUVRLJJBSA-N	393.512	4.656	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)cc(Cl)c1O	4705041	AJUGZUIGBPHLRZ-KPSZGOFPSA-N	378.042	4.770	50	40	GJGB	
COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CCl)cc1	51330551	KOJNFAUILDSDAY-OAQYLSRUSA-N	378.859	4.765	50	40	GJGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1	59473204	GZONNDDBZKGVOH-XQNSMLJCSA-N	384.545	4.766	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)=O)cc3)n2)c1	1247756	WIPAVWGHJFKYAS-SFQUDFHCSA-N	375.453	4.998	50	40	GJGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc(-c2ccccc2)cc1	2736751	OIKAKHKVRSFVFL-UDWIEESQSA-N	385.286	4.942	50	40	GJGB	
Cc1sc(/C=N/NC(=O)c2cc3c(s2)CCCC3)cc1Br	12372399	AMGJWFRHEBKRKM-CAOOACKPSA-N	383.336	4.523	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C	408746248	CXKDJTAIAZEZRC-HAHDFKILSA-N	383.495	4.880	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cccc(C(F)(F)F)c3)cc2c1	409186298	ACDZHAQXSWJPQD-KSEXSDGBSA-N	376.334	4.614	50	40	GJGB	
Cc1cc(C)c(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)c(C)c1	409228437	YUCWCYLDVIOYCN-WGARJPEWSA-N	391.490	4.851	50	40	GJGB	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)n(-c4cc(C)on4)c3C)n2)cc1	32534657	JPPGLXOXPPBEHD-YBFXNURJSA-N	385.427	4.813	50	40	GJGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-]	33499636	PBBTUWWMMKAOES-VAKPMEJFSA-N	397.818	4.667	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(F)c(Cl)c1	409194645	QLAXMDJRSYSVPJ-YBEGLDIGSA-N	385.870	4.852	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)SCCS3)o2)cc1Cl	409223536	FXBSZXFUDVRDQP-RGVLZGJSSA-N	394.949	4.945	50	40	GJGB	
CCCc1n[nH]c2c1[C@@H](c1c3ccccc3cc3ccccc13)C(C#N)=C(N)O2	1438019	BZMGMELHAJNMDT-OAQYLSRUSA-N	380.451	4.887	50	40	GJGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccccc3)cs1)OCO2	1777792	XCTJQQZRTPPKMM-XNTDXEJSSA-N	389.436	4.718	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c(O)c1	3042311	LMKILAUSWDKNNE-AFUMVMLFSA-N	396.531	4.944	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2)cc1	7383924	FQXOFZNZGKYAPM-NLRVBDNBSA-N	399.494	4.630	50	40	GJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	17077863	MEELYSSJHFHCTR-XYOKQWHBSA-N	380.753	4.913	50	40	GJGB	
O=C(/C=C/NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	59489080	IAKNXJOVLIMYHI-CCEZHUSRSA-N	376.843	4.638	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1	408599243	QQSYYPNROPZWQY-MFKUBSTISA-N	398.418	4.650	50	40	GJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409384144	ADXWCVVTVMKXQH-ODLFYWEKSA-N	392.890	4.843	50	40	GJGB	
COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCCl)c1	4267318	FKYAHAPVWFJFIJ-UHFFFAOYSA-N	386.835	4.651	50	40	GJGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3O)c2C)cc1	17150210	DJSZCXNTBAHSMP-XYGWBWBKSA-N	389.499	4.906	50	40	GJGB	
N#C[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104125953	NNFIKDPFUZLFOJ-SANMLTNESA-N	379.443	4.978	50	40	GJGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc12	408999793	VVOGERISTWIQDS-OYKKKHCWSA-N	383.407	4.974	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccccc1	657848	DWTUXPWXSFHFOK-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
C/C(=N/NC(=O)Cc1ccc(Br)c2ccccc12)c1cccs1	4694184	WGKANPPEFWETEC-NDENLUEZSA-N	387.302	4.747	50	40	GJGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1O	6441737	QIEKTIWLIONJOR-NVNXTCNLSA-N	394.452	4.606	50	40	GJGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(N)=S	6658659	MERRLSPOHJAGMS-YRNVUSSQSA-N	375.862	4.592	50	40	GJGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)Nc3ccccc3)c2c1	15224577	QJGDVFAPBOXREY-HAHDFKILSA-N	377.444	4.793	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1	58927137	ZPSAMGNXZNBUMO-XTVKVDEJSA-N	389.499	4.549	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)c3ccccc3O)cc21	223504919	PFDJWPLXKYXYHW-QFEZKATASA-N	391.515	4.875	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1	408999770	SIVBMGNFYQBNJK-XKZIYDEJSA-N	396.288	4.621	50	40	GJGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(F)c2)o1	409009771	BVIGTIWFXGKVIE-QFEZKATASA-N	388.398	4.768	50	40	GJGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nn3c(C)ccc3C)c2)cc1	409381257	DZFMUMDUWWVCAD-LPYMAVHISA-N	385.467	4.670	50	40	GJGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	708568	RWKRLUXRXBVVLZ-FQEVSTJZSA-N	390.508	4.914	50	40	GJGB	
CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1CC(C)C	4149711	DYEKNKNRPOFWRB-QGZVFWFLSA-N	385.489	4.692	50	40	GJGB	
CC(C)=C[C@@H]1[C@H](C(=O)OC(C)(C)[C@H](Br)CBr)C1(C)C	4429872	INEXNAHDVGGQHF-IJLUTSLNSA-N	396.163	4.705	50	40	GJGB	
CC(/C=C/c1ccco1)=N\NC(=O)Cc1ccc(Br)c2ccccc12	4534472	DHDHJGOGYIVTPO-ONRJMHNSSA-N	397.272	4.943	50	40	GJGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1	4922882	YWRAGWHZOBPXGZ-LJQANCHMSA-N	389.524	4.777	50	40	GJGB	
COc1ccc2[nH]cc(CCNC(=O)CCCC[C@H]3CCSS3)c2c1	38358522	HYDGZQMQXIFYIO-INIZCTEOSA-N	378.563	4.549	50	40	GJGB	biogenic
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(F)c3)cc21	208463414	CCYHFEUVRQZVCP-WYMPLXKRSA-N	385.870	4.875	50	40	GJGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	9110274	HWXQOCXYBNWXMW-AUEPDCJTSA-N	398.253	4.629	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OCC)c2)cc1	59297059	SBQCEYFIPBDSIG-QGOAFFKASA-N	394.471	4.817	50	40	GJGB	
Cc1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1	226328409	VUWPGOGHJCUPQM-UHFFFAOYSA-N	379.641	4.743	50	40	GJGB	
Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCl)cc1	4837153	HKSXQSDWQMXFHP-KRWDZBQOSA-N	391.696	4.674	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)c(Cl)c1	9046786	IIBIAMFBEFKZKN-OAHLLOKOSA-N	383.238	4.602	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(F)cc1	15931401	WMUPOEANBHSABT-HMAPJEAMSA-N	399.469	4.725	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)cc(C)c1OCc1ccc(F)cc1	408858579	UEFPIGHOAHZNFL-YSMPRRRNSA-N	390.458	4.714	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408886624	KVHJBEADNODNKV-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC	408897835	UHJPWECIKMISIJ-YDZHTSKRSA-N	382.847	4.664	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1O	3526114	ZBHYMLIMFVBEGW-IZZDOVSWSA-N	396.752	4.619	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccccc3)c2C)cc1	28216173	QJUMUOOGEJDCNB-OEAKJJBVSA-N	377.513	4.645	50	40	GJGB	
COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1O	408984951	UQGHFXDKEZYEFK-XGICHPGQSA-N	377.227	4.562	50	40	GJGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)O	409020735	SQQSBHUFXFWXON-HKMIMPICSA-N	392.238	4.918	50	40	GJGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1	2697933	QXZDPKFQUMXTIV-NRFANRHFSA-N	378.431	4.788	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1	3174538	XHOIIGSKXGNKBG-UPMNJHNBSA-N	390.483	4.936	50	40	GJGB	
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(N=C=S)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	4896398	BJBNBXRABJZBCO-FIPIOZDTSA-N	389.561	4.755	50	40	GJGB	
O=C(CNc1cccc(C(F)(F)F)c1)NN=C1CCC(c2ccccc2)CC1	5572045	NWSVZQLOEFZVCM-UHFFFAOYSA-N	389.421	4.947	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1	7164587	APXWDIJJMXKRQG-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc(C)c1O	48288652	UQCKWIYEHOTDRJ-GPILYODUSA-N	391.496	4.908	50	40	GJGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(O)c3)sc2c1Cl	408972943	XEJVCHVESQGZOD-ZBKNUEDVSA-N	395.267	4.686	50	40	GJGB	
Cc1cccc(COc2ccc([C@H]3NC(=S)NC(C(C)(C)C)=C3C#N)cc2)c1	409368715	JFYZJYMNMJHDFH-HXUWFJFHSA-N	391.540	4.917	50	40	GJGB	
O=C(c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Br)CBr	575361324	XCIOLZRFKSKDFB-ZETCQYMHSA-N	394.412	4.700	50	40	GJGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)cc2)c2ccccc2n1	2090065	KZYFKEHHYJXSSQ-WGOQTCKBSA-N	395.462	4.983	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1	4671862	WPAHNNHMVKFLFR-ATVHPVEESA-N	386.407	4.807	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	15012349	AKGNVHABZQDFJJ-ZHZULCJRSA-N	385.467	4.957	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	40865640	OKPDXRYOZBJZLV-RVDMUPIBSA-N	399.834	4.973	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)o1	408803165	LXVQJSPEHAMJRW-GXDHUFHOSA-N	391.358	4.848	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)cc1Cl	408984598	JELXOUBGKLYIEJ-WUXMJOGZSA-N	376.199	4.756	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C	409065836	UQWYFGJNMXVABC-XSFVSMFZSA-N	385.467	4.957	50	40	GJGB	
CCOC(=O)/C(C#N)=C/C=C1\C=CN(CC(=O)c2ccc(C)cc2)c2ccccc21	988849	PIGHQAIYMGDTFC-JIDNDCLASA-N	398.462	4.608	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccc(F)cc2)o1	4167901	KZOAFKIPLWTUQS-LJQANCHMSA-N	378.403	4.537	50	40	GJGB	
Cn1c([C@@H]2CCCN2C(=O)CCCC[C@H]2CCSS2)nc2ccccc21	68269660	XWSHPFNKLDZRSP-YJBOKZPZSA-N	389.590	4.951	50	40	GJGB	biogenic
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(F)cc3)cc2C(C)=CC1(C)C	208512440	HBBTXXLTCGRIGK-AFUMVMLFSA-N	379.479	4.920	50	40	GJGB	
C=CCn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409391611	KBXAPRFBWQUDJR-CVKSISIWSA-N	382.467	4.543	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(C)n1-c1ccc(Br)cc1	2663595	UQDQIOVEYMHFBN-MHWRWJLKSA-N	387.277	4.715	50	40	GJGB	
CC(C)CCOc1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	4031878	IHQHZABWNWUUFD-BUVRLJJBSA-N	383.536	4.713	50	40	GJGB	
Cc1oc(-n2c(C)cc(/C=C(\C#N)c3ccc4c(c3)OCO4)c2C)c(C#N)c1C	6882042	MBRYUPUKYDOAIX-UFWORHAWSA-N	385.423	4.969	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccc(F)cc1	28217008	AANSHIIJSHBKLL-BUVRLJJBSA-N	395.503	4.866	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(C(=O)O)cc1	107737146	WQGKTWWNJDAKNT-YHYXMXQVSA-N	397.022	4.567	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccn1)[C@@H](C)CC(C)(C)N2C(C)C	223591795	ZLNGPXBFWLSVPD-YSGZUTGPSA-N	378.520	4.655	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	408805162	JALLQBYDMNGUPV-LUJYGJGBSA-N	399.494	4.887	50	40	GJGB	
COc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C(C)C	818630	PVMRIFQCNQOTOL-FQEVSTJZSA-N	380.488	4.578	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@H]1c1ccccc1	985284	GVRDPXFKHXFRDH-YWZLYKJASA-N	376.843	4.548	50	40	GJGB	
O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(C(Cl)Cl)o1	2148253	PXVRYACZMJKDMB-UHFFFAOYSA-N	376.044	4.830	50	40	GJGB	
CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nnc2ccccn12	96114751	PZONTKZYFUMIDH-HOTGVXAUSA-N	392.594	4.647	50	40	GJGB	biogenic
N#C/C(C(=O)COc1c(Cl)cccc1Cl)=C(/O)Nc1ccc(F)cc1F	100938800	HKZIDOVAMRZOOQ-YVLHZVERSA-N	399.180	4.625	50	40	GJGB	
CCOC(=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OCC	104216138	BIWURINOWKZUEZ-UHFFFAOYSA-N	378.452	4.585	50	40	GJGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1	870395	FDOMZVCTFBFASS-SFHVURJKSA-N	393.874	4.648	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1C	11289619	WEGZMHYYJPIOQU-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1C	409245992	CEFKDLNTRRILST-RGEXLXHISA-N	375.472	4.540	50	40	GJGB	
CC(C)(COC(=O)Oc1ccc([N+](=O)[O-])cc1)SSc1ccccn1	575629420	WQCUUTNIMCNOHP-UHFFFAOYSA-N	380.447	4.724	50	40	GJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccccc3Cl)cc12	793976	IPYKTFIRGVFCPS-WSDLNYQXSA-N	394.887	4.813	50	40	GJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)C(C)(C)C)cc1	7058467	JJVUCHHHFUSHSZ-CPNJWEJPSA-N	377.440	4.574	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(C(C)(C)C)nn1-c1ccccc1	16739492	FYAKOLFGVTZWTA-MYYYXRDXSA-N	399.498	4.723	50	40	GJGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408886375	GOHIUZRHSRFKIT-BJMVGYQFSA-N	380.162	4.586	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c2ccccc12	409194489	CILFCGOLFXZDIK-QVGKIPNLSA-N	385.467	4.632	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccn2)c1C	409231297	JRWLQAADODMEBT-WQRHYEAKSA-N	390.874	4.997	50	40	GJGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1C	664733	XVFDQHRCWHOEAV-MRXNPFEDSA-N	394.837	4.704	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)c2cccc(Br)c2)cc1C(C)C	59167262	SXEMOBDNFSJHNB-SRZZPIQSSA-N	389.293	4.653	50	40	GJGB	
C=CC[Si](C)(C)O[Si](O[Si](C)(C)C=C)(c1ccccc1)c1ccccc1	225752836	ANSRHAIHCLGQIR-UHFFFAOYSA-N	398.727	4.598	50	40	GJGB	
CCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2o1	408764609	UYPDMWGFUKRXJE-HYARGMPZSA-N	397.500	4.639	50	40	GJGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408809223	KSNXKVBGSYEBFL-OBGWFSINSA-N	384.435	4.959	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1	408997680	SIWPPJJJBRQDPJ-JCMHNJIXSA-N	398.462	4.810	50	40	GJGB	
O=C(NN=C(c1ccc(F)cc1)c1ccc(F)cc1)c1cc2ccccc2[nH]1	6345186	LMGHJOPNFXKXAK-UHFFFAOYSA-N	375.378	4.629	50	40	GJGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	34868942	MRVLCKAFJFETTR-OQLLNIDSSA-N	393.424	4.800	50	40	GJGB	
COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CCl)cc1	51330550	KOJNFAUILDSDAY-NRFANRHFSA-N	378.859	4.765	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	408790710	RBSQRVYUNJYHPT-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409202382	QDWLQWQEKHVRTL-WZUFQYTHSA-N	379.597	4.780	50	40	GJGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4135146	XDELDWVQNCRZNJ-LZYBPNLTSA-N	390.420	4.528	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1CC[C@@H](C)C2	4860218	ZZSMYUYNWWDDIC-IZCBMXNHSA-N	394.496	4.595	50	40	GJGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)c1ccc(Cn3cc(Cl)cn3)cc1)C2	17078631	YGYFFKUTSVRNMU-WHPMSFKBSA-N	384.911	4.517	50	40	GJGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1	32904317	DOGDCQFLPDJJDD-UHFFFAOYSA-N	392.858	4.513	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC)c4ccccc34)cc2c1	409186515	DDCBBPDNTLFPGF-QRVIBDJDSA-N	375.428	4.570	50	40	GJGB	
O=C(O)c1ccccc1[C@H](Br)[C@@H](Br)c1ccccc1	1727337	NWIXCCOPMLPXJA-KBPBESRZSA-N	384.067	4.957	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(N2Cc3ccccc3C2)c1	4456057	MKFODMGQYXVXRR-ZMOGYAJESA-N	375.859	4.624	50	40	GJGB	
CCCCOc1ccc([C@@H]2C(C#N)=C(S)NC3=C2C(=O)CC(C)(C)C3)cc1	19205219	YJYKTNLQLIVUAW-LJQANCHMSA-N	382.529	4.860	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OC(C)C	59281760	BRIJJTRTMVNKBE-CPNJWEJPSA-N	378.472	4.981	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC	409233461	SHNOCUDFRTZOCO-JQFNYASXSA-N	398.890	4.922	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c(C)c1	814499	JGPJQRQLJRYNRW-QFIPXVFZSA-N	398.510	4.639	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	9201080	ILWUGFRUATWJBJ-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CC(C)n1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20761071	PAADURGDEOGNAN-SRZZPIQSSA-N	384.277	4.749	50	40	GJGB	
O=C(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1ccc(Cl)cc1	408728791	UFXPWKWNUXGYEH-ZVBGSRNCSA-N	378.646	4.959	50	40	GJGB	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](n2cnc3ccccc32)C1	575617040	MSQJHJUSAPBFPE-JKSUJKDBSA-N	375.563	4.524	50	40	GJGB	
FC(F)(F)C(F)(F)C(F)(F)[C@H]1CCCC[C@H]1I	2386455	OPDPCHBOZHWKOZ-NTSWFWBYSA-N	378.069	4.813	50	40	GJGB	
CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3OC(C)C)[C@@H]2C1	4631561	BYHQQXBLUONIHT-PERKRYKHSA-N	386.499	4.704	50	40	GJGB	
CCCCOc1ccccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1	4677855	LOTNGBFIIOUDRE-JVPAYFMBSA-N	388.471	4.685	50	40	GJGB	
C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1	4724011	GGXGIUMSKNICCU-LFVJCYFKSA-N	378.859	4.926	50	40	GJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	7009286	HUAKKQPZQZSBNZ-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1	30734319	YLVPJZIRRXMLFP-IWIPYMOSSA-N	390.439	4.560	50	40	GJGB	
Cc1ccc2cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c(Cl)nc2c1	408728524	OCFKGKYQYYKREK-WYMPLXKRSA-N	389.842	4.819	50	40	GJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1O	408986051	ZFDPZUMZJKDRGV-WUXMJOGZSA-N	377.227	4.562	50	40	GJGB	
COc1ccc(CNc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)cc1	4106430	UGMJXTWMDIBHBG-JVWAILMASA-N	398.466	4.553	50	40	GJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2	5815610	RTOVYUYTLYGRNR-LFYBBSHMSA-N	375.211	4.576	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	7351552	QLOLGDHGBVSEKI-NTEUORMPSA-N	388.826	4.822	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	409236468	GTTYHJGZSJUFAC-ROTLSHHCSA-N	390.336	4.797	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	955322	JNMVXFAPQWPJRK-AFUMVMLFSA-N	390.483	4.809	50	40	GJGB	
N#C/C(=C1/N=C(c2ccccc2O)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1	1650177	GZZLUWFPOJQTPH-UZYVYHOESA-N	383.363	4.531	50	40	GJGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)Nc1ccccc1S2	4869460	AAAQRUKKFPGIMZ-YDZHTSKRSA-N	375.453	4.754	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(F)c3)CC(=O)N2C1	4923500	LPBGVYYKDRLMQU-SFHVURJKSA-N	393.487	4.608	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	6341951	ATDGBGUMQRWYJU-GHRIWEEISA-N	382.435	4.949	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccccc1Cl	14923333	AIYRIUCTYOSPRG-LSHDLFTRSA-N	398.677	4.781	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	33596549	ZOILAIPLKMUGFB-CIAFOILYSA-N	391.408	4.833	50	40	GJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12	59146837	LRZLCBDUFQDRDG-SSDVNMTOSA-N	384.888	4.582	50	40	GJGB	
CC(C)n1c(CNC(=O)CCCC[C@H]2CCSS2)nc2ccccc21	96115482	FBIZLDMQKUWVQM-HNNXBMFYSA-N	377.579	4.948	50	40	GJGB	biogenic
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	1453931	JJPZNXAJLKMRRO-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
CCCCCCOc1ccc(/C=N/NC(=O)COc2cccc(CC)c2)cc1	4071172	OFXZQMCXBIGVEW-JJIBRWJFSA-N	382.504	4.737	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NCc1ccco1	6220461	IXOHHYZUXWXXEX-GXDHUFHOSA-N	397.228	4.525	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	6959722	RTSILPUBMPZEKL-XMHGGMMESA-N	376.456	4.758	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl	16136599	DQOKZHUPTTYUMD-YVNNLAQVSA-N	393.299	4.502	50	40	GJGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(Br)cc1	20248123	PDRCEMDWAJHMMB-GNUZOCDUSA-N	391.334	4.611	50	40	GJGB	
CCOc1cccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c1	44024410	FSZWMAKVTLEQSA-GXDHUFHOSA-N	377.469	4.739	50	40	GJGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(Br)cc1	59473299	FZXWNONNSVHXDW-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2cc1C	107932527	XAUZVKFLNUPCLM-QPEQYQDCSA-N	397.232	4.915	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1cccc([N+](=O)[O-])c1	33600087	PGBXFCBHASNOCO-UITAMQMPSA-N	398.010	4.777	50	40	GJGB	
Cc1ccc2c(c1)N(c1ccc(Cl)c(C(F)(F)F)c1)C=C(C#N)S2(=O)=O	44167428	TUZPHAFNRHKREC-UHFFFAOYSA-N	398.793	4.958	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C	208227066	CQSHBHKKYJOOSZ-SGMWPGOQSA-N	394.519	4.881	50	40	GJGB	
C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1cccc2ccccc12	409353239	ZIVJBGANFGWCEK-OEAKJJBVSA-N	396.288	4.555	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)n1-c1ccccc1	3279573	VCUUPHPHWQCDOU-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC	6959656	WKKJXKMPRSGIGQ-SRZZPIQSSA-N	381.259	4.555	50	40	GJGB	
Cc1cc(C)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)c1	83309263	GODQEBPKYWJGMM-FBHDLOMBSA-N	385.261	4.884	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Cl)c2)c1	408746180	YABRPOMTYLSPDT-ZSOIEALJSA-N	386.238	4.750	50	40	GJGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1	408842759	KOPCUCYJIFKGEK-OTTZHNOWSA-N	395.462	4.768	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408873829	XEWWEZPKIOLPGJ-WUXMJOGZSA-N	391.652	4.657	50	40	GJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(N)=O	408874979	FWXQBOVIANNVFL-LFYBBSHMSA-N	381.646	4.618	50	40	GJGB	
C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(Br)cc1	33326428	CZNOEMDDQMZFAY-OEAKJJBVSA-N	396.288	4.555	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1	108651202	AZSHKEVDENYQIK-OYKKKHCWSA-N	378.859	4.991	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	408810510	KVVBJLHYRPTDRR-WKSXIXGESA-N	380.447	4.636	50	40	GJGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	409047115	MSVKFLDAYZUVLT-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1	2053888	DJSZCXNTBAHSMP-PCLIKHOPSA-N	389.499	4.906	50	40	GJGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2797520	MGGUSLPXLBXHKN-XYOKQWHBSA-N	380.753	4.913	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1	5860513	DIARBBMVROYZMD-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1	6965018	GIJNNKOIFGZDHH-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1	12844001	GZHOYLYOEXYXRH-PCLIKHOPSA-N	395.547	4.767	50	40	GJGB	
COc1ccc(/C(C)=N/NC(=O)c2sc3ccccc3c2Cl)cc1OC	13562544	DNSSEMDZZUVARZ-SRZZPIQSSA-N	388.876	4.726	50	40	GJGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2nccs2)cc(C(C)(C)C)c1O	27579432	YURBXTJQOZPKSZ-ZROIWOOFSA-N	383.517	4.989	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408565874	BYMCGNVOUQDTBZ-ZVHZXABRSA-N	399.406	4.674	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccnc2)c1C	408787184	UBSQHRVTQMMIAN-WQRHYEAKSA-N	390.874	4.997	50	40	GJGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409239733	PZMZJPPEQTUBBS-MXAYSNPKSA-N	397.881	4.888	50	40	GJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc2ccccc2c1	716828	CHVFQHRDEPJVNN-CIAFOILYSA-N	377.494	4.692	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccccc1F	1282692	YUVZHFNSYKQLIJ-GZTJUZNOSA-N	379.460	4.518	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	28217341	YUWFNPSTNBMUCJ-ZMOGYAJESA-N	395.503	4.784	50	40	GJGB	
N#C/C(=C\c1ccc(OCCC(=O)O)cc1)c1ncc(C(F)(F)F)cc1Cl	44026520	SPNKHYSYQSTTQU-KPKJPENVSA-N	396.752	4.671	50	40	GJGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(C=C(C#N)C#N)c1Cl	408820323	VNGFKIYSRLKYEP-UHFFFAOYSA-N	376.199	4.937	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)c(C)c1	4592633	KZMRVPCOFBGGSB-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1	5621007	UAVVVFCGDNMODH-JVWAILMASA-N	396.450	4.574	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	40961683	QCFFAGLQTSJAJD-FYJGNVAPSA-N	376.909	4.761	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc21	208450866	YZFNHHNHHKYFPP-UNOMPAQXSA-N	377.532	4.983	50	40	GJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)c1	408567344	LYIRMTIOPJAVTD-UUYOSTAYSA-N	381.435	4.817	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	408744676	MMQLMHDLVIBDLQ-DHDCSXOGSA-N	385.250	4.860	50	40	GJGB	
COc1ccc(Cl)cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408905356	XSTFVSHIDNSEHF-OCKHKDLRSA-N	396.672	4.575	50	40	GJGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1	409019607	UXTPLUGKJHVSMT-FOKLQQMPSA-N	384.222	4.889	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c1O[C@@H](C)C(=O)O	409244436	CQLIYAFKQATDOS-GQVHDAKQSA-N	391.345	4.630	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OC	409369373	LFKGQEPSTNITAW-PXNMLYILSA-N	383.245	4.792	50	40	GJGB	
O=C(N/N=C/c1cccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1	685651	IPSPKMJBPCLUGN-YDZHTSKRSA-N	381.888	4.791	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)c(Cl)c1	4815547	CUWZDLOJCUOSAL-WSDLNYQXSA-N	398.871	4.693	50	40	GJGB	
CC(C)c1ccc(-c2nc3cc(N4C[C@@H](C(=O)Cl)CC4=O)ccc3o2)cc1	57327057	ANXMVUMTYKRLBQ-HNNXBMFYSA-N	382.847	4.737	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	58871462	PPLNXYLDHRQBNF-LPYMAVHISA-N	397.818	4.591	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1	83327508	BAOMMUXESGITPV-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N/N=C/c5cccs5)(C4)C2)C3)cc1	100845901	ZKCLDHGZBIGXHX-LSDNQJEYSA-N	393.556	4.980	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OC(C)C)c1	408799942	JPDBFLNROMRGIA-CXUHLZMHSA-N	384.863	4.990	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC#N	408983699	NNGTYPKBFRVXKA-AQTBWJFISA-N	391.858	4.825	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408986266	PGWUGXKNJDRCDC-YBFXNURJSA-N	379.456	4.670	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1	33699938	BARZEUZZDZIXSI-UYRXBGFRSA-N	395.418	4.904	50	40	GJGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl	40139606	FYWIVCLFMJAMTE-NTEUORMPSA-N	383.238	4.725	50	40	GJGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)n2)cc1	44827407	JTOOVMHWRWWNFP-OQLLNIDSSA-N	393.424	4.887	50	40	GJGB	
COc1ccc(Oc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1	408723791	NNASGLIXVGNUHJ-OEAKJJBVSA-N	380.831	4.905	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2ccccc12	3036663	ZWLLDQOPNVVQQS-WGOQTCKBSA-N	398.462	4.921	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1	408588614	JDOKFCHRIVJJBA-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O	409143001	SVKZNADULFGEGE-DNTJNYDQSA-N	387.650	4.515	50	40	GJGB	
Cc1ccc(NC(=O)CSSCC(=O)Nc2ccc(C)cc2C)c(C)c1	2243741	JDPZICUMCFKEAM-UHFFFAOYSA-N	388.558	4.879	50	40	GJGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1ccc(Cl)cc1	2849073	RDBRGYKZNLWBMY-NTUHNPAUSA-N	392.636	4.630	50	40	GJGB	
N#CC1=C(N)S[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1	16034561	QUCGQQOMMYOSLR-VFTIKCAPSA-N	382.504	4.504	50	40	GJGB	
CCOC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	95682179	MHIXMSZUXYOTFV-UHFFFAOYSA-N	391.471	4.714	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CC1	207051585	ZCNSTZQCHIWOPW-OQLLNIDSSA-N	387.266	4.758	50	40	GJGB	
O=C(CCl)Nc1cc(-c2nc3ccccc3s2)ccc1Br	226328332	JTERZCPSWWSOCB-UHFFFAOYSA-N	381.682	4.903	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Cl)c1	408789798	LQSHITGYTFWCLX-RIYZIHGNSA-N	386.238	4.750	50	40	GJGB	
O=C(O)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408963362	AJAMQBJKDAEVDX-ZBKNUEDVSA-N	393.251	4.670	50	40	GJGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc(Br)ccc1F	664352	WKKVCOIJWWQRCP-GOSISDBHSA-N	395.231	4.960	50	40	GJGB	
C[C@@H](Sc1ncnc2sccc12)C(=O)/C(C#N)=C1\Nc2ccccc2S1	23561806	PPRRNPNWEFDLDW-LFAWPXTESA-N	396.522	4.694	50	40	GJGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Sc3ccccc3)o2)c1	408997412	OJVZEWRRRYLLEG-UCQKPKSFSA-N	394.496	4.831	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	409198659	JESKALMSBJCARH-PFRKPPGBSA-N	390.874	4.505	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1	409370426	QOZWLPGQOWPWGL-MOSHPQCFSA-N	385.467	4.962	50	40	GJGB	
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccc(Br)cc1	2305048	VQQCWJOKBTWVIO-KRWDZBQOSA-N	391.696	4.785	50	40	GJGB	
COC(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	4091877	PNBDQCVNORFBMY-LSHDLFTRSA-N	390.270	4.995	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1	5420542	LMQNQEMLDAKHBH-OEAKJJBVSA-N	384.545	4.866	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(F)cc1	36166489	BJKDXMYLCVRZEY-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1	6248066	RDYRCRGTZSAKCU-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
Cc1cccc(COc2ccc([C@H]3NC(=O)NC(C(C)(C)C)=C3C#N)cc2)c1	409370085	KTDBFXFXAMXKKA-HXUWFJFHSA-N	375.472	4.752	50	40	GJGB	
CC(C)OC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1	948271	QCFUVUUGDURVCO-DEDYPNTBSA-N	376.456	4.921	50	40	GJGB	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	3310543	RXJDCZJUBXQZON-UHFFFAOYSA-N	381.819	4.600	50	40	GJGB	
COc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	4083522	XGMDKPXPSTZNPD-FYWRMAATSA-N	377.831	4.685	50	40	GJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1cccc2ccccc12	8382644	WWGMSLDGQLCPBW-LJQANCHMSA-N	382.398	4.587	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1	408738472	YFVZRFIMHJQNDU-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408804492	ALMMVDNYQMBSSN-GHRIWEEISA-N	399.406	4.858	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408962454	SHLUTEPXQLBOLY-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1	408981120	ZNYKHQZJQVVJLK-WOJGMQOQSA-N	378.863	4.808	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	4797825	PCOGTKLEVHKQAL-PDGQHHTCSA-N	388.383	4.975	50	40	GJGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(NC(=O)c2ccccc2)cc1	12752797	LTZMLYKXXDQOBX-UHFFFAOYSA-N	399.372	4.715	50	40	GJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1	33652741	FLSKGMIXYHQAFT-WCIBSUBMSA-N	379.597	4.780	50	40	GJGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccncc1	59488967	TWZXBMIXCBTSOF-MSUUIHNZSA-N	397.441	4.616	50	40	GJGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCc1ccc(C)cc1	408734987	IHZOSKWXTVTUCJ-IWIPYMOSSA-N	389.455	4.738	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC	408990108	MOHFXRMQTDMUSX-GZTJUZNOSA-N	396.874	4.940	50	40	GJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1	830517	PASIWZNCTHLUAB-YDZHTSKRSA-N	398.846	4.528	50	40	GJGB	
Cc1ccccc1N1C(S)=C(C#N)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1	19810087	LNAYGBYIGFSWPL-IBGZPJMESA-N	377.513	4.593	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1	59425684	SZBJKKUQPFSCMY-YDZHTSKRSA-N	398.846	4.675	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc([N+](=O)[O-])ccc3F)n2)cc1	102462023	UPMACSHVTDYSFC-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
O=C(/C=C\c1ccco1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	110335975	JMOYNAGELJSVHV-HNENSFHCSA-N	397.434	4.856	50	40	GJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc21	208438517	UDDZONSJDQYDAM-CFRMEGHHSA-N	397.906	4.501	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)c1	1056581	VNAKYMMNBLWVIQ-FQEVSTJZSA-N	389.524	4.997	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccccc1	1073687	XCZZEZJUMRMVNF-XOBRGWDASA-N	376.843	4.548	50	40	GJGB	
CCCCCCc1cc(C(=O)N/N=C/c2ccccc2O)c2ccccc2n1	1681722	LRQQSZRGGIWNLR-LFVJCYFKSA-N	375.472	4.827	50	40	GJGB	
O=c1ccc2cc(/N=C/c3ccc(N(CCCl)CCCl)cc3)ccc2o1	1698338	KVCCZWCGZPFFCN-OEAKJJBVSA-N	389.282	4.828	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC	33921978	UROKZENYCBJYBM-CFVCMMAASA-N	394.515	4.645	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)c1	408692273	IWZOTKYHPVUHIV-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc2ccccc2c1	408751602	AIUOKOSPEWSLEX-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
CC1CCN(C(=S)c2ccccc2OC(=O)/C(C#N)=C/c2ccccc2)CC1	408754424	UHDZGXOPTPBOAY-XDJHFCHBSA-N	390.508	4.607	50	40	GJGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408794785	JYYKCFOIFPTTIX-CPNJWEJPSA-N	399.406	4.719	50	40	GJGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1	4544641	BAPJIQNYUGMWLI-BHGWPJFGSA-N	381.794	4.683	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c(OC)c3)n2)cc1	4795231	XUUPJPJDKLEQRZ-YBEGLDIGSA-N	378.453	4.900	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C2\CCCC[C@H]2C)c(C)cc1Br	4863629	IQZFKPGBPGKRGK-RFEBSHCTSA-N	383.355	4.840	50	40	GJGB	
Cc1ccc(C(=O)/N=C2/C(C(C)C)=C(Cl)C(=O)[C@](C)(Cl)[C@H]2Cl)cc1	26787243	ABIPCUBDUAJZSG-HWZVWSLLSA-N	386.706	4.913	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	208249436	ILWDKQCODCDDNN-FIKYGGOLSA-N	399.922	4.835	50	40	GJGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccco1	409138033	YZJFJGWMOYHAJU-LBPRGKRZSA-N	379.268	4.858	50	40	GJGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(Cl)cc3)c2c1	685570	LDEMEIWAQMLELB-SSDVNMTOSA-N	383.904	4.747	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1C	4922650	VVCPGYRRJMXZMQ-IBGZPJMESA-N	393.487	4.662	50	40	GJGB	
Cc1cc(C(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F	5577766	FVGXAWFUJIVNDK-GZTJUZNOSA-N	389.386	4.931	50	40	GJGB	
COc1cc([C@H]2N=C(O)C(C#N)=C(S)N2c2ccccc2)ccc1OC(C)C	9012306	VTJWFHDGTVCQGD-IBGZPJMESA-N	395.484	4.623	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)c1	58926558	PTHVZCVHTJWESI-ZVHZXABRSA-N	391.540	4.786	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408581222	VESXRSYGSMKBBO-SFQUDFHCSA-N	382.257	4.924	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccncc1	6536615	HDCXQONCRHJNOA-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C\c2ccccc2)C1	19816187	PVPCBLLASQCJLC-CBIIRDDDSA-N	383.495	4.558	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)o2)c1	33936157	OHPYHMRVUXCRBR-ATVHPVEESA-N	383.407	4.982	50	40	GJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)c2nc3ccccc3[nH]2)c1C	96314621	HEASCQSQEXNGII-YAJBTMAUSA-N	376.460	4.603	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1	102026029	HHDBAMGZJYSNFS-XLIONFOSSA-N	389.524	4.771	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	408791736	BRJWRVUPQAEAQP-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OC	408877037	SLVDJNGJFREVHF-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)c(C)c1	408915297	ZEUPTSZSTSWNGD-MFKUBSTISA-N	394.446	4.876	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408966784	OBZWEFGGVWWBGI-CVKSISIWSA-N	382.467	4.715	50	40	GJGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1C	949268	XTYIHHVWKPESCG-LICLKQGHSA-N	382.485	4.821	50	40	GJGB	
Cc1ccccc1NCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	1261628	YKNXFUMYCUGZDN-JFLMPSFJSA-N	396.494	4.560	50	40	GJGB	
C[C@@H](CC(C(=O)[C@@H](C)Br)(c1ccccc1)c1ccccc1)N(C)C	1593252	NTOOIIIBTHLCIJ-DLBZAZTESA-N	388.349	4.665	50	40	GJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1	5752367	LBMVGIGEDANQIS-SAPNQHFASA-N	385.379	4.933	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	14134879	JPTDZXYSLJDRJL-CVKSISIWSA-N	385.442	4.522	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1CCC(C)C	15355335	LAQVUWRYQUAOMY-QLGNDSFESA-N	383.319	4.795	50	40	GJGB	
O=C(N/N=C\c1cccc(Cl)c1)c1cc2cc(Br)ccc2o1	83308622	GHPPBYCRYAEKMW-OCKHKDLRSA-N	377.625	4.613	50	40	GJGB	
O=C(/C=C/NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	408975242	LBLGFZOFCRDMDG-CCEZHUSRSA-N	376.843	4.638	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	409362702	SMTHKVCUPXBJHV-DHRITJCHSA-N	386.373	4.967	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c(C)c1	814500	JGPJQRQLJRYNRW-JOCHJYFZSA-N	398.510	4.639	50	40	GJGB	
CCCc1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	3088807	LNYXBRZQSOPQIK-KOEQRZSOSA-N	388.467	4.961	50	40	GJGB	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccccc1Cl	3148304	PDMKWUWCAHGIMK-IFRROFPPSA-N	392.069	4.829	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)o1	3614190	DDZYLPLAGBBLTL-DTQAZKPQSA-N	386.407	4.587	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(OC)c3OC)n2)cc1	6441583	KCJCWXNKJZMSIS-WJDWOHSUSA-N	378.453	4.900	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccs3)o2)c(Br)c1	8368426	FVQNPDKZQIMXPV-GRSHGNNSSA-N	389.274	4.843	50	40	GJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1	33780395	QMBMOFSGNCDFAS-ZHZULCJRSA-N	385.467	4.908	50	40	GJGB	
CC(=O)Oc1ccccc1/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	44835354	QFFMPSWKIIVNTO-LZYBPNLTSA-N	390.420	4.528	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c1	208251926	ZUIMWBFLZNMMOD-KIQCMGJBSA-N	399.922	4.835	50	40	GJGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1C(F)(F)F	2097117	LZLNSMBLKRVZED-XHCMJAMOSA-N	386.373	4.776	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1O	4175007	PLKKAUNYAKPRLS-OVCLIPMQSA-N	393.424	4.887	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	9201085	DTGYTAFQVXUXBS-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(C)c2)/C(=C/c2cccc(C)c2)C1	19816182	XMNQVZOSMQCFES-GXPYYPFNSA-N	397.522	4.784	50	40	GJGB	
CCCCCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC	31783771	WROFQHLAXIHBIB-ZHZULCJRSA-N	399.512	4.911	50	40	GJGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	34719011	LXLHULFRQRFDPB-UUYOSTAYSA-N	397.818	4.509	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	40961825	WGFBSIVKXPEYKT-BUVRLJJBSA-N	390.508	4.816	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C	260569898	SWXJPQXIZGPFSW-NFXIUMSZSA-N	393.531	4.798	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408758473	KNYKZEVEZYUJMH-PTNGSMBKSA-N	383.245	4.560	50	40	GJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	409361726	HVGVVMBIWXSIAX-FOKLQQMPSA-N	388.254	4.816	50	40	GJGB	
CCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OCC	2609006	DSQGVDWWXRQBDD-NTUHNPAUSA-N	385.416	4.791	50	40	GJGB	
COc1c(O)cc(/C=C(/C#N)c2nc3ccccc3s2)cc1Br	4980387	BZKULRZPJFBSDK-WDZFZDKYSA-N	387.258	4.837	50	40	GJGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/C=C/c2ccccc2)c1	409004461	XDLKRFBGBQJPDR-AWFDLPEMSA-N	383.451	4.676	50	40	GJGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	2792931	YJWMFWKBQXNAIN-VULFUBBASA-N	399.416	4.806	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C2Nc3ccccc3N2)o1	5738810	IFKNZBFPGWVJEL-JLHYYAGUSA-N	388.383	4.634	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1F	15188305	SJFOJACINARUDM-ACCUITESSA-N	377.331	4.540	50	40	GJGB	
Clc1c(-c2nnc3n2C[C@@H](CBr)S3)sc2ccccc12	16769892	ZCBGUDZWGMTGPA-SSDOTTSWSA-N	386.727	4.682	50	40	GJGB	
O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	89780799	SIHIMUMABXBROD-QGZVFWFLSA-N	392.242	4.555	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)cc1	408691485	AKZRGQFQNLUKKK-VBKFSLOCSA-N	383.407	4.690	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc2ncccc2c1	408967209	QUMVCDFXPZSMOI-STZFKDTASA-N	398.510	4.998	50	40	GJGB	
COc1cc2c3c(c1)/C(=C(/C#N)c1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C	4702851	FDKOXIXMDIEQPQ-LVZFUZTISA-N	396.450	4.548	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)cc1	4922615	ZDKRDZYUNKTPIW-LJQANCHMSA-N	375.497	4.523	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c(C)c1	6266506	NTJAEPVXGJVIQY-JOCHJYFZSA-N	387.458	4.747	50	40	GJGB	
O=c1oc2cc(OCCBr)ccc2cc1-c1ccc(Cl)cc1	6760817	YAMNMJGPYXYZBV-UHFFFAOYSA-N	379.637	4.887	50	40	GJGB	biogenic
N#C/C(=C/Nc1ccccc1Br)C(=O)Nc1cccc(Cl)c1	57414156	SBZBTTAVTPVDFL-KHPPLWFESA-N	376.641	4.561	50	40	GJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1C	408965785	INPXGXIMJAKLOK-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1I	409392634	NABPOSPHDCJRJC-ZSOIEALJSA-N	393.199	4.893	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	1801277	FLIRRGQRNWEOGK-PCLIKHOPSA-N	386.499	4.722	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	108087812	PGQBBJOTZJAJAV-UNOMPAQXSA-N	377.463	4.897	50	40	GJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408890357	RUJDAVDEYGJGOI-OQLLNIDSSA-N	399.834	4.829	50	40	GJGB	
CC1=NN(c2ccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)cc2)CC1	40128283	NCLGLVQNMGGKDE-UHFFFAOYSA-N	397.693	4.990	50	40	GJGB	
O=C(N/N=C/c1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1	58650686	SVNNESYHGSEXJB-YDZHTSKRSA-N	381.888	4.791	50	40	GJGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1	1261261	PMRUOFAXPVNGEX-FOWTUZBSSA-N	375.453	4.882	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)NCCc1ccccc1	5559596	CDSVGYLLNORJAB-XQNSMLJCSA-N	382.463	4.531	50	40	GJGB	
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1cccc(F)c1	2749114	GRCDWLIMBGBCGC-PXMKGOGNSA-N	392.478	4.762	50	40	GJGB	
Cc1cccc2cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c(Cl)nc12	15231206	PNLGIOLFZGDTSE-WYMPLXKRSA-N	389.842	4.819	50	40	GJGB	
Cc1c(Br)c(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccccc1	59104632	PMMVTQXFBVMHHY-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	59473295	RKYRTUUSGUDSTM-CNRHGSOZSA-N	376.909	4.760	50	40	GJGB	
Br[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1S[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br	217402361	SSHGJJMUKDEIMS-MMUYANBASA-N	380.189	4.844	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1	408875092	CVPLXXVTLCFXON-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409119254	RZQSMIPWIMPUQY-UFFVCSGVSA-N	397.327	4.776	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccc(C)cc2)cc1	409233331	FPLGMSXZFUKLTI-HZHRSRAPSA-N	376.481	4.919	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	4742849	JTORYCJGTIZNQS-YBEGLDIGSA-N	386.432	4.989	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1F	6258603	RTJVCVNVPLTYQX-DEDYPNTBSA-N	397.409	4.822	50	40	GJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	408813552	XWMYDMMRYQWIGY-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1	408952168	KTQMILKCEDVXIX-MNDPQUGUSA-N	384.483	4.651	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)o1	408961236	LNLYHLYCFYSSGP-JJFYIABZSA-N	397.818	4.762	50	40	GJGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Br)c1	2766094	AABXSSYDVFTDSK-KOUDTOEKSA-N	397.272	4.520	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1	5568566	CRUOOKQKTRIEAX-MYKKPKGFSA-N	376.309	4.868	50	40	GJGB	
COc1ccc2cc(/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)ccc2c1	13135214	IBLOGDPJGUHPPS-RGVLZGJSSA-N	383.856	4.840	50	40	GJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)SCCS1	1105258	QTNCXTYIKQMODR-YBFXNURJSA-N	380.922	4.636	50	40	GJGB	
Cc1ccc2[nH]c(SCC(=O)/C(C#N)=C3\Sc4ccccc4N3C)nc2c1	4958437	KEEQZDFWJPVJQT-UYRXBGFRSA-N	392.509	4.510	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	5431666	YTBRRJLCWXHKDU-HADWXUJASA-N	376.909	4.760	50	40	GJGB	
Clc1c(-c2nnc3n2C[C@H](CBr)S3)sc2ccccc12	16769890	ZCBGUDZWGMTGPA-ZETCQYMHSA-N	386.727	4.682	50	40	GJGB	
O=C(N/N=C\c1cccn1-c1ccccc1F)c1cc2cc(Cl)ccc2o1	33306008	NBSOBVBCLRSMRA-FMCGGJTJSA-N	381.794	4.780	50	40	GJGB	
FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528842	DSJZTSOELAKZOO-REOHCLBHSA-N	391.974	4.575	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccn1	408723046	PTYBOTBYOXJBTF-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
CC(=O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1	1857794338	HNYBCECMDHHFAB-DEOSSOPVSA-N	388.583	4.893	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2OC)cc1	5586105	ZNIMDLMMHYCBHN-XMHGGMMESA-N	377.488	4.649	50	40	GJGB	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1	6627129	WQTHYXNVNGVADR-JOCHJYFZSA-N	398.510	4.639	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)cc1C	33467447	OJABFSWSLBPAFF-UNOMPAQXSA-N	377.463	4.897	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc2ccccc12	33648071	YJPOFUPZAPSWHS-MFKUBSTISA-N	375.447	4.651	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1	408734326	UWQOZXKLXGDGAX-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1OC	4150442	FSIATFQWPNBOSZ-HXUWFJFHSA-N	392.842	4.729	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1	4550410	XCLKRXBKFCIQBH-OVCLIPMQSA-N	389.810	4.537	50	40	GJGB	
CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	20033054	WHYQJEBNEMPQOI-NRFANRHFSA-N	390.508	4.879	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccccc1	408784245	UXVUJZSNERUQSI-MOSHPQCFSA-N	398.418	4.509	50	40	GJGB	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1	409232790	PYTARBQHDCVZJN-QWQBBLJPSA-N	384.483	4.582	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccccc1	1073688	XCZZEZJUMRMVNF-VBKZILBWSA-N	376.843	4.548	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1	4922968	IBORPQVTYHMDFL-QGZVFWFLSA-N	395.915	4.868	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Cl)cc1	408967422	QNRYZGXHLIDDMZ-ROTLSHHCSA-N	394.837	4.522	50	40	GJGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409204809	KVQLHZOUBYNBFF-LPYMAVHISA-N	384.888	4.673	50	40	GJGB	
N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc(-c2ccc(Cl)cc2)cs1	2235282	TTYYBJWJDMRTCU-FMIVXFBMSA-N	397.843	4.844	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1	4922723	GTYIMLVBHLGGPT-GOSISDBHSA-N	393.487	4.608	50	40	GJGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1sc2ccccc2c1Cl	55071887	UGKCEIMOAUTXHA-UHFFFAOYSA-N	397.931	4.937	50	40	GJGB	
CCCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1	2745554	VHUWULKFPDPAIR-DEDYPNTBSA-N	399.329	4.754	50	40	GJGB	
Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	4739276	XGTQHJFPVNEQDD-AFUMVMLFSA-N	389.421	4.768	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3cc(Cl)c(OC)c(OC)c3)c2c1	98008675	GWXNWLRKNMFOAC-MLPAPPSSSA-N	396.830	4.637	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1	223545300	JOQVJZUBKQNAOQ-STPJHCLOSA-N	393.531	4.960	50	40	GJGB	
Cc1ccsc1/C=N/NC(=O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1	409159263	VOVJSLQOTZUHPV-KEBDBYFISA-N	398.315	4.622	50	40	GJGB	
CC1=C(C#N)[C@@H](c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O	988632	VOGKFBWYUAVSCC-QGZVFWFLSA-N	377.241	4.541	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1	4922675	CWPHIVKGUVYNAG-SFHVURJKSA-N	393.487	4.608	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(=O)O)c2C)o1	4975321	CKSWOKSTBVFNDN-VBKFSLOCSA-N	386.407	4.807	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1	59334751	VDMCJGIUFFFHLE-UYRXBGFRSA-N	380.875	4.643	50	40	GJGB	
CCCO[C@@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@H](C)C1	225662347	WCGUGFSLHVGIIA-KXBFYZLASA-N	398.341	4.774	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1	252501699	UHYUASUNSZJEOS-XNTDXEJSSA-N	391.358	4.848	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC	408815183	GXBFGNLYTBLMLM-XDJHFCHBSA-N	396.446	4.715	50	40	GJGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccccc2)cs1	2202120	RNQINFRKYXZLQR-SSZFMOIBSA-N	375.453	4.963	50	40	GJGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@H]12	5482670	CIARANHFRXRNDF-SQGPQFPESA-N	399.281	4.639	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	20248620	VHYRUABXBRTMDW-LPYMAVHISA-N	389.952	4.570	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1	408592113	XRHGRTYODSIWSE-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC	408797027	ZWZKZFWXWUGZAC-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
CCOC(=O)c1c(-n2c(C)cc(C(=O)CCl)c2C)sc2c1CCCC2	1466057	OWOIGNXAMBTLDB-UHFFFAOYSA-N	379.909	4.633	50	40	GJGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1sc2ccccc2c1C	4744898	WRRVKQJEAXTONL-HNNXBMFYSA-N	396.493	4.584	50	40	GJGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	83326012	CJYKDXYKKIADGQ-WQZUMXOESA-N	382.847	4.564	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208193427	IEARJJVXAXTHRF-JNCAFBRLSA-N	380.492	4.573	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC	408757339	YRAPLUNCRPBOIA-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(OCC)c1	409161833	QEUFNWWOGVNGSF-SRZZPIQSSA-N	381.259	4.555	50	40	GJGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12	409194491	CILFCGOLFXZDIK-WGLQLPMYSA-N	385.467	4.632	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(C#N)cc1	5834140	UAAWGUKXLDKFGI-CVKSISIWSA-N	380.407	4.520	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C/c3c(OC)ccc4ccccc34)cc2c1	6964476	JVIULYATIZRDBH-ZVHZXABRSA-N	388.423	4.757	50	40	GJGB	
CC[C@H](Br)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1	26522298	AEDPCMOIJFCKBN-HNNXBMFYSA-N	391.696	4.944	50	40	GJGB	
CCCCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	97441280	QCPMQDKXTOMVAO-UYRXBGFRSA-N	375.877	4.857	50	40	GJGB	
COc1cccc(/N=C/c2ccc3c(c2)[C@@H](c2ccccc2)C(C#N)=C(N)O3)c1	100668802	QOZTVAYVSPXOOY-QNBNLKTOSA-N	381.435	4.664	50	40	GJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3ccccc3)c2C)c1	223168970	OVBVRKQDRCORDK-JLPGSUDCSA-N	397.522	4.977	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccccc1	408777598	CZBKMGGZUNIFTG-KOEQRZSOSA-N	382.467	4.649	50	40	GJGB	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	409232789	PYTARBQHDCVZJN-GFHXCNCHSA-N	384.483	4.582	50	40	GJGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2c1C	876497	UZVFCXFFZXPQIL-OAQYLSRUSA-N	393.446	4.516	50	40	GJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	1320216	ODUCKOWEBIVXHO-PGCIDKTFSA-N	395.286	4.742	50	40	GJGB	
COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)c2ccccc2)cc1	4672367	SZZSFNMCPCGXLZ-HMMYKYKNSA-N	383.403	4.704	50	40	GJGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3ccccc3)o2)cc1	4739414	ULYVIBKSJSMQNM-BKUYFWCQSA-N	398.509	4.682	50	40	GJGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1	4922878	YWRAGWHZOBPXGZ-IBGZPJMESA-N	389.524	4.777	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1	9201719	VXWRWIGBFIXIDD-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CCOc1cc(C(=O)N/N=C2/C[C@@H](C)CC(C)(C)C2)cc(OCC)c1OCC	35153821	ULNPFEBKQPYDBP-JRCVOMKHSA-N	390.524	4.815	50	40	GJGB	
N#C/C(=C/Nc1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1	57414160	HTEDIBOTCDAQQI-KHPPLWFESA-N	376.641	4.561	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)cc1	59137241	AXFIUEGKEOVKOX-PDGQHHTCSA-N	389.430	4.788	50	40	GJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408812717	NJOIPBLNOVQGCC-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccccc1C#N	2708477	CPOZWENUBKQXFM-XDHOZWIPSA-N	390.402	4.912	50	40	GJGB	
Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1sc2ccccc2c1Cl	3384487	LZRMDUQVTDQWGX-UHFFFAOYSA-N	381.284	4.778	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c1C	4675634	MTACGEVNYFXVTC-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
C/C(CCc1ccccc1)=N/NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1	6207043	RYEAHKTYDHTJGT-DIBXZPPDSA-N	399.494	4.986	50	40	GJGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1cccc(Br)c1	59473033	TZBHQJQYOQHLNY-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)NC3CCCCC3)c2c1	408785032	FLDQXZFXAYQDBR-JXAWBTAJSA-N	392.499	4.993	50	40	GJGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	657013	YEXMLGQGMVNWGE-SSDVNMTOSA-N	392.286	4.742	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	28217339	BVUCCGCAQSVUFD-ZMOGYAJESA-N	395.503	4.784	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCC	59335700	JCTSROPBGDWPRS-UYRXBGFRSA-N	376.456	4.677	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccn1)[C@H](C)CC(C)(C)N2C(C)C	223591855	ZLNGPXBFWLSVPD-NFXIUMSZSA-N	378.520	4.655	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1OC	409221547	RUOLROBJSSRRCN-HKWRFOASSA-N	389.499	4.794	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2O)cc1OC	2670485	BMBSAYRCXCAQDB-GHRIWEEISA-N	380.444	4.515	50	40	GJGB	
Cc1ccccc1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3)CSC2=C1C#N	4922602	INSFAVXNRIBVIX-GOSISDBHSA-N	395.915	4.868	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CC1	17079042	MMNNKKPDWCZXHR-NVNXTCNLSA-N	387.266	4.758	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(Cc3ccccc3)c2C)cc1	20198185	FEGMWQKYLYXUNK-PCLIKHOPSA-N	389.499	4.706	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCCC(C)C	33390382	WBUUXDHVNGPTKI-ATVHPVEESA-N	382.435	4.805	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	59297429	LYRPLEWHKQNARZ-RVDMUPIBSA-N	398.850	4.640	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3C)c2C)cc1	107630427	FTIGLALEXZRYDQ-IWIPYMOSSA-N	390.487	4.957	50	40	GJGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408784819	TVFAJJXTCMXPCX-BOPFTXTBSA-N	377.875	4.775	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1	408810063	IHAIJRSUQTWLDJ-HMAPJEAMSA-N	399.494	4.635	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408961473	MNBBAMRWLSDOIQ-SSDVNMTOSA-N	393.330	4.504	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC)n2)cc1	5024196	CIZTVSNGXQWSJU-OQLLNIDSSA-N	393.424	4.800	50	40	GJGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(C)c2)/C(=C/c2cccc(C)c2)C1	19816185	XMNQVZOSMQCFES-QYAMMSNYSA-N	397.522	4.784	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Br)s1	19824561	ZLAZPGUPLCMWTH-VZUCSPMQSA-N	383.274	4.519	50	40	GJGB	
CNc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-]	98008739	GOFNMJGTZWHGLY-YRNVUSSQSA-N	376.199	4.733	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)nn2-c2ccccc2)cc1	408724088	DYKDILGITRVLLS-WGOQTCKBSA-N	398.441	4.751	50	40	GJGB	
Cc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CCCC3)cc1C	409120909	ULSBTNKNJRCWGM-UHFFFAOYSA-N	376.909	4.673	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1Cl	4923190	RTIFKQHRGXPPNO-QGZVFWFLSA-N	395.915	4.868	50	40	GJGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	16960569	JEWKQRDADKEJPH-FOWTUZBSSA-N	391.452	4.582	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	408719905	PGTOXYXGQLGXBX-KGENOOAVSA-N	376.909	4.761	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	409071234	QBLNEEXBOWPYSJ-QGOAFFKASA-N	392.430	4.673	50	40	GJGB	
N#CCC(=O)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	3256300	JLXVUTBNPFOAPG-YZSQISJMSA-N	378.435	4.661	50	40	GJGB	
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1cccc(F)c1	5523156	GRCDWLIMBGBCGC-ZNAWXXFOSA-N	392.478	4.762	50	40	GJGB	
CC(C)(C)C1=CC(=NNC(=O)c2c[nH]c3ccccc23)C=C(C(C)(C)C)C1=O	18121846	XCOVQFAJYXFPRL-UHFFFAOYSA-N	377.488	4.781	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c1	20787009	CISZMKXDJNKTAR-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1	27519406	ISNUNJIVENPSAJ-YZSQISJMSA-N	381.479	4.940	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccn1	409221038	JTYLKFADHBKMKX-BOPFTXTBSA-N	376.847	4.688	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1O	805142	DUIRZQJGSXKOEY-UFFVCSGVSA-N	375.211	4.723	50	40	GJGB	
O=C(O)c1cccc2c1-c1ccccc1[C@@H](Br)[C@H]2Br	1702444	OCDOZJQXUMMRBQ-KGLIPLIRSA-N	382.051	4.937	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2200444	DJASCDUOEZIEFN-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(NC(C)=O)cc3)n2)c1	100839984	AAZPEQTVNFYUEB-VBKFSLOCSA-N	390.468	4.754	50	40	GJGB	
Cc1ccc2c(c1)[C@H]1[C@H](CC2)[C@H]2C(=O)OC(=O)[C@@H]2[C@H]2CCc3ccc(C)cc3[C@@H]12	103995607	YILBBFLJFLDAFW-GBLDUXDFSA-N	386.491	4.625	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	214112641	VLCNIAVHZXVOJG-LFIBNONCSA-N	384.863	4.992	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3ccccc3O)cc21	223478604	PCJKVGYRSJYGOY-OYKKKHCWSA-N	377.488	4.566	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)nc1	409236501	SLEQYLOJNFVXNS-FPJJECCMSA-N	384.483	4.582	50	40	GJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1OC	4150443	FSIATFQWPNBOSZ-FQEVSTJZSA-N	392.842	4.729	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	6758052	AZHMMQBIHIGQBT-UKTHLTGXSA-N	388.832	4.869	50	40	GJGB	
CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1	19880027	ZHVZBLSJPIRWLO-MRXNPFEDSA-N	376.909	4.741	50	40	GJGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(N)=O)c1	23402383	YBDKJMFHFNSZDK-BOPFTXTBSA-N	398.890	4.622	50	40	GJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408548891	MXXGYWWFDYULQP-QPEQYQDCSA-N	391.254	4.865	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408590872	QWTHBLQEJZIASX-CVKSISIWSA-N	385.442	4.901	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1	409361791	PWEMUKFNVHNPRI-MYYYXRDXSA-N	392.886	4.920	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2C1	4922482	VSSHBVIFCCOBRG-LJQANCHMSA-N	389.524	4.777	50	40	GJGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccco1	14134785	LLVRVCYVLQLPKL-SSDVNMTOSA-N	389.238	4.929	50	40	GJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)c(N2CCCC2)cc1C	107622795	IGLNLAKEOQZNMS-UYRXBGFRSA-N	377.463	4.842	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)o1	107846321	OVVSGPIJFGWDMY-UVTDQMKNSA-N	391.339	4.836	50	40	GJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Cl)c2)c1	408744528	FTDNDEKXPBHCNB-QPEQYQDCSA-N	391.254	4.946	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408815199	PREBJJSJSRHVFD-RVDMUPIBSA-N	383.245	4.560	50	40	GJGB	
CC(C)(C)c1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(C(C)(C)C)c1O	409252562	SQXCFLTXAIFWSF-QFEZKATASA-N	384.495	4.819	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1	5540055	DVYDFAVHAXBHHD-KOEQRZSOSA-N	380.451	4.612	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2C)cc1OCc1ccccc1	5681540	FCSYKESGCDTEMO-MFKUBSTISA-N	388.467	4.655	50	40	GJGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1	20133334	RPKITFLLUVINPN-SECBINFHSA-N	382.110	4.961	50	40	GJGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2C1	20348015	ZFYSAVGGCFAPFH-HOCLYGCPSA-N	381.526	4.524	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	59501720	VDXCTEZHWZUPAR-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cccs1	1059657	NHBBFKXHVAUENX-LJQANCHMSA-N	393.487	4.828	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1	5720262	WUYCTKSHFAZAFB-XSFVSMFZSA-N	390.483	4.630	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	20764155	UYFWPJUTVRUVSQ-WGOQTCKBSA-N	397.478	4.852	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	59533283	DISDDTARKPNNLS-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1	408820730	ZLPXHFGRWNNIGG-PTNGSMBKSA-N	390.370	4.638	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccccc1F	408847118	LORMABUVBSPXOS-CFRMEGHHSA-N	375.403	4.743	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12	5335600	GLWOOUISRRLCJL-CVKSISIWSA-N	383.451	4.564	50	40	GJGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc(Cl)cc3Cl)o1)C(C#N)=C(N)O2	8973048	RBWLCFUIYRKXEN-INIZCTEOSA-N	387.226	4.503	50	40	GJGB	
O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	22699163	SJEJIVGQGBKNDA-FUHWJXTLSA-N	392.590	4.578	50	40	GJGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/CCCc2ccccc21	33333786	FKMHAVJUFNJDPO-SVHPAFKASA-N	377.271	4.618	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(F)cc3)cc21	208251559	UZJLOZJXDNVQAH-ZGUVFNMESA-N	387.886	4.965	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2[N+](=O)[O-])cc1	2630509	IUWBDZPSFMRMGT-SFQUDFHCSA-N	393.468	4.584	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	2774009	ICMLSQJNWZSMFM-WUXMJOGZSA-N	376.199	4.756	50	40	GJGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	12572707	JNXFFYSMQZDOIE-LFVJCYFKSA-N	378.859	4.926	50	40	GJGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1ccc(F)c(Cl)c1	40139625	WLTLBJVJUHCPPQ-YRNVUSSQSA-N	384.823	4.543	50	40	GJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1	223174522	KCCKQSSGUZEGSB-RGEXLXHISA-N	398.418	4.811	50	40	GJGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccccc1-n1cccc1	2805898	UCDCGGMDKDJGDX-LFVJCYFKSA-N	388.858	4.685	50	40	GJGB	
COc1ccc(/C=N\NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	32216621	XVVDTJYSDMWELV-KPISKDHLSA-N	398.506	4.768	50	40	GJGB	
CCOC1(C(=O)Nc2ccc(OCCBr)cc2)CCCCCC1	225711064	IQMOXZCFJRJROU-UHFFFAOYSA-N	384.314	4.528	50	40	GJGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/C=C/c1ccccc1	3113373	UEFTZTXSTCSMEY-SKRBABGKSA-N	393.284	4.960	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C)cc1OC	409011033	FNTNJLUGBZCBNK-BUVRLJJBSA-N	376.456	4.710	50	40	GJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1Cl	1948553	LAKFWLVIZNKMLC-SRZZPIQSSA-N	385.678	4.956	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1CCc1ccccc1	5491399	ZUMAMMRHKIQBBX-CQSZACIVSA-N	376.847	4.533	50	40	GJGB	
O=C(CSCc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	59166888	STYJZNIYTMBETJ-HZHRSRAPSA-N	376.481	4.862	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	103422223	SAMSYOVWYWNECT-SILNSSARSA-N	392.480	4.663	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3F)cc21	208251061	PJBISPXSGYEYFB-ZGUVFNMESA-N	387.886	4.965	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)Cc3ccccc3)cc21	208465306	FSAFAECSWABFOR-ZVHZXABRSA-N	381.907	4.665	50	40	GJGB	
O=C(NNc1cccc(Cl)c1)c1ccc(SCc2cscn2)cc1	30615482	HBRLMLUCZOIOOE-UHFFFAOYSA-N	375.906	4.846	50	40	GJGB	
COc1ccc(C)cc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1	59434016	WWWJIIJSDHCCTA-UHFFFAOYSA-N	387.524	4.719	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	97674215	DEKTXBNKTDSOIT-RQNDZEIBSA-N	394.496	4.595	50	40	GJGB	
COc1ccc(OC)c(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)c1	108483487	BHTMORUJZYUQEA-FBHDLOMBSA-N	388.876	4.644	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1	4749771	PYMLFIKILRTEAO-WOJGMQOQSA-N	389.480	4.597	50	40	GJGB	
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1cccc(F)c1	5523157	GRCDWLIMBGBCGC-HQUHOLMRSA-N	392.478	4.762	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1)c1nc2ccccc2s1	6283600	BPIQMFNIDAFXDH-UKTHLTGXSA-N	397.415	4.504	50	40	GJGB	
CCOc1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC	30802788	WASHTKKOLWGQCM-CNEWXIHYSA-N	394.515	4.645	50	40	GJGB	
O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@@H](Br)N=N1	100930490	AOSRCNTXJBXSEJ-KUHUBIRLSA-N	381.229	4.536	50	40	GJGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21	408746567	FHASSGNMLAHHGR-KAMYIIQDSA-N	394.272	4.969	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1Br	408768653	ZQEKOJURXIMLAG-WJDWOHSUSA-N	399.288	4.956	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1F	408869768	UEJLTCZEPAVMRX-DEDYPNTBSA-N	386.426	4.971	50	40	GJGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(-c2cccc(F)c2)o1	409009236	CHCFCIAUXSENOG-ROTLSHHCSA-N	390.336	4.797	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCCC	409065348	KULIAVZPIIQKSB-QGOAFFKASA-N	394.446	4.897	50	40	GJGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	409364422	PMKMTHLQUATMMN-WPWMEQJKSA-N	395.506	4.945	50	40	GJGB	
COc1cc2c(cc1OC)[C@H](NC(=O)CCCC[C@@H]1CCSS1)CC2	524729907	NWYRSCRYCBNAQN-GDBMZVCRSA-N	381.563	4.521	50	40	GJGB	biogenic
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)cc1OC	2670487	LSIGUFKHCCJVMM-SFQUDFHCSA-N	380.444	4.515	50	40	GJGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br	20760614	GZJQGVLPXPFIFE-RGVLZGJSSA-N	395.684	4.655	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	28217311	WFFVLPQCYKYAEK-OEAKJJBVSA-N	377.513	4.645	50	40	GJGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1	33862954	HYSKBESAOVJLRZ-PJTBNZIESA-N	387.317	4.715	50	40	GJGB	
C/C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)=C(/C#N)C(N)=O	7779511	LXMLXPJOOOYKJC-ACCUITESSA-N	394.525	4.598	50	40	GJGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1	20132581	ICUPTTADPGQNIV-MRVPVSSYSA-N	392.116	4.561	50	40	GJGB	
N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	100943409	OTOZNGOEHYYIMR-OQLLNIDSSA-N	387.675	4.898	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3OC)cc2[C@@H](C)CC1(C)C	223574783	KDFVUXDCANUMAV-STPJHCLOSA-N	393.531	4.880	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1	408868007	KYDWXZBXRUYETC-HMMYKYKNSA-N	386.426	4.971	50	40	GJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	1320214	ODUCKOWEBIVXHO-OWGFIJSYSA-N	395.286	4.742	50	40	GJGB	
N#C/C(=C\c1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(Cl)cc1	3125469	IZUOMHIIOWDQHC-WEVVVXLNSA-N	386.160	4.953	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)c1	16742626	FVQGFOWRWUBEDA-NBVRZTHBSA-N	394.434	4.556	50	40	GJGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1cccc(Br)c1	59248258	PIHJDKIXWAPBLH-QINSGFPZSA-N	392.256	4.785	50	40	GJGB	
COc1ccc(CSCC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)cc1	408842063	NQYUKWAOPOAKQG-HAVVHWLPSA-N	384.545	4.788	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@@H]([C@@H]2C=CCCC2)C(C#N)=C(N)O3)cc1	663787	LHFVVKPCXNHLOM-KDOFPFPSSA-N	378.501	4.537	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccccc1	1073683	XCZZEZJUMRMVNF-VLIAUNLRSA-N	376.843	4.548	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(C(C)(C)C)n[nH]3)o2)cc1Cl	5646512	QVWQRJYEYVNGFJ-SSDVNMTOSA-N	384.867	4.693	50	40	GJGB	
CC(=O)Oc1ccccc1SCCCCCCI	13782081	AUPRUOFANHNPGO-UHFFFAOYSA-N	378.275	4.699	50	40	GJGB	
CCCCOC(=O)/C(C#N)=C/c1c(C)nn(Cc2ccccc2Cl)c1Cl	15352454	PYYPYSYKDSOMPH-XNTDXEJSSA-N	392.286	4.797	50	40	GJGB	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	97152368	CSASJTAYMLWZNM-CAOOACKPSA-N	386.842	4.856	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)c1	223476448	RFZRTSVRAOTRCF-MFKUBSTISA-N	391.515	4.869	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)cc1	408600281	BBUUOFRUOSBCKE-JLHYYAGUSA-N	380.350	4.779	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc(C(=O)O)cc1	6251364	SQABPURZLPZYPY-BKUYFWCQSA-N	399.402	4.726	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	32117136	SUPWWQAABNPIDJ-HMAPJEAMSA-N	391.452	4.818	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H]1c1nc2ccccc2[nH]1	42061178	OZVHMZKZTNZZDF-YOEHRIQHSA-N	375.563	4.941	50	40	GJGB	biogenic
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC	408808968	GCBZHDFEROZZGB-ZROIWOOFSA-N	388.826	4.822	50	40	GJGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccco2)c1C	1093419	CCUCOZVWIWUEAG-WOJGMQOQSA-N	393.874	4.872	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(F)cc1	6971186	YCHNROBDDQIRGP-WSDLNYQXSA-N	387.867	4.512	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1	408740305	AZBGMRGHFZIBBY-UYRXBGFRSA-N	399.406	4.719	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1nc2ccccc2[nH]1	409047880	NOVYQGYMNFVKSU-PDGQHHTCSA-N	395.418	4.904	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1C	409229548	QWUNRKSKDSAOAX-QFEZKATASA-N	377.463	4.543	50	40	GJGB	
COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1cccc2ccccc12	4511309	OTZZGEGPVCJOEG-FSJBWODESA-N	382.847	4.551	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408793878	GLEDPKMBQMMVOH-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	408887565	RRNIYUDEWWEEEB-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1Cl	409014425	PPDNRBRSPDWZNC-MYSNOUKZSA-N	395.286	4.700	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccnc1	13496256	IOZOWUTWYZPKGG-BOPFTXTBSA-N	376.847	4.688	50	40	GJGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C	101128514	HYXFPAKONXCGJP-WOJGMQOQSA-N	392.484	4.604	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C	408998917	JJCRMTYBYMUVIO-OYKKKHCWSA-N	379.891	4.749	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409158971	YTDFTYOTPZLJRM-ZVHZXABRSA-N	390.439	4.584	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCC)c1	1410902	IBGQEGXQTAUPRA-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC	2670473	RUTZUCWRTCAOSV-GHRIWEEISA-N	382.435	4.949	50	40	GJGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(S)N1	4149624	YDUAHOQCNLLCFR-SFHVURJKSA-N	381.888	4.604	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccccc3)c2C)cc1C	28216178	ALLQZGNKCAJMBX-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)n1	408842630	PFRSRLHOFIXATP-XDHOZWIPSA-N	398.441	4.889	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Br	408877313	UPJYPYLQXRPGRJ-LFIBNONCSA-N	399.288	4.956	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1	409368663	GXHJWTRXLPOSHR-PTNGSMBKSA-N	375.209	4.754	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccccc2)c1C	409379598	YFPRIDDGDATKEM-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(C)C	7157195	SIUCVZSNHUNNOG-XNHPLOEXSA-N	378.472	4.514	50	40	GJGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3cc(C)ccc3C)cc2)cc1	409360414	FICQFZFVJKTFPF-QQXSKIMKSA-N	386.495	4.884	50	40	GJGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)c1	1056583	VNAKYMMNBLWVIQ-HXUWFJFHSA-N	389.524	4.997	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC	1833938	NKZNHGRWCLWEJA-SDNWHVSQSA-N	381.432	4.943	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1	3115068	YDYUNBFHXHENRL-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
C/C(=N/NC(=O)c1cccc(COCC(F)(F)F)c1)c1cc(C)sc1C	6922041	FSFJPXWZJHWHBT-UUYOSTAYSA-N	384.423	4.598	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1	59201217	VHGCVLBFCJQNNE-HKWRFOASSA-N	384.435	4.820	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCC)c1	59202269	BTSIWUIPTRNAOF-LFIBNONCSA-N	384.863	4.992	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	408872557	GJPUEKQLROZJDS-OVCLIPMQSA-N	385.261	4.702	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	408922626	FPGGWUPRQBZKPT-DHZHZOJOSA-N	376.199	4.756	50	40	GJGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(N)cc3)c2)cc1C	4893892	XVOBGLSAVMMBSJ-LFOKZAPISA-N	387.443	4.771	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C#N)cc1	6078644	NHGTXTPBINXCJW-CVKSISIWSA-N	396.475	4.989	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)cs1	17474049	DQNDRLJYJSCOAL-OQLLNIDSSA-N	396.855	4.991	50	40	GJGB	
CCc1ccc(/C(C)=N\NC(=O)c2cccc(COCC(F)(F)F)c2)s1	36611215	GINUMTSALADZPV-UUYOSTAYSA-N	384.423	4.543	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCC	408816777	MEEFNUYWGULSBP-ATVHPVEESA-N	380.419	4.507	50	40	GJGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(C)=O)cc1	4499474	ZZTNRESUCUYUQI-QKIXXSFTSA-N	388.895	4.781	50	40	GJGB	
CC(C)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1	5463778	MOAOEYHUHQSPTB-MFKUBSTISA-N	397.950	4.826	50	40	GJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3)=C2C#N)cc1	6454128	WLEKWLKKKQOXRC-SFHVURJKSA-N	396.537	4.559	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	59334611	ZDDUZCQHUGOPEB-STZFKDTASA-N	379.463	4.838	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cc(Cl)ccc1Cl	408777733	HIWXDDVZEZHKGN-NVNXTCNLSA-N	376.287	4.833	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c1	409363004	UBDYJDAVRUUWTP-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1Br	409393438	XFSSUKQMSIXWJD-JYRVWZFOSA-N	398.260	4.797	50	40	GJGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2cccc3ccccc23)cc1	408730410	QOXQZPNPVDRINX-XQNSMLJCSA-N	378.497	4.622	50	40	GJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1	408854373	DIWXUHZLMMSZNS-ONUIUJJFSA-N	395.462	4.922	50	40	GJGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	409008296	VJUGRRZPBSWFNM-HAHDFKILSA-N	391.427	4.691	50	40	GJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)s1	5480005	LJUONUXYEWDVQS-GIJQJNRQSA-N	381.935	4.644	50	40	GJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	6043974	WNVFVRMQVZFFFG-WJDWOHSUSA-N	383.854	4.933	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)c1ccccc1	96663074	LUJIEGLNDJAENC-ZHZULCJRSA-N	376.419	4.724	50	40	GJGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)cc1C	872838	DJAQGTZNCBDMNL-XMHGGMMESA-N	399.494	4.523	50	40	GJGB	
O=C1c2ccccc2OC[C@@]1(Br)[C@H](Br)c1ccccc1	2564988	BPVJJSBPBXRROZ-GDBMZVCRSA-N	396.078	4.532	50	40	GJGB	
COc1ccc(-c2csc(N(Cc3ccco3)C(=O)CCCl)n2)cc1	4215111	FFFYZZYIVVBYJL-UHFFFAOYSA-N	376.865	4.574	50	40	GJGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1	4922858	NTSJQIUNEHOEQJ-QGZVFWFLSA-N	393.487	4.608	50	40	GJGB	
COc1cccc(C(=O)N/N=C(C#Cc2ccccc2)/C=C/c2ccccc2)c1	5514648	UURSCBOQDYPLJR-JNMYUPMFSA-N	380.447	4.546	50	40	GJGB	
Cc1cc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1	59483853	OCONTZJITFLYAO-MFKUBSTISA-N	393.531	4.778	50	40	GJGB	
C[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527751	IDSZRNIXPFFLFW-VKHMYHEASA-N	388.011	4.668	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3Cl)c2C)cc1	408997477	GSJZBCHBAMEEAI-CFRMEGHHSA-N	395.890	4.585	50	40	GJGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccco1	409133971	VDUUBLPVAUMXBS-LLVKDONJSA-N	379.268	4.858	50	40	GJGB	
COc1ccc([C@H](Br)[C@@H](Br)C(=O)C(C)(C)C)cc1	1593867	BTDBQRMHANTBQI-NWDGAFQWSA-N	378.104	4.510	50	40	GJGB	
C[C@@H](Br)C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1	2151870	FTKJLHZSLKRBKT-SECBINFHSA-N	389.171	4.615	50	40	GJGB	
O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1	5243859	CSPNPBXZHGKMPG-UHFFFAOYSA-N	394.887	4.840	50	40	GJGB	
O=C(/C=C/c1cn(C(=O)CCCl)c2ccccc12)c1cccc([N+](=O)[O-])c1	5809285	RPOWZSJROZMWPI-CMDGGOBGSA-N	382.803	4.715	50	40	GJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)c1	15014073	ZZODDCUVHYPPNJ-CVKSISIWSA-N	395.462	4.699	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1	31783698	VMSDETYALRAGBG-HMAPJEAMSA-N	393.439	4.743	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl	408857872	PIAUQLWOFTWWHO-XFXZXTDPSA-N	376.243	4.732	50	40	GJGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OC	409021963	GLKVSCCQVIACMY-NKVSQWTQSA-N	393.226	4.521	50	40	GJGB	
C#CCn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409367590	FTDQUTCQBNMPKV-FSJBWODESA-N	384.266	4.654	50	40	GJGB	
O=C1O[C@](Br)([C@@H](Br)c2ccccc2)c2ccccc21	2323133	CQSCVJFNAOEPKT-ZFWWWQNUSA-N	382.051	4.541	50	40	GJGB	
CCSC1=C(C#N)[C@H](c2ccc(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1	6138606	CESIGYMZODGMCF-IBGZPJMESA-N	398.528	4.522	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)cn1	12362799	MIIDQIAKTXOBCY-LTKUWPENSA-N	393.834	4.928	50	40	GJGB	
COC(=O)/C(C#N)=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	20220357	XFDOJVLQSVFCMG-RUDMXATFSA-N	386.618	4.899	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccccc3F)c1)C2	408729726	IXKVRNSPUJJAPS-LGJNPRDNSA-N	387.458	4.727	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Cl)cc1	408846277	MJXLXLZSDKSYOK-LCYFTJDESA-N	393.668	4.596	50	40	GJGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(Cl)cc1	409343843	HZJSEKWWPQGHLG-WZUFQYTHSA-N	379.597	4.780	50	40	GJGB	
N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	4063676	WJWDRFFRWWIHGD-JLHYYAGUSA-N	393.384	4.603	50	40	GJGB	
N#CCCn1cc(/C=C(/C#N)c2nc(O)c3ccc(Cl)cc3n2)c2ccccc21	40083250	XFDNEXWBEOIBFT-UVTDQMKNSA-N	399.841	4.921	50	40	GJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	3330063	ZLDXOHRKNYCBSM-XYOKQWHBSA-N	382.288	4.852	50	40	GJGB	
COC(=O)c1nc(NC(=O)CCCC[C@@H]2CCSS2)sc1C(C)C	96114830	ZOJSGLPRFBFIOF-LLVKDONJSA-N	388.580	4.706	50	40	GJGB	biogenic
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)Cc3ccccc3)cc21	223477216	BVWPWVCFKAPBDR-PCLIKHOPSA-N	375.516	4.790	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1cccc(C)c1	408806353	BCXOCODVBPECFJ-LANLRWRYSA-N	392.499	4.794	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1	867824	LCSKGRMRVMNZGA-ZVBGSRNCSA-N	393.661	4.801	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	30738508	ROORUPSPKRHCCC-IGOVBCFOSA-N	399.878	4.800	50	40	GJGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1F)c1cc2ccccc2o1	83313336	QGCSWBLDPKJIJS-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408742923	CRSBVWMJOFKHOK-GDNBJRDFSA-N	385.261	4.702	50	40	GJGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccc(Cl)cc1	3084154	ZTFSMRSIRINBBZ-UFFVCSGVSA-N	398.677	4.516	50	40	GJGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	4827275	CQWJUJFFMKOLBV-ZSOIEALJSA-N	378.369	4.691	50	40	GJGB	
O=C(N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1)c1ccccc1	6889662	GHWGAMDRLQBNFC-KGENOOAVSA-N	396.541	4.626	50	40	GJGB	
Cc1ccc(C(=O)N/N=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1	6965954	DUCCKTYFZXSPJH-ONUIUJJFSA-N	397.478	4.793	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c(C)c1	13955328	SJUXJWLJUWBDKX-FMCGGJTJSA-N	382.847	4.746	50	40	GJGB	
O=C(N/N=C(/Cc1ccccc1)c1ccccc1)c1c(O)ccc2ccccc12	17077756	RXKGQAOLKGYRLM-ROMGYVFFSA-N	380.447	4.922	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)cc1	58822966	GZFRVEWXGIRKOB-QGOAFFKASA-N	386.407	4.587	50	40	GJGB	
O=C(N/N=C/c1ccccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1	95117824	LKUJBVGLYBIAKO-UFFVCSGVSA-N	375.211	4.723	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1c(C)ccc2ccccc12	408872656	NNLMPUUMCFXODK-XDHOZWIPSA-N	386.451	4.518	50	40	GJGB	
C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(C)cc1	5543049	GCPPVEDOFXQQDB-XSFVSMFZSA-N	391.334	4.531	50	40	GJGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccccc1	12376705	NJPPZDBVGZIYBU-UVTDQMKNSA-N	392.798	4.844	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c1	14134348	KGIDDFGEWUDFGA-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C)c1ccccc1	28216645	AMSMRXBAOCHEND-JHXRPTDYSA-N	395.890	4.585	50	40	GJGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	28217314	CCPBLWASBUJMLJ-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)c1	44827349	LQKGZMNCQSBHQF-OQLLNIDSSA-N	393.424	4.800	50	40	GJGB	
Br[C@H]1[C@H]2CC[C@H](C2)[C@@H]1S[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br	217402263	SSHGJJMUKDEIMS-BEIYENSPSA-N	380.189	4.844	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1Cl	408734166	FATBQVFYGJZXDP-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408742606	BPEZSLAAQCUOPW-QINSGFPZSA-N	383.245	4.560	50	40	GJGB	
N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	5947988	DACPMWZFXUKQRF-WGOQTCKBSA-N	376.419	4.537	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1F	28217005	RGQBQEAUDHGSFB-BUVRLJJBSA-N	395.503	4.866	50	40	GJGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1c(O)ccc2ccccc12	3150157	SEFTYRLPLRKZLP-WGOQTCKBSA-N	396.446	4.742	50	40	GJGB	
C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccccc1	4863566	XQPYRKKZEPOQDQ-XSFVSMFZSA-N	391.334	4.698	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1	5815810	WHUHAYWSTXBEES-ATVHPVEESA-N	386.407	4.807	50	40	GJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1	6746212	ARDVCLOFPSRULL-QGZVFWFLSA-N	395.915	4.868	50	40	GJGB	
CCCc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)C(C)(C)C)cc2)cs1	17078744	SXJLGLMKLHEYIV-OEAKJJBVSA-N	385.533	4.839	50	40	GJGB	
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N1C[C@@H](C(=O)Cl)CC1=O	45887203	JIHCPTLSBQGUNN-LBPRGKRZSA-N	389.238	4.575	50	40	GJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)cc2)c1	408778953	NKHQCFCPYUDOFI-GDNBJRDFSA-N	385.261	4.782	50	40	GJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1	408802484	YHRFAMQHNOSPGL-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(C)C	409192577	FDNQYCSEYANDCU-SSDVNMTOSA-N	395.286	4.943	50	40	GJGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1	408718743	DTOQMIFLSZMYQL-TVCITPGHSA-N	392.499	4.551	50	40	GJGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc2ccccc12	1453923	CBZHBHNIWNWLDQ-XNTDXEJSSA-N	393.240	4.854	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(C)C	4499578	NTVCOFRPQPFUKV-BRJLIKDPSA-N	392.421	4.839	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408995108	JAFFRKVOTYOAKN-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	408996092	KXKMFPKCQBDKKY-UFFVCSGVSA-N	376.243	4.758	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1	634937	YNUWXFMBRBWYRM-VULFUBBASA-N	386.430	4.545	50	40	GJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/C3CCCCC3)cc2)cc1	5504464	XHSZSCBMFNWQNP-LFVJCYFKSA-N	380.488	4.960	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(F)cc1	8812046	HRNLHGFFSDIZIB-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
O=P(O)(O)CCCCCCCCCCCCI	39337615	NDCVFKKYUOORCD-UHFFFAOYSA-N	376.215	4.500	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)c(Cl)c1	408776706	QLIYMQMSUDSQES-OVCLIPMQSA-N	376.287	4.833	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)c1	875613	DDTTZXNXCJRRPX-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Br)c1	2766096	AABXSSYDVFTDSK-CYGNYLSHSA-N	397.272	4.520	50	40	GJGB	
C[C@@H]1CCC/C(=N\NC(=O)COc2ccc3ccccc3c2Br)C1	4523813	LBRKVMMOSUJSBZ-IKGJXOFFSA-N	389.293	4.663	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1	4690082	OVCXTOIOGJPPML-XSFVSMFZSA-N	398.418	4.509	50	40	GJGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1OC	15938783	LQIZEVAIUMGEAS-LFVJCYFKSA-N	380.488	4.906	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1	28216635	LTUNEPZIBSVTAM-XTVKVDEJSA-N	389.499	4.549	50	40	GJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408566689	AXWNBPZWVAKEKV-GHXNOFRVSA-N	386.224	4.927	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1	408780429	YFRNOUCCHDGPOR-OEAKJJBVSA-N	383.561	4.533	50	40	GJGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)c1	408865524	CRYWCBIQPSXTGT-OYKKKHCWSA-N	378.859	4.991	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccccc1Cl	408869012	QHRWYBDJVFYQQZ-YDZHTSKRSA-N	398.846	4.675	50	40	GJGB	
O=C(N/N=C\c1cc(Br)cs1)c1cc2cc(Cl)ccc2o1	409021943	ATNZBUWGKJKHTK-FMQZQXMHSA-N	383.654	4.674	50	40	GJGB	
O=C(N/N=C/c1cccn1-c1ccccc1F)c1cc2cc(Cl)ccc2o1	1106832	NBSOBVBCLRSMRA-FSJBWODESA-N	381.794	4.780	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F	3082650	BKXXSKDMBWHDII-SSDVNMTOSA-N	386.826	4.991	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3cc(OC)ccc3OC)n2)c1	6451226	BFRYEODVEHVWRY-SXGWCWSVSA-N	378.453	4.900	50	40	GJGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	6901753	HFLAAPCHMHNMJC-JLHYYAGUSA-N	398.800	4.658	50	40	GJGB	
N#C/C(=C1\N=C(c2ccccc2O)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1	33917212	GZZLUWFPOJQTPH-DYTRJAOYSA-N	383.363	4.531	50	40	GJGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	59336359	YOSIGOTXYPVURD-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104054569	NCPKUOFJNPLYBC-UHFFFAOYSA-N	384.459	4.792	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1OCc1ccc(Cl)cc1	408856199	JHRUJKARFXPYEO-BRJLIKDPSA-N	393.874	4.695	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)[C@H](C)Cl)cc1	2275835	PWOVEWROYIBIPU-SUMWQHHRSA-N	377.893	4.590	50	40	GJGB	
C[n+]1c(/C=C/c2ccc(N(CCCl)CCCl)cc2)oc2ccccc21	4429349	BWYZEUSVISSQBU-UHFFFAOYSA-N	376.307	4.712	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1	13475576	GIWAVBPEUDJYKX-RAXLEYEMSA-N	378.375	4.853	50	40	GJGB	
CC(C)(C)[C@@H](CP(c1ccccc1)c1ccccc1)N[S@](=O)C(C)(C)C	1857794969	BBPMRIDBKUKROD-FQRUVTKNSA-N	389.545	4.586	50	40	GJGB	
C[C@@H](Br)C(=O)C(c1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C	1593256	FQENEZQJHZAKPK-DLBZAZTESA-N	388.349	4.523	50	40	GJGB	
Cc1cccc(-c2nc3cc(NC(=S)NC(=O)CCCCl)ccc3o2)c1	2233398	NBZJAYDFTSIGEC-UHFFFAOYSA-N	387.892	4.635	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)c1	252488056	IIGQLOJZIMVCMC-XNTDXEJSSA-N	391.358	4.848	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c1	948723	UMADIOJLKNWWJU-HMMYKYKNSA-N	382.419	4.760	50	40	GJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)c(Cl)c1	3102340	VMYPIVPMANELKM-IFRROFPPSA-N	392.069	4.829	50	40	GJGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccsc2)/C(=C/c2ccsc2)C1	19805244	UHQXLAWUOSCXFG-MERDRXRJSA-N	395.553	4.679	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C	223574713	WERVSKGJWWPCFS-STPJHCLOSA-N	393.531	4.880	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(OC)cc2)c1C	408964183	BPKMPMKSMRFTFO-IWIPYMOSSA-N	390.487	4.821	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)cc1Cl	409369991	IXDIDSDYPZEFBU-DHRITJCHSA-N	394.906	4.618	50	40	GJGB	
C/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccccc1	5051179	SQYMCYPEFXVZID-UQQQWYQISA-N	380.451	4.898	50	40	GJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)o1	16215031	KGKFPIZPWAHISL-ZSOIEALJSA-N	390.351	4.656	50	40	GJGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)[C@H](OC)c1ccccc1	100029064	CSCWDBQUKJIRFV-DNQXDJSBSA-N	382.504	4.874	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1ccccc1Cl	100571695	KPCCUDJEGGZJBR-LSHDLFTRSA-N	398.677	4.781	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	408773869	JLGYHXFMGRXRBO-AEOXGOBCSA-N	384.888	4.830	50	40	GJGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789704	RKOAHYYJRKYHRZ-XDHOZWIPSA-N	398.418	4.540	50	40	GJGB	
CC[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c(O)ccc2ccccc12	2748712	NCZLAXIGOZOHLW-QNDYCBLQSA-N	381.863	4.540	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1	6381869	ULHCMVMGXBNZAR-FMNVXAMXSA-N	376.847	4.514	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1	7894322	QSKDGNUOLDQNRP-SRZZPIQSSA-N	387.208	4.612	50	40	GJGB	
CCCCCCCCCCCC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NN	68568864	KIOIRKCJGMENQO-IBGZPJMESA-N	379.501	4.643	50	40	GJGB	biogenic
O=C1c2ccccc2C(=O)C1C1=C[C@H](c2ccccc2)[C@H](Br)N=N1	100930494	AOSRCNTXJBXSEJ-AUUYWEPGSA-N	381.229	4.536	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccs2)c1C	408587759	HCTXCXOMGQCIKZ-SRZZPIQSSA-N	387.892	4.582	50	40	GJGB	
COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	4526003	ZCAQLRUJCJBNFD-DNTJNYDQSA-N	387.650	4.916	50	40	GJGB	
CCCSC1=C(C#N)[C@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1	27026676	PXMPPDGWDPNZMX-FQEVSTJZSA-N	390.512	4.559	50	40	GJGB	
CCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408532889	PQGVHUFXWIZNQX-CFRMEGHHSA-N	394.393	4.657	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409236548	STEOCZKEQXEAEM-AYCSXLNKSA-N	384.863	4.532	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2C1	4412419	MMOKWALZZWULFC-HNNXBMFYSA-N	381.526	4.530	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1	6922074	ANVWGQHDXAJZTP-WYMPLXKRSA-N	396.874	4.648	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(F)cc1	8812321	JJYAVCGKAKHXPI-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2c1C	876498	UZVFCXFFZXPQIL-NRFANRHFSA-N	393.446	4.516	50	40	GJGB	
O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(C(Cl)Cl)o1	2150482	QIFUBHKFGFVOIX-UHFFFAOYSA-N	376.044	4.830	50	40	GJGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCC1)c1ccc(-c2ccccc2)cc1	4132958	YWEPCCYNQOYSMI-UHFFFAOYSA-N	388.389	4.548	50	40	GJGB	
FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)F	103528755	YKXZOQHQZHGTAY-REOHCLBHSA-N	391.974	4.575	50	40	GJGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408805307	GAHSKOSYNOQJKS-LFIBNONCSA-N	382.847	4.768	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1	4592648	JALFDPXWHNOZGQ-OMKSPEPESA-N	391.471	4.811	50	40	GJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1nc2ccccc2[nH]1	4740728	QVTVYUJYJXNINU-PTNGSMBKSA-N	383.367	4.723	50	40	GJGB	
O=C(COc1ccccc1-c1ccccc1)NNc1cccc(C(F)(F)F)c1	14907596	VJJQBAMYYFMIJW-UHFFFAOYSA-N	386.373	4.895	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	33671877	NTENGHIDFCHGIW-SFQUDFHCSA-N	391.858	4.999	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223545436	YFBDSTVBTNLLJX-STPJHCLOSA-N	393.531	4.960	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	408926763	YHVITUPTQQVEKZ-WUXMJOGZSA-N	376.199	4.756	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccccc1F	985618	XZYXHAAJRSBXHA-LJQANCHMSA-N	382.398	4.587	50	40	GJGB	
CCCC/C(CCCCCCCC/C(CCCC)=N/NC(N)=O)=N/NC(N)=O	4856131	HAAATKROJRIPSC-QFFDILLMSA-N	396.580	4.536	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2Cl)sc(C)c1C	5790998	HTPPWYHMESHTTF-ZROIWOOFSA-N	388.876	4.741	50	40	GJGB	
Cc1nn(-c2ccc(F)cc2)c(O)c1/C=C(\C#N)c1nc2ccccc2s1	5921333	CJVPLEWWAJOHOR-JLHYYAGUSA-N	376.416	4.699	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1OC	16917622	TVWYPAOTVWWQTP-SDNWHVSQSA-N	381.432	4.943	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1O	33417143	LSXNRUPPHFUTNI-LGMDPLHJSA-N	386.407	4.739	50	40	GJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	40948909	SPJMZXQJTXZVEB-NTCAYCPXSA-N	385.261	4.784	50	40	GJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59432885	ACJCIDJLWAHRKG-LFIBNONCSA-N	397.272	4.868	50	40	GJGB	
NC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408739744	FEFJIWJZNGGXLX-YZSQISJMSA-N	380.451	4.814	50	40	GJGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3cccc(C)c3)c2c1	409006761	KSZMZZJXNZSYOT-IWIPYMOSSA-N	376.456	4.710	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC1CCCCC1	5749652	WPXZTMQTPBQYLA-GXDHUFHOSA-N	398.846	4.654	50	40	GJGB	
Nc1cc(-c2ccccc2)sc1C(=O)N/N=C1\CCCCc2ccccc21	7780631	HELYJJMBBMXJBP-LYBHJNIJSA-N	375.497	4.858	50	40	GJGB	
COc1ccc(-c2cc(C(=O)NNc3ccccc3)c3ccccc3n2)cc1OC	70717105	QQYIAEUZNJYEGN-UHFFFAOYSA-N	399.450	4.676	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)c(Cl)c1	4815546	XPNIYTGZMQZXPA-WSDLNYQXSA-N	398.871	4.693	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccncc3)cc21	223503093	RWTDHARPIQATNY-AFUMVMLFSA-N	376.504	4.564	50	40	GJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c1	408587671	GQNFGDITFSUZMZ-YDZHTSKRSA-N	396.830	4.541	50	40	GJGB	
Cc1cccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1	409019782	XXOYEFHQPBJEBZ-QRVIBDJDSA-N	377.831	4.949	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)cc1	4923491	UDQQNYWPOMSQRZ-IBGZPJMESA-N	393.487	4.608	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	5022595	KGTVSVZTYSYQLZ-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
N#CC1=C(N)S[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1C(F)(F)F	5286275	DTLRLUUXUCSRFJ-RDJZCZTQSA-N	392.377	4.620	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2ccccc2)c1C	28216182	SPLFITXDXKDSDC-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
COc1ccc(/C(C)=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1	32202593	RYTUOHAHMAGQFN-GXHWNICQSA-N	384.479	4.542	50	40	GJGB	
O=C(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl	95696987	HNDCMJCNRXFMQR-IUYQGCFVSA-N	381.861	4.663	50	40	GJGB	
Br[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1S[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Br	217402442	SSHGJJMUKDEIMS-VLUIMUIKSA-N	380.189	4.844	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCC2)cc1C	408962615	ZUWDXHHLEAAEHP-ODLFYWEKSA-N	381.483	4.604	50	40	GJGB	
C=CCn1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)c2ccccc21	409187378	PREZRJZXGNZYJS-OYKKKHCWSA-N	387.439	4.736	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4063653	HFNZDOANJWBCNM-GXDHUFHOSA-N	377.425	4.524	50	40	GJGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O[C@H](C)c1ccccc1	4511551	MHZNNPZVMLVUTK-MXJLDLDKSA-N	389.455	4.991	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	5773643	BGXRWKAQVVXVPA-CPNJWEJPSA-N	399.406	4.719	50	40	GJGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Cl)cc3Cl)o1)C(C#N)=C(N)O2	8973047	RBWLCFUIYRKXEN-MRXNPFEDSA-N	387.226	4.503	50	40	GJGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccccc1F	217708012	DCVAEWUMOWUFSF-UHFFFAOYSA-N	387.632	4.945	50	40	GJGB	
CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCBr)cc1	225702721	FVZKUTZXWRUQNU-GOSISDBHSA-N	386.330	4.774	50	40	GJGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl	4106754	FHKUWEYGUKKNLX-LPYMAVHISA-N	376.287	4.748	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	30738504	ROORUPSPKRHCCC-BALIHEHJSA-N	399.878	4.800	50	40	GJGB	
Cc1ccccc1COc1ccc(C(=O)Cl)cc1I	217710079	WXESOZBXDJOQIS-UHFFFAOYSA-N	386.616	4.558	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)nn2-c2ccc(C)cc2)cc1	408724286	JOVKRTBCKRWBHC-BUVRLJJBSA-N	384.439	4.513	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Cl)cc1OC	409220661	CZBVLGPAJQVSLR-AYCSXLNKSA-N	384.863	4.532	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F	2322768	CSRYOTLADGHBPE-QGZVFWFLSA-N	397.356	4.538	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OC	6410808	UBGQEXDEELJGOP-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(Cl)c3)c2C)cc1	6961831	VZEQMNQVEMTQAU-QRVIBDJDSA-N	381.863	4.520	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1cccnc1	26966235	UNKXEGLXYVICOH-RIYZIHGNSA-N	398.249	4.872	50	40	GJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1	58927832	SUXJDDOMDFYPBL-ZVBGSRNCSA-N	381.328	4.994	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc12	408676467	JBASSBTTYITHMR-KOEQRZSOSA-N	387.483	4.603	50	40	GJGB	
Cc1ccsc1/C=N/NC(=O)COc1cc(Cl)cc(Cl)c1Cl	408996149	LFCMZMROBRDSPK-NGYBGAFCSA-N	377.680	4.546	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccccc1	2232429	FKCSRGUSIGFHED-QGZVFWFLSA-N	381.888	4.559	50	40	GJGB	
CCCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)OCC)o2)ccc1Cl	4503549	OFNMRTKSZGWWNS-GXDHUFHOSA-N	387.819	4.637	50	40	GJGB	
C#CCOc1ccc(OC)cc1/C=C(\C#N)Sc1nc2ccccc2s1	33557700	NPFOCQQFLYELFL-FOWTUZBSSA-N	378.478	4.974	50	40	GJGB	
CC(C)(C)C1CCC(=NNC(=O)CN2C(=O)c3cccc4cccc2c34)CC1	101727039	MKHXXZCZDOMDKM-UHFFFAOYSA-N	377.488	4.509	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1	408567380	DJMJUCDLANCKGE-GDNBJRDFSA-N	387.370	4.813	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	408726113	PJYRHPYJXQELTA-UYRXBGFRSA-N	376.456	4.813	50	40	GJGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2C1	36352341	ZFYSAVGGCFAPFH-GOEBONIOSA-N	381.526	4.524	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(N(C)C)cc1	408783258	LVRWIRCXKLNRTP-SDXDJHTJSA-N	385.467	4.850	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1	408966440	LRRREWXHCDHCCO-LGJNPRDNSA-N	399.416	4.936	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1	3089133	KDMFCXBJHBCWJI-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	408527541	BVKKPKANMGVGJJ-CFRMEGHHSA-N	394.393	4.657	50	40	GJGB	
O=C(N/N=C/c1cccs1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408728708	RSKGHAMBFIONOQ-SSDVNMTOSA-N	381.888	4.686	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1F)c1ccccc1	409245033	MKCSXDVAYQDGFT-PNWWAVQQSA-N	377.463	4.600	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1	409378658	RDNGSOXZYFKFFA-XDHOZWIPSA-N	391.858	4.980	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1C	4674726	NBTFLSKDMVVKQN-UDWIEESQSA-N	389.524	4.996	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl	33763011	CFDTUZUQAAFCLF-MDWZMJQESA-N	397.887	4.706	50	40	GJGB	
N#CC1=CN(c2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2S1(=O)=O	38653733	VDMWGAZSAKCMQK-UHFFFAOYSA-N	392.411	4.908	50	40	GJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409133254	POFRHPRKWVPABV-CIAFOILYSA-N	397.327	4.776	50	40	GJGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1	985850	GNAJMDUGMWWDEE-QGZVFWFLSA-N	376.485	4.555	50	40	GJGB	
COc1ccc([C@@H](Br)[C@@H](Br)C(=O)C(C)(C)C)cc1	1593865	BTDBQRMHANTBQI-VXGBXAGGSA-N	378.104	4.510	50	40	GJGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1	3113385	CRXMZDIWOUIPIV-LPYMAVHISA-N	381.273	4.604	50	40	GJGB	
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1	3885213	JFJHUEIAEMBBMB-NRFANRHFSA-N	378.859	4.765	50	40	GJGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)c1	4063684	NOTFYGQXPVLEHM-SDNWHVSQSA-N	378.413	4.703	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC	107751936	RDUXYNJJJQGWTR-VTGBELTLSA-N	395.286	4.943	50	40	GJGB	
N#CC1=C(c2ccc(Cl)cc2)Nc2c(-c3ccc(Cl)cc3)cnn2[C@H]1N	226759086	MELHYLGNVVLSPQ-GOSISDBHSA-N	382.254	4.675	50	40	GJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408802346	ZIQYLPPNBPSKCE-MHWRWJLKSA-N	384.863	4.929	50	40	GJGB	
CCc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1	409364473	PSRROXWQKVAXKP-ONUIUJJFSA-N	386.495	4.829	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C	1805577	AVERYTZIQJHZAZ-VHSSKADRSA-N	398.728	4.746	50	40	GJGB	
CCOc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CC[C@H](C)C3)cc1	3426850	UZKUSYQJJQGAHL-LBPRGKRZSA-N	391.920	4.680	50	40	GJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2C)o1	9201396	UMRMEAXQUQDJCD-ZVHZXABRSA-N	384.439	4.513	50	40	GJGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(Br)cc1	20248125	PDRCEMDWAJHMMB-ZXOFLVKFSA-N	391.334	4.611	50	40	GJGB	
CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	74941526	CMVFMJSJOJDCCT-MFKMUULPSA-N	383.355	4.883	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1ccc(O)cc1	107652846	DCKZVSAJTXNBBT-PDGQHHTCSA-N	388.398	4.656	50	40	GJGB	
CCN1c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2C(C)=CC1(C)C	208502225	RGMQBJBDYYJLLU-BKUYFWCQSA-N	385.511	4.932	50	40	GJGB	
CCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	408529125	GDRZFMVKSKJBHB-JLPGSUDCSA-N	376.456	4.791	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc(N2CCCC2)cc1	408677797	UYEQBLLXFUAANC-XQNSMLJCSA-N	391.496	4.795	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Br)c2O)c1	408746800	VVAOXDJWQVCVQK-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Cl)c2C)n1	409376442	ARZVBEDXWJRZNS-WOJGMQOQSA-N	378.863	4.808	50	40	GJGB	
CCC(CC)C(=O)Nc1cccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)c1	663069	RIKFKNYVMQFVDE-MFKUBSTISA-N	399.922	4.798	50	40	GJGB	
CCCc1[nH]nc2c1[C@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2	804141	PEVNNSNSOUXYLU-OAQYLSRUSA-N	397.482	4.708	50	40	GJGB	
COc1ccc2ccccc2c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1	948142	YQUYNBZLXNWDEF-SFQUDFHCSA-N	383.856	4.840	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12	4549982	ASDSWVCIQNNFGG-XMHGGMMESA-N	388.467	4.807	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(Cl)c2)cc1	4723084	WLXYBRVPLCDHTA-KPKJPENVSA-N	377.227	4.556	50	40	GJGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	31906022	XEADQMMXSJJDPD-SXGWCWSVSA-N	378.453	4.900	50	40	GJGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCc1ccccc1)[C@H](C)CC(C)(C)N2C	208217384	DDQYCIPDTAUGQR-UZQMFHLOSA-N	387.527	4.940	50	40	GJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(O)c2)cc1	3193517	VOMBKDCKAUOQPW-ZVHZXABRSA-N	382.504	4.635	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC	4525079	LQIGAKWGOAMNDC-LICLKQGHSA-N	396.874	4.940	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	59501734	IXKDVOQJQFQWOQ-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
O=C1Nc2ccccc2/C=N/[C@@H]2CCCC[C@H]2/N=C/c2ccccc2NC(=O)O1	68569602	VMNJSZSVGHUIHB-BSDFXCPASA-N	390.443	4.630	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(NC(C)=O)cc3)n2)cc1	100341266	JYVPAJDGHRRFPN-VBKFSLOCSA-N	390.468	4.754	50	40	GJGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2ccccc2c1	107770385	DDINYFSWRCLCLC-KGENOOAVSA-N	385.423	4.649	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	408783569	OTIVKGOBRHGPCL-PDGQHHTCSA-N	389.430	4.788	50	40	GJGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408860304	YIGHQCXMUBOVIT-HZHRSRAPSA-N	376.481	4.508	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(O)cc1	409248201	GTOONTXHJQPCKF-XESZTULISA-N	385.467	4.584	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc3c(c2)OCO3)cs1	5023328	RDADTKBDIXKYMU-WQLSENKSSA-N	383.379	4.794	50	40	GJGB	
N#C/C(=C\c1ccccc1OC(F)F)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	5071146	UVMBIIATNIFGHI-FMIVXFBMSA-N	399.422	4.529	50	40	GJGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCc1ccccc1)[C@@H](C)CC(C)(C)N2C	208217419	DDQYCIPDTAUGQR-UMUMUWHJSA-N	387.527	4.940	50	40	GJGB	
COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cc1ccccc1	408854382	DMKKTESHHQOXSR-XYGWBWBKSA-N	384.435	4.796	50	40	GJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)c3ccccc3)c2)cc1	409070661	OHKIYHKSQGWEPQ-ZHZULCJRSA-N	375.449	4.827	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)n1	409377834	LGWOFACCZWVKDE-SFQUDFHCSA-N	399.479	4.662	50	40	GJGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccncc3)cc2)c1	3276244	HBGVMVQLOKVJJW-CVKSISIWSA-N	387.483	4.856	50	40	GJGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20132798	IBZWTSYHSXAUPL-CYBMUJFWSA-N	396.354	4.789	50	40	GJGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(OC(C)C)cc2s1	20133030	OZPRCQDWIKYURZ-LBPRGKRZSA-N	385.327	4.976	50	40	GJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	20764295	ZOPDLTMVBWWGCB-BUVRLJJBSA-N	375.472	4.565	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(Cl)c1	59435264	BTYYULPDEXEKET-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)Cc1cccc2ccccc12	100923069	OOYNLRLATRRTNM-MFKUBSTISA-N	393.874	4.557	50	40	GJGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C	223542862	PNNAEXOLZBSUDG-GCMSVZMUSA-N	379.504	4.657	50	40	GJGB	
N#CSCC(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	226328110	AAPNVBLLDPKQQA-UHFFFAOYSA-N	378.240	4.954	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408778599	IEKUUPNNAFKCEJ-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1OCc1ccc(Cl)cc1	408858825	SZURZAHWVREBBX-DHRITJCHSA-N	393.874	4.695	50	40	GJGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@H]1c1ccccc1	985282	GVRDPXFKHXFRDH-QRWLVFNGSA-N	376.843	4.548	50	40	GJGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	3168322	IGWKLMMYCVZGQN-UHFFFAOYSA-N	375.229	4.732	50	40	GJGB	
O=C(N/N=C\c1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1	83309420	ACGPWGCLVYGWIG-YSMPRRRNSA-N	382.385	4.988	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc(Cl)ccc1O	5816424	RZLDCFWRVSXJPZ-UFFVCSGVSA-N	375.211	4.723	50	40	GJGB	
Cc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(C)c1O	6430888	JUGNWDJMCBXATO-VGOFMYFVSA-N	382.268	4.654	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccccc1O	59473496	IAPBZFOSJJGEOI-JJIBRWJFSA-N	390.508	4.980	50	40	GJGB	
COc1ccc(/C=C/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	408553803	PPMUXRHFUQUAQE-TUQJRISCSA-N	389.480	4.609	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Cl)cc2)c1	408847121	PIBDXCCAOBFHTD-QINSGFPZSA-N	377.831	4.685	50	40	GJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	1319413	PBKIPTGIWBODEX-HUSFYUSLSA-N	376.456	4.588	50	40	GJGB	
N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4063675	HSQKMEPYWOVPRQ-JLHYYAGUSA-N	393.384	4.603	50	40	GJGB	
FC(F)(F)c1ccccc1P(=S)(S)c1ccccc1C(F)(F)F	100398261	DWIFTDYUOZZLPO-UHFFFAOYSA-N	386.322	4.999	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc(F)c3)cc21	223476284	HIAXRDSVTPDVQS-AFUMVMLFSA-N	379.479	5.000	50	40	GJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C(C)C)c(OC)cc1C	408797697	COWRMLJGOPNETP-WOJGMQOQSA-N	378.472	4.990	50	40	GJGB	
N#C/C(=C/N1CCC(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1	58133832	IKDCYCSYDDHSSP-MNDPQUGUSA-N	379.891	4.641	50	40	GJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c1C	3405331	MOHQUAHLFRSUFO-GZTJUZNOSA-N	379.485	4.775	50	40	GJGB	
C=C(C)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2cc(Cl)ccc2Cl)c1	5517834	RIYRHIAGQUNMFZ-FSJBWODESA-N	390.270	4.662	50	40	GJGB	
C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1	33716023	DSHFBFHXOAFDKD-FOKLQQMPSA-N	389.282	4.989	50	40	GJGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408809877	SLCHVUBSFYNTRO-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1	408812104	BDVRZWZJPCKQKA-HMAPJEAMSA-N	399.494	4.635	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N2CCCCC2)o1	408999121	WKMJPNAHOKBEOF-HADWXUJASA-N	391.924	4.554	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	4210233	BCECTXTUVNLXKD-MHWRWJLKSA-N	382.847	4.768	50	40	GJGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccccc1O	5381558	PQUQLIYAVZLSCD-BUVRLJJBSA-N	388.492	4.736	50	40	GJGB	
BrC/C(=N\N=C(\CBr)c1ccccc1)c1ccccc1	6514074	OKSVKMYYVXABJN-VBGLAJCLSA-N	394.110	4.670	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1	9260290	HXORSJXEJIBGIW-AFUMVMLFSA-N	398.418	4.870	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	16688316	WALGVISJHLAHPF-XNTDXEJSSA-N	377.831	4.691	50	40	GJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408583864	XXTDBXHZJOCEGG-MHWRWJLKSA-N	398.256	4.542	50	40	GJGB	
COc1ccc(/C=N/NC(=O)[C@H](c2ccccc2)C2CCCCC2)cc1OC	408723688	ZWCHUPAGKHVEBD-ZHNJOBQTSA-N	380.488	4.518	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)N1CCCC1	409367508	CFRLAFPEPGYGHN-CJLVFECKSA-N	382.463	4.948	50	40	GJGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(C)=O	5022734	UWFXILVCFHONFX-SXGWCWSVSA-N	394.427	4.947	50	40	GJGB	
Cc1cccc(C)c1NC(=O)CSSCC(=O)Nc1c(C)cccc1C	5748143	ZBNQOARLARSPSA-UHFFFAOYSA-N	388.558	4.879	50	40	GJGB	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	59102291	DQQKUHHNOHXVNJ-FQEVSTJZSA-N	375.859	4.645	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2[C@@H](C)CC1(C)C	223528428	BYUBKJCPQBROQJ-WTJYETQFSA-N	379.504	4.571	50	40	GJGB	
COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl	408961435	CFLIPXWMMJXUCD-GZIVZEMBSA-N	391.176	4.785	50	40	GJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1	15357225	LHWDKSFDXPMOBQ-ZROIWOOFSA-N	383.860	4.834	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1	19849281	IVACOEJWVBKLSB-JAIQZWGSSA-N	375.906	4.582	50	40	GJGB	
O=C(c1ccc(Oc2ccccc2)cc1)[C@@H](Br)CBr	575359210	ZMRSBKXMHAOCLY-AWEZNQCLSA-N	384.067	4.820	50	40	GJGB	
CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1	672136	SACHDUMAQSOPBH-YZSQISJMSA-N	385.467	4.856	50	40	GJGB	
CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O	33155139	FHUHJXOXGGPQIT-GZTJUZNOSA-N	380.831	4.602	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)c(C)c1	409005186	DGQQBEAXCAHTJH-CVKSISIWSA-N	389.499	4.808	50	40	GJGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1	5462163	GNAJMDUGMWWDEE-KRWDZBQOSA-N	376.485	4.555	50	40	GJGB	
COc1cccc(S[C@@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)c1	5721555	MZUVRINKHHALQB-KRWDZBQOSA-N	390.508	4.745	50	40	GJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OC	207828953	YOGRMOOSEFMAHV-XGHPXPSOSA-N	384.863	4.532	50	40	GJGB	
CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	1242052	QHKXTBXJCVOJOU-IBGZPJMESA-N	390.874	4.696	50	40	GJGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)c1	2147932	OGTSGMJPVMDOPL-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3ccccc3C)C3=C2C(=O)CCC3)c1	6715036	NPRBGPYXPDMPPK-QHCPKHFHSA-N	383.495	4.917	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	59254506	OYONFRSMNXYZQK-SFQUDFHCSA-N	385.379	4.933	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cccs3)cc21	208251713	QLELOQVBXMJOLZ-WLQYJRLHSA-N	375.925	4.887	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1	408743429	ACUQWAOMNJUCMS-AQTBWJFISA-N	389.430	4.788	50	40	GJGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1CC=C	408983938	ORQLVNIFKJZCNE-RGEXLXHISA-N	390.870	4.935	50	40	GJGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(S)N1	4149623	YDUAHOQCNLLCFR-GOSISDBHSA-N	381.888	4.604	50	40	GJGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C(C)(C)C)cc1	106824790	SISXNCLNCLEALE-WGOQTCKBSA-N	399.494	4.638	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	408719657	ODPOSOQSRGCQOO-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2O)cc1	408746044	WTNOXZMOBKLVBZ-GHXNOFRVSA-N	377.227	4.643	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	408881813	OPSSYMUAGVWXPO-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3F)c3ccccc32)c1	408993080	CAEIPZPEDRULPV-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	409010719	DFJPQQMVEXHNTF-MFKUBSTISA-N	395.547	4.817	50	40	GJGB	
O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cc2cc(Cl)ccc2o1	409019172	YYSZAWZVWGDRIK-SCDVKCJHSA-N	383.618	4.863	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1	670472	GCSPCHLKXKPMSX-UHFFFAOYSA-N	386.904	4.927	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	4723452	FNQYCWFWSDWPBF-GHRIWEEISA-N	387.395	4.963	50	40	GJGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1	6626382	WREQTTPDGAWEAJ-ZDLGFXPLSA-N	388.383	4.975	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	20248378	NZVRZBZPQGQFIT-LPYMAVHISA-N	389.952	4.570	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccccc2COc2cccc(Cl)c2)c1	409079512	GJWHAIHIJIHKCP-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	805105	VENWMYDRHJTEPC-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F	948725	QZILBKCPADDTOO-NBVRZTHBSA-N	386.382	4.591	50	40	GJGB	
N#CC1=C(N)S[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1	16034562	QUCGQQOMMYOSLR-DWHHIFGZSA-N	382.504	4.504	50	40	GJGB	
O=C(Cc1ccc(Cl)cc1)N/N=C(/c1ccc(Br)cc1)C1CC1	17080036	MJMILHRMFWOOKC-RELWKKBWSA-N	391.696	4.576	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1ccc(C(=O)O)cc1	408544966	WISNAQGTCPWDAY-XKZIYDEJSA-N	380.403	4.900	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(O)c(Cl)c1	409209635	HKMHICYZVZLRID-FBCYGCLPSA-N	389.691	4.595	50	40	GJGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1	1104603	UALXDQQANUYJIF-CXUHLZMHSA-N	393.240	4.854	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1ccc(F)cc1	30822023	BJKDXMYLCVRZEY-CFRMEGHHSA-N	382.822	4.822	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3F)cc21	208251026	PJBISPXSGYEYFB-LFWZTCNZSA-N	387.886	4.965	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2C[C@H](c3ccccc3)CC=C12	4149571	MCKRCQNHIRZESC-PLMTUMEDSA-N	382.492	4.735	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(OCC)c1O	4705391	ZHHXUILPOUYXAX-UYRXBGFRSA-N	376.456	4.627	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1	14493912	NJYZOTKBRKXCEY-QGOAFFKASA-N	389.430	4.788	50	40	GJGB	
N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F	17078057	GLZQZGOIGLBVTA-GXDHUFHOSA-N	382.345	4.641	50	40	GJGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1	20348031	FUIMFQQUCKQBJO-HNAYVOBHSA-N	393.487	4.602	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccn2)cc1)C(=O)c1c[nH]c2ccccc12	40139663	HKYIJIQDXFRAON-QGOAFFKASA-N	379.419	4.932	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1	408789278	IGYJJUJRGLQKGI-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409380143	JCBCWPJRRLYZQJ-FOKLQQMPSA-N	394.302	4.626	50	40	GJGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1	2272060	JNZUMSDAYMLCAB-FQEVSTJZSA-N	390.874	4.615	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc2ccccc12	6283528	LZDPMYYDPYMKJC-OVCLIPMQSA-N	376.799	4.768	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1C	33296117	MTORWNWKELZKSC-PDGQHHTCSA-N	386.407	4.807	50	40	GJGB	
FC(F)(F)C(F)([C@@H]1CCCC[C@@H]1I)C(F)(F)F	63148598	MPDWEHWICQEPCD-RITPCOANSA-N	378.069	4.813	50	40	GJGB	
C=CCc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(OCC)c1O	135828135	KVAOVZRNWKNHGH-MFOYZWKCSA-N	398.466	4.528	50	40	GJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc21	223476363	BVKAAKMNSCNCHC-AFUMVMLFSA-N	379.479	5.000	50	40	GJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccccc2)cc1	6047669	ZPPXUTDPGAQFMA-PXLXIMEGSA-N	397.430	4.842	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OC)c1OCc1ccc(Cl)cc1	6735793	WHSNIGWUOTYBCH-YVLHZVERSA-N	398.915	4.849	50	40	GJGB	
O=C(N/N=C\c1ccccc1OCc1ccc(F)cc1)c1cc2ccccc2o1	83315531	SDORLTIOQWWMNA-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccccc1	409053331	BXIDRMVMNSAYER-WUXMJOGZSA-N	379.051	4.981	50	40	GJGB	
C=CCNC1=C(C#N)C2(CCCCC2)C(C#N)=C(SCc2ccccc2)N1	67257834	XNIFSGHFSJDCPA-UHFFFAOYSA-N	376.529	4.719	50	40	GJGB	
N#C/C(=C/c1cc2ccccc2o1)S(=O)(=O)c1ccc(Br)cc1	96019602	UGULSKWCFDRJRQ-YBEGLDIGSA-N	388.242	4.534	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(O)cc3)cc21	208249226	ZPQPPSZCFIHXON-ZXCVBSDHSA-N	385.895	4.532	50	40	GJGB	
Cc1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1801154	ICHPWJGIPGNRPL-LSDHHAIUSA-N	397.110	4.833	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1	5728443	ULHCMVMGXBNZAR-RQNDZEIBSA-N	376.847	4.514	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1	6617420	SUFVIGHFUSPWBS-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)s1	38199865	LJUONUXYEWDVQS-NVMNQCDNSA-N	381.935	4.644	50	40	GJGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NC1CCCCC1	408762310	DOJNEBHTBAVYGE-UVTDQMKNSA-N	398.846	4.654	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C	409229479	PQLYEGANTPLHIC-MXAYSNPKSA-N	397.881	4.888	50	40	GJGB	
N#CSc1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1	980627	LYAPSJAALPFNSK-UHFFFAOYSA-N	390.287	4.884	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2Cl)sc(C)c1C	1453412	HTPPWYHMESHTTF-NTEUORMPSA-N	388.876	4.741	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C(C)C)c1	3217855	DJRUUYYGYKCJQV-BHGWPJFGSA-N	378.394	4.666	50	40	GJGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1sc2ccccc2c1Cl	3310130	QXHUOTWBIJQGSE-ZVBGSRNCSA-N	380.803	4.920	50	40	GJGB	
O=C(CCl)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	3887624	ITGIDOWHENJHKI-AWEZNQCLSA-N	381.690	4.962	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccccc1Cl	59232863	YYRZDRDLZDNVOV-GZTJUZNOSA-N	396.874	4.503	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2cc(Cl)ccc2s1	96998094	KDCBNNPJOXAGPS-PTNGSMBKSA-N	381.888	4.850	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	408727361	PUJLRBWXWVZQPG-WXUSHSQQSA-N	389.952	4.817	50	40	GJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C	408747201	KKOXVEIIJZVRON-UCQKPKSFSA-N	383.495	4.934	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@H](C)CC)cc3)cc2c1	409185016	PMKGQJUDJRCCIE-JNCAFBRLSA-N	380.444	4.773	50	40	GJGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	409242662	XMCOLQHROHXMMA-HYARGMPZSA-N	391.452	4.818	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)c(OC)c3)n2)cc1	1245212	KWVUTMYSNIAXEB-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
C[C@H](Br)C(=O)C(CCCN(C)C)(c1ccccc1)c1ccccc1	1577625	YYXKJOTWBKSNBS-KRWDZBQOSA-N	388.349	4.667	50	40	GJGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1	2697935	QXZDPKFQUMXTIV-OAQYLSRUSA-N	378.431	4.788	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	3167360	BKVJOJQQXMBRPX-UPMNJHNBSA-N	390.483	4.936	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(O)c2ccccc2n1	5091849	RUKDLNXYGCYMMT-RGEXLXHISA-N	379.419	4.979	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c(C)c1	6044252	MRDWJRSMQSAVKY-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2cnn(C)c2)c2ccccc21	21791504	YZZOQTFGGXZHTA-CPNJWEJPSA-N	380.451	4.852	50	40	GJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1cccc(C(F)(F)F)c1	59473349	CZGMQMOHVHPQRV-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(C)C)c(Br)c2)cc1	408601653	LFTINDZGTSRGTG-SRZZPIQSSA-N	389.293	4.556	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408755025	MCZKVSANKIQPPL-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C)c3)c2C)cc1Cl	409063059	GGMDHOPRJOCJLY-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	3140033	ZZFVJCWRUFWFTN-SSDVNMTOSA-N	379.287	4.820	50	40	GJGB	
Cc1ccc(/C(=N/NC(=O)c2cc3ccccc3n2C)c2cccc(C)c2)cc1	4600041	WSBCVEAYUDPEQG-LCUIJRPUSA-N	381.479	4.978	50	40	GJGB	
Cc1c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccccc1	4710696	JPFVTZSHLLRDFL-XSFVSMFZSA-N	395.462	4.814	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC(F)F	7000973	HWGFPVHHYXZHBH-IZZDOVSWSA-N	375.762	4.890	50	40	GJGB	
O=C(NNc1ccc(Br)cc1)c1ccc(SC(F)(F)F)cc1	32752825	KERZASJFBATDQN-UHFFFAOYSA-N	391.212	4.818	50	40	GJGB	
O=P(c1ccccc1)(c1ccccc1)N1NN=N/C1=C/c1ccc(Cl)cc1	100358282	JCMDJAYOOCOWHW-HKWRFOASSA-N	394.802	4.755	50	40	GJGB	
CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)c3ccc(C)cc3)c2c1	409008153	URTHADSNDGCCLX-IWIPYMOSSA-N	376.456	4.710	50	40	GJGB	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nn(-c2ccccc2)c(N)c1C#N	4474841	GRHUROXYKKQVAE-UKTHLTGXSA-N	380.238	4.697	50	40	GJGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	4600075	AWYGQSIFVLTRQF-LDADJPATSA-N	398.890	4.751	50	40	GJGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2)cc1	5491115	UNSDNABZABTDQO-OAQYLSRUSA-N	392.414	4.678	50	40	GJGB	
C=CCn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21	6295909	XLKNZKZSEVMATI-WSDLNYQXSA-N	383.904	4.723	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	408600288	YCDJUZRNMOKTQB-YZSQISJMSA-N	384.479	4.913	50	40	GJGB	
COc1cccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)c1	408730997	XMVUDDDJKFIAKY-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(N)=O	408877626	WJNDHRGTLJXKJL-LFYBBSHMSA-N	381.646	4.618	50	40	GJGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	409354119	YKTLQLXRBIKFEX-GDNBJRDFSA-N	385.217	4.986	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1	1454105	LAFSMFFMORYVQN-RIYZIHGNSA-N	383.860	4.834	50	40	GJGB	
C[n+]1ccc(/C=N/c2ccc(N(CCCl)CCCl)cc2)c2ccccc21	1696821	JTTDXQYZTGLNDC-UHFFFAOYSA-N	387.334	4.699	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1	17118674	JALFDPXWHNOZGQ-RHYTWENESA-N	391.471	4.811	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216188	WMNONTSGWXGYCF-YDZHTSKRSA-N	397.931	4.990	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br	28699942	GQJQTBQHPDWCDU-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)s1	47655287	HMJYOFCOQCWOFL-UHFFFAOYSA-N	396.453	4.690	50	40	GJGB	
C[C@@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	95682094	WLYIWDUYKMKZDR-DMTCNVIQSA-N	388.011	4.668	50	40	GJGB	
CCO[Si](C)(CCCOc1ccc(C(=O)c2ccccc2)c(O)c1)OCC	196633041	OEULNECDCPKHKS-UHFFFAOYSA-N	388.536	4.537	50	40	GJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	208437674	NHWCDDZWVPFPHS-YZSQISJMSA-N	398.510	4.873	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	408772640	GKXYMLSQBFKRRC-NVNXTCNLSA-N	376.287	4.833	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)o1	408816590	UYJIACBMWGDCTI-QHIKPZILSA-N	393.443	4.765	50	40	GJGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1	408958250	YAELRLMEPWRPKS-LCFSLDLLSA-N	386.879	4.885	50	40	GJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408997219	LZMJHRHGNITLMC-LDADJPATSA-N	392.459	4.604	50	40	GJGB	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1	409238542	AUTKYBYYVXQRQW-ATVHPVEESA-N	388.389	4.615	50	40	GJGB	
CCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615181	AAOLEUVEWYWZIG-YMTOWFKASA-N	394.103	4.819	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1	2305944	ULSOCAXQMQGFJC-KRWDZBQOSA-N	398.249	4.826	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccs4)CC(=O)N3C2)cc1C	4412428	CPYYABBMKADIBH-INIZCTEOSA-N	381.526	4.584	50	40	GJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1cccs1	5777286	NUDQFPZGFPMECI-BUVRLJJBSA-N	399.475	4.918	50	40	GJGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc21	208456708	XRUXTKIUAAQGQU-MTJSOVHGSA-N	385.511	4.850	50	40	GJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccnc2)cc1	408844302	HWDXWMIYEJVTEH-ONUIUJJFSA-N	380.451	4.612	50	40	GJGB	
C/C(OC(=O)c1ccc(C)cc1)=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	1398058	VPCWKMXCCIVVJE-GHRIWEEISA-N	388.345	4.607	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2C[C@@H](c3ccccc3)CC=C12	4115199	MCKRCQNHIRZESC-YRISNDGFSA-N	382.492	4.735	50	40	GJGB	
COc1c(Br)cc(/C=C(/C#N)c2ccccn2)cc1Br	5549970	PLKORTXHPYLYAB-WDZFZDKYSA-N	394.066	4.679	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(F)c(N2CCCC2)cc1C	107948175	DIDZFVSFHIVSBO-MFOYZWKCSA-N	399.473	4.743	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O	408581432	WQCVEIZIFGYYNR-WUXMJOGZSA-N	378.211	4.530	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2ccccc2nc1Cl	408728389	KYBIXPRHDKEAJJ-UFFVCSGVSA-N	390.295	4.784	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCC	409067580	FNYIWJOOOYMUPF-DEDYPNTBSA-N	390.483	4.985	50	40	GJGB	
CC1(C)CC(/C=C/c2ccccn2)=Cc2c1sc(NC(=O)CCl)c2C#N	12504629	GWXDPTMXICDLKH-VOTSOKGWSA-N	383.904	4.970	50	40	GJGB	
COc1c(Br)cc(/C=C(\C#N)c2ccccn2)cc1Br	16958417	PLKORTXHPYLYAB-IZZDOVSWSA-N	394.066	4.679	50	40	GJGB	
Cc1cc(C)cc(NC(=O)CSSCC(=O)Nc2cc(C)cc(C)c2)c1	27490443	NIVYQCGDASUEQI-UHFFFAOYSA-N	388.558	4.879	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1-n1cccc1	33748600	UXNRFMMLIIRZFJ-ITYLOYPMSA-N	395.462	4.820	50	40	GJGB	
Cc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc(C)c1O	48253897	JUGNWDJMCBXATO-AUWJEWJLSA-N	382.268	4.654	50	40	GJGB	
CC[C@H]1C(C#N)=C(S[C@@H](C(N)=O)c2ccccc2)N=C2CC(C)(C)CC(O)=C21	102917679	DLAKKAFRLIIJJZ-IFXJQAMLSA-N	395.528	4.794	50	40	GJGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(F)c3)cc21	208251473	YYISGOBSXOBOIV-ZGUVFNMESA-N	387.886	4.965	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1	408726613	OTLBQSDCENGJMN-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
Cc1cccc(-n2cccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408967259	PPGXEUFKXSOPJY-DHRITJCHSA-N	385.389	4.877	50	40	GJGB	
CCOC(=O)c1c(NC(=O)[C@@H](Cl)c2ccccc2)sc2c1CCCC2	844843	JQYDKSAHCFSFAM-INIZCTEOSA-N	377.893	4.722	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1	6720786	KUUUSIMYURTTCR-LJQANCHMSA-N	384.483	4.901	50	40	GJGB	
C/C(=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc(Cl)cc1	6780353	HAMQTCXSDSFQGJ-CFRMEGHHSA-N	396.922	4.685	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	15222560	JCECJKGVCLZFFS-JXAWBTAJSA-N	392.455	4.594	50	40	GJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C	208214897	SWXJPQXIZGPFSW-YSGZUTGPSA-N	393.531	4.798	50	40	GJGB	
Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	575414537	JOQZEKHGISRPLP-SJORKVTESA-N	389.590	4.832	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	4173350	GDQOFHFYFBPUJE-GXDHUFHOSA-N	385.807	4.583	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1	4815529	IBHXXBHKZXNOGB-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
O=C/C(=C/Nc1cc([N+](=O)[O-])ccc1Cl)c1nc2cc(Cl)ccc2o1	5568311	ZMYRQNRWTAVUDS-CLFYSBASSA-N	378.171	4.695	50	40	GJGB	
COc1cccc(COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)c1	14675441	CSGORZWTYHXCFP-FYJGNVAPSA-N	380.488	4.810	50	40	GJGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1cccc2ccccc12	58823082	RQHNUGVSRPXTGR-ZMOGYAJESA-N	396.874	4.941	50	40	GJGB	
FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)F	103528759	YKXZOQHQZHGTAY-UWTATZPHSA-N	391.974	4.575	50	40	GJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208437633	POJVLBYFWDIRLU-CVKSISIWSA-N	399.494	4.941	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl	408540938	CZDNOUDTHLHLSN-LWLPBDFMSA-N	398.846	4.761	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1	408796798	PYEPIGJDDMCBHU-HYARGMPZSA-N	393.446	4.991	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	409247010	FTUOCNGRWUDFAJ-LGMDPLHJSA-N	395.890	4.885	50	40	GJGB	
Cc1ccc(OCCSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1	6477138	LQGXHDQSMQRCBA-GOSISDBHSA-N	398.915	4.799	50	40	GJGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C	408742369	OOGMXDSRJCLXDQ-UYRXBGFRSA-N	399.450	4.646	50	40	GJGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)c1	408859769	YVZMMQRIAABPAK-OYKKKHCWSA-N	395.890	4.531	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(N)=O	408874260	ASQWHPZKDQEILA-LFYBBSHMSA-N	381.646	4.618	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	5490739	GCSWUYKDOPWLAJ-MRXNPFEDSA-N	396.372	4.622	50	40	GJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)c(Cl)c1	5873985	BJELYTTVRFZYFE-KEBDBYFISA-N	395.684	4.574	50	40	GJGB	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C(/C)c3ccc(Cl)cc3)c2C)cc1	9123729	OPIJJRSTMGTJIK-UCQKPKSFSA-N	396.878	4.591	50	40	GJGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	12062438	QGQDTHRHEHCINJ-SXGWCWSVSA-N	378.453	4.900	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2OC(C)C)cc1	216064181	IOWPXOADEQWXDN-BUVRLJJBSA-N	398.503	4.814	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c1C	408791725	BMUCDOIQJZAKFL-FOWTUZBSSA-N	386.407	4.807	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)NC1CCCCC1	4511428	YYWLEEFEJIERTG-OEAKJJBVSA-N	385.895	4.885	50	40	GJGB	
CCOC(=O)c1sc(/N=C(O)/C(C#N)=C/c2ccc(C(C)C)cc2)nc1C	9013040	KOPRYAWHTLVLPW-MHWRWJLKSA-N	383.473	4.947	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12	9201240	QAIRTVLRRJTVHJ-JFLMPSFJSA-N	392.462	4.634	50	40	GJGB	
CCOc1c(Br)cc(/C=C(\C#N)c2cccc(C#N)c2)cc1OC	28515383	TXBUGFBYTSQLTO-LZYBPNLTSA-N	383.245	4.792	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1Cl	408733885	CCPPVQQWFWKMHK-MDWZMJQESA-N	375.653	4.957	50	40	GJGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cccc(Oc2ccccc2)c1	408767530	YFLXTMWGCQLWCJ-WGOQTCKBSA-N	397.434	4.556	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C	408994489	GFBWXANZTLDWKJ-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1	900714	PODLPHBJLBFJHW-LJQANCHMSA-N	398.853	4.963	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1O	4175010	TVCZDTKRNBAOHI-CXUHLZMHSA-N	378.453	4.987	50	40	GJGB	
CCCCCCc1ccc(OCCOc2ccc(/C=N/NC(C)=O)cc2)cc1	5860500	LBULKJMRSQAJGC-HKOYGPOVSA-N	382.504	4.737	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OC)c2ccccc12	6230267	CCMQXBGWGBQTIO-MFKUBSTISA-N	384.435	4.774	50	40	GJGB	
Cc1nn(-c2ccccc2)c2nc(NCc3ccccc3)c(C=C(C#N)C#N)cc12	26780179	RFFFUBDQNNNUJI-UHFFFAOYSA-N	390.450	4.772	50	40	GJGB	
CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)CC1	27016088	JJCBOOWUAPQHDL-PGMHBOJBSA-N	396.494	4.705	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2ccccc2c1	38496259	AOZKYVQWCKFAAL-OEAKJJBVSA-N	385.379	4.772	50	40	GJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1ccc(C(=O)O)cc1	408545185	ZQYATTKNJYFBDH-XGICHPGQSA-N	378.609	4.570	50	40	GJGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	408890277	QSVTYEMLDQGLSA-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1	1777084	ZBPKYICDEUVXBA-CPNJWEJPSA-N	393.398	4.973	50	40	GJGB	
Cc1cccc(NC(=O)CSSCC(=O)Nc2cccc(C)c2C)c1C	1806519	IXSOKIAWYRYUAQ-UHFFFAOYSA-N	388.558	4.879	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cccs1	4724348	DNZMWELGZGZIGR-VCHYOVAHSA-N	375.247	4.535	50	40	GJGB	
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1cccc(F)c1	5523181	GRCDWLIMBGBCGC-SXRSNHDLSA-N	392.478	4.762	50	40	GJGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCC	6959636	WCHWAOZWXQUMGZ-OEAKJJBVSA-N	386.879	4.630	50	40	GJGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(C(F)(F)F)cc1	409122855	CABNQOIGWPHIHJ-WJDWOHSUSA-N	376.353	4.745	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2O)cc1	4539861	CTETVEZLYXLCKO-WUXMJOGZSA-N	391.652	4.662	50	40	GJGB	
O=C(NNc1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1	5674819	PVRONOACSUXNDP-UHFFFAOYSA-N	375.053	4.905	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(F)cc1	8812044	RSQDRZBFKLAQAN-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1O	33336478	LQPYSIDNODABHK-FBHDLOMBSA-N	375.211	4.723	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)cc3OC)n2)cc1	34744199	SSGBOWUZNZLJMR-YBEGLDIGSA-N	378.453	4.900	50	40	GJGB	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1	59116644	ZDZDZCYVQFVVGM-MHWRWJLKSA-N	375.497	4.970	50	40	GJGB	
COc1cccc2c(/C=N\NC(=O)c3ccc(C)cc3)c(-c3ccccc3)[nH]c12	408828423	MMUORTNBQFCSGT-MYYYXRDXSA-N	383.451	4.916	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(C)C	409052124	QLZUKMQXZWFDCO-FSJBWODESA-N	388.895	4.846	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl	409175718	AYIZTYMKFLFIIA-ZMOGYAJESA-N	397.261	4.923	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1	1047272	DBPMWCBCBYBHEK-UHFFFAOYSA-N	395.450	4.634	50	40	GJGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1	3088526	VSDZVDHGWPKWFW-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N	4922643	ZCBYJXUTKBYQGC-GOSISDBHSA-N	395.915	4.868	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	33922337	PCOGTKLEVHKQAL-LDADJPATSA-N	388.383	4.975	50	40	GJGB	
O=[N+]([O-])c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	100441303	SBLUOKLJEBGJDF-UHFFFAOYSA-N	399.430	4.821	50	40	GJGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)c1ccc(Cn3cc(Cl)cn3)cc1)C2	103735921	YGYFFKUTSVRNMU-MDOCWUOHSA-N	384.911	4.517	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	1453927	PPQLKMJFNXEUAA-XYOKQWHBSA-N	391.652	4.657	50	40	GJGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	4819113	KWJUKGCFGQNYMF-LFIBNONCSA-N	390.424	4.897	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(=O)NC2CCCCC2)c1OCc1ccccc1	9933378	TWOXNHXQFXQCHZ-HMMYKYKNSA-N	390.483	4.630	50	40	GJGB	
CCOc1cc(C(=O)N/N=C2/C[C@H](C)CC(C)(C)C2)cc(OCC)c1OCC	35153818	ULNPFEBKQPYDBP-ADSWHHSESA-N	390.524	4.815	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1cccc(C)c1	408806350	BCXOCODVBPECFJ-KOMLCTQHSA-N	392.499	4.794	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)c1	408882925	PNWCEHIDELTANV-CXUHLZMHSA-N	399.288	4.956	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)nn1-c1ccccc1	408892859	KFWZCEOYAWNGCY-ZVHZXABRSA-N	394.906	4.896	50	40	GJGB	
O=C1c2cc(Cl)ccc2-c2c(NC(=O)C(Cl)Cl)cc(Cl)cc21	1699684	XLCZDRYOQNCGHD-UHFFFAOYSA-N	375.038	4.947	50	40	GJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccccc2)cc1	3243778	DYMXGKJXYNNWIW-MZJWZYIUSA-N	397.400	4.935	50	40	GJGB	
COC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	6372027	YKCRSFRDDNBALS-HMAPJEAMSA-N	399.446	4.925	50	40	GJGB	
CC/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1cc(F)ccc1O	25390005	OSVWRWJNWLZONV-LKUDQCMESA-N	397.425	4.622	50	40	GJGB	
N#C/C(=C/c1ccc(Br)o1)C(=O)Nc1cccc(Cl)c1Cl	59335959	ALSOPWLZUNPJDX-VURMDHGXSA-N	386.032	4.895	50	40	GJGB	
N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)c1ccc(Cl)c(Cl)c1	408588478	WLFZMQMICCXMIG-NTEUORMPSA-N	384.266	4.888	50	40	GJGB	
Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc21	872792	XSUQYBWABRTCDY-CAPFRKAQSA-N	399.494	4.558	50	40	GJGB	
Cc1ccc(NC(=O)N(NC(=O)NNc2ccccc2)c2ccccc2)c(C)c1	1573813	TZLUSNVKTSCAAD-UHFFFAOYSA-N	389.459	4.583	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc(Cl)c1Cl	4473371	RFLZMKDJMRKPQH-AWEZNQCLSA-N	383.238	4.602	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1	4784559	QSKDGNUOLDQNRP-NHDPSOOVSA-N	387.208	4.612	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1	6967169	ZRQXNEBDLCKYQE-JFLMPSFJSA-N	392.462	4.634	50	40	GJGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccc(C)cc3C)cc2)cc1	216040013	GUQUSGVWGLUCKJ-QQXSKIMKSA-N	386.495	4.884	50	40	GJGB	
CCOC(=O)/C=C/c1ccc(OC)c(Oc2ccc(CBr)cc2)c1	2380499	HLOHLFWBELKCGZ-YRNVUSSQSA-N	391.261	4.959	50	40	GJGB	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c1	6715032	KGDZOSIQYBKPNP-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(C)C	408735931	ZMRHDYMDTZOLGE-CXUHLZMHSA-N	384.863	4.929	50	40	GJGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408745674	UXCDZXAXGPNZRA-RAXLEYEMSA-N	380.245	4.785	50	40	GJGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc2ccccc2c1	408764209	LRAVOAKABILKBB-YZSQISJMSA-N	394.430	4.823	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OC	408890149	OQQFBUHWUKMCJO-YDZHTSKRSA-N	382.847	4.664	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1	409230950	HDSHVMIPAQZWSE-MLJKTZRHSA-N	394.272	4.715	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	409364393	WWQOXAUQVYKHMY-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
Cc1ccc(NC(=O)CSSCC(=O)Nc2ccc(C)c(C)c2)cc1C	1806520	OWTSBTWTCFOQFB-UHFFFAOYSA-N	388.558	4.879	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl	3277552	SFYZDQSKEGHKGD-NTCAYCPXSA-N	377.831	4.663	50	40	GJGB	
C=CCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	4816056	XHUQUGWZMQQBFQ-LJQANCHMSA-N	377.469	4.533	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	4995923	JYKJHMGPHOKTOY-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc1	5490066	JXIAPMWQLRYTGZ-INIZCTEOSA-N	394.887	4.670	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	1103004	IDIDPTGWTDTJSP-XSFVSMFZSA-N	384.435	4.777	50	40	GJGB	
CCCCc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1	3898130	DWPZWOOMJMMJJO-UHFFFAOYSA-N	378.516	4.764	50	40	GJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cc(Br)cs3)c2c1	40139907	CSMGVUVWCKSNQS-ONNFQVAWSA-N	387.258	4.790	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc(OC)c1OC	40140006	LNTKLIOVKSSNLI-MLPAPPSSSA-N	396.830	4.637	50	40	GJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Br)c1	59473656	YRIWHYIOZRABQE-VURRPDKYSA-N	397.725	4.733	50	40	GJGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2C1	102026216	ZFYSAVGGCFAPFH-GDBMZVCRSA-N	381.526	4.524	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)[nH]c2c1	409390354	CONOEERIBMSMEX-GDNBJRDFSA-N	399.406	4.902	50	40	GJGB	
CC(=O)Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	3213358	HWAWQXVSPNOOKS-MFKUBSTISA-N	381.435	4.715	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(C)c1	408909795	IFWVPMATOBWNJY-PCLIKHOPSA-N	390.483	4.638	50	40	GJGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	706164	UXYNTRWRCXWRBE-QGZVFWFLSA-N	397.265	4.706	50	40	GJGB	
C[C@H](Br)C(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1	1593255	NTOOIIIBTHLCIJ-SJORKVTESA-N	388.349	4.665	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1ccc(Cl)cc1	4363459	NPZZVYVKISFUIY-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2[nH]1	5071083	GPYNINKQKSVCBZ-JLHYYAGUSA-N	377.810	4.914	50	40	GJGB	
N#C/C=C1/S/C(=N/Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1	96941216	QCSRVCCXIPSPRO-URBRYEPJSA-N	388.374	4.576	50	40	GJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)cc1	108025057	IZHBLKLJASBBGG-CPNJWEJPSA-N	396.450	4.821	50	40	GJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1	408731197	YKPDSWXLMXOQNB-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
Cc1sc(-n2cccc2)c(C(=O)NNc2ccccc2C(F)(F)F)c1C	60742096	OSSZKURKHOTXIT-UHFFFAOYSA-N	379.407	4.931	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)n1	408811196	KQBJEYZEHMPSDH-XDHOZWIPSA-N	391.858	4.980	50	40	GJGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/C=C/c2ccccc2)cc1	409001336	HUJDGUIPGDVPCX-ALRKKBJSSA-N	383.451	4.676	50	40	GJGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(F)c1	409251627	VBNFOCIQTLNASW-WGARJPEWSA-N	389.405	4.732	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	409364429	XEIHVUYZVZPWPB-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	657781	BTPSQUIZLIAKPC-YDZHTSKRSA-N	382.847	4.664	50	40	GJGB	
CCCCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1	3127097	QWQCJUUMCMDBTA-KGENOOAVSA-N	389.293	4.782	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	3319741	IRPWCHDYDCQWDB-XSFVSMFZSA-N	398.418	4.509	50	40	GJGB	
CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	6397772	SKDGECZUVJGQGO-GDNBJRDFSA-N	399.834	4.973	50	40	GJGB	
O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)Nc1ccccc1	83323696	OIGRJCDCNUXQEI-UQQQWYQISA-N	398.466	4.876	50	40	GJGB	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1	409364700	OUCAJTVTIDCKFD-ZSOIEALJSA-N	390.351	4.656	50	40	GJGB	
CC(C)OC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccs1	40161567	IFYGJICMDILQAO-BOPFTXTBSA-N	377.469	4.518	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	408811697	WDGOPXPROZLZAH-CAPFRKAQSA-N	380.447	4.960	50	40	GJGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1c(O)ccc2ccccc12	2100777	PXDXAUOKFYVERK-BBMHEYIBSA-N	395.890	4.848	50	40	GJGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1	4922855	NTSJQIUNEHOEQJ-KRWDZBQOSA-N	393.487	4.608	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3OC)n2)cc1	5044305	NIDZOVLMIBQEDY-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)cc1	6295500	WENCSYYCTMWHML-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccccc1	6496153	YOYQCGUMBGZXEM-MRXNPFEDSA-N	399.313	4.721	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	59410744	VXLQHKRDUIDAHI-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	3109520	XSSYKNXDRRIXPG-SRZZPIQSSA-N	376.909	4.511	50	40	GJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccccc1Cl	4922981	ALOUOICPOXTRCA-MRXNPFEDSA-N	381.888	4.559	50	40	GJGB	aggregator
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cn1	6247776	XCYFKLXREBHSFG-GDNBJRDFSA-N	391.358	4.994	50	40	GJGB	
CC(C)C[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1	137319139	OQSVWOIMWXPDER-FQEVSTJZSA-N	387.463	4.636	50	40	GJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408826498	DNVHJWMUALHESB-VXLYETTFSA-N	398.271	4.534	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(O)cc1	409066572	LPUSKPATSOCWQZ-LPYMAVHISA-N	382.872	4.961	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccccc1Cl	409143268	MLLPQBCQNSEURK-BUVRLJJBSA-N	379.891	4.830	50	40	GJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(Cl)c(Cl)c1	1310424	UAJWVLVWNIMBMB-UFFVCSGVSA-N	394.283	4.767	50	40	GJGB	
O=C(NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccc(Cl)c1	5273195	ZHAOGPQQLBQUIS-LJQANCHMSA-N	396.899	4.635	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1OC	5654037	RYKMXZLKTJRUAT-GXDHUFHOSA-N	390.361	4.658	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	6326267	DNCRGXPAUJDBNS-ATVHPVEESA-N	383.407	4.756	50	40	GJGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	59433303	VYLHMXMILPUJGX-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccnc1	408974157	WANHEWQJRIILCY-DHRITJCHSA-N	388.858	4.502	50	40	GJGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)cc2)cc1	409385680	JEFCLTDYJNBSIL-HMAPJEAMSA-N	385.467	4.670	50	40	GJGB	
O=C(CSCc1ccccc1Br)NN=C1CCCCCCC1	655442	DAYJIDLWWYCAQC-UHFFFAOYSA-N	383.355	4.899	50	40	GJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)nn2-c2cccc(C)c2)cc1	408724050	DENUOTCFGREWGC-YZSQISJMSA-N	394.478	4.920	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)c1	408763448	FHGVAXCQKJAOLP-VULFUBBASA-N	388.515	4.582	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1	408792678	BJSQUNKXQZEXCH-RIYZIHGNSA-N	386.238	4.750	50	40	GJGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	939416	XDELEMJXYFPSFK-CXUHLZMHSA-N	379.872	4.933	50	40	GJGB	
CC[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cccc(Cl)c1	2100600	IKSOKXALVMDWFU-PZUDMAOCSA-N	389.933	4.971	50	40	GJGB	
O=C=Nc1ccc(-c2nc3c4c(ccc3s2)C(=O)c2ccccc2C4=O)cc1	4266069	RQHBUUCZAXNZBM-UHFFFAOYSA-N	382.400	4.706	50	40	GJGB	biogenic
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	5984772	MGYNEGFEOOZGPN-XMOVILSBSA-N	397.456	4.751	50	40	GJGB	
N#C/C(=C\c1ccccc1OCC(=O)O)c1nc(-c2ccc(Cl)cc2)cs1	12745700	HOPOTXAEHMBHCB-OQLLNIDSSA-N	396.855	4.991	50	40	GJGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2cccc(F)c2)cc1	19830852	QPXYFOGXBSQKIE-GAJHUEQPSA-N	388.442	4.719	50	40	GJGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	5379934	WSOLPOCNVLENND-UHFFFAOYSA-N	386.495	4.577	50	40	GJGB	
CC(C)(C)OC(=O)N[C@H](CCBr)c1ccc(Br)cc1	35633066	UAPISCZVBFRXLT-GFCCVEGCSA-N	393.119	4.800	50	40	GJGB	
CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCBr)cc1	225744614	YEFUMCRLWAVFBC-GOSISDBHSA-N	386.330	4.774	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(F)c2)o1	409215287	WXYAJPZETLOKPR-SSDVNMTOSA-N	388.851	4.982	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1Cc1ccccc1	409230202	CJSBRDYXHPNUPT-OQLNFPPLSA-N	383.495	4.938	50	40	GJGB	
C/C(=N\NC(=O)c1cccc(Cn2nc(C)cc2C)c1)c1ccc2ccccc2c1	6189238	SOYKEDFYVKJEDV-LGUFXXKBSA-N	396.494	4.855	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	7164586	PRJJNVHJVUWQTB-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1C(C)(C)C	8300898	VWCWMOPGWOSQPL-SRZZPIQSSA-N	398.488	4.747	50	40	GJGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1OCC	408719225	NSQRPEPNFZSJTH-QFNCUCFLSA-N	386.517	4.505	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409236549	STEOCZKEQXEAEM-XGHPXPSOSA-N	384.863	4.532	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1	985297	KKKHFEQAEDBSAI-QVKFZJNVSA-N	390.870	4.857	50	40	GJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	7164500	BBGQFVKNZYGAKV-XSFVSMFZSA-N	385.467	4.957	50	40	GJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C\c1cccc(Oc2ccccc2)c1	32929278	ZHBWYUNXLKLAFS-OYKKKHCWSA-N	379.847	4.695	50	40	GJGB	
CC1=C(C#N)[C@@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)O)=C(C)N1	68606487	ANPHJQQRAHPJLZ-HSZRJFAPSA-N	381.435	4.745	50	40	GJGB	biogenic
CCO/C=N/C1=C(C#N)[C@H](c2ccccc2)c2c(C)nn(-c3ccccc3)c2O1	101521535	ANFPAADFEULFLS-XAOCGEIJSA-N	384.439	4.505	50	40	GJGB	
COc1cc(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1O	4514983	URCFRILHMUTKHW-YHYXMXQVSA-N	397.645	4.907	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	5370344	NCIMQDZINKUIQP-DJKKODMXSA-N	386.076	4.910	50	40	GJGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1	12564017	OVLQWCGTXYHFGU-VULFUBBASA-N	385.389	4.811	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CC#N)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408852558	UCLLKWHUOUHGOS-AUEPDCJTSA-N	390.270	4.553	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)cc1Cl	409349686	UMDADBYMRCKHFP-BHGWPJFGSA-N	385.826	4.610	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3OC)n2)cc1	5258730	SSGBOWUZNZLJMR-MHWRWJLKSA-N	378.453	4.900	50	40	GJGB	
N#C/C(=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cccc2ccccc12	6496565	AENAFBXDTIIZKJ-SFQUDFHCSA-N	376.437	4.897	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccccc1	9190163	ATTNJFWVWYLHND-MFKUBSTISA-N	392.430	4.567	50	40	GJGB	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	31829613	UMYXSRXCHOIMLD-SXGWCWSVSA-N	375.453	4.669	50	40	GJGB	
O=C(CCl)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1	59489715	CVDFMSSYDHKEOJ-UHFFFAOYSA-N	394.880	4.588	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1OCc1ccc(F)cc1	408852613	UVQKTKWPNWFFFM-AFUMVMLFSA-N	376.431	4.785	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC#N	408984640	SHNALQJPWNWGAX-PDGQHHTCSA-N	391.858	4.825	50	40	GJGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)NCCCc1ccccc1	409243715	ZSIPCQQWPJIKSI-MNDPQUGUSA-N	389.886	4.787	50	40	GJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12	3092513	CQPFYNONMOVBEA-JVWAILMASA-N	397.478	4.954	50	40	GJGB	
CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=N/NC(=O)OC	4545187	OAHWBWQUNIYPHR-CSUZIONRSA-N	384.476	4.738	50	40	GJGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1	5390897	YGWLABJHKQXLDR-JLHYYAGUSA-N	386.782	4.610	50	40	GJGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccccc1Cl	100089891	NTVMHQCDPFJJPA-LSHDLFTRSA-N	398.677	4.781	50	40	GJGB	
CCN1c2ccc(/C=N\NC(=O)Nc3ccccc3OC)cc2C(C)=CC1(C)C	208515501	XLCZXGJDHLEXSA-IWIPYMOSSA-N	392.503	4.873	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	408728531	OGCBJNVVJCVINH-XPAGJJBOSA-N	398.271	4.533	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@@H](C)CC)cc3)cc2c1	409185015	PMKGQJUDJRCCIE-DZIKBWIISA-N	380.444	4.773	50	40	GJGB	
O=C(NCCc1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl	4277497	QIZNMCPJGDCXNH-IRXDYDNUSA-N	382.718	4.759	50	40	GJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)cc(Cl)c1O	4699153	JBQVYZVNUITZAO-KPSZGOFPSA-N	378.042	4.770	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl	4739653	YBAKSEFLACFWPK-SSDVNMTOSA-N	387.222	4.516	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2[nH]1	5588805	HUSXDHQJVWFCAD-AQTBWJFISA-N	388.434	4.875	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccc(Cl)cc1	59333859	RAUDMANLEVHLMB-ATVHPVEESA-N	377.875	4.647	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OC	107718200	GWVIRRSOPNHJPK-PXNMLYILSA-N	383.245	4.792	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)c(C)s1	8680706	NVKHVNLAXSFFOV-OAHLLOKOSA-N	382.876	4.627	50	40	GJGB	aggregator
CCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(C)cc1	40069333	GSQLLYZLCIVVSP-UHFFFAOYSA-N	388.393	4.519	50	40	GJGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	192562807	MVHFLPOBJKYXBQ-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=N\NC(=O)c3ccc(C)cc3)c2c1	408775391	GKHPDQXQWHOGML-MYYYXRDXSA-N	383.451	4.916	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OC(C)C)c1	408803436	OWLJIUGVWHIWED-MHWRWJLKSA-N	384.863	4.990	50	40	GJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2O)cc1	408843971	BIFZJRDNNJLJPY-ONUIUJJFSA-N	395.462	4.922	50	40	GJGB	
CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)cc1	20247904	QBROWCIOUHXCHP-KGENOOAVSA-N	376.909	4.512	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccc4ccccc34)o2)c1	408566425	GIAVEGXJVHRMDG-MYYYXRDXSA-N	398.418	4.650	50	40	GJGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	409234574	LQQYEPHMOCFUAD-OVBDPADQSA-N	399.494	4.887	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	2278596	PBABYNRGQWWYLM-GHRIWEEISA-N	379.416	4.709	50	40	GJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C)c1	3658989	BOBICFPEUKGQHK-WSDLNYQXSA-N	379.287	4.783	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC	5574123	NGOPDSLIZBKPQA-UKTHLTGXSA-N	390.411	4.564	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)cc1Cl	408533926	UBEHUGFBZLADHI-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
Cc1ccc(F)cc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	2197728	YBAGSBAAEMKYDR-ZROIWOOFSA-N	379.416	4.963	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	4922437	YRSBIRNGGXTFQL-GOSISDBHSA-N	395.915	4.868	50	40	GJGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccccc1Cl	20238020	TWVBXRVKMZPLAW-INIZCTEOSA-N	387.936	4.688	50	40	GJGB	
COc1ccc(/C=N\NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1	32216625	XVVDTJYSDMWELV-UFVRDYMVSA-N	398.506	4.768	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(F)cc1	2434085	GEWCKUQABMKFJR-KRWDZBQOSA-N	399.878	4.699	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1C	4923129	GBEMNJCWEVPXIX-LJQANCHMSA-N	375.497	4.523	50	40	GJGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(Br)cc3)ccc2c1	5416155	LEGGDCNEFIWSEQ-LPYMAVHISA-N	397.272	4.765	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccc(C)cc1	9014886	NIDAZHZDSULWQW-WSDLNYQXSA-N	387.270	4.846	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(O)c1	16678420	SUIGFHUTXGKGMP-MOSHPQCFSA-N	385.467	4.937	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	409075017	WQYAEVXEFPHBAM-MFKUBSTISA-N	392.886	4.920	50	40	GJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(Br)cc1	409142350	KZKCGDQRJKMUFM-ZXOFLVKFSA-N	391.334	4.779	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	409144887	QJQPENXLFHETGF-BUVRLJJBSA-N	379.891	4.830	50	40	GJGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1	409234576	LQQYEPHMOCFUAD-SDLXJUDFSA-N	399.494	4.887	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	3075079	JETFCLIWKYFVCQ-ZVHZXABRSA-N	382.504	4.760	50	40	GJGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(C)cc1	59224870	OSSDBKVQUQLUSW-MOSHPQCFSA-N	390.483	4.548	50	40	GJGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@H]12	222078007	CIARANHFRXRNDF-FUHIMQAGSA-N	399.281	4.639	50	40	GJGB	
COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccccc1	408718742	DTOQMIFLSZMYQL-LTPCWFMTSA-N	392.499	4.551	50	40	GJGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1cccc(Cl)c1	408963353	NJZKUVUFONQJGE-SDQBBNPISA-N	381.600	4.714	50	40	GJGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)Cc3ccc(F)cc3)c3ccccc32)cc1	409244840	JJDDNZFGLXKDLB-DICXZTSXSA-N	399.469	4.830	50	40	GJGB	
O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl	2556762	JQMAWYRGSOSWNJ-UHFFFAOYSA-N	387.060	4.558	50	40	GJGB	in-vitro
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F	3067591	MTDYHFUUGIYTOK-NRFANRHFSA-N	396.421	4.928	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)[nH]n1	4870770	RKNKCIDPYIRXFH-IFRROFPPSA-N	397.649	4.702	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1ccccc1	5720863	CRDSOPLESTXBHK-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CC(C)(C)OC(=O)N[C@@H](CCBr)c1ccc(Br)cc1	35633064	UAPISCZVBFRXLT-LBPRGKRZSA-N	393.119	4.800	50	40	GJGB	
FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)F	103528772	PJKTYOKWUHDABA-UWTATZPHSA-N	391.974	4.575	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(OC)c3)cc2C(C)=CC1(C)C	208512475	SYLFNSTVIJOMDV-MFKUBSTISA-N	391.515	4.789	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(OC)c1	408745689	OGQPLALYPUJQSF-VBKFSLOCSA-N	383.879	4.740	50	40	GJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408798496	IVPRQCOIBPXPEU-RIYZIHGNSA-N	385.807	4.581	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OC	409070721	LWVOBSVGQRESPB-CPNJWEJPSA-N	376.456	4.677	50	40	GJGB	
O=C(c1ccc(-c2ccc(F)cc2F)o1)C(Br)Br	2150699	BUPUUYVDXBFMOZ-UHFFFAOYSA-N	379.982	4.523	50	40	GJGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	33344443	FLIRRGQRNWEOGK-XYGWBWBKSA-N	386.499	4.722	50	40	GJGB	
CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	409020277	NKTOHUAQWBJVPN-WSDLNYQXSA-N	397.272	4.651	50	40	GJGB	
N#CCn1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21	7040086	CNZLTCVLNNHQTP-WGARJPEWSA-N	392.418	4.828	50	40	GJGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20133511	DVKIHJKBCKWTCZ-OAHLLOKOSA-N	396.354	4.645	50	40	GJGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c1C	20243823	OBGMONQHHCIKTE-SRZZPIQSSA-N	390.325	4.661	50	40	GJGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(OCCC)c1	33402621	VEVONRXQFGMWSL-LGMDPLHJSA-N	382.435	4.949	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	59148849	CQGUNKBMFJTKFF-LSHDLFTRSA-N	389.238	4.625	50	40	GJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408802490	YHXPZOZLWSSCLI-YAJBTMAUSA-N	375.447	4.650	50	40	GJGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl	408964668	YKELUYBMVAWKFA-UWVJOHFNSA-N	394.239	4.880	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(F)cc2)o1	809468	KZOAFKIPLWTUQS-IBGZPJMESA-N	378.403	4.537	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)[C@@H](C)Cl)cc1	2275834	PWOVEWROYIBIPU-DYVFJYSZSA-N	377.893	4.590	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3)o2)cc1	4071052	SXNSBLNLCYDNGI-SAPNQHFASA-N	388.423	4.900	50	40	GJGB	
COc1cc(C)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1C(C)C	4524098	QKAAOLLTWOXPRX-BHGWPJFGSA-N	378.394	4.910	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccccn2)o1	5391083	GWHRHFIVHOPSKX-BUVRLJJBSA-N	387.464	4.672	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2C)o1	5815809	BMJFQNNKXKYOQP-BOPFTXTBSA-N	386.407	4.807	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	16412164	FQGHTNQQBLUCAF-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
CC(C)(C)c1ccc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)cc1	30855972	AOSAMIFZUZQUHE-LPGPRXSPSA-N	394.515	4.572	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(C(C)(C)C)c1C	107565993	GDTKKKBRTZPFNI-ZVHZXABRSA-N	377.488	4.786	50	40	GJGB	
N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1	408759029	WSEULTIMPJKZLV-NBVRZTHBSA-N	394.434	4.688	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccnc1	408785923	JWGJVUANIFGOKF-BOPFTXTBSA-N	376.847	4.688	50	40	GJGB	
ClCc1cccc(C2=NC3=S(O2)OC(c2cccc(CCl)c2)=N3)c1	4265333	GDAUQQRRLYOCPX-UHFFFAOYSA-N	379.268	4.604	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1O	4723465	DSZAXYRCNDEVAJ-CXUHLZMHSA-N	382.847	4.637	50	40	GJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(-c2cccc(Cl)c2)o1)OCO3	40545960	ICJJECOIEJHVHV-FQEVSTJZSA-N	392.798	4.547	50	40	GJGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1	664449	SRSOJFROEAQSQI-INIZCTEOSA-N	376.485	4.654	50	40	GJGB	
Cc1cc(C(=O)N/N=C/c2ccccc2Br)c(C)n1-c1ccccc1	7244679	PYOFMULVZUFSFN-LPYMAVHISA-N	396.288	4.621	50	40	GJGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	100933856	DJASCDUOEZIEFN-FMIVXFBMSA-N	384.367	4.973	50	40	GJGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	408956530	QWDVJQAZBZQNKH-YZSQISJMSA-N	381.479	4.773	50	40	GJGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	2801953	IWFRQKKGHQDCKJ-XNTDXEJSSA-N	377.787	4.947	50	40	GJGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)c1	4922959	DDOBQVDYUFOICD-QGZVFWFLSA-N	395.915	4.868	50	40	GJGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	6603103	UYRDIVWDIOVJQB-UYRXBGFRSA-N	399.406	4.676	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	58917067	INJDODTUFVETOO-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1	107626636	PEPZKAPWCLENGZ-UFWORHAWSA-N	394.239	4.880	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	215928570	NBVLMKCQNGXYQI-GHXNOFRVSA-N	377.227	4.556	50	40	GJGB	
COC(=O)Cn1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c2ccccc21	408780463	ZDGJVILDJBOVQY-DHDCSXOGSA-N	384.357	4.897	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C	4185850	AVERYTZIQJHZAZ-DOPJRALCSA-N	398.728	4.746	50	40	GJGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1	4520511	YDJSPVNQFJPENF-RGEXLXHISA-N	398.374	4.604	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(C)cc3OC)cc2[C@@H](C)CC1(C)C	223530198	BJASCSXYXNDTMA-STPJHCLOSA-N	393.531	4.880	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408864135	UAIUCBXNPXOQHC-MFKUBSTISA-N	391.858	4.746	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3097498	WNXPPVGSRAIJQY-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
O=C(N=C=S)c1ccc(-c2ccc(Br)cc2Br)o1	73638365	VDUXEMNUZWQNDQ-UHFFFAOYSA-N	387.052	4.715	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OC)c1	408796803	PZWRRMNDZXKWMM-CPNJWEJPSA-N	377.488	4.704	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)o1	4738515	LUNUWLBCQRFEFQ-QINSGFPZSA-N	383.407	4.982	50	40	GJGB	
O=C(NNC(=O)c1ccccc1C(F)(F)F)c1cc2c(s1)CCCCCC2	6993249	CNZHSVUPCDZVFV-UHFFFAOYSA-N	396.434	4.501	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	13586124	MIEFKIAIDURCBA-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1	20132960	ISRFUVDFTIPNTI-MRVPVSSYSA-N	379.682	4.981	50	40	GJGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59499268	IOKFBOVSOXUHQW-MRSJDWDVSA-N	390.508	4.897	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(O)cc1	83254284	PESCUULCUJOBJX-WGOQTCKBSA-N	381.435	4.761	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	408745209	QFQOOFHHDQTDCP-YBEGLDIGSA-N	382.847	4.768	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OCC	408746362	SCDLONSFMSFBGH-AQTBWJFISA-N	392.455	4.594	50	40	GJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	408952214	LLJDUCUSQAHGQI-PEZBUJJGSA-N	390.874	4.742	50	40	GJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	409045503	YUFSNDZDKVVAID-XMHGGMMESA-N	399.406	4.676	50	40	GJGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCc1ccco1	781379	FKAIGOATWVAXAM-LDADJPATSA-N	399.425	4.645	50	40	GJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	6217021	NGDBDPKGPBJMIS-WJDWOHSUSA-N	397.272	4.868	50	40	GJGB	
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)c3ccccc3)cc2)cc1	35078749	PVPDCKLQNIATJE-JCMHNJIXSA-N	397.430	4.842	50	40	GJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OC	409019128	YPOBGNHDBAYEKB-FMCGGJTJSA-N	398.846	4.596	50	40	GJGB	
Cc1cccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1	889148	GQYJNHBUEIXDGZ-CVKSISIWSA-N	397.478	4.527	50	40	GJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc(C)c1Cl	3033878	QPRZVCPJMNVRQK-ODCIPOBUSA-N	385.678	4.793	50	40	GJGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1	4922831	NUXFGJCNBGJLJL-IBGZPJMESA-N	393.487	4.608	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473636	BFZLJGKMOKLMDP-HZHRSRAPSA-N	376.481	4.751	50	40	GJGB	
C[C@H](Sc1ncc(-c2ccccc2)o1)C(=O)C(C#N)=C1Nc2ccccc2N1	102111593	PJHMAOCKSPUCKZ-ZDUSSCGKSA-N	388.452	4.664	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)NC1CCCC1	207157444	HGFQKJPOMQENMD-AQTBWJFISA-N	380.875	4.885	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(F)cc1	408808824	GENJXTSWXXJECA-TZCXJDQJSA-N	379.479	4.835	50	40	GJGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	3082735	YXTSRVAHDZAQDW-CVKSISIWSA-N	395.462	4.699	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1	408785446	FZNARQGGZSFKIP-HAVVHWLPSA-N	383.495	4.995	50	40	GJGB	
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1	408852412	KNEJEAQJIYFGAE-BKUYFWCQSA-N	397.276	4.704	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409051882	NYENVHOLSIUESH-SSDVNMTOSA-N	393.270	4.639	50	40	GJGB	
Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2	1071292	RBPLSPIPAVOMCQ-GIJQJNRQSA-N	387.395	4.795	50	40	GJGB	
Cc1ccc(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1C	1429040	IOIYHZYLLAYXLG-CVKSISIWSA-N	397.478	4.981	50	40	GJGB	
O=C(CCCc1ccccc1)N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl	2316191	VSEJGNUXBJWTQA-CKMDTHJYSA-N	375.299	4.627	50	40	GJGB	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1cccc(C(F)(F)F)c1	3332538	MPUWPDPBZQBUFI-XYOKQWHBSA-N	382.288	4.852	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2C1	4922729	VZCJKQMKZYVCKA-QGZVFWFLSA-N	393.487	4.608	50	40	GJGB	aggregator
C/C(=N\NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1nc2ccccc2s1	7282681	DZAZLNHQJNKQJZ-BGHCKBSUSA-N	389.480	4.757	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	14134849	VZHOLXHTRWZWRE-ZVHZXABRSA-N	378.859	4.991	50	40	GJGB	
Cc1c(O)c(C(=O)C(Cl)Cl)c(=O)n(-c2ccccc2)c1-c1ccccc1	2570605	JDVXJDBMTYJVHM-UHFFFAOYSA-N	388.250	4.505	50	40	GJGB	
COCc1cc(C)nc2sc3c(nc(CCl)n4c5ccccc5nc34)c12	4495000	GWPZJNSNFOJMIK-UHFFFAOYSA-N	382.876	4.839	50	40	GJGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59499270	IOKFBOVSOXUHQW-WCIBBKAISA-N	390.508	4.897	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	408566544	HPRXIDRTVWSVEV-NHDPSOOVSA-N	383.791	4.581	50	40	GJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)c1	408757410	ZPSAXZQVYFOISI-QINSGFPZSA-N	376.437	4.985	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)o1	408816581	UYJIACBMWGDCTI-FETDKSFYSA-N	393.443	4.765	50	40	GJGB	
CCCCCCCCC(=O)NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	3768024	SUQJFMQUAWCSAL-UHFFFAOYSA-N	376.482	4.912	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1cccc(Cl)c1	4211366	QOBMSEIBKALFQE-JLHYYAGUSA-N	392.798	4.844	50	40	GJGB	
CCOc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1C(C)C	408541694	HHVJUZJIDLQIOQ-ZDLGFXPLSA-N	392.455	4.761	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1	408862361	GZPAHPOLOMUWOB-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccc(F)cc1	1057896	JCPVHQJWKPLWLI-OAQYLSRUSA-N	387.458	4.767	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1OC	2670489	ZTNOWTDCGWDGHZ-NBVRZTHBSA-N	394.471	4.818	50	40	GJGB	
O=C(/C=C/c1cccc(OCc2ccccc2)c1)Oc1ccc([N+](=O)[O-])cc1	103590977	JQMUMIXVHBAJNZ-NTEUORMPSA-N	375.380	4.793	50	40	GJGB	
C/C(=N\NC(=O)c1oc2ccccc2c1C)c1nc2ccccc2n1C(F)F	104812426	YFZYYWOHXNBJMR-WYMPLXKRSA-N	382.370	4.640	50	40	GJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789369	PGXYZNIQHULKMI-XMHGGMMESA-N	399.406	4.719	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccnc1	408832438	YQVVBILIBGGUCR-CVKSISIWSA-N	381.435	4.578	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)Cc3cccc4ccccc34)c2c1	409013882	OCQRXMYNCGXUHX-WGOQTCKBSA-N	398.462	4.703	50	40	GJGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409044466	CNYUNLNNNZNMRV-MDWZMJQESA-N	389.213	4.690	50	40	GJGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1	409321751	HKDCICXIKZKHQM-MRXNPFEDSA-N	384.888	4.621	50	40	GJGB	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)n2)cc1	6916210	ZZKZXGQAPSCCMQ-BOPFTXTBSA-N	375.453	4.624	50	40	GJGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)NCCc1ccccc1	35305160	CDSVGYLLNORJAB-KQWNVCNZSA-N	382.463	4.531	50	40	GJGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc2ccccc12	100522878	MHPQDBLMFBWFGX-WPWMEQJKSA-N	399.494	4.853	50	40	GJGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OCC	107729123	YEEDEZWPIYGTLN-MOHJPFBDSA-N	382.504	4.737	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccccc3OC)cc2[C@H](C)CC1(C)C	208321034	KDFVUXDCANUMAV-SCELWYEFSA-N	393.531	4.880	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cl)cc1OC	408791701	BCSJDDNWSVVUBI-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c1O[C@H](C)C(=O)O	409244435	CQLIYAFKQATDOS-DYTQJMLRSA-N	391.345	4.630	50	40	GJGB	
CCOc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C(C)C	818632	LDHUWBKPXDWZDE-NRFANRHFSA-N	394.515	4.968	50	40	GJGB	
COC(=O)c1cccc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)c1	4452833	OHPYHMRVUXCRBR-SFQUDFHCSA-N	383.407	4.982	50	40	GJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OC(C)C	33334258	NDYMEXMRLNCRIY-JJFYIABZSA-N	386.835	4.646	50	40	GJGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12	408951569	LWPYSODIYKNMIQ-DHDCSXOGSA-N	384.266	4.741	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccn1	409244049	WUJQRLXBYADHCU-FOKLQQMPSA-N	387.270	4.560	50	40	GJGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1	1095567	QRHJPJHYZGNTLF-MOSHPQCFSA-N	395.462	4.814	50	40	GJGB	
Cc1cccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc12	1223573	XVOUGCLIXXSAAL-QGZVFWFLSA-N	393.874	4.648	50	40	GJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Br)c1	59473655	YRIWHYIOZRABQE-VSMYLPJWSA-N	397.725	4.733	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)o1	408807170	GLLANRUGXZIWMK-KKPKNMQYSA-N	393.443	4.765	50	40	GJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1	408954750	SKQSKTNOXQSOHF-HKWRFOASSA-N	394.478	4.533	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409052254	GWLAWWUDEKBVJY-SSDVNMTOSA-N	393.270	4.639	50	40	GJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1C(F)(F)F	3082040	XOMSVVZWBPMHRY-LSFURLLWSA-N	386.826	4.742	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Cl)c1	4827456	OJGIUIMTLDVUCC-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	5490700	BQCNOQKFQYBUAM-FQEVSTJZSA-N	384.483	4.802	50	40	GJGB	
O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc(/N=N/c2ccccc2)cc1	16989813	BOKGTAQIYGBUDX-QURGRASLSA-N	377.364	4.554	50	40	GJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2[C@H](C)CC1(C)C	208304926	IDOMCCLNJSAKFR-DTVDJLOLSA-N	379.504	4.571	50	40	GJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(N)=O)c1ccc(Cl)cc1Cl	408578644	AEIOZQCEHWPABB-VZUCSPMQSA-N	381.646	4.575	50	40	GJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408802489	YHXPZOZLWSSCLI-IQFISFIMSA-N	375.447	4.650	50	40	GJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	408803288	NHJHUBAZHGVTIY-XSFVSMFZSA-N	385.467	4.957	50	40	GJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2ccccc2)cc1	409075331	QXBKVAXFEWZEDX-HMMYKYKNSA-N	375.449	4.827	50	40	GJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccccc1	836097	SYCVVGUTFUBQMP-OAQYLSRUSA-N	390.446	4.757	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	1429142	DKTNWVDIMVZDPI-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1ccc(Cl)cc1	3195345	LNCYBISXTCIXHN-ZMOGYAJESA-N	382.822	4.822	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1F	7156522	BLSBWHOAKNYFGP-SDNWHVSQSA-N	377.331	4.540	50	40	GJGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)N3CCCC3)c3ccccc32)cc1	13424368	UQNQRMMXDKJFGX-CAPFRKAQSA-N	399.494	4.558	50	40	GJGB	
O=C(CN(/N=C/c1ccccc1)C(=O)c1ccccc1Cl)c1ccccc1	20095851	QCCZZCKWPOKWRI-BUVRLJJBSA-N	376.843	4.699	50	40	GJGB	
O=C(/C=C/c1c(Cl)nc2sccn12)NN(c1ccccc1)c1ccccc1	58390665	AHKUYDAIEFCZGE-VAWYXSNFSA-N	394.887	4.932	50	40	GJGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C	208227024	CQSHBHKKYJOOSZ-DNPFKWNUSA-N	394.519	4.881	50	40	GJGB	
CC(C)c1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C(C)C)c1O	408851793	OBVKIYVTDOSGHL-FOKLQQMPSA-N	388.895	4.822	50	40	GJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCC4)c(C)c3)cc2c1	409186811	IEDJXGBFGSDWFG-IWIPYMOSSA-N	391.471	4.504	50	40	GJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	1433987	CMEZEJQLRHQIIP-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3C)C3=C2CCCC3=O)cc1	6715267	AEBHWUSFGOFVHM-HSZRJFAPSA-N	383.495	4.917	50	40	GJGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1	408850349	LXCOBKQRDATDFC-XKZIYDEJSA-N	376.287	4.748	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1CC	408877070	PJKZBPARGJJCKQ-CAPFRKAQSA-N	380.447	4.960	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(C)C	408983304	AQKFWXUGFSJQHG-XDHOZWIPSA-N	378.472	4.974	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	409365485	QWVFRCCETGHYBW-WGOQTCKBSA-N	381.479	4.691	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1	939426	LHWDKSFDXPMOBQ-NTEUORMPSA-N	383.860	4.834	50	40	GJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O	4018563	KBNHMPAHXKYDEX-NSXTUZQOSA-N	388.427	4.645	50	40	GJGB	
Cc1cc(SCC(=O)N/N=C/c2c(F)cccc2Cl)c2ccccc2n1	4091513	VTTYVRWONBHARS-LSHDLFTRSA-N	387.867	4.578	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(C)C	6209413	CLDKSSIASQMABY-GZTJUZNOSA-N	382.435	4.805	50	40	GJGB	
CCOC(=O)c1sc(NC(=O)Cc2ccc(C)c(C)c2)c(SC#N)c1C	10702716	BTFFANPMGQIXAE-UHFFFAOYSA-N	388.514	4.604	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)c1ccc(Cl)cc1Cl	33795660	QIEUFAKTNZGZIY-VZUCSPMQSA-N	381.646	4.575	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1	59501505	JVYWQIFTBVSGHS-VULFUBBASA-N	399.494	4.596	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(O)cc1	409248200	GTOONTXHJQPCKF-RHTHQAGFSA-N	385.467	4.584	50	40	GJGB	
CC1=C(C#N)[C@H](c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O	988633	VOGKFBWYUAVSCC-KRWDZBQOSA-N	377.241	4.541	50	40	GJGB	
O=C(O)c1cccc2c1-c1ccccc1[C@H](Br)[C@H]2Br	1702443	OCDOZJQXUMMRBQ-KBPBESRZSA-N	382.051	4.937	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccs4)CC(=O)N3C2)cc1	2326570	GECNFQSCKZVWLR-INIZCTEOSA-N	381.526	4.530	50	40	GJGB	aggregator
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2C[C@H](c3ccccc3)CC=C12	4115198	MCKRCQNHIRZESC-HGHGUNKESA-N	382.492	4.735	50	40	GJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1	4922512	NPRPBJBGZVYYMT-SFHVURJKSA-N	375.497	4.523	50	40	GJGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	13648125	JZEQDCPTXWJVDB-SXGWCWSVSA-N	391.408	4.708	50	40	GJGB	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	59102288	DQQKUHHNOHXVNJ-HXUWFJFHSA-N	375.859	4.645	50	40	GJGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl	408793018	CTFYQBILTLPGEA-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	409070301	NUFHNZZVDORIDG-HMMYKYKNSA-N	388.467	4.924	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1	409162091	RMBAZUUTRXOCNQ-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1	939428	ODOWPLKYPQDWAU-UKTHLTGXSA-N	385.901	4.994	50	40	GJGB	
CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccc3ccccc3c2)cc1	2098725	HSSJQLSPVOYDHB-ZHNJOBQTSA-N	375.472	4.579	50	40	GJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	4613958	MSGWTUOIBIWSKP-BUVRLJJBSA-N	399.406	4.701	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1O	6958395	ZIWLRTQOLQJLLN-QPEQYQDCSA-N	389.205	4.526	50	40	GJGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CSc2ccccc2)cc1	59473012	NJZKFTFXCUDAST-HYARGMPZSA-N	391.452	4.651	50	40	GJGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	100839983	VTLAIVWWWPDKIA-PTNGSMBKSA-N	378.432	4.884	50	40	GJGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(CN2CCOCC2)cc1	408777585	COQREEOSKXFUQG-UHFFFAOYSA-N	399.579	4.909	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1	408792232	JULQAMRZBNNJTF-QGOAFFKASA-N	386.407	4.753	50	40	GJGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C)c1	408960508	GCINFLIZSXJGFJ-FMCGGJTJSA-N	391.427	4.726	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl	409053701	OMSATJGBPNVWBS-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
COc1cccc(CC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)cc2)c1	409255603	ZEMNNOQVKQDURI-JLPGSUDCSA-N	390.508	4.848	50	40	GJGB	
Cc1cc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2cc1C	876532	QQWLGLLSYRCEJA-JOCHJYFZSA-N	393.446	4.516	50	40	GJGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	4106762	BOSYGMHACCOWMU-WSDLNYQXSA-N	376.287	4.666	50	40	GJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1ccccc1	5515530	DWNJATRJOBRFNH-UDWIEESQSA-N	379.466	4.804	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCCC2)o1	6381175	UZGVZRNXXUHGIO-LFVJCYFKSA-N	391.471	4.586	50	40	GJGB	
O=C(N/N=C(\CCCCl)c1ccc(F)cc1)c1c(O)ccc2ccccc12	17078622	GPRFDHSURJWFIS-HKOYGPOVSA-N	384.838	4.838	50	40	GJGB	
Cc1cc(C)nc(SCc2csc(/C(C#N)=C\c3ccc(O)c(C)c3)n2)n1	26511939	ZPTNSVRNACATKU-PXNMLYILSA-N	394.525	4.920	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	408746981	XPBFXBJTVZTZIY-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
c1ccc2oc(NCCSSCCNc3nc4ccccc4o3)nc2c1	1561347	SUODIDLQVQGSFR-UHFFFAOYSA-N	386.502	4.874	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3089695	TWHUQONFVAFFHM-PCLIKHOPSA-N	380.451	4.612	50	40	GJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cccs3)cc2)cc1	5517177	FCERUGWEVWLTNK-XQNSMLJCSA-N	394.496	4.880	50	40	GJGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl	5943742	KNZGPDDPLZNEPU-UHFFFAOYSA-N	384.572	4.818	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCCC(C)C	6881508	VGFLKHXFBCBPHT-QGOAFFKASA-N	380.492	4.502	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1	8116744	OHNAFDJVUFBBEC-WYMPLXKRSA-N	388.345	4.738	50	40	GJGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	409050020	SADXGLROTAAVKN-OQLLNIDSSA-N	385.250	4.860	50	40	GJGB	
O=C(NN=C1c2ccccc2CCc2ccccc21)c1cc2ccccc2cc1O	3255285	BTSUPLDMEGRWAA-UHFFFAOYSA-N	392.458	4.826	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1C	4922646	VVCPGYRRJMXZMQ-LJQANCHMSA-N	393.487	4.662	50	40	GJGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20132801	IBZWTSYHSXAUPL-ZDUSSCGKSA-N	396.354	4.789	50	40	GJGB	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ncc(C(C)(C)C)o2)c1C	96035008	QKYCZDYSQNSZAC-WOJGMQOQSA-N	383.492	4.841	50	40	GJGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	100217740	RQLBPGJSXYROEA-LGMDPLHJSA-N	375.453	4.963	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(OC)c1	113833851	RECWVEFFLWSVJJ-MOSHPQCFSA-N	387.435	4.897	50	40	GJGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408794506	IRXDQWDYBPQZHL-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2nc(Cl)ncc2F)c1)C(=O)Nc1ccccc1	409064421	PKTFVXKWUODGEZ-NTEUORMPSA-N	394.793	4.607	50	40	GJGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	4310048	JZEQDCPTXWJVDB-CXUHLZMHSA-N	391.408	4.708	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC	32120412	CRDBEOOJUBSISM-CHHVJCJISA-N	392.436	4.620	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(F)cc1	408808822	GENJXTSWXXJECA-STSOMYGVSA-N	379.479	4.835	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1F	408818187	PEFOXGNBWAFNIG-MOSHPQCFSA-N	397.409	4.822	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCC(C)C	409055208	XLEFQDWBRYBONF-FSJBWODESA-N	388.895	4.846	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1	58927252	IDXQVLJDWAGDDI-IERINAHZSA-N	391.540	4.866	50	40	GJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1	408961303	MKOSMZDVNFJAMQ-PTNGSMBKSA-N	390.370	4.638	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c1O[C@H](C)C(=O)O	409240504	QDUQWSKABYPSSF-CDCQXCROSA-N	391.345	4.630	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	409361435	HGCVHAIIKFMSFF-JVWAILMASA-N	395.506	4.999	50	40	GJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	409369752	GBOMIHFBNZZIKK-PTNGSMBKSA-N	377.831	4.690	50	40	GJGB	
O=C(O)c1ccccc1[C@H](Br)[C@H](Br)c1ccccc1	1727338	NWIXCCOPMLPXJA-KGLIPLIRSA-N	384.067	4.957	50	40	GJGB	
CCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1	1772618	MSMSHPDBBVIGSO-XSFVSMFZSA-N	376.456	4.922	50	40	GJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccs4)CC(=O)N3C2)cc1C	4412429	CPYYABBMKADIBH-MRXNPFEDSA-N	381.526	4.584	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1	6528394	HBMGLDMSWZHZBX-UFWORHAWSA-N	394.239	4.880	50	40	GJGB	
COc1cc2c(cc1OC)[C@](CBr)(c1ccc(Cl)cc1)OCC2	12419703	UHSYWYJAXALOGX-SFHVURJKSA-N	397.696	4.568	50	40	GJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1	20348333	DVPPQNZMJNSKRP-GOSISDBHSA-N	395.915	4.555	50	40	GJGB	
CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2c1=O	96113845	AAKCQMSDLBVMGJ-OAHLLOKOSA-N	391.562	4.630	50	40	GJGB	biogenic
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408879398	GAENOYZRIPWHIP-RVDMUPIBSA-N	399.834	4.973	50	40	GJGB	
Cc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1	4712088	ISNUNJIVENPSAJ-ONUIUJJFSA-N	381.479	4.940	50	40	GJGB	
N#CC1=C(N)Sc2oc(-c3ccccc3)cc(=O)c2[C@H]1c1ccccc1Cl	5491488	XDTJTVIOBVDQFB-SFHVURJKSA-N	392.867	4.892	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1O	32120375	IAHXTFBRGZZZMD-CHHVJCJISA-N	392.436	4.707	50	40	GJGB	
C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(OC(F)F)cc1	33045833	SPMSHPIJBFKOIL-FUTSBXMXSA-N	378.444	4.628	50	40	GJGB	
N#C/C(=C/c1ccc(-n2cncn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1	96993411	PUGOWBZMPFUYQB-QPEQYQDCSA-N	397.385	4.960	50	40	GJGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	102459230	KJTHDYVSJRVUSM-XFXZXTDPSA-N	384.367	4.973	50	40	GJGB	
Cc1ccc(COc2ccc([C@@H]3NC(=O)NC(C(C)(C)C)=C3C#N)cc2)cc1	409368113	RUTIWNROGJOEJA-FQEVSTJZSA-N	375.472	4.752	50	40	GJGB	
Cc1ccccc1N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1CC(C)(C)CC2=O	1063234	QBBZMGINZAZBFE-FQEVSTJZSA-N	389.524	4.997	50	40	GJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c2)cc1	107790698	VSBLDHWJQRPJQB-WGOQTCKBSA-N	386.495	4.884	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@H]([C@@H]2C=CCCC2)C(C#N)=C(N)O3)cc1	663785	LHFVVKPCXNHLOM-RDTXWAMCSA-N	378.501	4.537	50	40	GJGB	
N#C/C(=C\OCC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1	67197423	SHSMYYCHWUBRFH-JLHYYAGUSA-N	380.753	4.879	50	40	GJGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Cl)c1	409009380	DZVHMKRVHHSCTC-OYKKKHCWSA-N	396.874	4.811	50	40	GJGB	
COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1O[C@@H](C)C(=O)O	409234071	YOUXPRPGXDVMHY-LFTLCWSBSA-N	392.238	4.918	50	40	GJGB	
CC(C)OP(=O)(OC(C)C)C(=O)NNc1ccc(Br)cc1	2257427	POUNYFNPHYHKKO-UHFFFAOYSA-N	379.191	4.529	50	40	GJGB	
O=P(CC[P@](=O)(O)CCc1ccccc1)(c1ccccc1)c1ccccc1	2310073	QYBMMQTUKREXCX-UHFFFAOYSA-N	398.379	4.514	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)o1	2352580	JVWSUFKLGKZHNY-GXDHUFHOSA-N	398.484	4.639	50	40	GJGB	
Cc1c(/C=N/NC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1C#N	4083695	QVNZWVAAUKHMAT-AFUMVMLFSA-N	398.491	4.695	50	40	GJGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1	6302758	SPPNSKNIGPSFAW-JJIBRWJFSA-N	380.488	4.662	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	32109303	WKTHBAJQCDTJJN-MXAYSNPKSA-N	385.389	4.877	50	40	GJGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N(C)C)cc4)nc(O)c23)C1	96669416	QVZZOHTVSPRCCO-WZMONFQBSA-N	390.512	4.652	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1Cl	3343192	SLPVFGDGGOUYNZ-FOWTUZBSSA-N	376.847	4.688	50	40	GJGB	
Cc1ccc(SCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	4511604	QBOGDALTVXDUBP-JJIBRWJFSA-N	390.508	4.930	50	40	GJGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1cc(Cl)ccc1Cl	6240556	MUVCUXLRFVNAAB-XCVCLJGOSA-N	395.629	4.921	50	40	GJGB	
CCOc1ccc(/C(Cl)=C(/C=O)c2ccc(OC)c(OC)c2)cc1OCC	17217300	CDZCOLUKLVIYQS-LTGZKZEYSA-N	390.863	4.807	50	40	GJGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)o1)C(C#N)=C(N)O2	18284802	NIRYZDSXUBEKQD-INIZCTEOSA-N	387.226	4.503	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)c1ccccc1	28216639	OSTUIIWJWAWPFW-XTVKVDEJSA-N	389.499	4.549	50	40	GJGB	
C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(OC(F)F)cc1	33045835	SPMSHPIJBFKOIL-HMPFENIPSA-N	378.444	4.628	50	40	GJGB	
C/C(=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1F	38198318	LMCKPMKNYFSBEB-ONUIUJJFSA-N	398.441	4.832	50	40	GJGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	50647953	MILVXUFGVSMBSE-MTJSOVHGSA-N	391.456	4.771	50	40	GJGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1	1095504	KNCFPHQKFOFNKY-SDNWHVSQSA-N	393.240	4.854	50	40	GJGB	
CCOc1cccc2cc(-c3csc(/C(C#N)=C\c4ccco4)n3)c(=O)oc12	6488596	ICWPPAWZPSLCMI-ZROIWOOFSA-N	390.420	4.972	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1	8534192	GVBHRXZGOOHQAG-XOAFGZPJSA-N	387.395	4.639	50	40	GJGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	16194719	BSWJELMODVZUEN-XGICHPGQSA-N	379.199	4.983	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccncc1	32116929	UIKGUTQLRCVPTC-VROXFSQNSA-N	393.752	4.778	50	40	GJGB	
COC1=NP(c2ccccc2)(c2ccccc2)=NC(c2ccccc2)=C1C#N	100720839	DMQVXVDZBJNQCE-UHFFFAOYSA-N	383.391	4.747	50	40	GJGB	
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21	108034343	GMZVYDJJNNSXNH-ZCQLHAAUSA-N	387.439	4.856	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC1CCCCC1	662564	DXRAONCKWRQNAB-SILNSSARSA-N	396.494	4.895	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Br)c1	6218203	WIBPDMHHWDDFJL-SDQBBNPISA-N	391.652	4.662	50	40	GJGB	
COc1ccc(-c2coc3c(C)c(OCCBr)ccc3c2=O)cc1	6760581	CMIHAMCQUSASJE-UHFFFAOYSA-N	389.245	4.551	50	40	GJGB	biogenic
O=C(NN=C1CCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240627	YWIPTRZKLKAUEN-UHFFFAOYSA-N	389.543	4.801	50	40	GJGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)O	408581457	XABRNRYATXSECI-NTUHNPAUSA-N	392.238	4.920	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(C#N)cc1	409240848	QFAGRNPSWLAXNR-NLKUQUHMSA-N	394.478	4.750	50	40	GJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1	985643	PNOXDTLANJNWPC-OAHLLOKOSA-N	397.265	4.910	50	40	GJGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc2ccccc2c1O	4866767	DGABAAQWGOHMJP-KOEQRZSOSA-N	390.483	4.896	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(C)c1	6008918	IHPDXVWZRBCFJV-LDADJPATSA-N	386.407	4.807	50	40	GJGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1	17138019	IPYSBQOAJGSGLV-VIZOYTHASA-N	392.436	4.620	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1	102819626	GXNNWHFXHXKIJQ-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2	408793799	GOHFWXWOFJDVCA-UUILKARUSA-N	375.211	4.576	50	40	GJGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC1CCCCC1	662562	DXRAONCKWRQNAB-CAPFRKAQSA-N	396.494	4.895	50	40	GJGB	
CCn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C(C)C)c43)ccc21	4450399	LLLYXAZNQJHKQH-FQEVSTJZSA-N	397.482	4.879	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	18173384	WUHOQACFNOIDIG-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cl)cc1OC	408794816	KAOUBEMKNSZMKM-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2OC)c1C	408961606	SXIJPGHSHXZIJF-MFKUBSTISA-N	389.499	4.737	50	40	GJGB	
O=C(c1cc(C(F)(F)F)ccc1Cl)[C@H](Br)CBr	575360946	UOICLRNJCKMWJP-SSDOTTSWSA-N	394.412	4.700	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1F	1023484	YOJWGOADKSERKT-SRZZPIQSSA-N	387.208	4.612	50	40	GJGB	
O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1F	1307489	MFTVDBJLSXMKOI-UHFFFAOYSA-N	392.821	4.846	50	40	GJGB	
N#CC(C#N)=Cc1ccc(-c2cc(Br)ccc2Br)o1	1407120	YRJOVCMHZORGGO-UHFFFAOYSA-N	378.023	4.902	50	40	GJGB	
N#CC(C#N)=C(O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1	17142241	KETVZXVGPMSBDX-IUXPMGMMSA-N	384.222	4.624	50	40	GJGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc2cc(Cl)ccc2c(=O)[nH]1	25583043	QVGQFHKKUHCJKW-YRNVUSSQSA-N	375.737	4.659	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1O	26675970	HQZKAVQWRXQLIV-YBEGLDIGSA-N	378.453	4.987	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1ccccc1	28356334	INHKAKKMYUPSCD-XSFVSMFZSA-N	384.435	4.820	50	40	GJGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	408864820	ZYUSGXGAGXUCCK-WSDLNYQXSA-N	393.270	4.721	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1	409220053	TWIGTFGAVFQLDH-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
Cc1cc(NC(=O)N/N=C/c2cccn2-c2ccccc2)ccc1Br	4677126	CYBIPSXIOPAIFB-FYJGNVAPSA-N	397.276	4.704	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2c(F)cccc2Cl)c1	6326265	YLCDSWJVRNKVBB-ZROIWOOFSA-N	389.810	4.537	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(N(C)C)cc2)c(C)c1	408955671	YIEVVHGDYMCPNV-CYVLTUHYSA-N	384.483	4.706	50	40	GJGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)s2)cc1	954295	LHDBQHQKNFSQDL-LICLKQGHSA-N	377.444	4.727	50	40	GJGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccccc1C(F)(F)F	3224380	HDLMEIMSVAIQOE-VULFUBBASA-N	398.384	4.902	50	40	GJGB	
CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccs2)/C(=C/c2cccs2)C1	20468907	ZEJBNUDWAVNNER-JNMQVBFRSA-N	395.553	4.679	50	40	GJGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c2ccccc2cc2ccccc12	33375413	ZEYCFEFOJNRJCQ-IWIPYMOSSA-N	383.407	4.594	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1O	59335672	MUJAKSIJYDPHCV-YBEGLDIGSA-N	397.272	4.737	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409235085	AGEUAVAYELIMPP-IGCAKMCNSA-N	392.499	4.528	50	40	GJGB	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Cl	3175128	GQIDFVUUOUEDQL-WTJYETQFSA-N	378.859	4.925	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1Br	4893933	WXKPSHXFUCDPCM-DHDCSXOGSA-N	385.261	4.620	50	40	GJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(Cl)c1	59249819	HRWAKKIJYSLQEU-LCYFTJDESA-N	393.668	4.596	50	40	GJGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(C(C)C)c3ccccc23)cc1	408711627	CAAJSRNUGZSBSD-BUVRLJJBSA-N	377.488	4.622	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	409255055	KGBCEQFJJZJKIS-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
Cc1ccc(C(=O)OCC2=C(OC(=O)c3ccc(C)cc3)C[C@@H](Cl)O2)cc1	1560406065	IRHFZDFPRWPRPA-IBGZPJMESA-N	386.831	4.514	50	40	GJGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CCC3)cc1	1436384	WAYJTFBYEUVRNW-HSZRJFAPSA-N	399.494	4.562	50	40	GJGB	
O=C(NCCc1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1	1736833	ORDJRFSFKVCPEV-UHFFFAOYSA-N	399.749	4.597	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)cc1	4710541	PLJVILOBRIGJCL-WJDWOHSUSA-N	398.304	4.623	50	40	GJGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(C(C)(C)C)c1O	27019948	YUBWHCZEVOFVEE-MHWRWJLKSA-N	380.488	4.804	50	40	GJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	408880786	KWCLAVRGPOHHCX-HMMYKYKNSA-N	382.419	4.760	50	40	GJGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	6344447	HNGBUOCOMOGRCW-UYRXBGFRSA-N	399.406	4.676	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC	7351599	ZZPRZJMPEBKKTC-NTEUORMPSA-N	388.826	4.822	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	59334106	HUZDNBHKUFWJCB-NSIKDUERSA-N	393.245	4.707	50	40	GJGB	
N#C/C(C(=O)CSc1ccc(C(F)(F)F)cn1)=C1\Nc2ccccc2S1	104517650	ZUAFQZWYDNZGIZ-WJDWOHSUSA-N	393.415	4.715	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408795552	MQBYJOWCTNLENG-XNTDXEJSSA-N	398.846	4.555	50	40	GJGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3ccccc3Cl)CC2)cc1	2578591	WJBPYZSTXZXYAW-JJFYIABZSA-N	388.902	4.785	50	40	GJGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1	6276536	JXUYIPRVFPPJCJ-YVNNLAQVSA-N	392.865	4.616	50	40	GJGB	
C/C(Cc1ccccc1)=N\NC(=O)CCCOc1ccc(Cl)cc1Cl	16701360	JOBGRAACPHVMMR-HYARGMPZSA-N	379.287	4.887	50	40	GJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(Cl)c1	408741554	QPQFNEYCLXPNFX-ZVHZXABRSA-N	394.906	4.577	50	40	GJGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408889323	CLAXNNTZHPNIIF-XDJHFCHBSA-N	392.455	4.588	50	40	GJGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(Cl)cc1	408964909	TXDDORDELJIANM-GHXNOFRVSA-N	381.600	4.714	50	40	GJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cccc4ccccc34)c2c1	409013228	MMUDASWTEOLYDI-MFKUBSTISA-N	384.435	4.774	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)N1CCCC1	409370407	QJBRWPVMIKUQNZ-PXLXIMEGSA-N	382.463	4.948	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1	1905735	VXLWQWMNADXXCJ-LDADJPATSA-N	389.480	4.678	50	40	GJGB	
O=C1O[C@@](Br)([C@@H](Br)c2ccccc2)c2ccccc21	2323129	CQSCVJFNAOEPKT-DZGCQCFKSA-N	382.051	4.541	50	40	GJGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1	5736420	NMGWESRVLFALRY-UPMNJHNBSA-N	388.515	4.637	50	40	GJGB	
N#CSc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1	15838612	YMRHPHMGNOVEEW-UHFFFAOYSA-N	399.269	4.950	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1	20194765	FCIWPNWELYWBIR-AFUMVMLFSA-N	377.463	4.543	50	40	GJGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1	36352342	FUIMFQQUCKQBJO-KXBFYZLASA-N	393.487	4.602	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Cl)c1	408794174	IDOIVUSOTFRKCU-NTEUORMPSA-N	386.238	4.750	50	40	GJGB	
Cc1nc(Oc2cccc(NC(=O)C(Cl)Cl)c2)c(C#N)c(C)c1Cl	1078020	UFVOUCKPGOPXSB-UHFFFAOYSA-N	384.650	4.758	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OCC)c1OCc1ccccc1	6350986	IVCYFBMUCGRFFN-UNOMPAQXSA-N	378.497	4.586	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2)c1C	28215795	UZWDAMKBIOMDEG-ZVHZXABRSA-N	391.540	4.786	50	40	GJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(N3CCCC3)cc2C)cc1	108083756	JSOGGODXNIBEAQ-UYRXBGFRSA-N	377.463	4.842	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br	408583827	XDKGOVKJYPMVQC-MHWRWJLKSA-N	398.256	4.542	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NC1CCCCC1	409001164	UZVKFDJXUYZQMV-GXDHUFHOSA-N	398.846	4.654	50	40	GJGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	409044132	AZCDCPHXPLBWMY-MDWZMJQESA-N	389.238	4.809	50	40	GJGB	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1cccc(C(F)(F)F)c1	409230351	CEXKBTUAGNLDTP-BOPFTXTBSA-N	388.389	4.615	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1	20348066	HHDBAMGZJYSNFS-YLJYHZDGSA-N	389.524	4.771	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	408956361	WDRIGGXROFMGGT-PNWWAVQQSA-N	387.483	4.611	50	40	GJGB	
CCCCCC[C@H]1C=C[C@@H](CCCCCCCC(=O)O)[C@H]2C(=O)OC(=O)[C@H]12	86050909	ZRBIDSORDFCGOL-ONCXSQPRSA-N	378.509	4.890	50	40	GJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1	408747320	MCDWKCRARCCGBT-HAHDFKILSA-N	383.495	4.880	50	40	GJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409235790	QQRPFATVQTVRMW-AYCSXLNKSA-N	384.863	4.532	50	40	GJGB	
CC(C)(C)c1ccc(OCC(=O)NN=C2c3ccccc3-c3ccccc32)cc1	3239019	RDIHUFGBBINJEE-UHFFFAOYSA-N	384.479	4.912	50	40	GJGB	
CCCCOc1ccc(NC(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1	32511864	HPMMKJFVETWTGX-QJOMJCCJSA-N	382.508	4.867	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1Br	409219176	KDBRKJUUDYSDKD-LPYMAVHISA-N	397.272	4.710	50	40	GJGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3cccc(Cl)c3Cl)o1)C(C#N)=C(N)O2	818753	WRQPAIJSOIKMAC-HNNXBMFYSA-N	387.226	4.503	50	40	GJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1	1057895	JCPVHQJWKPLWLI-NRFANRHFSA-N	387.458	4.767	50	40	GJGB	
O=C(O)[C@H](c1ccc(Cl)cc1)c1ccc(N(CCCl)CCCl)cc1	2036650	DXCWSQTZKDNJLI-QGZVFWFLSA-N	386.706	4.841	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	408591282	SPGQORZIXHMZLU-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1[N+](=O)[O-]	408722616	MHFGQMJEBVXAFB-SRZZPIQSSA-N	383.791	4.581	50	40	GJGB	
COc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	1505468	WKBSMCGJNOCUDY-MFKUBSTISA-N	384.435	4.531	50	40	GJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)cc1	6970421	ZBFPXNISOWAUBC-HYARGMPZSA-N	387.936	4.573	50	40	GJGB	
Cc1ccc2c(c1)[C@@H]1[C@H]3c4cc(C)ccc4CC[C@@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]1CC2	103995613	YILBBFLJFLDAFW-ORMUKAMASA-N	386.491	4.625	50	40	GJGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(O)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223588848	GXSJGHCZAFPAMH-YSGZUTGPSA-N	393.531	4.965	50	40	GJGB	
N#C/C(=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1	409364443	XXMDEVRJYNHCCK-WZUFQYTHSA-N	379.597	4.780	50	40	GJGB	
O=C1N(Cc2ccccc2)c2ccccc2[C@]1(CBr)c1ccccc1	2145192	MCHULFOLTGHTHS-QFIPXVFZSA-N	392.296	4.914	50	40	GJGB	
O=C(NNc1ccc(Br)c(Cl)c1)c1cc(Cl)nc(Cl)c1	2158565	BBPGLIRDQQXFBS-UHFFFAOYSA-N	395.471	4.561	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1	2286703	SNDRNMFYACFPKJ-BTYIYWSLSA-N	390.870	4.857	50	40	GJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2C1	4922951	AHTVMEHGEVXHOB-MRXNPFEDSA-N	395.915	4.868	50	40	GJGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3cc(Cl)ccc3Cl)o1)C(C#N)=C(N)O2	9088346	SFTKJHZEHKIDTF-MRXNPFEDSA-N	387.226	4.503	50	40	GJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc2ccccc2c1	19861250	VSTSPLAXWCLEDG-OEAKJJBVSA-N	375.453	4.614	50	40	GJGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12	33341876	WKIOQEXDIILADK-IWIPYMOSSA-N	396.406	4.574	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c(C)c1	408739734	FBTBMMXPRXCTRB-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	408999530	LMLOVZOSKDTYBR-VBKFSLOCSA-N	376.847	4.688	50	40	GJGB	
O=C(N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl)C12CC3CC(CC(C3)C1)C2	4474764	UHZNQXKZBMHOEN-HYHFZPLNSA-N	391.342	4.820	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N3C2)cc1	4922480	CLEXLPQILGMHFV-FQEVSTJZSA-N	389.524	4.777	50	40	GJGB	
O=C(NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc(Cl)c1	5273194	ZHAOGPQQLBQUIS-IBGZPJMESA-N	396.899	4.635	50	40	GJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409234008	VLDPVDXZOFGFHC-FQNYJXRJSA-N	378.472	4.657	50	40	GJGB	
Cc1ccc(SCc2[nH]nc3c2[C@H]([C@H]2C=CCCC2)C(C#N)=C(N)O3)cc1	663788	LHFVVKPCXNHLOM-KBXCAEBGSA-N	378.501	4.537	50	40	GJGB	
O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1c[nH]c2ccccc12	3099091	JRYDZJUUIUOTBY-GZIVZEMBSA-N	396.661	4.657	50	40	GJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cccc(I)c3)nc2c1	5322624	CGYSIKGSXIXUPH-MDWZMJQESA-N	385.208	4.540	50	40	GJGB	
CCCCCOc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC	101730690	SOWCCPLKKPNHAE-NTUHNPAUSA-N	385.416	4.791	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1	7168195	KRNXWDMOAUHJPN-HMMYKYKNSA-N	384.435	4.820	50	40	GJGB	
COc1ccc(SCC(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1	9262007	ULYVIBKSJSMQNM-FYJGNVAPSA-N	398.509	4.682	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3C)c2C)cc1C	28216266	QARPFJBSKNHCMH-AFUMVMLFSA-N	389.499	4.549	50	40	GJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	40865458	UOLAEVNAFDZHQJ-SFQUDFHCSA-N	379.416	4.628	50	40	GJGB	
N#C/C(=C\c1cccn1-c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2	107893501	WDNFABHSHUVNBJ-DTQAZKPQSA-N	398.491	4.835	50	40	GJGB	
C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc2ccccc12	408567921	QKXUTYBXXOXNKZ-ONUIUJJFSA-N	378.431	4.769	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1cccc2ccccc12	408590895	RGACLAWDNGBERC-CVKSISIWSA-N	382.467	4.593	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC	408878423	BDZGEULDJJTWMS-NTUHNPAUSA-N	391.254	4.865	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(C)n3)o2)cc1	686871	FIJQAJAQAGYGGF-LFIBNONCSA-N	390.468	4.692	50	40	GJGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	1856145	PZXNYDOFNRSDFJ-LFIBNONCSA-N	390.424	4.897	50	40	GJGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	2766948	JDDMTCSTSJDICQ-KOEQRZSOSA-N	389.499	4.936	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1	4746444	MRDLPAYKWHZJBD-YVNNLAQVSA-N	393.299	4.502	50	40	GJGB	
COC(=O)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1	33410253	FZEJYFLCCJXGLM-CYVLTUHYSA-N	398.418	4.811	50	40	GJGB	
Cc1ccc(NP(=O)(NC(=O)c2cccn2C)Nc2ccc(C)cc2)cc1	102236305	OPTBYSIWVKKJHJ-UHFFFAOYSA-N	382.404	4.704	50	40	GJGB	
Cc1cc2nc(/C(C#N)=C\c3cccn3-c3ccc(C(=O)O)cc3)[nH]c2cc1C	408932952	FYPGSZLMLCFMKS-ATVHPVEESA-N	382.423	4.733	50	40	GJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)c1nc2ccccc2o1	409044400	BWGPFDLGWNEHKX-NBVRZTHBSA-N	395.418	4.909	50	40	GJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1	409243026	UNTBCIWNIJQQLC-ZHZULCJRSA-N	389.499	4.848	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N	4525328	LZZNPJUOUZVCHM-FOWTUZBSSA-N	395.397	4.789	50	40	GJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2C1	4922957	AHTVMEHGEVXHOB-INIZCTEOSA-N	395.915	4.868	50	40	GJGB	
Cc1cccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)c1	6967860	ATCWHLJQTGXGFQ-LPYMAVHISA-N	383.904	4.682	50	40	GJGB	
Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1-c1ccccc1	12510046	HLTBETHHZNUSTI-UHFFFAOYSA-N	395.677	4.898	50	40	GJGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1	31820017	YZWOOMQRTDXYQC-JOCHJYFZSA-N	398.441	4.612	50	40	GJGB	
O=C1CCC/C(=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)C1	103461464	MYBMIUIPZYWCCN-XYGWBWBKSA-N	391.858	4.784	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	408818052	OUFHBNGASZPZNX-HYARGMPZSA-N	399.494	4.635	50	40	GJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCCC4)cc3F)[nH]c2c1	409390478	DCFXCYRDZKUHMW-WJDWOHSUSA-N	376.435	4.765	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(F)cc1	1189805	VHNWFNMVTWDZPS-SDNWHVSQSA-N	377.331	4.540	50	40	GJGB	
O=C(COc1ccc2ccccc2c1)NN=C(c1ccccc1)c1ccccc1	3067648	ZPJIKPKTFKGDEV-UHFFFAOYSA-N	380.447	4.787	50	40	GJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccccc1Cl	4922938	OPBWYZYBNYIXGU-MRXNPFEDSA-N	399.878	4.699	50	40	GJGB	
O=C(Nc1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1	6885565	PHHSRGDMZQVFJZ-KGLIPLIRSA-N	383.083	4.525	50	40	GJGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)cc1[N+](=O)[O-]	408820827	ZGCLYHUAYLUGSP-GDNBJRDFSA-N	391.358	4.848	50	40	GJGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	1098486	IJNPSELBNCDCQY-QGOAFFKASA-N	384.391	4.723	50	40	GJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	7351634	QJKBWHNUUVMJMG-MHWRWJLKSA-N	384.863	4.992	50	40	GJGB	
COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc12	13425345	BHEHRVPHZYZBTL-RGEXLXHISA-N	395.462	4.596	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	30738501	ROORUPSPKRHCCC-USJMLKOBSA-N	399.878	4.800	50	40	GJGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OC(C)C)cc2OC(C)C)cc1	409363701	MNTDODPEHHZIHZ-IWIPYMOSSA-N	382.504	4.516	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)ccc3OC)n2)cc1	4071208	RANASRGFPGYOLL-MHWRWJLKSA-N	378.453	4.900	50	40	GJGB	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)c1	13916324	RMFOKASERWHSBK-QFIPXVFZSA-N	387.458	4.747	50	40	GJGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1	20132939	BBINICCBXKBAFV-MRVPVSSYSA-N	379.682	4.981	50	40	GJGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C2/CC[C@@H]3CCCC[C@H]3C2)c1Cl	36512047	YFOWJEONDAWTBW-OWUWNEOUSA-N	389.714	4.700	50	40	GJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-]	44827416	AKHOOVSPGDROOJ-RIYZIHGNSA-N	381.388	4.930	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccccc2)n[nH]1	57476902	MCFAGBFBDZBJDY-YDZHTSKRSA-N	390.830	4.754	50	40	GJGB	
FC(F)(F)C(F)([C@@H]1CCCC[C@H]1I)C(F)(F)F	63148600	MPDWEHWICQEPCD-PHDIDXHHSA-N	378.069	4.813	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c2ccccc12	98086333	AGARXFHCFPWKRK-RCCKNPSSSA-N	382.463	4.730	50	40	GJGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1	409062920	CYADYWJUCHDJPQ-LFVJCYFKSA-N	390.439	4.667	50	40	GJGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NC1CCCCC1	4502026	QVTPLFJIGBMZEU-JLHYYAGUSA-N	399.834	4.864	50	40	GJGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)Nc2ccc(F)cc2)c1C	4685361	HUXZMVPSNYJFNJ-ZVHZXABRSA-N	378.451	4.951	50	40	GJGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)cc1	103449591	HCYFCWIBECHPSO-WSDLNYQXSA-N	394.302	4.699	50	40	GJGB	
COc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1Br	408598645	GZQVOSIJPQYHRW-XYOKQWHBSA-N	386.274	4.991	50	40	GJGB	
N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(N)=O	408866489	GXPAJIMVHBQJMA-XSFVSMFZSA-N	378.431	4.964	50	40	GJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2O)cc(C(C)(C)C)c1O	2074796	WTNWRKVICCYHOS-MFKUBSTISA-N	396.531	4.776	50	40	GJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(Cl)c1	4815563	NLPYGORORMBWTD-SSDVNMTOSA-N	397.818	4.889	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	408805161	JALLQBYDMNGUPV-GNFOSXPUSA-N	399.494	4.887	50	40	GJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1	8166015	IXKIGVBMQZSIBT-UVTDQMKNSA-N	391.339	4.836	50	40	GJGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1cccc(Br)c1	408756158	UHVRYSQDKAEGAL-GXDHUFHOSA-N	393.240	4.854	50	40	GJGB	
O=C(N/N=C\c1c(F)cccc1Cl)c1cc2cc(Br)ccc2o1	408848447	ZAWDLSVIKMCQIC-ZBKNUEDVSA-N	395.615	4.752	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	408956360	WDRIGGXROFMGGT-LCJWNIEWSA-N	387.483	4.611	50	40	GJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409234006	VLDPVDXZOFGFHC-ARHDRIAESA-N	378.472	4.657	50	40	GJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(O)cc2)cc(C(C)(C)C)c1O	3062585	WUNRGPUPQANZRH-MFKUBSTISA-N	396.531	4.776	50	40	GJGB	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1	5322059	LAZXVTBLGKMVFI-IBGZPJMESA-N	398.304	4.513	50	40	GJGB	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](n2cnc3ccccc32)C1	575617037	MSQJHJUSAPBFPE-CVEARBPZSA-N	375.563	4.524	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1	947334	MZLZOQKCQHAIRV-LDADJPATSA-N	389.480	4.981	50	40	GJGB	
CCCCOc1ccc(NC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	1891552	HPMMKJFVETWTGX-HAVVHWLPSA-N	382.508	4.867	50	40	GJGB	
Cc1ccc(-c2cs/c(=N/NC(=O)c3ccccc3)n2-c2ccccc2)cc1	2677098	ZZAUSCPFBCYASG-WJTDDFOZSA-N	385.492	4.760	50	40	GJGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1	13882135	RYEAHKTYDHTJGT-ZXVVBBHZSA-N	399.494	4.986	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1	408601191	IXWXYNQOJUQKIM-QFEZKATASA-N	396.849	4.751	50	40	GJGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)cc1)c1cc2ccccc2o1	408843076	QEVIWJURKMWHQA-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
Cc1c(/C=C(/C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccccc1	15012567	JPFVTZSHLLRDFL-ZHZULCJRSA-N	395.462	4.814	50	40	GJGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1	4922669	CWPHIVKGUVYNAG-GOSISDBHSA-N	393.487	4.608	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1	5587446	DISDDTARKPNNLS-XKZIYDEJSA-N	396.288	4.621	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)c(C)c1	6063398	UHQLPPSPNBTZFX-VBKFSLOCSA-N	386.407	4.807	50	40	GJGB	
Cc1ccc(SCCNC(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)cc1	12794763	LZXNOJKZTKIONP-CPNJWEJPSA-N	379.529	4.564	50	40	GJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Cl)c1OC(F)F	24976278	GHJPRPXXDAKUNE-KPKJPENVSA-N	389.789	4.901	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1O	51074631	CWLQWZLQMOLJGB-QPEQYQDCSA-N	398.260	4.802	50	40	GJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409378874	SWBSJTKXNNFXPI-FOKLQQMPSA-N	394.302	4.626	50	40	GJGB	
Cc1ccc2nc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)cc(C)c2c1	871020	OJLABAQMSCGEID-WYMPLXKRSA-N	388.496	4.575	50	40	GJGB	
O=C(CCl)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12	3887625	ITGIDOWHENJHKI-CQSZACIVSA-N	381.690	4.962	50	40	GJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC	5035060	ORELHBXNFYRRAL-NTCAYCPXSA-N	393.468	4.812	50	40	GJGB	
O=C(NNc1cccc(Cl)c1)c1csc(COc2ccc(Cl)cc2)n1	30615824	TYLUEBPSNVSDFA-UHFFFAOYSA-N	394.283	4.786	50	40	GJGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccccc1	83315858	GRFZRCIRPDWHEK-QQXSKIMKSA-N	397.478	4.776	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1ccc2ccccc2c1	100923011	PVMQNIADHMFLSE-ZVHZXABRSA-N	379.847	4.628	50	40	GJGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	4359287	ZONGWEUZKRYYIW-ZXVVBBHZSA-N	399.494	4.725	50	40	GJGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1	4859708	IPYSBQOAJGSGLV-CHHVJCJISA-N	392.436	4.620	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OC	7164434	YCJNJBROLWBFMO-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	212127055	ZKMRONJDPFSOAN-JYRVWZFOSA-N	391.254	4.946	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl	409253022	YKEMPUZQCDYMDT-XGHPXPSOSA-N	399.277	4.790	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccncc1	2231570	HSYFZZZITQBCGC-WGOQTCKBSA-N	381.435	4.578	50	40	GJGB	
C=C(C)C(=O)Nc1ccc(/C(C)=N/NC(=O)c2cc(Cl)ccc2Cl)cc1	5517830	KBHQMDMKMLONIX-FSJBWODESA-N	390.270	4.662	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1	5769180	PXFZHQGPDYHVEL-SRZZPIQSSA-N	387.208	4.612	50	40	GJGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1cccc(Br)c1	6495941	NGRRJKNWNSAKTP-INIZCTEOSA-N	399.313	4.721	50	40	GJGB	
CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1	19816190	PVPCBLLASQCJLC-QFXXMJIKSA-N	383.495	4.558	50	40	GJGB	
CCn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	6570541	HMXDMGBVPFSXMR-SRZZPIQSSA-N	392.440	4.548	50	40	GJGB	
O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1cc(F)c(F)cc1Cl	20457348	PEMMGAQRVZJPPQ-IRXAZHPNSA-N	385.197	4.513	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC	33921976	UROKZENYCBJYBM-JRWMAURKSA-N	394.515	4.645	50	40	GJGB	
N#C[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104125950	NNFIKDPFUZLFOJ-AREMUKBSSA-N	379.443	4.978	50	40	GJGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ccnc3ccccc23)cc1	104208334	BEIQUHPCCPRYMS-IWIPYMOSSA-N	387.314	4.965	50	40	GJGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	207057210	CQFPZQCZZLQKSJ-WDZFZDKYSA-N	395.724	4.813	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(OC)c3)cc2[C@H](C)CC1(C)C	208321583	CSIAYNWUMYURHB-SCELWYEFSA-N	393.531	4.880	50	40	GJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	2670475	SJSMTVBWBARTGU-GHRIWEEISA-N	382.435	4.949	50	40	GJGB	
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccc(Br)cc1	12362312	JDPOTYWPPGDSIH-OEAKJJBVSA-N	396.288	4.555	50	40	GJGB	
C=CCNC(=S)NNC(=O)c1ccc(OCCCCCCCCCC)cc1	100286184	SJYZBZNZNMILKB-UHFFFAOYSA-N	391.581	4.501	50	40	GJGB	
Br[C@@H]1[C@@H](S[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100696911	SSHGJJMUKDEIMS-OKGBFWCWSA-N	380.189	4.844	50	40	GJGB	
C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)c1nc3ccccc3nc12	100746626	WWOOALUAGOTYDL-VFVAKGGASA-N	396.126	4.555	50	40	GJGB	
O=C(N/N=C\c1ccccc1OCc1cccc(F)c1)c1cc2ccccc2o1	408815497	RLWGEXJXDYTZKK-QFEZKATASA-N	388.398	4.915	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1C(C)(C)C	408956095	VYOZJXOSLMREGF-MOSHPQCFSA-N	388.515	4.607	50	40	GJGB	
O=[N+]([O-])c1ccccc1[C@H](Br)[C@H](Br)c1ccccn1	4235283	QBPGDIIPQCPVEE-QWHCGFSZSA-N	386.043	4.562	50	40	GJGB	biogenic
COc1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	6950550	XTRPCLHFWLODQT-ZVHZXABRSA-N	382.504	4.760	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	6960008	XMGFFLYUTSYAHY-OEAKJJBVSA-N	386.480	4.673	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)c(C)n1-c1cc(Cl)cc(Cl)c1	102215901	CURKMZHLEOQXQB-LNKIKWGQSA-N	382.254	4.568	50	40	GJGB	
C/C(=N\NC(=O)OC(C)(C)C)c1sc(Br)cc1Br	202498945	ZNBFTIYYXGRXLQ-MKMNVTDBSA-N	398.120	4.522	50	40	GJGB	
COc1cccc2c(/C=C(\C#N)C(=O)N3CCCCC3)c(-c3ccccc3)[nH]c12	408842151	MRVFOKWULHIZBF-OBGWFSINSA-N	385.467	4.763	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	408986857	NLIIXMUKBCFNNO-WUXMJOGZSA-N	376.199	4.756	50	40	GJGB	
Cc1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1801150	ICHPWJGIPGNRPL-HUUCEWRRSA-N	397.110	4.833	50	40	GJGB	
N#CC(/N=C/c1ccc(Cl)cc1)=C(/C#N)NCc1sc(Cl)nc1Cl	33657540	RTEIEYIGVJJLHY-CFVRDBSJSA-N	396.690	4.571	50	40	GJGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccccc3Br)oc12	226327760	JMORVXUARSYMQH-UHFFFAOYSA-N	379.641	4.743	50	40	GJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)o1	408816588	UYJIACBMWGDCTI-FWNDJVBTSA-N	393.443	4.765	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	5661819	XGDGJEDRENPROU-XYOKQWHBSA-N	377.227	4.556	50	40	GJGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1	31820020	YZWOOMQRTDXYQC-QFIPXVFZSA-N	398.441	4.612	50	40	GJGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1	33338446	DKTNWVDIMVZDPI-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408746041	WTFNXRFXKDWOCT-YBEGLDIGSA-N	382.847	4.768	50	40	GJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1	948721	YLECSDUWNQEZQZ-HMMYKYKNSA-N	382.419	4.760	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1-n1cccc1	2742589	UXNRFMMLIIRZFJ-NLRVBDNBSA-N	395.462	4.820	50	40	GJGB	
COc1ccc(/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)cc1OC	5328750	POVSLYNXWGZTDT-DHDCSXOGSA-N	387.277	4.596	50	40	GJGB	
CC(C)Oc1ccccc1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	5826997	NTOWNEXUEILQFF-RVDMUPIBSA-N	391.496	4.715	50	40	GJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	59418970	XODIABKBYLOYMI-SRZZPIQSSA-N	381.259	4.555	50	40	GJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)o1	408691945	ZKMHWQDUXSWLQK-VBKFSLOCSA-N	383.407	4.690	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OC	409391241	IGMWYXADAHEPFJ-QPEQYQDCSA-N	383.835	4.696	50	40	GJGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1	713482	DIMKJEDHNHRUCT-QHCPKHFHSA-N	399.494	4.699	50	40	GJGB	
O=C(N/N=C/c1ccccc1O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	1252029	XYANOSSWIQPGGW-ZMOGYAJESA-N	389.842	4.958	50	40	GJGB	
O=C(CCOc1cccc(Br)c1)N/N=C/c1ccc2ccccc2c1	3096880	CZHOPPYDOOTWMB-HYARGMPZSA-N	397.272	4.522	50	40	GJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1	5710459	SITFTWYABMXVLC-NBVRZTHBSA-N	376.456	4.706	50	40	GJGB	
CC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1	13943998	KSBBMTUKGABSSM-STZFKDTASA-N	383.451	4.842	50	40	GJGB	
Cc1ccc2oc(-c3cc(N4C[C@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1	45887520	JLQIIAIQNIDAEY-LLVKDONJSA-N	389.238	4.575	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409048137	QKINIOWJXUMNON-MDWZMJQESA-N	389.213	4.690	50	40	GJGB	
COc1cccc2cc(C(=O)N/N=C/c3cn(C(C)C)c4ccccc34)oc12	409166135	CKXUFNBLJFGKDK-FSJBWODESA-N	375.428	4.741	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)CC(C)C)ccc1OCc1cccc(Cl)c1	685638	NZFIENOXGKJQRA-YDZHTSKRSA-N	388.895	4.814	50	40	GJGB	
Cc1cc(-c2n[nH]c3c2[C@@H]([C@@H](C)c2ccccc2)C(C#N)=C(N)O3)c(C)s1	987158	KQGNNJYOJBLPNH-SJCJKPOMSA-N	376.485	4.729	50	40	GJGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4cccs4)CC(=O)N3C2)cc1	2326568	GECNFQSCKZVWLR-MRXNPFEDSA-N	381.526	4.530	50	40	GJGB	aggregator
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NC1CCCCC1	15227468	HPADJOMAEDCGMG-SQFISAMPSA-N	398.304	4.596	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(F)c3)cc21	208251430	YYISGOBSXOBOIV-LFWZTCNZSA-N	387.886	4.965	50	40	GJGB	
Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(Cl)c1	408995930	CBTZNPRWMCIGHR-FBHDLOMBSA-N	376.243	4.758	50	40	GJGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2)c1C	409001006	ZRYGUXZEOCXERX-OYKKKHCWSA-N	379.891	4.749	50	40	GJGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc2)cc1	3303980	CANVQVVKBDOJES-CPNJWEJPSA-N	377.440	4.574	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC1CCCCC1	6252606	JJDDCUDFVOWWPO-HYARGMPZSA-N	393.516	4.567	50	40	GJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1	408746105	QWAXDMHZBQSJHZ-ATVHPVEESA-N	391.858	4.999	50	40	GJGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(C=C(C#N)C#N)c1Cl	408807090	CADLKDBLCYBKRJ-UHFFFAOYSA-N	376.199	4.937	50	40	GJGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408865964	CXBQQUWTTNSRLQ-OVCLIPMQSA-N	385.261	4.702	50	40	GJGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccco1	5414897	OQOKRHBFALICSM-HZHRSRAPSA-N	382.847	4.974	50	40	GJGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3cc(Cl)ccc3Cl)o1)C(C#N)=C(N)O2	9088347	SFTKJHZEHKIDTF-INIZCTEOSA-N	387.226	4.503	50	40	GJGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccc(Br)cc1	59250392	UQDVIOVBUJQLGW-SQFISAMPSA-N	392.256	4.785	50	40	GJGB	
CN(C(=S)SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1)C1CCCCC1	101542425	HJWRBRYEHDMZIB-VKAVYKQESA-N	386.546	4.638	50	40	GJGB	aggregator
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1Cl	409014424	PPDNRBRSPDWZNC-BTXKWLAHSA-N	395.286	4.700	50	40	GJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(Br)cc1	409142348	KZKCGDQRJKMUFM-GNUZOCDUSA-N	391.334	4.779	50	40	GJGB	
CCCSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1	4728498	JGXSKDZIWDCERY-LJQANCHMSA-N	382.529	4.904	50	40	GJGB	
CCOc1cc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1C(C)C	408850554	BXAHSOLDOKTEHT-FSJBWODESA-N	388.895	4.700	50	40	GJGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)c1	408882758	NUZRNXBBIRSRFZ-OYKKKHCWSA-N	394.858	4.692	50	40	GJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Br)o1	252496724	PPZGGPRYZJNIRO-YFHOEESVSA-N	380.625	4.833	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Cl)c1O	408812942	PXOOYKNGXBDKNM-WUXMJOGZSA-N	377.227	4.562	50	40	GJGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C2CCCCC2)cc1	15938738	SDSGRQYIMQCUSX-XQNSMLJCSA-N	379.460	4.725	50	40	GJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	16436884	NRHQUUNEANDKBL-KPKJPENVSA-N	376.199	4.756	50	40	GJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	20198191	DWRVFYNPCKVGAI-MFKUBSTISA-N	393.462	4.786	50	40	GJGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	50647954	SMIZICRIYITYGW-MTJSOVHGSA-N	391.456	4.771	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2nc(-c3ccccc3)cs2)cc1	58250141	KKLQHFCRVGJJFO-VBKFSLOCSA-N	375.453	4.754	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	1053461	YKLJUNHDXVHCOU-OQLLNIDSSA-N	375.255	4.568	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1	2161569	HXOXHSDTLQZFIV-SSDVNMTOSA-N	393.786	4.912	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)cc1	6935029	LCWBPROPFQWZSF-ZVHZXABRSA-N	395.890	4.910	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(C)C	408987293	WAPGDWMIWRXJQK-XDHOZWIPSA-N	378.472	4.974	50	40	GJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC	409073986	OWDJJPGRVSBIOO-XDHOZWIPSA-N	376.456	4.595	50	40	GJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cccc(C)c2nc1C	685590	NENJTDWIOYGOPV-AFUMVMLFSA-N	383.451	4.777	50	40	GJGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1	954179	KXWWIUKCQIBPKQ-MHWRWJLKSA-N	379.872	4.933	50	40	GJGB	
CCOc1ccc(CCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	5872991	ABCVSEFXABWDNZ-LPYMAVHISA-N	379.287	4.865	50	40	GJGB	
COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc12	8116136	CZVKRMALNMTUHA-WSDLNYQXSA-N	384.888	4.744	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)c(Br)c1	8368389	BKSSXEINUHOKID-LPYMAVHISA-N	397.272	4.710	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	59334609	ULUGJFRKEZOAOK-ZHZULCJRSA-N	379.463	4.838	50	40	GJGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1	223545355	JOQVJZUBKQNAOQ-SCELWYEFSA-N	393.531	4.960	50	40	GJGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408792440	BMRILNDBBHBJKX-CXUHLZMHSA-N	384.863	4.910	50	40	GJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(O)c1	408987878	PEDDJEXJPXCEAZ-WJDWOHSUSA-N	383.879	4.746	50	40	GJGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1	409069647	WPFWGNJKWOTDPW-XMHGGMMESA-N	391.448	4.527	50	40	GJGB	
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c21	5409166	UKMIDSSUDIQZHC-INIZCTEOSA-N	397.265	4.910	50	40	GJGB	
CC(C)n1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	96930584	QHRIMINAJYDAIC-JJFYIABZSA-N	390.399	4.641	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)cc1	408799773	KYPXDURWPYCAIJ-XQNSMLJCSA-N	383.495	4.668	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(Br)cc2)cc1	1912810	NARRNMWHJZRZNG-NTCAYCPXSA-N	386.245	4.750	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1	4550354	WTJHYVGSVJNPAC-NBVRZTHBSA-N	377.440	4.673	50	40	GJGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1	9089340	ASPLAHCIBDCZPE-AUEPDCJTSA-N	398.253	4.629	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c1	14134349	BJQHIJYSRVYFJV-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	16439268	ZHZNSSNLVQEOMV-OQLLNIDSSA-N	385.261	4.620	50	40	GJGB	
N#CC1=CN(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2S1(=O)=O	38488024	AHNOVXKTWCLSMY-UHFFFAOYSA-N	384.766	4.649	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3)c2C)cc1	409186603	FLEJHTYCFBLXBN-HAHDFKILSA-N	376.460	4.648	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1ccc2ccccc2c1	4474123	NCTHRMJFEPFSET-MFKUBSTISA-N	393.874	4.936	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1	41078035	VHCBDAWRANNTPD-LFVJCYFKSA-N	381.439	4.695	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncccn1	98053254	TUIGHRSFRZALKY-XYOKQWHBSA-N	385.210	4.589	50	40	GJGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3O)sc2c1Cl	408970443	HYQSMJKROHHJNR-ZBKNUEDVSA-N	395.267	4.686	50	40	GJGB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(N)=O)c3ccccc32)c1	872769	KKAPKJQTWTYZTE-QGOAFFKASA-N	387.483	4.544	50	40	GJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2	39991767	IJGXJCBNEFSPEE-DHZHZOJOSA-N	385.851	4.837	50	40	GJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)cc1	1444485	CAMGBFLWCACILF-TXNCNXKJSA-N	387.483	4.785	50	40	GJGB	
CC(=O)n1c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F	2322767	CSRYOTLADGHBPE-KRWDZBQOSA-N	397.356	4.538	50	40	GJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c([N+](=O)[O-])c1	4819179	BDWONAOHWQYQPT-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	14152138	SSJBHAAQAIIKKN-MDWZMJQESA-N	397.887	4.706	50	40	GJGB	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)Nc1c(Cl)cccc1Cl	98055351	QOFWUYJJEKKTHO-UXBLZVDNSA-N	391.645	4.840	50	40	GJGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(O)c1	409098635	ONZXCCRKJNMSTJ-XKZIYDEJSA-N	382.872	4.961	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1O	7156301	WFKHCHVCEJPTNY-KPKJPENVSA-N	377.227	4.643	50	40	GJGB	
N#CSc1ccc(NC(=O)COc2cccc(Cl)c2)c(Br)c1	7780777	KUSOWVZLTBZKLO-UHFFFAOYSA-N	397.681	4.693	50	40	GJGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(-c2ccccc2)cc1	9110816	QRIYASCBGWOVLB-KOEQRZSOSA-N	380.451	4.898	50	40	GJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)cc1C(=O)O	408852556	UAOBBYQWONCRES-AFUMVMLFSA-N	398.418	4.870	50	40	GJGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O[C@@H](C)c1ccccc1	4511539	MHZNNPZVMLVUTK-FLVDCRJSSA-N	389.455	4.991	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	6209982	FBSVZFSTZSRCDW-XSFVSMFZSA-N	398.418	4.509	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC	7210540	JPWGZXHRQSNGMA-AWNIVKPZSA-N	391.254	4.865	50	40	GJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C	408534567	WCANBSWWACDBHX-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
O=C(NN(c1ccccc1)c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	676960	ADRXCZCVFDOCMD-UHFFFAOYSA-N	390.424	4.688	50	40	GJGB	
Cc1cccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc12	1223572	XVOUGCLIXXSAAL-KRWDZBQOSA-N	393.874	4.648	50	40	GJGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	1453859	CRLIUTGYQDIZDY-RVDMUPIBSA-N	385.261	4.782	50	40	GJGB	
CCCCCCc1ccc2c(c1O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	1828334	IUISUNJLSMLURP-IBGZPJMESA-N	393.443	4.641	50	40	GJGB	
CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(CCCC2=O)N1	19902843	KFJTXHJOWRCLPR-HSZRJFAPSA-N	388.442	4.896	50	40	GJGB	
Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)O[C@H](C)C3)C(C)(C)C)c1	21983842	TUCSJFNYZJYLHE-MRXNPFEDSA-N	394.515	4.521	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccccc1	41078036	AFXWGLANZOLTKA-HYARGMPZSA-N	387.468	4.756	50	40	GJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1	58927145	QNVMWTUQVGIDDO-XTVKVDEJSA-N	389.499	4.549	50	40	GJGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc2Cl)c1	59334119	YASCZRXPVRTBGL-PXNMLYILSA-N	389.282	4.876	50	40	GJGB	
Cc1c2ccccc2c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc12	8300470	QHJJUPJHWKIKBG-DHRITJCHSA-N	382.419	4.794	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1	16954788	BQIKJILJERHAJA-JLHYYAGUSA-N	396.403	4.843	50	40	GJGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408719851	NIXBEULHMRYKLI-MRSJDWDVSA-N	390.508	4.897	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1	408991495	XSCZRIKKVLMAAI-UCQKPKSFSA-N	383.495	4.934	50	40	GJGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1	409316974	NBYNUZAAVZRXJB-QGZVFWFLSA-N	384.888	4.621	50	40	GJGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Cl)cc1	409366256	TUXGUUXPFAGDDV-DHRITJCHSA-N	395.890	4.843	50	40	GJGB	
O=C(CCl)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12	2202342	ZISRMFJAVTVVQT-UHFFFAOYSA-N	392.636	4.604	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1	20195044	QVJZNZSZSPQLLF-CVKSISIWSA-N	390.458	4.714	50	40	GJGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1	67192602	KTRMFDYPFOAPSY-FSJBWODESA-N	382.847	4.746	50	40	GJGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\C=C\c2ccc3c(c2)OCO3)cc1	4592655	OGRXFAAPJLUEPD-ADZYKBMCSA-N	390.483	4.632	50	40	GJGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1O	4827633	DHUJCOFOIRUJGS-OBMCKAMCSA-N	394.818	4.931	50	40	GJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1cccc2ccccc12	5289310	MMULFXLOOISEGL-ZVHZXABRSA-N	379.847	4.628	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1cccnc1	5409205	NZURDOJFGZURPP-FQEVSTJZSA-N	397.482	4.738	50	40	GJGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	9201235	RIASYFSPEZPIND-VULFUBBASA-N	385.442	4.901	50	40	GJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSc3ccccc3)c2C)c1	28216180	PLXKBESQCXCWGR-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1	102197666	ISKWBCVIVDSZNF-LGBHXNNWSA-N	394.265	4.624	50	40	GJGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(F)cc3)cc1)C2	408729745	JDIRYENHMTUYAC-LGJNPRDNSA-N	387.458	4.727	50	40	GJGB	
CSc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1	685528	IOLPCJBPVWZXGZ-WSDLNYQXSA-N	395.553	4.816	50	40	GJGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1	954219	IUAUBJQZVNLZGL-OQLLNIDSSA-N	395.871	4.639	50	40	GJGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/c1c(O)ccc2ccccc12	2100782	PXDXAUOKFYVERK-NZYROCMPSA-N	395.890	4.848	50	40	GJGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	2780082	QHDZZKOCGJXPQB-CIAFOILYSA-N	389.293	4.519	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cccc(Cl)c1Cl	5409180	HYZBUCWIZLOYGR-LBPRGKRZSA-N	389.267	4.663	50	40	GJGB	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CC(C)(C)C3)c1	6627133	WQTHYXNVNGVADR-QFIPXVFZSA-N	398.510	4.639	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2C)c1	6822258	MPSOCFLOIAMUFN-CPNJWEJPSA-N	399.450	4.646	50	40	GJGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1	33418323	XUWHBTIPKVGMTR-PYCFMQQDSA-N	376.500	4.912	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408801970	XJTFMXQWLVILBX-AWNIVKPZSA-N	391.254	4.865	50	40	GJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1	409369927	HTZIKYLRSGJYAE-XDHOZWIPSA-N	391.858	4.980	50	40	GJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	5750427	ZKWPQTDFSFVJHN-LICLKQGHSA-N	394.858	4.523	50	40	GJGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	16282800	MKQPNDMWKUUGFY-IZVPMIMASA-N	396.874	4.728	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1C	408566487	GVVMBGAGGMHGOI-JVWAILMASA-N	395.506	4.999	50	40	GJGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	3308111	DNCRGXPAUJDBNS-SFQUDFHCSA-N	383.407	4.756	50	40	GJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)cc1Cl	4673135	XONZOLQALGFAAI-WSDLNYQXSA-N	397.818	4.542	50	40	GJGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc2ccccc12	23215244	INIXQJBZPUGUDX-XNTDXEJSSA-N	393.240	4.854	50	40	GJGB	
COc1cccc(/C=C(\C#N)C(N)=S)c1OCc1ccc(Cl)cc1Cl	33726104	VJKRPNLAUSXMMR-NTUHNPAUSA-N	393.295	4.774	50	40	GJGB	
COc1ccc2nc(NP(=O)(c3ccccc3)c3ccccc3)sc2c1	978101	NVYQYTSPPQUHSK-UHFFFAOYSA-N	380.409	4.646	50	40	GJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1nccs1	2645319	DSWTZCUNUXAXKI-LGMDPLHJSA-N	397.463	4.541	50	40	GJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1	5906585	BYFMWCJQZICEHW-PCLIKHOPSA-N	388.467	4.737	50	40	GJGB	
CC(C)(C#CC(=O)O)OOC(c1ccccc1)(c1ccccc1)c1ccccc1	38141370	JNAZZFXDGRIHGD-UHFFFAOYSA-N	386.447	4.793	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	408815431	JJGSLNMCMYSQEH-ATVHPVEESA-N	392.842	4.832	50	40	GJGB	
O=C(Nc1cccc2ncccc12)c1ccc(N(CCCl)CCCl)cc1	1686226	BUGBIROATHYNDL-UHFFFAOYSA-N	388.298	4.771	50	40	GJGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)cc1	1773137	SURRHBQIYJWRJX-XDJHFCHBSA-N	392.455	4.588	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NC1CCCCC1	5749656	WPCRKVKVGHOFLP-GXDHUFHOSA-N	399.834	4.864	50	40	GJGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2C[C@H](c3ccccc3)CC=C12	16037935	SVKRRWGGOBPWRH-UNWVZKJWSA-N	376.463	4.674	50	40	GJGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(F)cc1	660460	LSCPHLMZAARCQT-ZZQPOVDQSA-N	395.503	4.864	50	40	GJGB	
COc1ccc2cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c(Cl)nc2c1	685645	OXRFTEYVUZGICO-UMYHVIPVSA-N	399.903	4.528	50	40	GJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(Cl)c(Cl)c1	806323	WZUMCLJFUFLVAQ-CYBMUJFWSA-N	389.267	4.663	50	40	GJGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	5905700	CBUBIAAYYRXJDY-INIZCTEOSA-N	397.265	4.910	50	40	GJGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	5905837	CBUBIAAYYRXJDY-MRXNPFEDSA-N	397.265	4.910	50	40	GJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1O	14134740	TZXGWQPRZNVTEO-WGOQTCKBSA-N	396.446	4.888	50	40	GJGB	
CC(C)(C)OC(=O)Nc1c(C(=O)CBr)cccc1C(F)(F)F	199829829	MQTPUVUSTJXKDW-UHFFFAOYSA-N	382.176	4.630	50	40	GJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408885053	ZUTXQFFQFRAXOS-WUXMJOGZSA-N	376.199	4.756	50	40	GJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	409362606	RVGGQPGIMLQHPA-WSDLNYQXSA-N	397.818	4.509	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc12	2293408	BHEHRVPHZYZBTL-XMHGGMMESA-N	395.462	4.596	50	40	GJGB	
CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1CC(C)C	4149712	DYEKNKNRPOFWRB-KRWDZBQOSA-N	385.489	4.692	50	40	GJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)cc3)n2)cc1	4995874	AEKAHBQSPXQALP-BOPFTXTBSA-N	376.437	4.808	50	40	GJGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccccc1SCc1cccs1	14183571	KLXDDKGOHOSQPF-UHFFFAOYSA-N	385.470	4.706	50	40	GJGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1ccccc1	59445257	SYNYLAHLZWASIH-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
Cc1ccc2c(c1)[C@@H]1[C@H]3c4cc(C)ccc4CC[C@H]3[C@H]3C(=O)OC(=O)[C@@H]3[C@H]1CC2	103995603	YILBBFLJFLDAFW-CWWQAOSHSA-N	386.491	4.625	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccnc2)c1C	408773537	LUFRLONKYHHVSC-ZDLGFXPLSA-N	390.874	4.997	50	40	GJGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1	408797175	BNQGRDUBFXGJOC-XUWMWVKWSA-N	399.494	4.739	50	40	GJGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(F)cc1	408808815	GENJXTSWXXJECA-IHXXJONOSA-N	379.479	4.835	50	40	GJGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1OCc1ccc(F)cc1	408847756	OOKNOSIBEOUPSE-LGJNPRDNSA-N	394.421	4.925	50	40	GJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1	409253114	YRWFXHPFEUAUJS-QFEZKATASA-N	396.849	4.751	50	40	GJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1	3169707	AODJCTDKSMWSLG-YZSQISJMSA-N	393.446	4.856	50	40	GJGB	
Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c21	5409167	UKMIDSSUDIQZHC-MRXNPFEDSA-N	397.265	4.910	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)OC	6355033	TXXIYMHIJBBILD-UYRXBGFRSA-N	387.435	4.854	50	40	GJGB	
CCc1ccc([C@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc1	20238010	ANSKWMFJBODYFG-LJQANCHMSA-N	381.545	4.597	50	40	GJGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1O	44827382	PLKKAUNYAKPRLS-NVNXTCNLSA-N	393.424	4.887	50	40	GJGB	
O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1	1085215	SBNNYDUFLHZXKP-OEAKJJBVSA-N	392.846	4.748	50	40	GJGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	4263918	ZFRHXSREHMXGCL-MHWRWJLKSA-N	391.408	4.569	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	10041819	DJKBKCJBWHQDCR-CIAFOILYSA-N	386.860	4.857	50	40	GJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)cc2)c1	33770710	NDNOSWLLGMSKDY-HMAPJEAMSA-N	393.446	4.991	50	40	GJGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccccc1F	2197072	SRJKXSNDKRDZJL-INIZCTEOSA-N	399.878	4.699	50	40	GJGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccncc2)nc2ccccc12	6830999	UAZJNXATAQJIHJ-JFLMPSFJSA-N	391.434	4.542	50	40	GJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1	7210404	CCLAUVDRDCLKLW-NTUHNPAUSA-N	375.653	4.957	50	40	GJGB	
COc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1	59773889	IFIWYJLUOFPZKP-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	408767458	XVPBGMQDAWCPLO-GDNBJRDFSA-N	385.261	4.782	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1	409062932	DBIZBOQSHAOZFA-WGARJPEWSA-N	388.515	4.582	50	40	GJGB	
COc1ccc(-n2c(SCCCl)nnc2-c2ccc(Cl)cc2)cc1	1581235	LORYGQYFGHFUAV-UHFFFAOYSA-N	380.300	4.927	50	40	GJGB	
COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl	3050544	ITTFHHFDXPAGID-BUVRLJJBSA-N	378.859	4.631	50	40	GJGB	
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl	103538799	DMMHVXBSRBOTSE-UHFFFAOYSA-N	394.583	4.683	50	40	GJGB	
O=C(Cc1ccccc1)NNC(c1ccccc1)(c1ccccc1)c1ccccc1	4017496	RHTFHYXBFUINTM-UHFFFAOYSA-N	392.502	4.842	50	40	GJGB	
O=C(Nc1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1	6885566	PHHSRGDMZQVFJZ-ZIAGYGMSSA-N	383.083	4.525	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(C)C	7157193	SIUCVZSNHUNNOG-RONKMWSCSA-N	378.472	4.514	50	40	GJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	7157209	AREYMOWQVVGVLO-VUODPORTSA-N	387.395	4.639	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(F)cc2)c1C	8812257	KALQFAMLEKXEKX-WYMPLXKRSA-N	399.853	4.659	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	16852105	OPXYFZDSLBFDQC-MDWZMJQESA-N	391.254	4.946	50	40	GJGB	
N#C/C(=C\c1cccc2c1OCCCO2)c1ncc(C(F)(F)F)cc1Cl	53106613	SNPXAUGWWFDOFA-KPKJPENVSA-N	380.753	4.979	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1O	59302922	OFFFJZIRPMLSSO-UNOMPAQXSA-N	376.456	4.682	50	40	GJGB	
CNc1ccc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]	98054184	NCLFJAMAGQHBEZ-ONNFQVAWSA-N	382.729	4.768	50	40	GJGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	409392767	NNIJVBIYUCKRRQ-SXGWCWSVSA-N	391.358	4.994	50	40	GJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)cc1	1211498	PZXRSPGLUZFPLF-FYWRMAATSA-N	376.437	4.985	50	40	GJGB	
O=C(Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1)c1ccc(F)cc1	3089824	LQPDNHMPXSCWQS-KCYFPNEXSA-N	387.414	4.507	50	40	GJGB	
Cn1c([C@@H]2CCCN2C(=O)CCCC[C@@H]2CCSS2)nc2ccccc21	68269658	XWSHPFNKLDZRSP-QAPCUYQASA-N	389.590	4.951	50	40	GJGB	biogenic
COc1ccc(NC(=O)/C(C#N)=C/c2csc(-c3ccco3)n2)cc1Cl	89457517	JRPBEWJORFBOEF-YRNVUSSQSA-N	385.832	4.611	50	40	GJGB	
CC(C)(C)[Si](C)(C)OC[C@H]1OCC=C[C@@H]1OC(=N)C(Cl)(Cl)Cl	195875630	QMOQMTHHTKVTRP-WDEREUQCSA-N	388.795	4.696	50	40	GJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1	408848991	XPMBZPFWIAFGJB-UUYOSTAYSA-N	389.367	4.673	50	40	GJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408881665	LOLMFTOYCHWTLF-WUXMJOGZSA-N	391.652	4.657	50	40	GJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1	6829738	INZNILKTTJAIPJ-YDZHTSKRSA-N	390.830	4.550	50	40	GJGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCc1ccco1	1091305	ZAXCOQZZLOSBKK-GXDHUFHOSA-N	397.228	4.525	50	40	GJGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccccc1	2201257	ASOCCOSISJFHQL-QGZVFWFLSA-N	381.888	4.559	50	40	GJGB	
O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl	3178770	MTTGTVBFZSXDKG-BUVRLJJBSA-N	378.859	4.612	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1O	5131188	UXSUKUBANFANHZ-WUXMJOGZSA-N	377.227	4.562	50	40	GJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	20567829	IMRXRVLSBIDWOK-QGOAFFKASA-N	396.450	4.821	50	40	GJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)sc(C)c1C	6076398	NYZXZUQZMLXOLI-ZROIWOOFSA-N	388.876	4.741	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2C)cc1	6209979	JXDANUMVHZBWTH-DEDYPNTBSA-N	399.450	4.646	50	40	GJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccccc1C	6614756	DMHCWCNFVOGQDQ-PCLIKHOPSA-N	383.451	4.711	50	40	GJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1C	28217257	BFONJRBAJVHKCP-ZMOGYAJESA-N	395.890	4.585	50	40	GJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc2ccccc2c1O	409176904	AMRZIOOEFSXBGS-SSDVNMTOSA-N	384.888	4.582	50	40	GJGB	
O=[P@@](CCl)(OCC(Cl)(Cl)Cl)N(CCCl)CCCl	2043648	GBTUMKGIELCXQR-KRWDZBQOSA-N	385.870	4.542	50	40	GJGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)CCC(=O)Nc1ccccc1Cl	2134217	NGVQBDSNNZEXAM-JCIZPVLLSA-N	375.900	4.853	50	40	GJGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)c1	3175019	XDDOSTWAPNGKAF-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1OCCOc1ccccc1	3259831	RZMATQNBWJXHPV-UKQHYDMASA-N	386.451	4.573	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2c[nH]c3ccccc23)n[nH]1	5928967	RHTBYJLWYSOUTE-NUGSKGIGSA-N	398.253	4.629	50	40	GJGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])nc1-c1cccs1	102990313	IHVWUVWETWIITP-LCYFTJDESA-N	396.453	4.802	50	40	GJGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1	408541279	FQDSVXHVCJRFSP-BKUYFWCQSA-N	399.402	4.726	50	40	GJGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	4545316	NZWPKILZNYTNIH-BRJLIKDPSA-N	383.329	4.601	50	40	GJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3)c2C)cc1	6935016	SJPPPOBEQHZIIW-BUVRLJJBSA-N	375.472	4.565	50	40	GJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	209483852	PSAPAGYNOBWXBJ-LICLKQGHSA-N	382.257	4.842	50	40	GJGB	
CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccccc1	408850479	ASWZKHIBBXBWJN-UHFFFAOYSA-N	383.245	4.857	50	40	GJGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1cccc(Br)c1	6495942	NGRRJKNWNSAKTP-MRXNPFEDSA-N	399.313	4.721	50	40	GJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	408737083	HZGVOFXMVLTEEP-AFUMVMLFSA-N	389.842	4.555	50	40	GJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(O)cc1	408797666	SJZANISTGVVILF-QGOAFFKASA-N	388.398	4.656	50	40	GJGB	
Cc1ccccc1COc1ccc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)cc1	409368818	NZDVLBMEVAEKMH-HXUWFJFHSA-N	391.540	4.917	50	40	GJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	409386577	NBGFVANWPNQTEX-KGENOOAVSA-N	394.478	4.785	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1C(C)(C)C	8334063	RGZXJRAEQOWCDI-SRZZPIQSSA-N	377.941	4.756	50	40	GJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	59297037	YMXWWIIVUKCKCP-KPKJPENVSA-N	380.753	4.913	50	40	GJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC	408743990	IYNKHLGUSDQZRC-VBKFSLOCSA-N	397.272	4.732	50	40	GJGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409065084	HFXWMXUZYNRNJX-XSFVSMFZSA-N	388.423	4.798	50	40	GJGB	
Cc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1	409251581	AKTZASILEULRQJ-OEAKJJBVSA-N	386.480	4.673	50	40	GJGB	
CCn1c(C)c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409392715	RLFIANCDLRENTK-CVKSISIWSA-N	384.483	4.685	50	40	GJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCCCC2)cc1	147993307	ICRUHROQJOBXRR-UNOMPAQXSA-N	381.483	4.685	50	40	GJGB	
C[C@@H]1CCc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OC(F)F)sc2C1	5525573	IFPCHEWDXUFRMD-CEXMDJMXSA-N	391.399	4.842	50	40	GJGB	
Cc1csc(SCC(=O)/C(C#N)=C2\Nc3cc(Cl)ccc3S2)n1	12822948	NBQVLHKIXHDNDQ-GXDHUFHOSA-N	379.919	4.719	50	40	GJGB	
Cc1sc2nc(/C(C#N)=C\c3cccc(Br)c3)nc(O)c2c1C	57547854	UICKXBDXEOMPLA-SDQBBNPISA-N	386.274	4.840	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)cc1Cl	408734437	GKXMTUVBQOIJNG-UUILKARUSA-N	375.211	4.576	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1OCC	2758569	URKDRJOSKBRFAQ-ZVHZXABRSA-N	379.460	4.509	50	40	GJGB	
C=CCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1	5480638	FKZIMCXGLPJGFE-IBGZPJMESA-N	376.481	4.523	50	40	GJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	6201839	CSLIEHVELIXNDL-STZFKDTASA-N	391.515	4.842	50	40	GJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(Cl)cc1Cl	6286653	OLUKFDQLWPJZLB-LIMNOBDPSA-N	390.192	4.574	50	40	GJGB	
CCCO[C@@]1(C(=O)Nc2ccc(OCCBr)cc2)CCC[C@@H](C)C1	225662287	WCGUGFSLHVGIIA-BEFAXECRSA-N	398.341	4.774	50	40	GJGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)c1C	408798442	IIORSXAGOPFIQL-LFVJCYFKSA-N	397.522	4.977	50	40	GJGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12	408987948	CCFHKABSBMIBGL-CVKSISIWSA-N	397.478	4.771	50	40	GJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)o2)c1	408991424	OCLHIIOZYWPZKH-FOWTUZBSSA-N	375.453	4.988	50	40	GJGB	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12	3162135	QDQXMZMWQUNAML-NFXIUMSZSA-N	390.483	4.895	50	40	GJGB	
Cc1nn(CC(C)C)c(C)c1CCC(=O)NNc1ccc(Cl)c(Cl)c1	12902537	NZEMCJWAPNEIMA-UHFFFAOYSA-N	383.323	4.539	50	40	GJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccco1	58835150	OTTTYSGXECJWMC-SSDVNMTOSA-N	389.238	4.929	50	40	GJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3)c2C)cc1Cl	409062893	CLMJJBQYDBNMJP-YDZHTSKRSA-N	381.863	4.520	50	40	GJGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(F)cc1	4784631	NIARMLZLYWXXLB-NHDPSOOVSA-N	387.208	4.612	50	40	GJGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3C)C3=C2CCCC3=O)cc1	6715269	AEBHWUSFGOFVHM-QHCPKHFHSA-N	383.495	4.917	50	40	GJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc(Cl)c(Cl)c1	13596886	UAJWVLVWNIMBMB-FBHDLOMBSA-N	394.283	4.767	50	40	GJGB	
O=c1c2ccccc2nc(CBr)n1-c1ccc(Cl)cc1Cl	33373659	GOJQFRZSVDXDDW-UHFFFAOYSA-N	384.060	4.587	50	40	GJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	408898558	WWOJTGDCAHXAID-RVDMUPIBSA-N	398.850	4.640	50	40	GJGB	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1c(F)cccc1Cl)Sc1ccccc12	850164	FYVQRJMFFPQFJF-INIZCTEOSA-N	380.835	4.618	50	40	GJGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1	942713	MIOXGZUIQZQBLH-ZVHZXABRSA-N	394.858	4.692	50	40	GJGB	
CCOc1ccc(C(=O)c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)cc1	3426853	UZKUSYQJJQGAHL-GFCCVEGCSA-N	391.920	4.680	50	40	GJGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1	4631538	OYZPBJXCKCMVDS-PTSWNOGYSA-N	392.453	4.831	50	40	GJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	4723463	WVEJMVAPTYLSJR-GZTJUZNOSA-N	394.858	4.605	50	40	GJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2cccnc2)nc2ccccc12	5573450	KANPVHVVSCMNDK-DHRITJCHSA-N	386.842	4.714	50	40	GJGB	
O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	22699158	SJEJIVGQGBKNDA-SJLPKXTDSA-N	392.590	4.578	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC	408851978	OODPVQIGGBDPBA-NTEUORMPSA-N	388.826	4.822	50	40	GJGB	
CC(=O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1	1857794339	HNYBCECMDHHFAB-XMMPIXPASA-N	388.583	4.893	50	40	GJGB	
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(C(C)(C)C)cc2)N1	12416462	IFZGQHNTMHFNAC-UHFFFAOYSA-N	389.343	4.995	50	40	GJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OC	33634230	YXJRMLPQSZTYBV-KWZJRMENSA-N	390.911	4.882	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	59383024	HPQRSJVLYWTSEK-LPYMAVHISA-N	390.936	4.902	50	40	GJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc21	208200900	IRIMROLPDPQDIY-IZVPMIMASA-N	399.922	4.591	50	40	GJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408735269	PGCMOGDRRLVQCO-WUXMJOGZSA-N	377.227	4.556	50	40	GJGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cccc(Cl)c1	409128023	DMZCXICFYYLCJE-BUVRLJJBSA-N	379.891	4.830	50	40	GJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1	409371160	GOYCQYODZAGTSK-IBGZPJMESA-N	377.513	4.608	50	40	GJGB	
C=CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	3361655	LULQGHHQCLVYLB-QGOAFFKASA-N	395.418	4.922	50	40	GJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccccc3)c2C)c(C)c1	28216175	MUUGPBCWEBEXHR-ZVHZXABRSA-N	391.540	4.953	50	40	GJGB	
Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1	2286705	SNDRNMFYACFPKJ-YCRPNKLZSA-N	390.870	4.857	50	40	GJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-]	4175119	AKHOOVSPGDROOJ-ZSOIEALJSA-N	381.388	4.930	50	40	GJGB	
C/C(CC(=O)Nc1cccc(C)c1C)=N\NC(=O)c1ccc(Cl)cc1Cl	4690949	SBWCTWUEINVIIL-FSJBWODESA-N	392.286	4.745	50	40	GJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OC	5069778	HIVQIDXZHALIOV-MHWRWJLKSA-N	384.863	4.855	50	40	GJGB	
O=C(Nc1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1	6885483	PHHSRGDMZQVFJZ-KBPBESRZSA-N	383.083	4.525	50	40	GJGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1	32180696	RCWQHRIZCNYZRI-STZFKDTASA-N	386.426	4.628	50	40	GJGB	
Cc1ccc2oc(-c3ccc(Cl)c(N4C[C@H](C(=O)Cl)CC4=O)c3)nc2c1	45887300	PBVZDVNAWAWUBZ-GFCCVEGCSA-N	389.238	4.575	50	40	GJGB	
CN(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	59334597	PXCJFGZHOXPWOE-GDNBJRDFSA-N	398.293	4.992	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(OC)c3)cc2[C@@H](C)CC1(C)C	223573642	CSIAYNWUMYURHB-STPJHCLOSA-N	393.531	4.880	50	40	GJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2)c1C	408592532	YZVQBPOHVVCDDG-ZMOGYAJESA-N	395.890	4.828	50	40	GJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1	408963861	PTFFYLOQLZYMFS-BHGWPJFGSA-N	376.309	4.868	50	40	GJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1F)c1ccccc1	409245032	MKCSXDVAYQDGFT-LCJWNIEWSA-N	377.463	4.600	50	40	GJGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)NCCc1ccccc1	2413769	GLOSJTZBIIDLND-SAPNQHFASA-N	399.475	4.822	50	40	GJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(OCCC)c1	3307855	VZZZVYJAIGKKGE-LTGZKZEYSA-N	392.499	4.530	50	40	GJGB	
COc1ccc(/C=C(C#N)/C(O)=N/c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	4953786	QBGSRUAIKYCQJG-XYOKQWHBSA-N	391.305	4.817	50	40	GJGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C	223572973	GFQGVPASSSCWFA-GCMSVZMUSA-N	379.504	4.577	50	40	GJGB	
CCOc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cccc1OC	659650	LYAUODFLTMUOAJ-ZVHZXABRSA-N	388.423	4.757	50	40	GJGB	
CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2C)/C(=C/c2ccccc2C)C1	20458789	YDHPNPKFHUBKQU-WKDXJHLXSA-N	397.522	4.784	50	40	GJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1	59432890	YARBZRHOPJIOBD-HYARGMPZSA-N	393.446	4.991	50	40	GJGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408794306	IRLAHPKSCLFWTP-KPKJPENVSA-N	377.227	4.643	50	40	GJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	408805786	HOPYEMMNUYXDAE-LFIBNONCSA-N	384.863	4.992	50	40	GJGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC	408808318	FRUWBMSGCHIJIU-UUYOSTAYSA-N	386.835	4.648	50	40	GJGB	
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1	936795	VMSDETYALRAGBG-HYARGMPZSA-N	393.439	4.743	50	40	GJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1	947000	NGZIKVVEQLQPJA-GZTJUZNOSA-N	375.453	4.673	50	40	GJGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	3234636	BXZCYOHAWLVZBF-LFVJCYFKSA-N	382.504	4.692	50	40	GJGB	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc(Cl)c1OC	40139872	NMPVPVUFXITZAS-VGOFMYFVSA-N	380.831	4.937	50	40	GJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408954205	RVRXHKXIZAYIPN-PEZBUJJGSA-N	390.874	4.742	50	40	GJGB