smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3OC)CC(=O)N2)cc1	2327455	BGTFDYGRPWAPGC-QGZVFWFLSA-N	423.494	3.414	50	40	HGGB	
CCOC(=O)c1csc(-n2nc(-c3ccc(F)cc3)cc2NC(=O)CCl)n1	5243710	HRKWJZRBWMAEJA-UHFFFAOYSA-N	408.842	3.489	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)c(OC)c1	10118458	OCZYMQXZTQVZMS-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)cc1	58913831	UNEMBOWNQUXFQX-YDZHTSKRSA-N	419.441	3.400	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1C	7403741	SGUZODDILFCSAG-UHFFFAOYSA-N	400.456	3.099	50	40	HGGB	
C=CCNc1nc(C(=O)OCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)cs1	13095796	GBSTUCDGCCTKKR-SFQUDFHCSA-N	412.496	3.444	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)C2(C#N)C#N	20026762	JDVGBLCPXZGUGP-MJGOQNOKSA-N	419.460	3.486	50	40	HGGB	
O=C(NNC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccccn1	40060234	LXEPYZZZMMLOHS-UHFFFAOYSA-N	403.467	3.096	50	40	HGGB	
O=C(Nc1ccccc1C(F)(F)F)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	250193220	LSVHAPHLWTYENH-BOKPKCGUSA-N	404.182	3.215	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	409129749	MAJXPXMZXJVQGT-WSDLNYQXSA-N	412.377	3.081	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br	1096942	NMYSZOFOJASFDC-AWQFTUOYSA-N	417.215	3.423	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	1476133	SABLIEQWJABINZ-HXUWFJFHSA-N	414.421	3.331	50	40	HGGB	biogenic
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)cc1	1972898	NVRVOOWVYASCBM-LSFURLLWSA-N	400.891	3.141	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1	2315525	VAUXVKAMMYPUDU-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1	7604839	NLURWNAURXGXLF-UHFFFAOYSA-N	415.906	3.172	50	40	HGGB	
CNc1ccc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1[N+](=O)[O-]	9285086	VMRQFBXUVRYCQD-NUGSKGIGSA-N	420.351	3.155	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC	14134651	IRIQTDKUWRFEFJ-MBTVCVBTSA-N	407.264	3.040	50	40	HGGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1	408706759	DFSUWYHLRQHRBK-FOKLQQMPSA-N	423.300	3.258	50	40	HGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(SC)cc3)CC2)cc1	409007421	WKAQHEXSRBTVOU-HZHRSRAPSA-N	411.527	3.420	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(C(=O)O)cc1	1092651	SYIFBHZJHBQOHS-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NC1CCCC1	2439400	AQLTZZQKANQOBS-JQIJEIRASA-N	400.438	3.453	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12	3352706	PFJSWESSJYVJSJ-UFFVCSGVSA-N	402.248	3.468	50	40	HGGB	
O=C(CCC(=O)NNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1	4549720	QLHRBEYNPZZCIP-UHFFFAOYSA-N	415.902	3.412	50	40	HGGB	
Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc12	50124350	FJYWFBAPOPEALJ-GFCCVEGCSA-N	415.446	3.026	50	40	HGGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1cccc([N+](=O)[O-])c1	100149338	WUEHCCAHEPSYDN-CPNJWEJPSA-N	415.409	3.289	50	40	HGGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)O	100509620	NNEISHOSUXHQKQ-NSIKDUERSA-N	402.410	3.167	50	40	HGGB	
COc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)cc(OC)c1OC	59922390	OSWBYWPVLFVLJS-YDZHTSKRSA-N	423.425	3.322	50	40	HGGB	
Nc1nnc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)s1	1288722	QAJZMJOSYVKICA-UFFVCSGVSA-N	401.879	3.046	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(C)=O	5539934	RXXQCXSPXCQJQF-LSHDLFTRSA-N	404.850	3.420	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccccc1C#N	409233299	USEWBTGRBHAPAY-APSNUPSMSA-N	424.844	3.291	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	5208519	OJPXTOUVBUODPX-LPYMAVHISA-N	413.434	3.046	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	3145470	GQPFAEQGCHLCIX-GOSISDBHSA-N	406.394	3.037	50	40	HGGB	
O=C(N/N=C/c1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3285614	JEHKJGBCXKPTCD-LPYMAVHISA-N	414.874	3.300	50	40	HGGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)cc1	4416578	KYKROXBDGHNGPR-AFUMVMLFSA-N	414.893	3.040	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccccc1Br	6928553	WDRIOYKWPFCYTP-UHFFFAOYSA-N	416.341	3.042	50	40	HGGB	
COc1ccc(/C(C)=N\NC(=O)c2cccc(I)c2)c(OC)c1	11565609	NVDCLPBLBJOXLE-ODLFYWEKSA-N	424.238	3.462	50	40	HGGB	
CCc1c(C(=O)NNc2ccccc2C(F)(F)F)cnn1-c1ccc(OC)nn1	40070149	BDRBVMHDTYJXBB-UHFFFAOYSA-N	406.368	3.009	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(Br)cc1O	408544937	WEMQGBMCKKHECA-XGICHPGQSA-N	417.215	3.407	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)o2)cc1	409231021	AVYJEBIEVNNYQN-SSDVNMTOSA-N	424.482	3.382	50	40	HGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(OC)c1	5408744	JJXPZGCQCXOOKM-QGZVFWFLSA-N	404.426	3.321	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	6924297	DHUMJAORZXZPQT-UHFFFAOYSA-N	403.438	3.087	50	40	HGGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(C)cc3)c2)cc1	8372168	AOQXLBFTHPEOAB-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)c1	20210029	NOVLUHNMJUOPPZ-UHFFFAOYSA-N	409.552	3.170	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	26780226	WEVVZNBAZDEZHR-UHFFFAOYSA-N	419.246	3.225	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1	59435817	HYBKDEZYUDBUSW-UDWIEESQSA-N	402.248	3.103	50	40	HGGB	
COC(=O)c1ccc(Cl)cc1N/C=C(/C#N)S(=O)(=O)c1ccc(OC)cc1	102737549	DQKZJMBJAZPHES-PTNGSMBKSA-N	406.847	3.386	50	40	HGGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)Nc1ccccc1	408857775	WNGSVGKTDRYJHU-SSZFMOIBSA-N	414.421	3.080	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1OC	409007533	XQEFDADCDJUWNX-KOEQRZSOSA-N	421.497	3.263	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1C	1093763	ZUQORRSALUTKFR-AFUMVMLFSA-N	402.454	3.480	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccco3)c2)cc1	5163406	KXJUIWBEHYMGDI-KGENOOAVSA-N	413.455	3.243	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)Cc2ccc(OC)cc2)ccc1OCC(C)C	14244401	NCKHKYGGHXZNKV-UHFFFAOYSA-N	400.475	3.132	50	40	HGGB	
O=C(CCCCCNC(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Cl)cc21	16701340	SSLOBZGJRCXGDT-UHFFFAOYSA-N	412.877	3.103	50	40	HGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	17193959	KANKOBWXDATMPS-BKUYFWCQSA-N	402.498	3.451	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1OC	33959163	AAASVOBVTKMTLD-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(OC)c2)c(OC)c1	408870671	UGOSAJKCINVCIJ-MKMNVTDBSA-N	402.834	3.295	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1[N+](=O)[O-]	4822332	CWMSNBRXSNPMCP-LJQANCHMSA-N	403.398	3.316	50	40	HGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4nc(-c5ccccc5)cs4)[C@@H]13)[C@H]2Br	103589789	DQQARWQWHGCCLZ-DKJTXKKOSA-N	419.300	3.320	50	40	HGGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(I)c1)OCO3	85408855	VNKXVODXGZPQMS-INIZCTEOSA-N	418.190	3.238	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	409269505	JWWKVMPSHOAFIJ-LSPPGFKNSA-N	407.470	3.153	50	40	HGGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])c2c1	409013674	COCXALHEDDDGOK-UUYOSTAYSA-N	409.398	3.294	50	40	HGGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1	575425813	XHNGUIBOBCSFLA-PWSUYJOCSA-N	422.384	3.154	50	40	HGGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2nc1Cl	4169218	FRIRJPRZQAIJHG-QGZVFWFLSA-N	413.861	3.468	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@H]([n+]2ccccc2)[C@](O)(C2CC2)N1	409415800	TULILSRMXDGPNB-ACIOBRDBSA-N	416.892	3.130	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1	409001392	ICSWMKXSFMPUGI-LPYMAVHISA-N	404.382	3.317	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c([N+](=O)[O-])cc1OC	409391872	LXUMKVLDCJXPII-FSJBWODESA-N	408.414	3.327	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O[C@@H](C)C(=O)O	409229880	ASCCZLVRRCWJJN-MOSLJXCSSA-N	410.348	3.330	50	40	HGGB	
C[C@]12[C@@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42	169559526	YYOJUCRKMCIPST-CBYYQGFVSA-N	412.052	3.371	50	40	HGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(Cl)ncc2cc(OC)c(OC)cc12	891998	FLDMQVDAIFZDIP-MRXNPFEDSA-N	415.833	3.160	50	40	HGGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1	1265945	WBKWAYZGBGAUBX-BEFAXECRSA-N	409.511	3.276	50	40	HGGB	
O=C(NNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1)NC1CCCCC1	4927543	NQYVPFCWJCPFKY-UHFFFAOYSA-N	401.511	3.418	50	40	HGGB	
COc1ccc(C(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	6013682	QWHDMPYVOGEUNX-BQYQJAHWSA-N	402.266	3.235	50	40	HGGB	
Cc1nnc(NC(=O)CCC(=O)O[C@@H](CCCl)C(=O)c2ccc(F)cc2)s1	8474414	HMRAPNJVAKFQJP-ZDUSSCGKSA-N	413.858	3.128	50	40	HGGB	
C=C(C)COc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20029225	OATVYIUNYKICEM-DENIHFKCSA-N	415.497	3.005	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1cccc(Br)c1	58913891	HYZWMDDWYAVXGV-NHDPSOOVSA-N	419.323	3.221	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OCC	59305745	UHSMAFNRAZZBNT-UNOMPAQXSA-N	408.454	3.251	50	40	HGGB	
O=S(=O)(C[C@H](Br)CBr)c1ccc(Br)cc1	101053237	FDLHYQLUHVFYLN-MRVPVSSYSA-N	420.948	3.381	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O	409222794	CWUAQECTWSLBJL-WUXMJOGZSA-N	420.252	3.412	50	40	HGGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@H](C)C(=O)O)c1	409229616	RXGPUOVQINXLKE-VQCBNXJZSA-N	410.426	3.491	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	2794947	HXNSBLADLFUKTH-PCLIKHOPSA-N	420.465	3.099	50	40	HGGB	
Cc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(O)n2c(nc3ccccc32)c1C#N	17371680	LKYZDWDPXHERRL-FOKLQQMPSA-N	414.381	3.045	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1	408709065	WVPLBRKKNCSTPI-AWQFTUOYSA-N	409.671	3.042	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1C	408971148	MXSHWUJUAJCWQA-OEBVFIGYSA-N	411.502	3.064	50	40	HGGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409188125	AWYIQKZBZOMWAI-ZROIWOOFSA-N	403.276	3.435	50	40	HGGB	
COC(C)(C)[C@@H](Br)C(=O)OCC(=O)c1ccc(Br)cc1	5452557	ASALFFDRHFDVCX-LBPRGKRZSA-N	408.086	3.364	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2Br)ccc1OC(F)F	17358479	VQRGTTIVYPXPGW-UHFFFAOYSA-N	415.190	3.134	50	40	HGGB	
C[C@H](Cl)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	39742980	GFTNMEQUHDCLPF-JTQLQIEISA-N	415.793	3.463	50	40	HGGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1	408834847	XAOJVXYGLZDXNS-SSZFMOIBSA-N	407.451	3.304	50	40	HGGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2C)c1	408965004	FILIIVVMUVTFGC-MOSHPQCFSA-N	407.470	3.037	50	40	HGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1	409140396	DHUPRDOHKRVEDJ-OAQYLSRUSA-N	405.498	3.081	50	40	HGGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(\C#N)C(=O)N3CCCC3)cc2)cc1	409367969	KMBHNZVIDUXEEJ-XSFVSMFZSA-N	417.465	3.320	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1cccc(C)c1	1093765	NWOADKCZLFJIGX-AFUMVMLFSA-N	418.453	3.180	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	1098363	ZAGAXAZJXRKWQD-ZVHZXABRSA-N	414.377	3.450	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O	2399106	HXYOJVDYEKIYPR-AWQFTUOYSA-N	407.264	3.309	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1	4453444	TYZOVZFAIFWAMM-MJGOQNOKSA-N	419.460	3.486	50	40	HGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2I)cc1C	6613870	KCIQWUDNPQWUPT-KEBDBYFISA-N	407.255	3.470	50	40	HGGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(OCC(=O)N(C)C)cc1	7949741	WGKVYGFGMCKPFE-BUVRLJJBSA-N	405.454	3.166	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1	9381759	KGAWLYKFYPYUBB-UHFFFAOYSA-N	422.507	3.223	50	40	HGGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)C[C@H]1Sc2ccccc2NC1=O	14251708	OCTUPCOSFUXZJK-OAHLLOKOSA-N	421.931	3.083	50	40	HGGB	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12	45010912	MUZZPQLZZOLCQV-UHFFFAOYSA-N	418.840	3.263	50	40	HGGB	
Cc1nc2ccccn2c1P(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12	102133396	JOKDXCUTOFAFDH-UHFFFAOYSA-N	424.448	3.313	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	408599851	MRVZMMNTOFCYMV-HZHRSRAPSA-N	410.474	3.493	50	40	HGGB	
Cc1cccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)c1	409061417	XADRNXFYCWMCBB-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CC(C)N1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc21	5690197	ALKSEKBIXJOHLX-MEQARESCSA-N	421.497	3.399	50	40	HGGB	
C[C@@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	9062380	QRYMNHAAWLJTFP-SNVBAGLBSA-N	415.793	3.463	50	40	HGGB	
Nc1ccccc1C(=O)N/N=C\c1cc(Br)cc(Br)c1O	32138796	XCWPRNVXWQYQCI-WSVATBPTSA-N	413.069	3.263	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)CNc2ccccc2)cc1OC	44395890	YGMGZIZWXMPYMV-SRZZPIQSSA-N	406.280	3.419	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1O	58886415	LQZPGDZBLRQWAP-BBJIBYMTSA-N	407.264	3.127	50	40	HGGB	
CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(Cl)cc1Cl	96519286	CFLIIXCMRJYUSK-UWVGGRQHSA-N	409.072	3.223	50	40	HGGB	
C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118912397	YZPBDMRZRBJWSE-OTMBXSBISA-N	406.611	3.383	50	40	HGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408609775	LJXAYOLOCNVMJN-WYMPLXKRSA-N	411.845	3.279	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)cc1	409040822	YSWLXYNPCPPXKC-DTQAZKPQSA-N	416.433	3.389	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OCC	4589409	HZCCYMUVJWAZGF-XSFVSMFZSA-N	422.481	3.293	50	40	HGGB	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(Br)c1	5927111	YYGJYNRSUDCMKG-UHFFFAOYSA-N	411.683	3.180	50	40	HGGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@H]3COc4ccccc4O3)cc2)cc1	12900179	RSYBHPMGYJTQRC-OAQYLSRUSA-N	424.478	3.111	50	40	HGGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	28630137	NMYSZOFOJASFDC-UKWGHVSLSA-N	417.215	3.423	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OCc1ccncc1	40068921	KXNXLTNHFLUGOY-UHFFFAOYSA-N	409.417	3.273	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	245377496	LPWHFFOAXYBDJY-KJKVDNPUSA-N	413.109	3.277	50	40	HGGB	
CCCCCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408707562	KNSCFVPOYAZIJM-ZVHZXABRSA-N	410.474	3.193	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)ccc1OCc1ccccc1	408718203	AMZKMIRIJPWCFC-LFVJCYFKSA-N	409.486	3.127	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(Cl)c2)C(C)C)cc1	408759301	BTWDKAZEFOBCRT-AGKWGAAGSA-N	407.923	3.102	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)cc1C	408830848	TUXJBCOYQGOBKT-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409359213	AFJXKWKTRPAJQV-LPYMAVHISA-N	407.382	3.319	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1	4277948	KKSZJCUSQNKEOR-GHRIWEEISA-N	408.458	3.001	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)cc1	13689134	NMRJCQGVFDZWPW-JZJYNLBNSA-N	407.451	3.317	50	40	HGGB	
O=C(CCCO)N/N=C1\C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21	15225548	VAJLZEUCUSCUFI-VYIQYICTSA-N	413.477	3.416	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1OC	16136769	KTZNSEMSEZCPBA-FOKLQQMPSA-N	424.284	3.167	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1	19869136	KAJCWJLKZXVGJH-BOXRWZARSA-N	401.466	3.218	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)cc1	20764865	PAZOTODGIWCEBG-SSDVNMTOSA-N	420.849	3.365	50	40	HGGB	
CC(C)[C@@H](Br)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	408526549	BLPBYYFNERJYIH-QGZVFWFLSA-N	423.355	3.225	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	4719395	LPWHFFOAXYBDJY-WHCZJHEKSA-N	413.109	3.277	50	40	HGGB	
O=C(N/N=C/c1cccc(O)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	7006748	MSURZFSEXZOXQC-XDHOZWIPSA-N	401.469	3.018	50	40	HGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccncc2)c1	9285174	IJNNRSHALBTUTK-HZHRSRAPSA-N	424.482	3.045	50	40	HGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C3/N=C(N)c4ccccc43)cc12	15910734	ZQGUPCWZIIYQID-UHFFFAOYSA-N	400.467	3.206	50	40	HGGB	
CCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	38344172	GZNKKDWMESTVIL-KSEXSDGBSA-N	409.364	3.202	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c1	408780423	YDNFJWAEDRODQH-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
CCCCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1	409168192	LAZOXFWYNDRWEC-BEXDPUPVSA-N	409.486	3.377	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)cc1	6199419	YYZBFQAFSYBSOG-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1F	36635929	QUIJVNZQWMEKLV-ISPGYRLHSA-N	411.458	3.007	50	40	HGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OC)cc2)s1	408728964	ABADGPRLSGFYQS-DEDYPNTBSA-N	403.508	3.148	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)O	408749638	RPQUFMMKTWKWEF-OEAKJJBVSA-N	407.426	3.103	50	40	HGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(C)cc2)cc1	408910243	JBYJWIAOOIIAJO-UHFFFAOYSA-N	415.515	3.245	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1O[C@@H](C)C(=O)O	409009413	FLSVJVPQGJQXBS-RQSOKRQSSA-N	424.375	3.259	50	40	HGGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cccs1	4513504	WLGCGFJHZOQLLD-GIJQJNRQSA-N	411.277	3.216	50	40	HGGB	
COc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	4670603	KXRRWCMDVAKWHT-UHFFFAOYSA-N	409.552	3.170	50	40	HGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccc(Cl)cc3Cl)nc12	9292260	GFUSEZUSQBSRRW-YRNVUSSQSA-N	415.236	3.494	50	40	HGGB	
O=C(CCn1c(Cc2ccccc2)nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21	28297154	HFLCXRGFUMFNDI-UHFFFAOYSA-N	423.476	3.490	50	40	HGGB	
Cc1ccc(SCCC(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1	37399329	QXKWFSGWWVVSSX-FXBPSFAMSA-N	406.504	3.314	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1	408712076	YLDLKUWZGKCLRB-LICLKQGHSA-N	409.183	3.353	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)NCc1cccnc1	408802693	GDPYUFIVUMTUKG-DEDYPNTBSA-N	418.497	3.133	50	40	HGGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408941048	JMAGFZXXVJCTAS-YBEGLDIGSA-N	413.861	3.212	50	40	HGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1	409013178	LZBWUAQIOXSJHC-OYKKKHCWSA-N	403.438	3.482	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1	704533	BPQIAABACRNFPU-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
COc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc(OC)c1OC	707544	YMBPMDHJQWMTPR-QMTHXVAHSA-N	417.289	3.065	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccnc3)c2)cc1C	1093759	CDHCMKMLBTWKNB-DHRITJCHSA-N	402.454	3.480	50	40	HGGB	
COC(=O)C(=C[C@@H](Br)[C@@H](Br)c1ccccc1)C(=O)OC	1716642	IYKXVSGKMJGACF-NEPJUHHUSA-N	406.070	3.159	50	40	HGGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1O	408861442	AMIKDHPBKOXLAI-XLWYYFMFSA-N	420.219	3.235	50	40	HGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408927341	ZMHOVYQFEHLLJS-NIZGNDASSA-N	417.531	3.026	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O	408972461	CEXLQYIRQOOQNA-OEAKJJBVSA-N	405.410	3.282	50	40	HGGB	
CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	409008969	PKTOCRSDKUPDDQ-AWQFTUOYSA-N	408.227	3.076	50	40	HGGB	
Cn1c(CC(=O)NNC(=O)c2cccc(OCc3ccccc3)c2)nc2ccccc21	5267580	HPXIHIZSVNVOJP-UHFFFAOYSA-N	414.465	3.156	50	40	HGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	100522631	KHHMXOKMLJWHIC-WSDLNYQXSA-N	418.837	3.069	50	40	HGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccco3)cc2)S(C)(=O)=O)cc1	409026874	CMAUJGJOTOHUPD-HYARGMPZSA-N	411.483	3.318	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(SC#N)c2)cc1	409049169	VFWZBNJSNUSJBO-AUWJEWJLSA-N	409.423	3.306	50	40	HGGB	
N#C/C(=C/c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	33764449	DTCRHTFOIFNSPA-QINSGFPZSA-N	401.513	3.468	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)S(C)(=O)=O	408906582	HWFFMMLQUIMAHS-DQAKUKQTSA-N	414.314	3.298	50	40	HGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408968865	ZUTHXTDYXLEQMV-SSDVNMTOSA-N	400.207	3.236	50	40	HGGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(N2CCOCC2)c(F)c1	409137868	YKLPCBBMAFNMSR-MYYYXRDXSA-N	407.445	3.345	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1	585129570	MOMBKSTZPCSBQK-ZITCTASDSA-N	423.494	3.019	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1O	943547	WTMQOSMACKIZTC-HMASQMOLSA-N	407.264	3.389	50	40	HGGB	
Cc1ccc(Cn2nc(C)c(/C=N/NC(=O)Cn3ccc(C(F)(F)F)n3)c2C)cc1	7737347	BZODVIISTDJZGZ-YSURURNPSA-N	418.423	3.222	50	40	HGGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	9201988	NUKVHKWYIUGXRJ-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
COc1cc(C(=O)NNC(=O)NCCc2ccc(F)cc2)ccc1OCCC(C)C	12751363	YRDRUXSLHNWFEJ-UHFFFAOYSA-N	417.481	3.446	50	40	HGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	15231357	WIEUBMAJZDKFJK-WSDLNYQXSA-N	404.898	3.075	50	40	HGGB	
O=C1/C(=C/Cc2ccccc2)SC2=[N+]1C[C@H](CI)S2	33374170	VRXLRXCJCGVXLN-ZWIPKHHJSA-N	402.302	3.305	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1	408925192	NLDXYCPPGASOEW-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC	850213	UKTFMPQSNSFGKD-QGZVFWFLSA-N	406.394	3.037	50	40	HGGB	biogenic,in-vitro
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C)o2)c1	5557802	ADRMEMUXRDSVNY-FYJGNVAPSA-N	413.455	3.161	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)NC2CC2)c2ccccc12)C(=O)NCc1cccs1	6644404	IVWSJYKLTPGRET-XNTDXEJSSA-N	404.495	3.205	50	40	HGGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	6790703	SOTZRLPHVPPXKO-INIZCTEOSA-N	420.465	3.426	50	40	HGGB	
O=C(NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(Cl)nc1	9882948	XDQHUIOFEHYQNZ-UHFFFAOYSA-N	418.844	3.058	50	40	HGGB	
Cc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)ccc2=O)cc1	23136175	MYHAYRHFMQSMPI-UHFFFAOYSA-N	410.861	3.325	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1O	36384364	XIGZNEDBFOLPRL-SRZZPIQSSA-N	410.386	3.426	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1	40080030	BBWSFLXQWZWCPL-HNNXBMFYSA-N	408.289	3.148	50	40	HGGB	
COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@H]1C(=O)OC)[C@H]1[C@H](C(Cl)(Cl)Cl)[C@H](Cl)[C@H]21	103734858	ZHFQQVKDSXTXHT-TYMLGRTHSA-N	402.101	3.220	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OC	408752693	GBVMWOQENXLPFO-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCc1cccc(C(=O)O)c1	408857863	NCHJNBXAMGHJFY-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
CCCOC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	5585105	HPPXOFJGKHBUTD-QUCCMNQESA-N	415.559	3.041	50	40	HGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccccc1Br	12805251	SMNNGIVISRQADQ-UHFFFAOYSA-N	419.300	3.155	50	40	HGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	17360277	RZLNUMPRVIUZRP-UHFFFAOYSA-N	401.419	3.334	50	40	HGGB	
CCOC(=O)/C(=C/NNC(=O)Cc1ccccc1C(F)(F)F)C(=O)c1ccccc1	408894514	QXKDCLOBNZXVBL-DTQAZKPQSA-N	420.387	3.199	50	40	HGGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)c1	409224595	MQLYKRDHFKSIME-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(I)c1O	2773588	CEZPASKISFYUSS-RQZCQDPDSA-N	411.199	3.161	50	40	HGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5394882	SPQVCSGKRLTHHV-LSHDLFTRSA-N	408.370	3.146	50	40	HGGB	
CCCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(CC)cc2)cc1OC	8108502	XJHAJDCQBGVSBX-UHFFFAOYSA-N	406.504	3.060	50	40	HGGB	
Cc1cc(C(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)[nH]n1	9668300	SFGIKNSBXITYSK-VXLYETTFSA-N	410.346	3.091	50	40	HGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1	16034620	RGZDXTUNHSKQNB-IEBWSBKVSA-N	422.876	3.384	50	40	HGGB	
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NNC(=O)c1cn(C)c2ccccc12	32802111	DTWZPIPIJDAFSW-UHFFFAOYSA-N	416.485	3.125	50	40	HGGB	
O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914465	BHSAYPASFOQSIE-MYKKPKGFSA-N	417.252	3.415	50	40	HGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408708365	PNFQKANNNMQFFQ-UFFVCSGVSA-N	421.270	3.307	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O	409200263	KHFAURDAOHDIDI-ZVBGSRNCSA-N	411.241	3.158	50	40	HGGB	
O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1ccccc1	1063975	AQRHEGJQRHHKNU-UHFFFAOYSA-N	423.064	3.298	50	40	HGGB	
Cc1cc(NCC(=O)N/N=C/c2ccc(F)cc2)ccc1I	1081888	CFQHXAKTEDLJOY-AWQFTUOYSA-N	411.218	3.301	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccccc1F)C(=O)N/N=C/c1ccccc1F	1687592	DQLPMDPXSAKUBD-CYKDIAAXSA-N	418.469	3.075	50	40	HGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Br)c(C)c1	4671898	XBSWSJCBORAIIY-UHFFFAOYSA-N	418.291	3.246	50	40	HGGB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)no1	4865475	LSSSICOOGCPQDX-FOWTUZBSSA-N	408.439	3.330	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(O)c4)CC(=O)N32)cc1OC	12275195	LCURLRLVMSYLHJ-AOMKIAJQSA-N	424.478	3.053	50	40	HGGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=c2/c(=O)c3cccc4cccc2c43)c1Cl	13102347	UFNFKFNLBGFQDM-ZVHZXABRSA-N	419.655	3.412	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)C(C)C)cc1	408765312	LCFYHFIVIDARHS-IUOVYFEOSA-N	407.923	3.102	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408969996	YIYIVTITAGCSHF-LSCMLXDISA-N	411.502	3.064	50	40	HGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1C	637270	XLSJQACVNIUFGQ-LPYMAVHISA-N	415.446	3.402	50	40	HGGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1	59248825	FGCKPDJCORAPQX-UKWGHVSLSA-N	408.863	3.054	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	58882765	JWTBRNBLNPHGAR-XYGWBWBKSA-N	417.465	3.406	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccncc2)cc1COc1ccc(NC(C)=O)cc1	2295402	RLTWKIYZXUSXFC-AFUMVMLFSA-N	418.453	3.392	50	40	HGGB	
CCCCCn1nc(C(=O)NNC(=O)NCc2ccc(C)cc2)c2ccccc2c1=O	12763724	KMLSGTBOEXUQST-UHFFFAOYSA-N	421.501	3.039	50	40	HGGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1	13425321	BGCJADWCKTUSOX-YBEGLDIGSA-N	405.454	3.460	50	40	HGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(Br)cc1	13595321	VJBYYVYUJVIXOK-NDENLUEZSA-N	416.231	3.062	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1	4354963	CMMYOEISGOFTIF-QZTJIDSGSA-N	407.861	3.222	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	1476191	JXPZUVSBTOZXJT-IBGZPJMESA-N	404.857	3.472	50	40	HGGB	
O=C(O)[C@H](Br)[C@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1	1739508	HUXSUVLDQQTVKW-JGVFFNPUSA-N	418.991	3.256	50	40	HGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccco2)C(C#N)=C(N)O3)cc1OC	2356743	XJZQFYKGMINNEO-FQEVSTJZSA-N	419.437	3.033	50	40	HGGB	
O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccccc1O	10060148	NVYDIMREPDVOTD-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1cccc(Br)c1	15225769	FJCHMCJHSVUNCL-JYRVWZFOSA-N	401.216	3.458	50	40	HGGB	
CC(C)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	15229865	QGUPQYBIADAHJK-UHFFFAOYSA-N	407.923	3.085	50	40	HGGB	
CC/C(=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1	20130341	JQHYGXNQBPIKHQ-FLFQWRMESA-N	414.937	3.094	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)O	408816060	SIGWFUKVCUUYNI-NKVSQWTQSA-N	402.790	3.322	50	40	HGGB	
C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409124951	CNSOILIMXLZULD-GOSISDBHSA-N	412.287	3.191	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409132445	ZWCBAOOZSHBPBN-MOPGFXCFSA-N	408.479	3.237	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	2204206	NSPJTBPMJOWBTE-MRXNPFEDSA-N	405.376	3.040	50	40	HGGB	
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1ccc(Cl)cc1	2628907	GBGOUHYJSBIOTM-UHFFFAOYSA-N	408.841	3.411	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	3109830	QWWWKDYAPCPSKF-CJLVFECKSA-N	415.515	3.024	50	40	HGGB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl	5735942	FCSHDIVRCWTZOX-UAADTNEKSA-N	410.913	3.142	50	40	HGGB	
CCCCCC[C@H](C)NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	199413555	ACUGATXYBXHATA-KRWDZBQOSA-N	400.523	3.044	50	40	HGGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)c1	408591248	SHSHBCDEDYQSKC-BHSKHCGUSA-N	419.481	3.455	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408607528	SWRLOOYMHYSWFD-SFHVURJKSA-N	411.531	3.481	50	40	HGGB	
O=C(N/N=C/c1cccnc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409006122	MHMJDJITDKDYLY-FSJBWODESA-N	405.285	3.391	50	40	HGGB	
Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	9630654	VUSNENKQSBLDLE-XYOKQWHBSA-N	412.456	3.482	50	40	HGGB	
O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1coc2ccccc2c1=O	3329541	OOWQSEHADHTSHE-UHFFFAOYSA-N	407.373	3.443	50	40	HGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1[N+](=O)[O-]	4117049	OBQKCTQTFNYJCM-YDZHTSKRSA-N	400.394	3.213	50	40	HGGB	
O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCCO3)c1ccc([N+](=O)[O-])cc1	2224356	AYAGFJJDOCUYBC-UFFVCSGVSA-N	412.789	3.332	50	40	HGGB	
C/C(C[C@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)COc1cc(C(C)C)ccc1C	5342671	LAULLVXWHDZWSQ-DZQSVEARSA-N	409.486	3.219	50	40	HGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccccc1Cl	4501968	CYAYPJASOFMHPJ-CAOOACKPSA-N	400.603	3.414	50	40	HGGB	
COc1ccc(CCC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1Br	30600074	AHJZKVBYLWNPSN-UHFFFAOYSA-N	416.275	3.333	50	40	HGGB	
CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)c1	8733222	FPYKAPWLLQFKDC-HNNXBMFYSA-N	413.312	3.118	50	40	HGGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc[nH]c1=O	12904075	WGQPFDLJAWTGOM-UHFFFAOYSA-N	418.840	3.318	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	59459735	KERKXLNYNGLOOV-HYARGMPZSA-N	404.382	3.476	50	40	HGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408791839	DGCGTGFNBVILMU-QGOAFFKASA-N	404.422	3.430	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1	408867993	NAXMUSAELCKTNO-RGVLZGJSSA-N	406.280	3.053	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1cccc(Cl)c1	2394231	BFYLBGJAPYVRSV-KEBDBYFISA-N	401.879	3.084	50	40	HGGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)NC(C)C)ccc21	4713267	CWSJBYOLIVRBDP-CVKSISIWSA-N	421.501	3.160	50	40	HGGB	
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)CCC1CCCCC1	5721558	GNPYTIXAPOPLHE-KZZKVKKMSA-N	403.567	3.215	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)c1	9480680	UFDIZLIZMPPEFA-ZVHZXABRSA-N	422.437	3.443	50	40	HGGB	
CN(C)c1oc(/C=N/NC(=O)COc2cccc3cccnc23)cc1Br	59105270	SWKNWEQSLNPOAQ-UFFVCSGVSA-N	417.263	3.185	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	408921305	FZRFBPIERDIFLM-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OCC	409357738	KBGPMZSSJGNXSN-SSDVNMTOSA-N	400.818	3.243	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	3088673	BLVRZTCNRGXQQF-UFFVCSGVSA-N	410.257	3.490	50	40	HGGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	6323805	DUKCIGAUNILRCB-QGZVFWFLSA-N	401.532	3.416	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	8371677	ZOLXVCJYYPCRKM-UGVMZYNRSA-N	400.276	3.261	50	40	HGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(N2CCOCC2)c(F)c1	9204961	WWHZKKPANODDED-LPYMAVHISA-N	420.282	3.118	50	40	HGGB	
Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1	12859562	JCFULJWYELWLBT-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	408934359	CDZYAHQQQPZDCC-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3cccnc3)c2C)cc1Cl	408971861	MMPPLEBHPMHQNY-LGJNPRDNSA-N	423.904	3.217	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12	409009916	AMOYCONKPASNTR-HZHRSRAPSA-N	404.426	3.349	50	40	HGGB	
C#CCN1C(=O)/C(=N/NC(=O)COc2ccccc2-c2ccccc2)c2ccccc21	18102113	QABNSGIRIPMPCE-SOYKGTTHSA-N	409.445	3.233	50	40	HGGB	
NNC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1	226326841	WRNUFIAMQDTIRX-UHFFFAOYSA-N	400.070	3.394	50	40	HGGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCCCC2	2424400	JPIJGZOBWCOGBV-RGVLZGJSSA-N	419.528	3.344	50	40	HGGB	
O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccccc1OCc1ccccc1	3669142	SWTJXXFYBYTQAP-UHFFFAOYSA-N	414.417	3.447	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	5515141	LPMHBXHEGCJNCW-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2cccc(Br)c2)c1	8349119	DXFXRDDUFZKHRM-VOTSOKGWSA-N	403.276	3.306	50	40	HGGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1sccc1-n1cccc1	8667037	HMMGUQYMUHDWKR-UHFFFAOYSA-N	416.311	3.469	50	40	HGGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	59419208	HFYAJKIZRLOXND-QGMBQPNBSA-N	412.627	3.409	50	40	HGGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1	1265948	WBKWAYZGBGAUBX-HNAYVOBHSA-N	409.511	3.276	50	40	HGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1	3350113	YLVODMIJWRTQSX-LPYMAVHISA-N	405.495	3.040	50	40	HGGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1Br	3663516	BUFNAPWMWDQPHW-CNRHGSOZSA-N	401.260	3.379	50	40	HGGB	
COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)cc1	6736474	WNWPUQFVSSTRCZ-SDNWHVSQSA-N	405.479	3.197	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1Cl	7881778	IHDDHUHBOWKUQU-ZDUSSCGKSA-N	406.269	3.116	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(C)cc1C	11690303	OSLRNNZFCKATAJ-SXKRPYPPSA-N	421.522	3.484	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(F)cccc1Cl	12857133	DFELJERLJOBQFE-INIZCTEOSA-N	420.824	3.223	50	40	HGGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2	14134526	HPJVIWCNSLZHKM-SRZZPIQSSA-N	417.259	3.435	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1cccc(Cl)c1Cl	28216609	QGYPCXFIOWCTNP-SSDVNMTOSA-N	409.317	3.183	50	40	HGGB	
Cc1ccccc1C(=O)NNC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1	40144688	PIAHIAQVABSECB-UHFFFAOYSA-N	408.479	3.044	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1O[C@H](C)C(=O)O	409020690	SBTKANLOZZLFHY-JZOCJUILSA-N	421.247	3.074	50	40	HGGB	
Cc1c(C(=O)N/N=C\c2cc#cc3ccccc23)nn(-c2ccc(F)cc2)c(=O)c1C#N	409058330	XHENUXDJYFULMH-VYYCAZPPSA-N	423.407	3.069	50	40	HGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1cccc(C(=O)O)c1	409094048	CMTVXWVREFOVFJ-CIAFOILYSA-N	424.438	3.326	50	40	HGGB	
COc1ccc([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	808902	JKQGNOSEFIWBII-GGAORHGYSA-N	423.476	3.120	50	40	HGGB	
Cc1sc2ncn(CC(=O)N/N=C/c3c(O)ccc4ccccc34)c(=O)c2c1C	1784089	QBNCWNQGVILTFJ-NUGSKGIGSA-N	406.467	3.084	50	40	HGGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)c1	8951569	BSWKTRQQHWORLN-GOSISDBHSA-N	418.409	3.041	50	40	HGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1	59433294	QCNNHRQFJGZRQG-CIAFOILYSA-N	424.369	3.464	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1	408707667	LNTXAWXNWFIKGY-YDZHTSKRSA-N	400.866	3.235	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	408728541	OIJKOVFABQQSII-RGVLZGJSSA-N	407.264	3.168	50	40	HGGB	
N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)Nc1ccc(O)cc1	409224053	KARNNMZBISEVCY-VZUCSPMQSA-N	406.225	3.109	50	40	HGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1[C@H](C(=O)OC)CC2	4860526	ORZRKPHIBQSETJ-QLKUMGTLSA-N	410.451	3.283	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(F)c(N3CCCC3)cc2C)n1	6626228	VETTZEXLPSBHNG-SSDVNMTOSA-N	401.511	3.384	50	40	HGGB	
C/C(=N\NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1O	28218219	AYXDNKZLCFUVHY-WGOQTCKBSA-N	412.449	3.304	50	40	HGGB	
C[C@H](C(=O)N/N=C\c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O	31857543	UZIMVZPPCRAXGC-MKCIMWKDSA-N	412.449	3.480	50	40	HGGB	
CC(C)NC(=C(C#N)C#N)[C@@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N	78547381	JHTOBOLMISIACT-QFBILLFUSA-N	405.259	3.389	50	40	HGGB	
Cc1sc2ncn(CC(=O)N/N=C\c3ccc(O)cc3)c(=O)c2c1-c1ccccc1	101087989	CZTUDFQHUYBCBO-MYKKPKGFSA-N	418.478	3.289	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408601243	AOJXLFLDVYPMNU-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2ccccc2)cc1	408778112	BDYOFBBVHZOKSY-HZHRSRAPSA-N	423.494	3.046	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(O)c1	409391000	GQFRPUVBCRTYPC-SRZZPIQSSA-N	411.370	3.342	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	5543960	UYKJHUHOHHFLCJ-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2cc(Br)ccc21	5739056	GXJDSBJGNFNJQJ-RELWKKBWSA-N	400.276	3.269	50	40	HGGB	
C/C(=N\NC(=O)c1cc2c3ccccc3n(C)c2s1)c1ccc(OCC(N)=O)cc1	9715390	ZZPNGHVJJCANAG-ZMOGYAJESA-N	420.494	3.411	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OCC	14134659	RRFZXPCLIVALCX-KKJJZKEWSA-N	421.291	3.430	50	40	HGGB	
CCCc1c(OC)c2c(c(OC)c1[C@@H]1C(C#N)=C(N)OC3=C1C(=O)CCC3)OCO2	15084733	RYDXWAHBHSVCDT-HNNXBMFYSA-N	412.442	3.200	50	40	HGGB	
COC(=O)N/N=C(/C)c1sc(-c2nc(C)c(/C(C)=N/NC(=O)OC)s2)nc1C	18087369	ZGOPZMBFURLQGR-KFSYKRRRSA-N	424.508	3.043	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)c(C)c1	20208203	YEJYZRRHFDEJOI-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
Cc1csc(CC(=O)NNC(=O)CN[C@H](c2ccc(CC(C)C)cc2)C(C)C)n1	96126355	BDETVSOGRKJGMH-QFIPXVFZSA-N	416.591	3.327	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1	409229719	UDFRZTDVFXIBSG-QFEZKATASA-N	421.419	3.243	50	40	HGGB	
O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2	1035090	DDOYKOFEQKTSOC-UHFFFAOYSA-N	424.326	3.144	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccncc2)cc1OC	2219494	OPWINDRODWVOLA-ZVHZXABRSA-N	404.426	3.115	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1	3150223	MXRNDVVHEVQROB-PYGAOSMGSA-N	401.422	3.473	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)c(OCCC)c1	6648298	CDVAOQAEMULRAM-OEAKJJBVSA-N	408.458	3.265	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1	24839547	YVKJUUZRCVCVBF-UHFFFAOYSA-N	415.446	3.010	50	40	HGGB	
CN(C)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95682019	QFMADCOVNHALBK-UHFFFAOYSA-N	406.314	3.307	50	40	HGGB	
Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)c(C)o1	102455886	DUMKDSPURCFIEB-BSYVCWPDSA-N	418.409	3.486	50	40	HGGB	
O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1c(F)cccc1Cl	4680498	FNPDHSZYNXJQNT-OPEKNORGSA-N	413.836	3.278	50	40	HGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1OC	6441266	ACWIJAZPYDQEMF-JAIQZWGSSA-N	405.248	3.492	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)o1	6831897	QYLPXUOKEQMAIJ-UHFFFAOYSA-N	400.435	3.116	50	40	HGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1	7913606	RWLRKQHIBBZMCB-HXUWFJFHSA-N	405.429	3.148	50	40	HGGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21	15018343	ARJKLQBFEKCUGS-GFMRDNFCSA-N	424.457	3.076	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	16758786	BKPAOLKCGYLUFZ-JQSQVVPISA-N	401.850	3.391	50	40	HGGB	
COc1ccc(C(=O)NN/C(C)=C/C(=O)c2ccc(Br)cc2)cc1OC	409054004	LJUMTDWEJDARDB-ZRDIBKRKSA-N	419.275	3.487	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@H]2c1ccccc1[N+](=O)[O-]	22553949	WOCGLRCJVKUNQW-QGZVFWFLSA-N	413.455	3.478	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1cccc(Cl)c1	32576957	JIPOOCXSRHNLKA-QRVIBDJDSA-N	405.329	3.261	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1OCc1ccc(Cl)cc1	408607141	BXAZMFCXWUCTGH-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408754601	KXNIVAZPKRGLBE-ISXGRJCASA-N	401.532	3.147	50	40	HGGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F	691090	QZBYWGYCAVWBTN-SFHVURJKSA-N	418.419	3.053	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccc(Br)cc1	3273791	ASBINWUNEWLUGD-UKTHLTGXSA-N	418.247	3.257	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)Cn1c(C)nc2ccccc21	7735505	LINHQSBVHULMIV-KEBDBYFISA-N	401.264	3.266	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O	16688949	LLSNEXUZBTVUTK-RIYZIHGNSA-N	411.370	3.003	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1	409008322	VVWIEXWZEFEBFP-SSDVNMTOSA-N	408.366	3.116	50	40	HGGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)NC(N)=O	409241685	LNUNTZJNINVTSD-QPEQYQDCSA-N	418.222	3.269	50	40	HGGB	
COC(=O)Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	818724	LVFJZGSAWHZRDQ-FQEVSTJZSA-N	405.454	3.265	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2250979	TZCIBOJMGJLYHY-IBGZPJMESA-N	404.857	3.472	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	4646368	JUXORCFWHPYMDE-IXXPDUCWSA-N	419.441	3.102	50	40	HGGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCC(=O)OC	408845635	GVQYQBPMZXRWIK-CFRMEGHHSA-N	422.437	3.486	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Cn2cccn2)c1	1081880	ITJJNSZCHNVITD-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(OCC)c1OCC(=O)OC	16185096	CDMAVQXKLZHMBX-WQRHYEAKSA-N	424.453	3.182	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]([n+]2ccccc2)[C@@](O)(C2CC2)N1	34903620	TULILSRMXDGPNB-WWNPGLIZSA-N	416.892	3.130	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1cc2c(s1)CCC2	40144175	UFJWZIPEGFJOOU-UHFFFAOYSA-N	412.490	3.182	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1O	408541668	FCXUZLACVYRTLL-XGICHPGQSA-N	417.215	3.407	50	40	HGGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)c1	102788771	GXQLBDRSKVDDIP-UHFFFAOYSA-N	414.414	3.070	50	40	HGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1	408589241	LCBQVGKJRFDGFH-IBUSPFOHSA-N	419.481	3.455	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1	39986596	VFNZHGZSVMYSNR-JMIUGGIZSA-N	414.314	3.073	50	40	HGGB	
Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3ccoc3C)c2C)cc1Cl	40128916	JPMWHYVHTWMIRX-UHFFFAOYSA-N	400.866	3.356	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n1	40080032	BBWSFLXQWZWCPL-OAHLLOKOSA-N	408.289	3.148	50	40	HGGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1	690872	GQGCWWZWGPOVSS-NRFANRHFSA-N	406.530	3.232	50	40	HGGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cccnc1	695729	SHAFBZDSZACLKZ-ZMOGYAJESA-N	421.530	3.022	50	40	HGGB	
COc1ccc(NC(=S)NNC(=O)COc2cccc(Cl)c2Cl)cc1	2571217	JUPKXSBMZOGINY-UHFFFAOYSA-N	400.287	3.399	50	40	HGGB	
COc1ccccc1C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	9222483	OPMUMMIKQNVBMR-UHFFFAOYSA-N	422.510	3.469	50	40	HGGB	
O=C(CSc1nnc2sc3ccccc3n12)NNC(=O)c1ccc(Cl)cc1	9632321	WGBVVRXQZIVUHN-UHFFFAOYSA-N	417.903	3.151	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC	14134649	IRIQTDKUWRFEFJ-YODDIOPGSA-N	407.264	3.040	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	20083576	DHOVDHAJVYBPCO-JJIBRWJFSA-N	414.937	3.007	50	40	HGGB	
CCOC(=O)Nc1nnc(SSc2nnc(NC(=O)OCC)s2)s1	59387006	PCJROMPOKUGAHQ-UHFFFAOYSA-N	408.512	3.326	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc([N+](=O)[O-])c1O	408858484	SLISQXCWDCKEPV-RIYZIHGNSA-N	411.370	3.031	50	40	HGGB	
O=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	2663639	YZFJDSWCMPWWSG-LPYMAVHISA-N	414.874	3.300	50	40	HGGB	
O=C(N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	3086455	QUZAQXWEGJAZRQ-KCOUNZPASA-N	416.437	3.086	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2OC)N1C(=O)CCl	11692283	KQXMMSCTNRYOON-LAUBAEHRSA-N	412.873	3.431	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCc1ccc(C(=O)O)cc1	408965014	FPFRWYDWRJCEIV-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
CCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1	7260902	QXDDKBLKZJJRDJ-UHFFFAOYSA-N	412.515	3.073	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1OC	10887171	OSBWHSAXVHUJFD-HNNXBMFYSA-N	416.474	3.111	50	40	HGGB	
N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	12428779	YJLCASWAUKSOCO-QHCPKHFHSA-N	418.403	3.376	50	40	HGGB	
O=C(CCc1ncc(-c2ccccc2Cl)o1)NNC(=O)c1cccc([N+](=O)[O-])c1	12977024	XNGRWIKFKNQBMY-UHFFFAOYSA-N	414.805	3.297	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccccc2)c(OC)c1	27563585	IMSCJBCCHZXBKJ-JUARGUKUSA-N	413.433	3.417	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	408761353	ITDLNGGXMBXCOE-PPRFWAEMSA-N	421.950	3.492	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccccc1	408777223	WRLCLSFLACBRBU-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1C	408780727	JCHPMLJCSGDQCO-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408905022	SBUIBHFZJXXSGQ-NHDPSOOVSA-N	411.370	3.047	50	40	HGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br	409126437	OBAHNIZSNFTTSF-SFHVURJKSA-N	412.287	3.191	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OC	1106928	BTIBUYWHKDNKFI-MRXNPFEDSA-N	403.232	3.390	50	40	HGGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc([N+](=O)[O-])cc1	1296353	CCSNJERMAQFWPG-UHFFFAOYSA-N	406.442	3.280	50	40	HGGB	aggregator
COc1ccc(S(=O)(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)cc1	1399214	DSMQGKVTEFEHMC-UHFFFAOYSA-N	413.480	3.081	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1OC	12276325	NHEKHACVOXRXGW-RTBURBONSA-N	408.479	3.366	50	40	HGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1	59516286	DZWSAGLGUQOCQP-DJKKODMXSA-N	410.655	3.200	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(C)=O	408756910	URFCNTUNALNYEM-SRZZPIQSSA-N	412.471	3.129	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c1	408777615	DGUWCLZBEBYIJY-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O	408787387	ZFHYMDOIPUAILP-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC(=O)c2ccccc2)c1	3102438	NOVRVCXHJIHFKM-OEAKJJBVSA-N	419.393	3.343	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1	6180467	OYOCUFXOFFZBLD-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
CC(C)=NNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	6997136	SMYRBJOPGAOTHR-SFHVURJKSA-N	414.487	3.139	50	40	HGGB	
CCCc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c2c(c1OC)OCO2	15085385	LZNQNXVIZMDZPU-UFFVCSGVSA-N	415.402	3.057	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C\c4ccc(F)cc4)c(=O)c23)C1	31783310	FUTGKWDRJVKFIE-NGDRAAPSSA-N	412.490	3.433	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1O	59482925	OKIPOKCWHHGBEG-VCHYOVAHSA-N	410.211	3.159	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccccc1C(F)(F)F	83261538	IRDCLVVRQDQODB-MYKKPKGFSA-N	408.424	3.478	50	40	HGGB	
O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccccc1-c1ccccc1	1053245	NDOVPKSPKZZGBD-ZVHZXABRSA-N	404.422	3.346	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	1085898	WDACLPDXSJZSQE-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccn2)cc1OC	2341388	QFGCKIFQWCXHIM-ZVHZXABRSA-N	404.426	3.115	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	4102980	QOWGMCXQCWRTDH-NVXWUHKLSA-N	407.499	3.409	50	40	HGGB	
C/C(=N\NC(=O)CCN1CCN(c2ccccc2)CC1)c1cccc(OC(F)F)c1	7985871	QBZDMWNGTAEDGO-KOEQRZSOSA-N	416.472	3.341	50	40	HGGB	
Cc1cc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccc(F)cc1	14356960	QAMVNUOOPAKEIM-UHFFFAOYSA-N	421.388	3.228	50	40	HGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccnc1	59533973	OSNXPMMXKYSDNQ-SRZZPIQSSA-N	407.342	3.454	50	40	HGGB	
O=C(O)COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1	408748841	IHGFHMKVFAKFFD-DJKKODMXSA-N	401.469	3.002	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)=O)c(OC)c2)cc1	408761419	JZAHFLLIYKZEGF-KEBDBYFISA-N	421.247	3.156	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	409020958	WFGSXAPZAIFQAI-ZVHZXABRSA-N	419.437	3.182	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2OC)cc1	409229610	RUYXNNZJSFRWKE-JXAWBTAJSA-N	407.470	3.476	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O	3643949	SYISLILQUUYXBK-WYMLVPIESA-N	406.829	3.349	50	40	HGGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1O	4663819	FFUMPLQZODRQSD-QGMBQPNBSA-N	405.277	3.273	50	40	HGGB	
CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1	4682367	UTFBBENFCCTOOM-UHFFFAOYSA-N	405.907	3.178	50	40	HGGB	
CCOc1cc(OCC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Br	6195728	BXFNYNOGAHEDCJ-INIZCTEOSA-N	419.279	3.496	50	40	HGGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)c1	10002094	NJIDPHXAVZWVBK-UHFFFAOYSA-N	417.421	3.051	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(F)c2ncccc12)c1cc2c(s1)CCCCC2	24579244	HERUNEBIBIZYEI-UHFFFAOYSA-N	419.503	3.328	50	40	HGGB	
C[C@@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253616692	YZPBDMRZRBJWSE-PZNFNJKJSA-N	406.611	3.383	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1	408841615	FQOYDDPRWOXEFZ-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cccnc3)cc2)S(C)(=O)=O)cc1	409026082	FRKNORITYMZVDJ-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2cc#cc3ccccc23)c(C)c(C#N)c1=O	409057940	NCJAGDMNMRPPFY-DICXZTSXSA-N	419.444	3.239	50	40	HGGB	
C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409128046	IIKYUVJNTSDHBL-HNNXBMFYSA-N	417.263	3.272	50	40	HGGB	
COc1ccc(NC(=S)NNC(=O)c2ccccc2Br)c(OC)c1	1410846	VCDIUDLSULVKCL-UHFFFAOYSA-N	410.293	3.098	50	40	HGGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)[C@H]3CC=CCC3)sc2=O)c1	2221252	SWNJPCPATJFOGQ-IMRMQAIZSA-N	419.890	3.116	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)c1	7387399	XMEUVLVYQXDLQU-UHFFFAOYSA-N	401.513	3.359	50	40	HGGB	
Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3n2)c1	21899296	FXHULYSZTRWMRO-UHFFFAOYSA-N	416.437	3.493	50	40	HGGB	
Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Oc3ccc(F)cc3)ccc12	50124351	FJYWFBAPOPEALJ-LBPRGKRZSA-N	415.446	3.026	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1O	59433887	RJNZYNCFEWBMHA-GZIVZEMBSA-N	415.755	3.162	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c(C)n1-c1ccccc1	2659954	CINXIECDSJOOGD-UHFFFAOYSA-N	401.422	3.275	50	40	HGGB	
CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	15083452	QQVOGTSLMLXFMM-LBPRGKRZSA-N	409.858	3.375	50	40	HGGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	59435401	NLCIJXVXHHJBIV-UHFFFAOYSA-N	403.504	3.297	50	40	HGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1Br	409063548	BZQLOCZONRGJIX-FYJGNVAPSA-N	402.292	3.358	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	2054000	QZZZRNMBLPFSMR-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1	6355079	FJUYYVNQJPHISP-FSJBWODESA-N	417.893	3.292	50	40	HGGB	
O=C(NNC(=O)c1ccccc1O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	30571916	DGPLLEMSCAQWLE-FQEVSTJZSA-N	400.438	3.161	50	40	HGGB	
COc1ccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)cc1	59366744	BZXBNDHCHAZRCZ-CJLVFECKSA-N	417.531	3.429	50	40	HGGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1	853957	WYHRUHDEUVPUKR-VOMPUTFMSA-N	407.426	3.376	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	1685221	LQOGTLWBGYHVFS-RNIAWFEPSA-N	418.469	3.079	50	40	HGGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	1958895	JEZPJKMUWXOIRY-UHFFFAOYSA-N	422.666	3.262	50	40	HGGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	6790702	SOTZRLPHVPPXKO-MRXNPFEDSA-N	420.465	3.426	50	40	HGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccc(Cl)cc1	19367069	YUPNTJUUPXDALX-YDZHTSKRSA-N	405.329	3.261	50	40	HGGB	
CN(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1	33335416	QJVJBHBNVMMIMD-UKWGHVSLSA-N	416.279	3.117	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)cc1C	408608364	WCWPYWMGHXERKI-SFHVURJKSA-N	411.531	3.257	50	40	HGGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2)c1	408734896	LGIDFBOCYMYGSU-JMOSNPTESA-N	422.481	3.485	50	40	HGGB	
C#CCOc1c(/C=C(\C#N)C(=O)NCc2ccco2)cc(Br)cc1OC	408813204	ORPCBWDQJJBADW-RIYZIHGNSA-N	415.243	3.286	50	40	HGGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3c(O)ccc4ccccc34)cnc2s1	2887965	HHCWXIAHAGMWCK-AUEPDCJTSA-N	406.467	3.030	50	40	HGGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(-c2ccccc2Cl)o1	4702509	LPLQGGITJNAPIS-WSDLNYQXSA-N	406.833	3.404	50	40	HGGB	
Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccncc1	5687646	XSZMYOVFHAJWPS-JFLMPSFJSA-N	411.465	3.436	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)Nc1ccccc1	12350021	VMRNFHYHCXMLSI-FOKLQQMPSA-N	407.257	3.453	50	40	HGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)c(OC)c1	100927727	HOFWGCCXHINRAM-SSDVNMTOSA-N	405.838	3.197	50	40	HGGB	
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1)C(=O)O	408934121	CPMDVXHRLGCCOL-GYZOOYGHSA-N	403.438	3.286	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	4499559	UWDIAGSZSXHNFQ-ZDEQEGDKSA-N	401.098	3.421	50	40	HGGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCc1c[nH]c2ccccc12	4613795	MCZZVYJNMBIIOL-VIZOYTHASA-N	404.382	3.071	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)c(OCC)c1	5130503	XJFAHIZZUZZRDJ-SFHVURJKSA-N	403.442	3.487	50	40	HGGB	
COc1ccccc1NNC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S	12032374	ZHTKXLREAHXVBY-PTNGSMBKSA-N	419.553	3.491	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1OCC	59516041	DTZYLZFCWXQSOC-KOEQRZSOSA-N	411.502	3.073	50	40	HGGB	
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408605038	KJHPLYKQZPERDY-QGZVFWFLSA-N	414.487	3.042	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)c2cccc(I)c2)cc1OC	408776071	TWZNAYNEWZVTIG-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408844103	GZJLCCPFGRELBC-YVNNLAQVSA-N	416.817	3.411	50	40	HGGB	
CC1=C(C(N)=O)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	4645596	IZCWLXUWZIACEC-HXUWFJFHSA-N	422.510	3.450	50	40	HGGB	
O=C(N/N=C/c1c(F)cccc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9665807	JVKGHPFRBOWRRQ-LGJNPRDNSA-N	418.403	3.487	50	40	HGGB	
Cc1noc(CSc2ccc(C(=O)NNC(=O)c3cccc(Cl)c3)cc2)n1	22992868	MIOQCFSNYKGSKR-UHFFFAOYSA-N	402.863	3.399	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1OC	34798641	BEKLPGPCNDHWJT-QRVIBDJDSA-N	423.425	3.078	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)c2nnn(-c3ccc(C)cc3)c2C(C)C)cc1	40142916	VPOPFQBOGIZFKI-UHFFFAOYSA-N	407.474	3.173	50	40	HGGB	
CCC[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)C(=O)c1ccccc1	408684523	NRCAHVBAMPZAMF-XTKUNFOOSA-N	421.287	3.152	50	40	HGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1)C(=O)O	408855059	CYBLULNASSNYGE-ORPVNXHJSA-N	406.236	3.457	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@H]2C1	1754253	AXBUSRSBMAXMBL-OALUTQOASA-N	419.510	3.290	50	40	HGGB	
COc1cc(C(=O)NNC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1OC	2726370	UHBKZHKNNXAEET-UHFFFAOYSA-N	424.906	3.309	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	4499561	UWDIAGSZSXHNFQ-WUHRBBMRSA-N	401.098	3.421	50	40	HGGB	
CSc1ncccc1C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	11356657	WBKIPUFGAZWQCR-UHFFFAOYSA-N	402.476	3.070	50	40	HGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccccc1Br	13839151	WRCGNBOKRLTZEV-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
O=C(N/N=C/c1ccco1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240477	BQHFYAUPPQJLTC-KOEQRZSOSA-N	402.498	3.361	50	40	HGGB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl	118913614	FCSHDIVRCWTZOX-QJMPPLJKSA-N	410.913	3.142	50	40	HGGB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	408646631	VWNPBNPBLBNPGW-LBPRGKRZSA-N	406.269	3.116	50	40	HGGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c1	409364674	OLZQWCDSSUZYCI-OCKHKDLRSA-N	406.236	3.373	50	40	HGGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	4713780	JJQPGGRXFSGQFD-JFLMPSFJSA-N	424.545	3.155	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc(O)ccc1[N+](=O)[O-]	35103054	PLYQRHWXINDTOM-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(Cl)cccc1Cl	408606794	BAZWLFGCQYHLJC-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)c1	409036128	KTLUQVMNXFJVKW-BUHFOSPRSA-N	416.433	3.394	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C1CCN(Cc2ccc(Cl)cc2)CC1	4643935	BWQOOTUMCMJVMY-WSDLNYQXSA-N	416.865	3.316	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1OC	1438140	WECRDDZVKUTWMV-QGZVFWFLSA-N	419.397	3.220	50	40	HGGB	
O=C(COc1ccccc1Cl)NCC(=O)N/N=C/c1ccc(Cl)cc1Cl	8452581	WXBVLYIKJFKZOJ-GZIVZEMBSA-N	414.676	3.292	50	40	HGGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2cc(OC)cc(OC)c2)C(C#N)=C(N)O3)c1	664392	PQFZAMSEVDPTGJ-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914468	UAZZOCNTUNJHAM-MYKKPKGFSA-N	417.252	3.415	50	40	HGGB	
CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N	9110791	RIWKHGAOGQCSMW-ZDUSSCGKSA-N	414.512	3.252	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1O[C@H](C)C(=O)O	409237191	IBJKZBWLFQXPGN-VTGBELTLSA-N	412.398	3.066	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(I)cc2)cc1OC	57606237	ZQKJICFNEXIRGP-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	1087116	OXWQMVKKMZLEOG-SECBINFHSA-N	423.705	3.424	50	40	HGGB	
Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(N(C)C)cc1	408970308	FSHVLPZYMYRELA-JAMLUQCHSA-N	424.545	3.121	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc(C(F)(F)F)c1	9434788	WQADPPAZHOWJPZ-UHFFFAOYSA-N	405.442	3.298	50	40	HGGB	
O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1cccs1	32118900	KBWUWSJKTUXXHN-GQCTYLIASA-N	400.312	3.404	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1	5512903	XLVJSMAIONJWCI-UFFVCSGVSA-N	409.354	3.356	50	40	HGGB	
O=C(O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1	4738533	GALJSZPXYRKZGC-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
COc1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC	5124213	HMNIXPDLKWGTRX-UHFFFAOYSA-N	402.491	3.080	50	40	HGGB	
Cc1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1-c1ccccc1	7244659	ZDVXWJXMAAAXAJ-SSDVNMTOSA-N	406.398	3.495	50	40	HGGB	
O=C1N/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(Cl)cc1	15057208	TUZGTNPGIDGMNK-ZROIWOOFSA-N	402.819	3.153	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	33647820	DOKSTWVPZQUVFP-CIAFOILYSA-N	414.259	3.183	50	40	HGGB	
CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1	59443947	VVQKLSKMTCJCPX-UHFFFAOYSA-N	417.531	3.178	50	40	HGGB	
CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)nnc1-c1ccccc1	409195683	VCOMXVRKXYWUIG-RGVLZGJSSA-N	411.447	3.027	50	40	HGGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2cccc(OC)c2O)sc(C(C)=O)c1C	1787784	GKWAQVFLDRHYAS-AWQFTUOYSA-N	419.459	3.306	50	40	HGGB	
CCOC(=O)c1cc(NC(=O)[C@H](Cl)C(=O)c2ccccc2)cc(C(=O)OCC)c1	3267313	KKYSFWFXBATPSB-QGZVFWFLSA-N	417.845	3.469	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1	13563188	MHNUXAHKYGFCOQ-CIAFOILYSA-N	424.486	3.424	50	40	HGGB	
COc1ccc(-c2nnc(S)n2CC(=O)NNc2ccccc2C(F)(F)F)cc1	24927905	BRBZBGGOGXPXLQ-UHFFFAOYSA-N	423.420	3.405	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc(I)c1	59138295	BYXNNZWANMBANI-WOJGMQOQSA-N	409.227	3.248	50	40	HGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	408761295	DUQKQSUVOUWUOJ-AFUMVMLFSA-N	413.433	3.230	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	408934868	CXWWJOVOCZKDGK-VTGBELTLSA-N	404.898	3.121	50	40	HGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccccn2)cc1)S(C)(=O)=O	409149161	YIZDSJUUXOQHAB-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@H]2c2ccccc2)ccc1O	1470150	IJMAMDFSRGLGQZ-LRHHQANISA-N	404.422	3.432	50	40	HGGB	
COc1cc(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	6201524	GHIMOVSEMPKZRC-PCLIKHOPSA-N	404.466	3.398	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)o1	9480717	JPFAJBIDZWQYPZ-ZVHZXABRSA-N	420.421	3.197	50	40	HGGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	12416696	SIJKFBTUPWSMRZ-HSZRJFAPSA-N	403.413	3.197	50	40	HGGB	
CCc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1	12753347	XCVXSDGRIWFXQN-UHFFFAOYSA-N	401.513	3.304	50	40	HGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1cccc(C)c1[N+](=O)[O-]	14199329	IPIWPHOQZBGZEE-UHFFFAOYSA-N	405.838	3.485	50	40	HGGB	
O=C(CCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	31719655	WCVRUKZIHPKZDL-WVZLMVLXSA-N	416.525	3.435	50	40	HGGB	
COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1O	31776202	WTMQOSMACKIZTC-SVKBEJCWSA-N	407.264	3.389	50	40	HGGB	
CCC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)C(=O)c1ccccc1	408684520	NRCAHVBAMPZAMF-LSRVEHGGSA-N	421.287	3.152	50	40	HGGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O	20211737	VYGBTMTUHLFHKD-XQNSMLJCSA-N	419.522	3.452	50	40	HGGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2I)cc(C)c1O	109266439	ZFOORMMPKHZZIO-OCKHKDLRSA-N	424.238	3.143	50	40	HGGB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1	408530561	JFOXEFCTJRHGNH-WJDWOHSUSA-N	413.275	3.299	50	40	HGGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1	408719466	FUAWABHBPVEYRY-KGENOOAVSA-N	400.460	3.349	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1Oc1nc(Cl)ncc1F	409007963	SNZHHJDQTXJTAI-PGGKNCGUSA-N	415.812	3.416	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1-n1cccc1	1394367	IIXZBMAXPOBOLC-UHFFFAOYSA-N	409.389	3.119	50	40	HGGB	
O=C(NNC(=S)NCCc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1	2793958	GWJTZMNNOVUFLY-UHFFFAOYSA-N	415.412	3.275	50	40	HGGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(c3cccc(Cl)c3)CC2)cc1	5489209	XGNLLFDCNVEGIP-HMMYKYKNSA-N	417.918	3.309	50	40	HGGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)COc1ccc(Br)cc1	14923294	XEUZLZPWIXGHCO-WSDLNYQXSA-N	422.254	3.488	50	40	HGGB	
Cc1ccc(NCC(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1	24842866	DVWMQYXWEJBVFU-UHFFFAOYSA-N	401.466	3.408	50	40	HGGB	
O=C(N/N=C\c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	30760490	UHWISUPLYSCLCV-PNDZLGEWSA-N	413.433	3.337	50	40	HGGB	
Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc(C)c1Cl	67197007	HIOQPPWVBFLDAW-FBCYGCLPSA-N	422.781	3.008	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223151998	SXFVJPRREFAFOX-OYKKKHCWSA-N	420.469	3.200	50	40	HGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(OC)c1	408812890	MNKRYPZLXUGAHY-UDWIEESQSA-N	405.454	3.206	50	40	HGGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1	408999878	SPAVIZOPFWSIKV-FYJGNVAPSA-N	400.435	3.222	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(OC)c1OC	6804540	ZFLGZFWLUVDLLN-MRXNPFEDSA-N	404.426	3.321	50	40	HGGB	
CN(CC(=O)N/N=C/c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1	8042788	PLMFLIBWYJGNHD-LPYMAVHISA-N	421.950	3.408	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)C12CC3CC(CC(C3)C1)C2	13302099	SDKYEPWUALWULN-UHFFFAOYSA-N	402.292	3.438	50	40	HGGB	
COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COC(C)=O)c1	17089815	YJTPTACOUWZPEP-RIYZIHGNSA-N	414.439	3.152	50	40	HGGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409325532	ZSUXTHDYUIGQJC-AWEZNQCLSA-N	422.348	3.389	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2o1	1241108	VHTKRLQCTJXEQJ-KEBDBYFISA-N	401.444	3.096	50	40	HGGB	
Cc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(O)n2c(nc3ccccc32)c1C#N	3026254	AILMTMUPKIRWKW-FOKLQQMPSA-N	414.381	3.045	50	40	HGGB	
C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N\NC(=O)COc1cc(C(C)C)ccc1C	5342669	LAULLVXWHDZWSQ-AJPHYDNBSA-N	409.486	3.219	50	40	HGGB	
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1Br	9422239	CEMQZVGSUVBHQQ-OJNRTJSBSA-N	416.275	3.133	50	40	HGGB	
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NN)cc1	12861914	JBASIYCOUDCWRD-HSZRJFAPSA-N	420.513	3.302	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1O	13839117	OWXSYTLSCBIYTP-VXLYETTFSA-N	422.235	3.154	50	40	HGGB	
CO/N=C\C(C#N)=C\C=C/Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	17123759	UDVMGMNVLPWLHW-NPGNYMIFSA-N	401.448	3.100	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)c1	29233605	MIZLVSMGPNTPLU-UHFFFAOYSA-N	403.276	3.016	50	40	HGGB	
O=C(NNC(=O)c1cnn2c(-c3ccccc3)ccnc12)c1cc2c(s1)CCC2	40144184	IZTKFHDZNGUEDF-UHFFFAOYSA-N	403.467	3.021	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1	104833447	BYWVEJXLPJZTRG-PMVMPFDFSA-N	415.884	3.054	50	40	HGGB	
COc1ccc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)cc1OC	1501370	FWFBMZNCCLDFPG-AFUMVMLFSA-N	415.453	3.266	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)c1	3083838	SXEAGHTZLNHEBA-AUEPDCJTSA-N	413.327	3.021	50	40	HGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(I)c2)c1	4699154	DZYLUYGGWHKDCM-VXLYETTFSA-N	408.239	3.437	50	40	HGGB	
O=C(NNC(=O)c1sccc1-c1ccccc1)c1nn(-c2ccccc2)cc1O	13082203	WAYCTJOICHDBFT-UHFFFAOYSA-N	404.451	3.381	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2nccs2)c1Nc1ccccc1C	408708874	UYQXSQUGSUHBFZ-WSDLNYQXSA-N	409.471	3.293	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2	408710660	CZUBBJIOGMLBMV-RGVLZGJSSA-N	405.248	3.383	50	40	HGGB	
COc1cccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(N)=O)c1	2409341	SDQTVTDLVGOPQL-SBOLGIJOSA-N	407.495	3.224	50	40	HGGB	
CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/NC(=O)c1ccncc1	5807634	BSZZXVQQFQKMQO-VIHXGXMLSA-N	409.534	3.401	50	40	HGGB	
CSc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	20209202	RFKHBYKCINWBJB-FYJGNVAPSA-N	419.572	3.448	50	40	HGGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)cc1	408736408	BTEQHQONFVVTSP-AXDLBROPSA-N	422.485	3.317	50	40	HGGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	409158868	PJNBGEWUOFVTBF-WYMPLXKRSA-N	420.425	3.352	50	40	HGGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	1423084	LWMOFVBIVYBRMP-HSZRJFAPSA-N	418.403	3.376	50	40	HGGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	1435656	SOQRUAJNJMBHCM-VULFUBBASA-N	417.396	3.446	50	40	HGGB	
CNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	2667719	XVSGAGBRNAYWOJ-LIEZGIJOSA-N	417.967	3.418	50	40	HGGB	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@H](C(Cl)(Cl)Cl)[C@H](Cl)[C@H]21	4473353	ZHFQQVKDSXTXHT-OPYYZBHZSA-N	402.101	3.220	50	40	HGGB	
O=C(NNC(=S)NC(=O)c1cc(Br)ccc1Cl)c1cccs1	17091655	RHLZDYCFTUVWBW-UHFFFAOYSA-N	418.725	3.113	50	40	HGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1[nH]c2c(c1C)C(=O)CCC2	24584000	MDMHTPSUCLTFGZ-UHFFFAOYSA-N	417.893	3.424	50	40	HGGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cc[n+]([O-])cc1	58366824	MJGYVKQIDXHCFE-UHFFFAOYSA-N	418.840	3.263	50	40	HGGB	
CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(\C)N)nnc2-c2cccnc2)cc1	97979080	YYELIZZYCXEUCO-NBVRZTHBSA-N	420.498	3.145	50	40	HGGB	
CC(C)CNC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1	223168311	YSKMKKUPNSIGBN-STZFKDTASA-N	405.498	3.103	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OC	408809385	RMYIXDBBGOXLEV-GZTJUZNOSA-N	424.453	3.500	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)cc1C	408862628	HYZULXXEYUENTO-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)c2C)cc1	58913372	PYZBVMSBADPGHI-ZVHZXABRSA-N	420.469	3.200	50	40	HGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(F)cc2)cc1OC	5728354	BSZRTNHSXVOBFH-ATVHPVEESA-N	420.444	3.499	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408815391	RGKUYRIAWZQVMA-JHZDVVKTSA-N	421.844	3.011	50	40	HGGB	
C=CCn1c(SCC(=O)NNC(=O)c2ccccc2Cl)nc2ccccc21	11650833	QGLFMPMFFKCBMC-UHFFFAOYSA-N	400.891	3.429	50	40	HGGB	
COC(=O)[C@H](Br)[C@@H](Br)c1cc(OC)c(OC)c(OC)c1	1704042	JLZNLULNALKSKA-WDEREUQCSA-N	412.074	3.085	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC	2249330	ONDDNEWRNICPLR-FQEVSTJZSA-N	419.437	3.033	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)Cc2ccccc2)cc1	2843340	UQVPUNFOSVNCKA-XQNSMLJCSA-N	408.479	3.456	50	40	HGGB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1	112290717	RWAKZHBEYYROBK-AQTBWJFISA-N	420.498	3.403	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	408610195	MRMIVFJVUPDZFI-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
Cc1ccc2nc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)sc2c1	408677280	BMRDWDUCTRGNIG-CQSLXQFASA-N	407.289	3.114	50	40	HGGB	
O=C(NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1)Nc1ccccc1	408727165	XNWGKEQIIVYJTQ-UHFFFAOYSA-N	412.457	3.351	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OC(C)=O	408765504	XYOVREIMIUXSEK-ZMOGYAJESA-N	407.426	3.088	50	40	HGGB	
Cc1cc2c(cc1C)CN(CC(=O)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C2	409197704	MPKNVPQRBWVDMQ-MSXFZWOLSA-N	417.469	3.468	50	40	HGGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409225368	PNLGWEUWLLMCTP-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
Cc1cc2occ(CC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2cc1C(C)C	2656682	PEWOPSIGHBCCMS-OAQYLSRUSA-N	408.454	3.395	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1C(F)(F)F	4091312	BWQRITPVWZRJPM-BHGWPJFGSA-N	408.424	3.478	50	40	HGGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	4505182	VKNWRMNATOZRAG-HZPDHXFCSA-N	406.442	3.468	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cc(C)ccc2C)cc1OC	35586499	TZBFDMKKLZRYHR-UHFFFAOYSA-N	418.457	3.206	50	40	HGGB	
COc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	6973767	RVQQDOQGJMXOAX-YVECIDJPSA-N	417.097	3.122	50	40	HGGB	
CCOc1ccc(O)c(/C=N/NC(=O)c2ccc(I)cc2)c1	10118675	PXHBYUCCJJCRTQ-VCHYOVAHSA-N	410.211	3.159	50	40	HGGB	
C[C@]12[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@H]([C@H]5[C@H]1[C@H]4I)[C@@H]2I	100884674	YYOJUCRKMCIPST-QULJPDMGSA-N	412.052	3.371	50	40	HGGB	
C[C@H](CBr)[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	253394018	ODBKDMBZQPUAAM-IEADHOOQSA-N	411.360	3.229	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408606729	AMHRBJNQTOZECJ-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408609806	LOEIEYXZNLYBFN-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1	3170632	XRXKFEFNPDXTGD-XQNSMLJCSA-N	408.479	3.456	50	40	HGGB	
O=C(NNS(=O)(=O)c1cccc(OC(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2	12734593	MWPSRRQBWCNSRA-UHFFFAOYSA-N	418.437	3.111	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1	19869139	KAJCWJLKZXVGJH-BZDDNHAASA-N	401.466	3.218	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1ccc(Br)cc1	20209877	QUEBKTMPAJOFFL-UHFFFAOYSA-N	416.341	3.042	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1	48290663	ZPLGVVBESGUNEM-UYRXBGFRSA-N	421.453	3.241	50	40	HGGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	101118119	LCLQBIPYLKZKLH-YFUCGWOJSA-N	419.484	3.493	50	40	HGGB	
C/C(=N\NC(=O)CSCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	408724793	AVBDBQXIBIWEJL-DEDYPNTBSA-N	401.444	3.140	50	40	HGGB	
Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408846390	KEIIPTFWIGQXKU-ODLFYWEKSA-N	407.268	3.343	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	408996117	KZAQEUAZIISEAI-FMCGGJTJSA-N	422.312	3.355	50	40	HGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccc2Cl)CC1	409005746	KVVBKHJNMFDKCA-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
Cc1nn(C)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C1C(=O)CCC2	695930	AEPJLJOYZQMABJ-IBGZPJMESA-N	422.420	3.081	50	40	HGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1	3167284	OWPIKLXNEPOVND-AWQFTUOYSA-N	416.390	3.170	50	40	HGGB	
Cc1ccc(-c2nc(C(=O)NNC(=O)c3cc(Br)cn3C)cs2)cc1	12393553	BDMMTJKTMSGKKA-UHFFFAOYSA-N	419.304	3.294	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1	20060260	AOJNZEUHXFDOID-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1cc(/C=N\NC(=O)CNc2ccc(Cl)cc2Br)ccc1O	32929277	BQESBRQZFFORQM-ZBKNUEDVSA-N	412.671	3.379	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c1	59472758	MMFUTFHRCVJZMQ-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(N/N=C/C=C/c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408851612	DHLUXVVCQMUGPT-PFMIQAFKSA-N	417.918	3.309	50	40	HGGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	409112472	DHQIGGSPWIBGKV-IUXPMGMMSA-N	409.196	3.227	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)C[C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1	4700373	MJSHEORCFTWZSH-CYBMUJFWSA-N	417.893	3.473	50	40	HGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(OC)cc1	5316907	OLNWVSNPGIKXRH-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
C=CCc1cccc2cc(C(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)oc12	6073550	IDDLFBCGSLZFHW-UHFFFAOYSA-N	410.342	3.095	50	40	HGGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2ncsc2c1	15386772	VSNDXONCXUHFBF-SNVBAGLBSA-N	420.288	3.287	50	40	HGGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	16347954	KEEPWHNPZMXKPQ-WQRHYEAKSA-N	421.409	3.138	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1	40145241	KTUCGUJFJXTRSK-UHFFFAOYSA-N	410.861	3.500	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(Cl)c2)cc1	408760436	YPPHOZAVURJVFK-PPRFWAEMSA-N	421.950	3.492	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	409020894	VIZCGYRSACBBLO-HZHRSRAPSA-N	404.426	3.349	50	40	HGGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OC)c2)cc1	409263395	JAQHLGZEFOFKDI-WSDLNYQXSA-N	419.865	3.322	50	40	HGGB	
COc1cc(/C=C(\C#N)S(=O)(=O)NC2CC2)ccc1OCc1ccc(F)cc1	584908870	CXNIJLCMPHWMMZ-VCHYOVAHSA-N	402.447	3.360	50	40	HGGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccco2)cc1OC	12275232	QHZCWAYVIVQJFM-LHSJRXKWSA-N	412.467	3.330	50	40	HGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc2ccccc2c1O	101158734	LBLPSCIYDUAKHS-ZMOGYAJESA-N	405.410	3.409	50	40	HGGB	
Cc1cc(C)c2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)Nc3ccccc3)c2c1	199413224	YDCXTRTWZDMIMI-UHFFFAOYSA-N	406.486	3.202	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	409041909	KUDIKSFKHKVRMV-UDWIEESQSA-N	416.231	3.062	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1	2077300	NJYCXCXKGCXKMB-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
COC(=O)c1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1C	3202949	SHOXIGNYUUGFBC-KEBDBYFISA-N	405.248	3.073	50	40	HGGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccc1Br	5423873	QWJRXAYBSUVSAJ-UHFFFAOYSA-N	400.232	3.487	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](O)c1ccccc1	14134667	YXPGPMUJTYTUBD-VSIOZEBNSA-N	405.410	3.358	50	40	HGGB	
Cc1cc(OCC(=O)NNC(=O)c2sc(-c3ccccn3)nc2C)ccc1Cl	16173939	CKGDRAUXTWLGHF-UHFFFAOYSA-N	416.890	3.315	50	40	HGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1ccccc1Cl	19682712	KUQIMAOTGKJJLI-YDZHTSKRSA-N	405.329	3.261	50	40	HGGB	
COc1ccc(NC(=S)NNC(=O)c2cc(Br)ccc2OC)cc1	408585360	FPGUZIDOERXVMJ-UHFFFAOYSA-N	410.293	3.098	50	40	HGGB	
O=C(O)COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	408850994	TZFNILPKQQNYTC-UKWGHVSLSA-N	417.215	3.423	50	40	HGGB	
O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409116803	MQOGQFTVHXHTKX-NHDPSOOVSA-N	424.398	3.208	50	40	HGGB	
COc1cc(C(=O)NNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc(OC)c1OC	707541	YMBPMDHJQWMTPR-HZMBPMFUSA-N	417.289	3.065	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc2c1OCCO2	8303144	JDTFZPXCPXHCBO-UHFFFAOYSA-N	416.499	3.262	50	40	HGGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccccc2)cc1Cl	19951813	JYHCBQUTBMGGOS-UHFFFAOYSA-N	409.895	3.056	50	40	HGGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1csc(COc2ccc(F)cc2)n1	24839951	JUBCUFKIJVXBGP-UHFFFAOYSA-N	424.457	3.346	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C\c2cc3c(cc2Br)OCO3)c1C	30838802	GZDBLUMTRPDOMR-ZBKNUEDVSA-N	405.248	3.324	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)cc1OCC	59433979	RVEOEJYIDCRTTP-OEAKJJBVSA-N	413.474	3.280	50	40	HGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408708218	ORNMNHKJILQKMS-FSJBWODESA-N	423.300	3.340	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O	2429374	GKTPHWVHEQMNSY-DTQAZKPQSA-N	416.437	3.013	50	40	HGGB	
Cc1ccc(SCc2n[nH]c3c2[C@@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1	4631752	PLOINLXOZSPFIK-QFIPXVFZSA-N	415.478	3.335	50	40	HGGB	
O=C(N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O)c1ccccc1	5119246	ATUOEZURORVULU-GOSISDBHSA-N	409.313	3.396	50	40	HGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)c1	5962145	OBZZZMGZNLMQNB-UHFFFAOYSA-N	419.481	3.402	50	40	HGGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1	59463298	GQLFKJISGSJMIN-AUEPDCJTSA-N	422.397	3.454	50	40	HGGB	
Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(=O)oc2ccccc12	79021732	JCSKFYDSEBWVFA-HNNXBMFYSA-N	416.433	3.483	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCC#N	408983350	BFIFUIRIIGTNJR-VGOFMYFVSA-N	415.247	3.421	50	40	HGGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)C(=O)Nc1ccc(C)c(Cl)c1	4359411	QKBUGDKOYBTPAL-WYMPLXKRSA-N	404.829	3.247	50	40	HGGB	
COC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC	4428881	ZBTVWFGYYDPWMT-UHFFFAOYSA-N	424.732	3.361	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@@H]2C1	4453031	CVXIPSAEKXLKJH-WOJBJXKFSA-N	401.470	3.034	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC#N	6441227	MCRVSYMHFNFKMO-SRZZPIQSSA-N	412.496	3.450	50	40	HGGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	9518715	TXRJZGNPNJWYKJ-UHFFFAOYSA-N	409.793	3.134	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	12374533	XJKGPGUHNSLARI-HSZRJFAPSA-N	418.403	3.376	50	40	HGGB	
CC(C)N(C(C)C)S(=O)(=O)c1ccc(NNC(=O)Nc2ccccc2F)nc1	12631635	XLDLOYHBPYVKQS-UHFFFAOYSA-N	409.487	3.177	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)o1	57609301	DXBQXFXVDFWALC-SSDVNMTOSA-N	424.482	3.382	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12)c1cccc(Br)c1	59459149	GUJDGJHZMDJSBZ-AWQFTUOYSA-N	415.203	3.375	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408707655	LKROFEKBCOZCFH-SSDVNMTOSA-N	419.254	3.084	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408720299	XWBWCDLQUUWUQV-PCLIKHOPSA-N	403.482	3.201	50	40	HGGB	
N#CC(/C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21)=C(/N)NCCO	5119803	BTNIEVYRENSAJG-TXRGQQFOSA-N	415.280	3.331	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)cc1	5296244	YUMLOSZOLLVRFY-NFZXXJEJSA-N	403.482	3.214	50	40	HGGB	
COc1ccc([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	6014801	JKQGNOSEFIWBII-GMAHTHKFSA-N	423.476	3.120	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(F)cc1	20212956	RHQQUODOQBZLPK-FYJGNVAPSA-N	411.886	3.094	50	40	HGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccccc1	28214938	GRTXCQFJDQGIAJ-STPJHCLOSA-N	402.454	3.102	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1	33697636	NQQYYZQMAOBKSB-FHWLQOOXSA-N	423.469	3.307	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(OC)c1	408869100	QSNJRNQJQPNWTB-LHHJGKSTSA-N	400.818	3.309	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)/C=C/c2ccccc2)cc1	409003724	UKXQJCXVWVMIMN-LFIBNONCSA-N	415.449	3.422	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC(N)=O	409234965	BLQXPJNQIZSEBR-QPEQYQDCSA-N	418.222	3.269	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	1105642	XEXLOQDODVQFLX-YDZHTSKRSA-N	406.394	3.109	50	40	HGGB	
N#C/C(=C\c1ccc(O)c(I)c1)C(=O)NCc1ccccc1	1410794	KWGVKDCIVANQIN-RIYZIHGNSA-N	404.207	3.220	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1OC	1437773	HMSBYFCUYSIVAW-UFFVCSGVSA-N	410.257	3.490	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1O	3081453	YFEQAOGGXNVXKY-AWQFTUOYSA-N	407.264	3.309	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1OCc1ccccc1	4263907	SYNABHNAPBBJLG-ZVHZXABRSA-N	415.453	3.169	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1	4354967	CMMYOEISGOFTIF-ZWKOTPCHSA-N	407.861	3.222	50	40	HGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cccc([N+](=O)[O-])c4)ncnc32)cc1Cl	12140440	ZRVBNYMEXNXRAS-UHFFFAOYSA-N	423.820	3.442	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OC	14134653	TVKDJOHMOCJCCT-YODDIOPGSA-N	407.264	3.040	50	40	HGGB	
CCCCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21	16805044	AZSKZYZVQVOOTQ-FXBPSFAMSA-N	416.275	3.436	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1	59444710	YNTPTUYBGROZTJ-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
O=C(N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(O)c1	408542776	NUXPGECNTBGMOM-KSEXSDGBSA-N	403.394	3.450	50	40	HGGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3cccc(N(C)C)c3)c2c1	409020611	RAXBHQHYXXGEKY-OYKKKHCWSA-N	407.470	3.452	50	40	HGGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)C(=O)Nc1cccnc1	409099894	MSCOVLWWRPRYNH-NTEUORMPSA-N	404.411	3.477	50	40	HGGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)c2c1	871140	DAMXAEJCLFJBLZ-SSDVNMTOSA-N	409.467	3.492	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	5598061	BRBSMCLBPXIUSY-MHWRWJLKSA-N	411.410	3.402	50	40	HGGB	
C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1O	6958663	VLXLIOAHGPYKBC-SRZZPIQSSA-N	400.504	3.169	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C(=O)O)c1OC	12693510	FNDOMYALHUMMDS-SSDVNMTOSA-N	420.849	3.363	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3[nH]2)cc1OC	23017912	FRZGRMKHLZAFDO-UHFFFAOYSA-N	418.247	3.022	50	40	HGGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59334038	RJEVLWJHUOAWDY-WZUFQYTHSA-N	415.671	3.040	50	40	HGGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(N)=O	408870471	FCBZRNDFZRVPBO-AWNIVKPZSA-N	402.204	3.329	50	40	HGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(Cl)c2)c(C)c(C#N)c1=O	409052932	FEBHNYBVIKHKHK-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c2ccccc21	5014767	QTXLUINTQOAQEJ-FOWTUZBSSA-N	420.444	3.089	50	40	HGGB	
COc1cc(C)ccc1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	9336406	IKJVOZMDQQEJOG-MRXNPFEDSA-N	408.454	3.151	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccccc1Cl	59250148	QFZASZMGYSGHCX-VXLYETTFSA-N	412.671	3.296	50	40	HGGB	
COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1COc1ccccc1C(N)=O	102380999	HLIJYLJTMUZUET-ZMFRSBBQSA-N	421.428	3.276	50	40	HGGB	
CCCCCC[C@@H](C)NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	199413544	ACUGATXYBXHATA-QGZVFWFLSA-N	400.523	3.044	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cc(Cl)ccc1Cl	409029107	WCJUCTJXNRQMMK-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
O=C(NNc1ncnc2ccccc12)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	1615055192	IUKNFOWYHSHCHJ-IAGOWNOFSA-N	415.453	3.066	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccc(OCC)c1OCC	1471890	KQTSQLNTCLPDHK-INIZCTEOSA-N	406.866	3.348	50	40	HGGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1c(C)no[n+]1[O-]	4547868	QSKQDSWDKVTMFV-CXUHLZMHSA-N	408.370	3.176	50	40	HGGB	
COc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(OC)c1	6016630	LPMQYPJLNBHTAU-CSKARUKUSA-N	405.410	3.102	50	40	HGGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1C	18103557	BURRUGAQHGLUSU-OAHLLOKOSA-N	410.499	3.380	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cn1	30802944	XBTQOMUWWQYJFZ-FXBPXSCXSA-N	413.069	3.385	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)cc1	59959829	NFKIUZQQAHACOB-WGOQTCKBSA-N	402.498	3.212	50	40	HGGB	
O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1ccc(Cn2cc(Cl)cn2)cc1	252486204	HJFDNLSYTQFSOU-GZIVZEMBSA-N	410.787	3.108	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc1Br	408782304	HEUGPOAHAJULNM-WCIBSUBMSA-N	415.671	3.086	50	40	HGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1OCC	409312735	MCTQUMQOKQBRQI-JLPGSUDCSA-N	408.454	3.435	50	40	HGGB	
Cc1noc(-c2ccn3c(CNC(=O)CCCC[C@@H]4CCSS4)nnc3c2)n1	575610062	VGZGJNHZHYPGDY-CQSZACIVSA-N	418.548	3.418	50	40	HGGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	58914400	AHGWLXBFPRFXAR-CRRPLPBISA-N	406.398	3.182	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	408906037	CGZFSFYBCHXDNK-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O	409132773	RGKZEHULQYIMOE-VXLYETTFSA-N	400.287	3.153	50	40	HGGB	
COC(C)(C)[C@H](Br)C(=O)OCC(=O)c1ccc(Br)cc1	1662616	ASALFFDRHFDVCX-GFCCVEGCSA-N	408.086	3.364	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1C	3084440	NOAVGWSKKWNPQT-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
COc1cc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC	3360530	SLVDEBSPXPPQTE-UHFFFAOYSA-N	420.465	3.383	50	40	HGGB	
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)n1	6512331	DYERZXIOBAIJKS-UHFFFAOYSA-N	413.437	3.488	50	40	HGGB	
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O	40159310	ZWVIDFMZPHVYIG-XMMPIXPASA-N	414.465	3.323	50	40	HGGB	
CS(=O)(=O)[C@H](I)C(=O)c1ccc(-c2ccccc2)cc1	96517907	ZWERYLUNYHSCRI-HNNXBMFYSA-N	400.237	3.342	50	40	HGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408908347	RMXBDTRLAOXPEC-RSZPVBOMSA-N	418.291	3.257	50	40	HGGB	
COC(=O)C(=C[C@H](Br)[C@@H](Br)c1ccccc1)C(=O)OC	1716641	IYKXVSGKMJGACF-RYUDHWBXSA-N	406.070	3.159	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Cl)cc1Cl	58917318	WXKXLBHSXKDXAY-SSDVNMTOSA-N	409.317	3.183	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1	59473617	AMKOJGLTDOUHBH-SSDVNMTOSA-N	400.500	3.239	50	40	HGGB	
O=C1Nc2ccc(-c3ccccc3)cc2/C1=N\NC(=O)c1nnc(-c2ccccc2)o1	63422326	QJPWZGATZCNBRD-UHFFFAOYSA-N	409.405	3.490	50	40	HGGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-]	409172364	CYQXUSKUNUCRPY-BHGWPJFGSA-N	424.388	3.182	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-]	788175	XFWQUOYGTMLWKB-IBGZPJMESA-N	401.422	3.362	50	40	HGGB	
COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1OC	2356741	XJZQFYKGMINNEO-HXUWFJFHSA-N	419.437	3.033	50	40	HGGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	3084199	ODJPHRXXOZOJGQ-YBFXNURJSA-N	419.235	3.226	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C)c1	11690294	YLNAUPLJWYYDIA-HXTJDARSSA-N	407.495	3.176	50	40	HGGB	
COc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccccc3)c2)cc1	34807124	VGYVKNNWFZLOOA-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C(\NS(=O)(=O)c2ccc(C)cc2)SC)cc1	100955272	KGCDWTXUYJVUQE-HTXNQAPBSA-N	417.512	3.019	50	40	HGGB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1OC	408604454	JJIXKJKUYMCPJO-KRWDZBQOSA-N	414.487	3.040	50	40	HGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OC	409335770	XVEUDSSHBJPLAF-JJFYIABZSA-N	418.833	3.141	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1	20763724	PGTVQKCOHBGADF-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
CC(C)=NNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	6997128	SMYRBJOPGAOTHR-GOSISDBHSA-N	414.487	3.139	50	40	HGGB	
CCCOc1c(I)cc(/C=C(/C#N)C(N)=S)cc1OC	408541714	CVWKGQMJHPUMTC-YHYXMXQVSA-N	402.257	3.282	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	4102982	QOWGMCXQCWRTDH-WBVHZDCISA-N	407.499	3.409	50	40	HGGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1[N+](=O)[O-]	4815537	LSHBPWJYAOMKLF-AWQFTUOYSA-N	405.794	3.254	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(=O)O)c1	9324287	GJSHLNYOFJJDBM-ZMOGYAJESA-N	420.421	3.442	50	40	HGGB	
O=C(N/N=C\c1cc(Br)c(Br)o1)c1ccc2c(c1)OCO2	12375058	FVWGUHAZGGHVOD-BNCCVWRVSA-N	416.025	3.297	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccccc1C(F)(F)F	58911371	IENMYZZHDSKUME-OPEKNORGSA-N	408.424	3.335	50	40	HGGB	
COc1cccc(/C=N\NC(=O)COc2cccc3ccccc23)c1O[C@H](C)C(=O)O	409232229	PFDLPMFHDCNHCF-IZVPMIMASA-N	422.437	3.229	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)cc1	409369732	FNNJCYYJPLAGQS-AFUMVMLFSA-N	404.470	3.443	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1	1252224	REGQRYVJXJKQPO-PCLIKHOPSA-N	420.465	3.099	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(C)c1	2080923	CSFSBEFZMDENIC-CIAFOILYSA-N	401.260	3.299	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OC(=O)c1cccs1	2628091	UDMNJCNORJFPJG-KMPOOHAWSA-N	412.467	3.178	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1OC(F)(F)C(F)F	3083844	PUXOGVFLIBTCBG-AUEPDCJTSA-N	413.327	3.021	50	40	HGGB	
CCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC	6649767	YJZCRIPGYOEJSI-UHFFFAOYSA-N	420.849	3.331	50	40	HGGB	
CCCn1nc(C(=O)N/N=C/c2ccc(OC(F)F)cc2)c2ccccc2c1=O	6788764	SSMWZWVOJBJRLT-FSJBWODESA-N	400.385	3.172	50	40	HGGB	
O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCOCC1	101434041	SSXWAQZEBHJMOY-UHFFFAOYSA-N	420.405	3.411	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c1	408747878	VDRQINZPHXYDJJ-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408815024	REAANMSSUHGLTG-UKWGHVSLSA-N	417.215	3.423	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O[C@@H](C)C(=O)O)cc1	408844458	JEMOXZGRVBPGDU-KKBVUKDESA-N	421.247	3.074	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccccc1O)n1c(-c2ccccc2)nc2ccccc2c1=O	949503	ZWZCQSAYOCGVHK-JZCUADNKSA-N	412.449	3.480	50	40	HGGB	
O=C(N/N=C/c1cccs1)C(Cc1ccccc1)C(=O)N/N=C/c1cccs1	2056018	NRDSJGHDRIXHOO-JFMUQQRKSA-N	410.524	3.269	50	40	HGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(C)n1	2742489	FLAKCXZBFJKHEH-YDZHTSKRSA-N	421.530	3.022	50	40	HGGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccccc1NS(=O)(=O)c1cccs1	5119734	VTRWWEFOWQLRBL-XDHOZWIPSA-N	401.469	3.018	50	40	HGGB	
O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)NNC(=O)c1ccccc1	5183474	BMCJMUDWDQXMFE-UHFFFAOYSA-N	406.511	3.304	50	40	HGGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	14333127	BYKGKJHALMCWIX-YLSHDAJPSA-N	403.567	3.071	50	40	HGGB	
Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccc2ccccc2n1	15133411	TVYUWTHCTACXMX-UHFFFAOYSA-N	409.243	3.392	50	40	HGGB	
COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	20059792	VEECNTBCUSUETA-UHFFFAOYSA-N	415.515	3.245	50	40	HGGB	
CC(C)[C@H](NCC(=O)NNC(=O)c1ccccc1Br)c1ccccc1	57517063	NJASDUOIRLEOSQ-SFHVURJKSA-N	404.308	3.197	50	40	HGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333968	YADWIHHQGPNVFB-WDZFZDKYSA-N	412.081	3.219	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408815404	RGKUYRIAWZQVMA-UTFPEKBQSA-N	421.844	3.011	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)OC	408962855	KJMVUHMHZGHGSL-BHGWPJFGSA-N	424.375	3.420	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccco1	1102247	YOUZMMNKZUJIBI-WLRTZDKTSA-N	408.977	3.004	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	1423066	DUCAMNBBYFUAIS-HSZRJFAPSA-N	418.403	3.376	50	40	HGGB	
COc1cccc(-c2nc(C(=O)NNC(=O)c3ccc(F)cc3)cs2)c1OC	12937886	HGHNKZJMRJLCPF-UHFFFAOYSA-N	401.419	3.041	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)cc1C	9883687	NAQPUCHFJBKZLX-HNNXBMFYSA-N	423.538	3.281	50	40	HGGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12	4121296	NNDVYPAQRGIQFQ-UHFFFAOYSA-N	416.528	3.146	50	40	HGGB	
O=C(NNC(=S)NC(=O)c1ccccc1Br)c1ccc(Cl)cc1	12500878	GOPGKNJNUURURS-UHFFFAOYSA-N	412.696	3.052	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)o1	13584372	JEMJFSNUFRLPQA-PHZXFRFISA-N	407.382	3.453	50	40	HGGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc2ncsc2c1	15386773	VSNDXONCXUHFBF-JTQLQIEISA-N	420.288	3.287	50	40	HGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccs2)cc1	20232692	XSEBGZVZPHDSPV-KGENOOAVSA-N	413.524	3.478	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)NCc1ccco1	28215344	HSNDOKYHRPBHTP-WYMPLXKRSA-N	411.845	3.392	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(N(C)C)cc1	408607438	RZTKVTVAZIDINU-SFHVURJKSA-N	410.547	3.006	50	40	HGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)c1	1097831	DHQPDDRMIRRBLR-KRWDZBQOSA-N	419.397	3.220	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2ccccn2c1=O	2433275	WHVDGZZMERTRDR-SDNWHVSQSA-N	408.845	3.492	50	40	HGGB	
CCCc1n[nH]c2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2	4042756	LCLPBFROYPHOAO-UHFFFAOYSA-N	407.474	3.119	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OC)c2)N1C(=O)CCl	11692292	BDQGQFBZUCUNJC-RXVVDRJESA-N	412.873	3.431	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1	31783239	VXKYETWJFOTVDU-AVUYUYSKSA-N	424.526	3.303	50	40	HGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	108986892	ZUDXVQPPOMDAKW-KEBDBYFISA-N	410.342	3.134	50	40	HGGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409009151	XMWZQGXLKLWBLI-ZHZULCJRSA-N	419.481	3.087	50	40	HGGB	
COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)c1	409092792	WUBUHYAKUYQPPF-SRZZPIQSSA-N	409.354	3.326	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC#N	409382594	UOPZNRFHIJEVPM-PDGQHHTCSA-N	400.438	3.345	50	40	HGGB	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNc1nc(O)c3ccccc3n1)O2	1648629628	IMGSIURIHHXYOV-QFIPXVFZSA-N	408.458	3.193	50	40	HGGB	
N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2CCCC=C12	2300394	HXTPRPHSPNDIKK-VBKZILBWSA-N	420.270	3.149	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C1=O	4593056	RSENKQGFQBGRLI-WRWGMCAJSA-N	401.098	3.421	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	35168014	GWAHENNRMZHURW-MTJSOVHGSA-N	424.369	3.464	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	408782141	HXXATGXEFWAKHF-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COCC(F)(F)F)c1	996321	CAKRTJAZNYAGLH-MRXNPFEDSA-N	412.364	3.029	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c1	7593634	AOQPZNROTBPZHN-UHFFFAOYSA-N	420.465	3.293	50	40	HGGB	
N#CC1=C(S)N=C(S)[C@H]([n+]2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	12320991	VHMUVWYQGJEESQ-LSDHHAIUSA-O	414.448	3.122	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)cc1	408591413	SWMSGCHOVYTGLH-JHXRPTDYSA-N	405.454	3.064	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c(C)c1	408776241	XJXROZIIMXXPFY-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
CN1CCC(=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	408881435	MGMUEQXVAYENJB-HSZRJFAPSA-N	422.554	3.272	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1	408937597	KAAVPQBNUZLDTD-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCC3)c2C)cc1Cl	408970570	BQSDJTFJJNXRKA-YDZHTSKRSA-N	416.909	3.219	50	40	HGGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccccc3-n3cccc3)c2O1	5701654	XYLJWPCUTZYYJV-UHFFFAOYSA-N	405.454	3.031	50	40	HGGB	
CCCc1n[nH]c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2	5939358	CJILNAINDMSXPS-ZDUSSCGKSA-N	405.252	3.057	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	6292575	QYLPXTMFQUAGEZ-FOWTUZBSSA-N	410.890	3.400	50	40	HGGB	
CN1C(=O)[C@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21	6498927	BBDXIMDSJRRLGZ-NRFANRHFSA-N	403.829	3.079	50	40	HGGB	
Cc1ccc(-c2noc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2)cc1	7604826	RDVIKADXTSUMEZ-UHFFFAOYSA-N	402.863	3.252	50	40	HGGB	
Cc1cc(C)c(Cc2c(C)cc(C)c(/C=N/NC(N)=O)c2C)c(C)c1/C=N\NC(N)=O	12445154	ASGAAKYTYDNZMT-RRPCDLPWSA-N	422.533	3.132	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)c1	19948927	FGCRAFPGOOVLCX-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1	20059098	ZNRIAVQPBAGCRO-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(N/N=C/c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	33920632	UHWISUPLYSCLCV-KQQBXRMLSA-N	413.433	3.337	50	40	HGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1	100958846	TWJXWYHWFMSJGZ-WDZFZDKYSA-N	406.254	3.304	50	40	HGGB	
Cc1cc(C)c(C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)c(O)n1	104078916	DSBAKCVZHCWMNE-UUYOSTAYSA-N	409.317	3.452	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1	409006558	OZYZTHQRVKKCPS-BUVRLJJBSA-N	412.921	3.409	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)c([N+](=O)[O-])cc1OCc1ccccc1	705569	GZPZZWBGOKTRQI-YDZHTSKRSA-N	406.398	3.341	50	40	HGGB	
O=C(COc1cc(Cl)cc(Cl)c1)NNS(=O)(=O)c1ccc(Cl)cc1	1263581	SXKATFFLNLVVHG-UHFFFAOYSA-N	409.678	3.035	50	40	HGGB	
COc1ccccc1OCCCOc1c(Cl)cc(/C=N/NC(N)=O)cc1OC	4676619	YJNWLOHHBNQRFE-WSDLNYQXSA-N	407.854	3.207	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(F)cc1	4679796	PBLUIIXRHNRRIB-LGPHULDDSA-N	412.248	3.166	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)c(OCC)c1	5095410	RQOQLOSTFXAVJQ-SFHVURJKSA-N	403.442	3.487	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	8042751	RLQZWIBHFPUNKD-CIAFOILYSA-N	407.923	3.234	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c(OC)c1	9986134	DQRBAMAYRQIGLZ-GOSISDBHSA-N	418.409	3.041	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	20209508	CRNATMHKQHFDAS-FYJGNVAPSA-N	423.922	3.045	50	40	HGGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1	223161192	LCKVCFRMUKVAFX-IWIPYMOSSA-N	417.421	3.354	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21	408542883	LMQZIIJVKRFTFQ-DHDCSXOGSA-N	403.394	3.058	50	40	HGGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O	2429788	VGOSUIYGMUQHPK-DHZHZOJOSA-N	415.236	3.447	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)cc1OC	5323915	UQRRUBYEGONRGM-MRXNPFEDSA-N	416.455	3.087	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Br	12571856	GTLDIQWWVMOGAB-KEBDBYFISA-N	420.263	3.189	50	40	HGGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccccc1	19952216	LBNFVTYGTYDHGW-UHFFFAOYSA-N	409.895	3.056	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1	22357292	MOMBKSTZPCSBQK-VDMTXUJASA-N	423.494	3.019	50	40	HGGB	
Cc1ccc(C)n1-c1nc(CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)cs1	40142936	ACXGWJJRQABZMF-UHFFFAOYSA-N	412.515	3.342	50	40	HGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc2nsnc2c1	95456758	RNHYLGMSUORNDB-UHFFFAOYSA-N	404.451	3.198	50	40	HGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O	105838078	OKPYXIAVHSNVLV-FBTHGLLTSA-N	403.438	3.109	50	40	HGGB	
C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409128051	IIKYUVJNTSDHBL-OAHLLOKOSA-N	417.263	3.272	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C)cc1[N+](=O)[O-]	3084716	YOBXYTRTVXEULA-DJKKODMXSA-N	422.235	3.203	50	40	HGGB	
N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	8110755	ICPOXNBFEPYCRN-UHFFFAOYSA-N	401.444	3.049	50	40	HGGB	
O=C(N/N=C/c1c[nH]c2ccccc12)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	55252921	NTPCFVRDFXYJSI-ZVHZXABRSA-N	405.458	3.438	50	40	HGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c(C)c1	408908803	SCUUZCQVHCOMNI-CIAFOILYSA-N	401.419	3.099	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	3178523	WMNQEPQRAPYODA-WVISFHDSSA-N	404.239	3.091	50	40	HGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1	5156462	ZICSOJOERKVNOV-QGZVFWFLSA-N	402.410	3.090	50	40	HGGB	
CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C	12137361	OAASOBYRBDNTCV-HXUWFJFHSA-N	411.502	3.336	50	40	HGGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc([N+](=O)[O-])cn1	33352459	WHZWJZZIRMQBLC-ZVBGSRNCSA-N	414.761	3.365	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@@]2(C#N)C(=C(C#N)C#N)N2CCCCC2)cc1OC	35325215	FIQQPAPVEMDOQH-NFBKMPQASA-N	412.453	3.132	50	40	HGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1Br	55041082	ZLAQCLYBOCUPNR-UKTHLTGXSA-N	401.216	3.458	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Cl)cc1	59301865	KALLMGLMCRNOEA-VXLYETTFSA-N	412.671	3.296	50	40	HGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21	408676114	FLWTUZFAHXZAFP-ZVHZXABRSA-N	404.470	3.178	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1C	408871624	HXYVEIXABGTONN-SSDVNMTOSA-N	421.950	3.490	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1	12275390	CBQSXFFFWWPPQJ-VGSWGCGISA-N	408.479	3.347	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1	34771454	MKHVWUFRSJAHOA-XKZIYDEJSA-N	407.382	3.334	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	58823143	VYFRFBDVDRTIKD-WJDWOHSUSA-N	401.440	3.241	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)csc2C1	655596	ZPENMLJTAMWCIR-QEJZJMRPSA-N	404.532	3.327	50	40	HGGB	
Cc1ccc(-n2c(SCC(=O)NNC(=O)C3CCC3)nnc2-c2ccccc2)cc1	3335263	WZBZVPXUWPEPNO-UHFFFAOYSA-N	421.526	3.282	50	40	HGGB	
Cc1sc2nc(C3CC3)nc(SCC(=O)NNC(=O)c3ccco3)c2c1C	4218036	DGLRBOQJBRPUNN-UHFFFAOYSA-N	402.501	3.332	50	40	HGGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	4505164	VKNWRMNATOZRAG-CVEARBPZSA-N	406.442	3.468	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)Nc2cc(Br)ccc21	5424292	FKYLWGUBWOUGLW-LJQANCHMSA-N	414.259	3.006	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	12411666	VSUYQOAENDVRPT-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	13976382	XRTPFDDFFOPXDY-UHFFFAOYSA-N	419.934	3.352	50	40	HGGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)cc1OC	408580514	CCLPCBSYSNWDQV-VGOFMYFVSA-N	417.259	3.395	50	40	HGGB	
COc1cccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1	408786266	NOTZNJHNLCCGHJ-UHFFFAOYSA-N	415.515	3.245	50	40	HGGB	
O=C(COc1ccc(Cl)cc1I)N/N=C/c1ccccc1	880774	TVKBHXONSCXHID-GIJQJNRQSA-N	414.630	3.474	50	40	HGGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cnc2s1	958374	GFUIDXFYZYPTPT-QPSGOUHRSA-N	409.298	3.478	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1cccs1)C(C#N)=C(N)O2	2257112	OXUMXJMWZQSJSB-LJQANCHMSA-N	419.462	3.213	50	40	HGGB	
COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1O	5127907	AFWVHTCTIWAVFA-ZMOGYAJESA-N	401.422	3.019	50	40	HGGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(I)cc1	10476129	OPIQZBCRABUYKW-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OCC)c(OC)c2)cc1	20197902	VJEVGWODDRQJHV-OEAKJJBVSA-N	414.458	3.190	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c(C)o1	26773965	MGNQCYQOSRGWJP-LJQANCHMSA-N	413.518	3.410	50	40	HGGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2CCCCCC2)c2ccccc21	85892431	ZUCRGQPMLBQYEZ-FLFQWRMESA-N	406.486	3.009	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC	104129072	ZXHZVZMBQLDDFD-ZMOGYAJESA-N	403.438	3.358	50	40	HGGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	409012026	IMOYIBYALVZHGJ-LSHDLFTRSA-N	407.829	3.365	50	40	HGGB	
Cc1ccc(/C=N\NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c(C#N)c2C)cc1	409062595	XJEVRUUJFGCVGJ-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409132450	ZWCBAOOZSHBPBN-OALUTQOASA-N	408.479	3.237	50	40	HGGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1c[nH]c2ccccc12	1051991	JBTDKHLIVSBJKO-UFFVCSGVSA-N	418.238	3.335	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@@H]1[C@H]1C[C@@H]2[C@H](Br)[C@H]1Br	2206220	GZLDHLQJQPOCIY-LCHYWVRCSA-N	419.157	3.487	50	40	HGGB	
CC1(C)[C@@]2(C(N)=O)CC[C@]1(C(Br)Br)[C@@H]2Br	2281463	WRGBBEYNVBRDQZ-DWFIKQFRSA-N	403.940	3.158	50	40	HGGB	
O=C(/C=C/c1cccc2ccccc12)NNC(=O)CCC(=O)NCc1ccccc1	4679940	KCINGBXWNIISLK-BUHFOSPRSA-N	401.466	3.097	50	40	HGGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C1/C(=O)Nc2ccccc21	5948238	KZNRHMNWYMJZQY-UHFFFAOYSA-N	412.877	3.103	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1	9355249	MVRQFTSGYBLNQQ-WSDLNYQXSA-N	423.381	3.245	50	40	HGGB	
Cc1ccc2nc(COc3ccc(C(=O)NNC(=O)c4cccc(O)c4)cc3)cn2c1	10892679	XPSKUVOYEPBSJS-UHFFFAOYSA-N	416.437	3.002	50	40	HGGB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@]12CC[C@H](C[C@@H]1Br)C2	101779058	GXZUWSLPCHLNFS-WSTZPKSXSA-N	407.352	3.089	50	40	HGGB	
Cc1c(C(=O)NN=Cc2ccc(N(C)C)c(Br)c2)sc(N)c1C#N	408730161	OCTGZZCNNVZXST-UHFFFAOYSA-N	406.309	3.103	50	40	HGGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1O[C@@H](C)CC	409019237	YLJNGKQOEMXBCW-VJCPFXPRSA-N	404.248	3.337	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1O[C@H](C)C(=O)O	409245291	QLSQUKGEICLKLH-JNCAFBRLSA-N	407.426	3.102	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4F)c(=O)c23)C1	958201	SZMZLKYRRPAFIU-JYEJNAJNSA-N	412.490	3.433	50	40	HGGB	
O=C(COc1ccc2c(c1)OCO2)NNC(=O)c1sc2ccccc2c1Cl	2325497	DBYJGGRLOKVCFU-UHFFFAOYSA-N	404.831	3.123	50	40	HGGB	
O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1cccnc1	9491036	QWHVJPICBMBRKA-LGMDPLHJSA-N	418.840	3.198	50	40	HGGB	
CC1(C)Cc2c(sc3nc(-c4ccccc4)n(NC(=O)CCl)c(=O)c23)CO1	9660251	PDLOSJSVYBCDHB-UHFFFAOYSA-N	403.891	3.285	50	40	HGGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1	13381984	WUEHCCAHEPSYDN-UYRXBGFRSA-N	415.409	3.289	50	40	HGGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	59247874	FSYLKIDFDPVLNB-LSCVHKIXSA-N	409.442	3.266	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NC(N)=O	409230548	FISMGDGIIMRHGJ-QPEQYQDCSA-N	418.222	3.269	50	40	HGGB	
N#C/C(=C\N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(Cl)cc1	2513627	MZSYTUAHKUNBFV-SAPNQHFASA-N	405.882	3.440	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	2583000	LHUVSBBFFSLTHN-HNNXBMFYSA-N	405.322	3.491	50	40	HGGB	
COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)cc1	3335547	SYQVARYLTUKNEC-DHRITJCHSA-N	419.437	3.220	50	40	HGGB	
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)on1	12791762	ASMDDHMEAGRQAM-UHFFFAOYSA-N	412.427	3.258	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	20248594	ICPDKAPRAUFFDC-FSJBWODESA-N	422.312	3.355	50	40	HGGB	
Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1ccc(CSc3nncn3C)cc1)C(O)=N2	40161303	CYVVKZAPJHMDGK-UHFFFAOYSA-N	420.498	3.460	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1C	408615122	MDBVAZVQQKOBIS-CYBMUJFWSA-N	420.296	3.424	50	40	HGGB	
CCC[C@H](OC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)C(=O)c1ccccc1	408684522	NRCAHVBAMPZAMF-VITVNWPHSA-N	421.287	3.152	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC2CCCCC2)o1	409379980	DXINEIBATJDEGY-WSDLNYQXSA-N	400.435	3.236	50	40	HGGB	
O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccco1	1098652	ONTBFQREGYURIT-RCQWFYMDSA-N	402.406	3.373	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)n1	1101026	WZMRHPAWXCQRKL-LPYMAVHISA-N	408.531	3.193	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	1262713	JNPGWXMUAIBLTD-IBGZPJMESA-N	419.462	3.213	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)Cc1ccc(Br)cc1	37390784	DZCGJPTYNGDMGY-GRSHGNNSSA-N	422.235	3.067	50	40	HGGB	
Cc1cc(NC(=O)N/N=C/c2ccccc2OCC(=O)O)ccc1Br	4681087	KLENDGQFKCUTCI-DJKKODMXSA-N	406.236	3.377	50	40	HGGB	
COc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	5352999	MQVNKMMMHYOWDA-OEAKJJBVSA-N	411.462	3.156	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1	7403745	GVKPGGMRQJBMNN-UHFFFAOYSA-N	400.456	3.099	50	40	HGGB	
Cc1csc(C2=C(N)NC(SCC(=O)N3CCC3)=C(C#N)C23CCCCC3)n1	103161770	ALSWCVCSXLZTCQ-UHFFFAOYSA-N	415.588	3.333	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)OC(C)C	408600965	HVTLWCUIZFYGOP-BOPFTXTBSA-N	400.475	3.381	50	40	HGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OC(C)=O	408759731	KLLCKSKJZOROOZ-KEBDBYFISA-N	405.248	3.455	50	40	HGGB	
CC(=O)Oc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	408763062	RATYKCPTFSNCCY-AFUMVMLFSA-N	413.433	3.230	50	40	HGGB	
CCN(CC)C(=O)Cn1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c2ccccc21	409195653	RKSKSWUQAUQRHK-YNYZQSIGSA-N	415.497	3.267	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	409220334	XBQBQZMYRVDWFB-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
COC(=O)[C@@H]1C2=C(C(=O)C[C@@H]1c1ccccc1)[C@H](c1ccccc1)C(C#N)=C(N)O2	1616031321	LBCHRUKIOPRPLZ-AHRSYUTCSA-N	400.434	3.294	50	40	HGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2ccco2)cc1	907301	LQIVUVPCCYZQGW-UHFFFAOYSA-N	402.410	3.216	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1C	2176140	PICPPEGZYAJXBJ-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OC	5549245	WZMVEZGNDBDZTJ-KEBDBYFISA-N	407.264	3.304	50	40	HGGB	
COc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(C)C	20219020	RDWYUMOIBACSHC-SIKLNZKXSA-N	417.513	3.085	50	40	HGGB	
COc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	102636111	TUVGWDJKRSPHGI-DBIOUOCHSA-N	417.097	3.122	50	40	HGGB	
NNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(I)c1	226333437	BEPQRSJBCQSSLI-FNORWQNLSA-N	412.202	3.012	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C	408709273	YVTOXQMVLDLLAK-SSDVNMTOSA-N	417.307	3.396	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	409130248	KYMHZTYSGNAZQC-HZHRSRAPSA-N	419.522	3.430	50	40	HGGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)c1	12275810	DMDQZLMOILSKQJ-XMSQKQJNSA-N	408.479	3.347	50	40	HGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccccc2)cc1	23375037	FPNNXDMIDZZELU-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(Cl)cc2)cc1	408908992	ZTYAJQPPNHNIHH-UHFFFAOYSA-N	409.895	3.056	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc(I)c2)c(OC)c1	8404176	NVDCLPBLBJOXLE-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C(F)(F)F)cc1	4155230	XAFXVHUXHODXCG-KSEXSDGBSA-N	408.336	3.179	50	40	HGGB	
Cc1cc(=O)c(C(=O)NNc2ccccc2C(F)(F)F)nn1-c1ccccc1F	39994061	XBRXPQSUENJNTE-UHFFFAOYSA-N	406.339	3.456	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4C=CC(C#N)=C[C@H]4[C@@H]3C2=O)cc1	199101755	QXAZVKPNPDQSMN-CMOCDZPBSA-N	409.445	3.014	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1cccc(C)c1	1093761	UCPPDRBIBYMBRU-DHRITJCHSA-N	418.453	3.180	50	40	HGGB	
O=C1/C(=C\Cc2ccccc2)SC2=[N+]1C[C@H](CI)S2	4280923	VRXLRXCJCGVXLN-WBOGTDJTSA-N	402.302	3.305	50	40	HGGB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNC(=O)c1cccc(Br)c1	1052034	GGVAWMVVOPYBGN-GZTJUZNOSA-N	413.275	3.299	50	40	HGGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21	6498928	BBDXIMDSJRRLGZ-OAQYLSRUSA-N	403.829	3.079	50	40	HGGB	
O=C1c2c(sc3c2CCCC3)N[C@H]2S[C@@H](CI)CN12	26895261	YIHAABDNQBXSEX-WPPNPWJKSA-N	406.314	3.329	50	40	HGGB	
COc1ccc(-c2cc(C(=O)NN)c3cc(Br)ccc3n2)cc1OC	226360245	RKVLJAZGHQBZSH-UHFFFAOYSA-N	402.248	3.285	50	40	HGGB	
Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	409158485	OTDBWCLEVDJZQL-MSXFZWOLSA-N	420.425	3.352	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O	2405252	IFNPCHJMZXNPAN-SFQUDFHCSA-N	402.454	3.455	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c1C	15231324	XYPFJTYBAKCXEN-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1OC	33957681	SWICLUTWCUJWGN-CGOBSMCZSA-N	403.653	3.405	50	40	HGGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1	408860160	SSHOZSHJKCQUKW-JNJFRLMHSA-N	405.248	3.335	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	409049968	ZAYRFVLZCOABGJ-YDZHTSKRSA-N	422.441	3.114	50	40	HGGB	
Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@@H](CI)C3)s1	2056226748	ZAGCZCUCKOIHGK-GFCCVEGCSA-N	420.316	3.206	50	40	HGGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1OC	1445120	VKZNZGZCWSOOET-ZICWZVMQSA-N	407.264	3.384	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC	2324095	ROZKYIUZVCRBQD-IBGZPJMESA-N	406.438	3.486	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2)nc2c(C)cccn2c1=O	2399930	AODQTFJXRWENHX-SDNWHVSQSA-N	408.845	3.492	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccs2)cc1Br	4513473	IFRXWCVSLHPREF-GIJQJNRQSA-N	411.277	3.216	50	40	HGGB	
O=C(N/N=C/c1ccccn1)C1CCN(Cc2ccc(Br)cc2)CC1	5649121	NTZAISHDODJZQC-LPYMAVHISA-N	401.308	3.206	50	40	HGGB	
CCCCN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21	5737854	ZTAJDGUPSSZFKS-PGMHBOJBSA-N	401.264	3.125	50	40	HGGB	
CCOc1cc(Cl)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	6958458	ZDPMEHXDBKPRNP-AWQFTUOYSA-N	408.911	3.397	50	40	HGGB	
CC(C)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926816	SPFAGVVCAWPQCV-DEOSSOPVSA-N	413.433	3.168	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O	59475519	QXROXCFYRZFEHG-GZIVZEMBSA-N	415.755	3.162	50	40	HGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc(Br)c2)cc1	100522586	BDEKFHOTJLFZDC-LPYMAVHISA-N	418.291	3.270	50	40	HGGB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1OC	408605269	LLUGHRPUCDWIJT-INIZCTEOSA-N	414.487	3.040	50	40	HGGB	
COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)/C(C#N)=C/c1ccccc1	408754421	UGIGQCALXZHVEG-QGOAFFKASA-N	408.479	3.215	50	40	HGGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c[nH]c4ccccc34)s2)cc1	1502378	OVCSHUMLDKMFCX-FSJBWODESA-N	418.482	3.273	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1Br	2283176	VNPDMPBPSSCVEY-LSHDLFTRSA-N	413.275	3.119	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1OC	7393257	GJXVTQNRWHIBMF-UHFFFAOYSA-N	418.457	3.206	50	40	HGGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21	8670818	AKGNOLADRYTUBR-QFIPXVFZSA-N	417.856	3.469	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1O	106102464	XGXCGBFWLDMHAK-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(C)(=O)=O	408784694	RVMKSQQUGSPFGI-KGENOOAVSA-N	407.923	3.209	50	40	HGGB	
O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	2017700	BFBCCLYKDHXMNO-LPYMAVHISA-N	404.382	3.317	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1	4453447	TYZOVZFAIFWAMM-PKOBYXMFSA-N	419.460	3.486	50	40	HGGB	
Cc1occc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1	40140392	HLKZMBOZOYCTFU-UHFFFAOYSA-N	403.232	3.344	50	40	HGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCCC2)cc1	409161531	VEWFMMBSDFPBSP-NBVRZTHBSA-N	405.454	3.242	50	40	HGGB	
COc1ccc(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c(O)c1	4359274	WZCZHFLMPREZKV-NFZXXJEJSA-N	415.449	3.322	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1	7960691	FFDGCXKKZHHATN-UHFFFAOYSA-N	402.450	3.374	50	40	HGGB	
O=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1ccccc1F	12569082	UZQRRNRCSIRXKZ-UHFFFAOYSA-N	407.776	3.446	50	40	HGGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21	100395654	JIWRIBWTDWQJMF-LTGZKZEYSA-N	416.662	3.216	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1C#N	408735302	QCGFEJWATGVLMQ-IOAQBMTJSA-N	417.465	3.348	50	40	HGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(O)c(I)c1	408904013	CIDDCCKMROVTRI-GIJQJNRQSA-N	410.211	3.078	50	40	HGGB	
COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)N(C)c2ccc(Br)cc21	409116641	LTGZGPCYEYOEJD-LGMDPLHJSA-N	412.243	3.350	50	40	HGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	4894489	QYSHJXNKPONAIG-KEBDBYFISA-N	407.514	3.288	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(=O)OC	8812421	ZZDNFOIUMGRHTA-LSHDLFTRSA-N	408.813	3.194	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC)c2)N1C(=O)CCl	11692291	BDQGQFBZUCUNJC-GHTZIAJQSA-N	412.873	3.431	50	40	HGGB	
COc1ccc([C@H]2N(C(=O)CCl)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1	12867512	FPZVDOFXPPHVNU-FQEVSTJZSA-N	422.934	3.164	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1Br	20760265	NIOYFGILDYFZFP-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
CN(CC(=O)N/N=C\c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1	33481173	IWUUQZCQFDDIRO-XKZIYDEJSA-N	415.902	3.264	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1	36144997	PEWLQHPRHIFUHB-JJFYIABZSA-N	404.850	3.200	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(O)cc2O)cc1	408813207	ORYNBEMNNSICCG-MLPAPPSSSA-N	403.232	3.092	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1O	752929	XXBJAFBUOGQRKZ-DHRITJCHSA-N	413.437	3.412	50	40	HGGB	
CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(I)cc1	4402115	HADGHFMSVFZSGW-WOJGMQOQSA-N	401.248	3.302	50	40	HGGB	
C[C@@H](CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)NC(=O)c1ccccc1	22975087	KMILWEOBSDXSMR-HNNXBMFYSA-N	413.543	3.377	50	40	HGGB	
O=C(Cc1cccs1)N/N=C\c1ccccc1OC(=O)c1ccc2c(c1)OCO2	30738428	CJWMHYWYIHWPOS-UUYOSTAYSA-N	408.435	3.389	50	40	HGGB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c(OC)c1	408605204	KXXNREMVMWKSSS-QGZVFWFLSA-N	414.487	3.040	50	40	HGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1	408907255	NONKCTYWLHPIED-CNRHGSOZSA-N	423.922	3.044	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(Cl)cc1	675803	OHOWSDJCMPJKPR-KEBDBYFISA-N	401.879	3.084	50	40	HGGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	4702540	VIKYLSFMMKFJFA-ZVHZXABRSA-N	402.406	3.327	50	40	HGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20761075	VTHPWMXINRVSEK-UFFVCSGVSA-N	414.259	3.341	50	40	HGGB	
NNC(=O)CN[C@H](c1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccccc1	97165207	AUZSHVOWPABSTM-OAQYLSRUSA-N	408.889	3.261	50	40	HGGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1	1104248	LCMCJMURQKTIOR-OEAKJJBVSA-N	407.426	3.460	50	40	HGGB	
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1	6679924	PQQNEYSZLRTIKZ-DUPVFGOHSA-N	406.394	3.095	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1OC	12276322	NHEKHACVOXRXGW-OALUTQOASA-N	408.479	3.366	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	19947652	NFRPBFBFWPVYMH-XQNSMLJCSA-N	423.494	3.041	50	40	HGGB	
CCN1c2ccccc2C2=C([C@H](c3ccccc3OC)C(C#N)=C(N)O2)S1(=O)=O	20558373	BGBFZQLYVHPKNM-GOSISDBHSA-N	409.467	3.041	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2ccccc2F)c(C)n1-c1ccc2c(c1)OCCO2	28277747	SDKITFLDDRYQDF-UHFFFAOYSA-N	409.417	3.079	50	40	HGGB	
O=C(N/N=C\c1cc(Br)ccc1O)C(F)(F)C(F)(F)C(F)(F)F	32115636	HEHIEHDTTIEAHK-YQLNASGTSA-N	411.071	3.438	50	40	HGGB	
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1COc1ccc(NC(C)=O)cc1	33352402	RLTWKIYZXUSXFC-QFEZKATASA-N	418.453	3.392	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	102066120	ILIHAQRYFFVASO-UQPQVDFHSA-N	413.109	3.277	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408706891	DTVLWWSOOFUJKV-SSDVNMTOSA-N	419.254	3.084	50	40	HGGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1	408804876	ZUUPLTFAMPNWGW-NTUHNPAUSA-N	416.817	3.366	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)CSc2nc3cc(C)ccc3cc2C)c1	4126506	PIOJFNBHIAWSCG-UHFFFAOYSA-N	409.511	3.479	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(Cl)cc1	9235520	LHJFZDKUXRERMK-UFFVCSGVSA-N	423.698	3.432	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	16758949	JXMAOVQKYIURTI-JQSQVVPISA-N	401.850	3.391	50	40	HGGB	
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1cc2c(s1)CCCC2	32755094	FSSGRVXAPPYVSO-AWEZNQCLSA-N	417.556	3.002	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1O	409355848	FKEUIKLHTOFTMY-ZVBGSRNCSA-N	410.243	3.255	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc(Cl)cc1	2440793	DAVJDDVFQHIPNJ-WSDLNYQXSA-N	411.801	3.241	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Br)c2)c1	3084193	DWKYNKOCPQVYGE-UDWIEESQSA-N	404.264	3.327	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1OC(C)=O	6014826	UGQMBVGCVDEQFU-MRXNPFEDSA-N	408.439	3.290	50	40	HGGB	
O=C(N/N=C/c1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	6889037	VRVCOENTGBJRJG-UFWORHAWSA-N	402.823	3.281	50	40	HGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1csc(-c2ccccc2)n1	8327105	JVRVFFYKYYRXBH-UHFFFAOYSA-N	401.875	3.232	50	40	HGGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1	58911715	RTCWRNLQGDTRNW-WGOQTCKBSA-N	418.497	3.259	50	40	HGGB	
CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)SCCS1	408592488	YOGOIKBQINGUJZ-OVCLIPMQSA-N	404.311	3.394	50	40	HGGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(Br)o1	711071	YOOKKSRWWPSPBG-FRKPEAEDSA-N	402.042	3.334	50	40	HGGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2cc(OC)cc(OC)c2)C(C#N)=C(N)O3)cc1	8382633	RSAPFHKQZMEQEE-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NNC(=O)c1cccc([N+](=O)[O-])c1	14204002	BAGHQBNSMWXHPO-UHFFFAOYSA-N	414.805	3.297	50	40	HGGB	
CCOCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1	408709192	YLGSKVLZHKHJSI-ZVHZXABRSA-N	416.909	3.385	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cccc1[N+](=O)[O-]	408825385	AITBUOKMRASXPO-VXLYETTFSA-N	405.252	3.496	50	40	HGGB	
COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)c1	408969187	ITIDUNICCKYWFD-PGLVWIQMSA-N	411.502	3.064	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(C)(=O)=O	409116123	LSQFPMJPOIYDDH-VXLYETTFSA-N	400.287	3.153	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccc(F)c1	409138524	DCQOAKBULPRSKS-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409236426	GAYWWORWMKCGMJ-KSEXSDGBSA-N	422.840	3.122	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1	6166337	BJJQWBHDYKGPPS-GSIMBWOISA-N	424.526	3.303	50	40	HGGB	
COc1cc(Br)cc(/C=N\NC(=O)COc2ccc(C)cc2C)c1O	13955326	UHUSPRXEEUIWPV-UKWGHVSLSA-N	407.264	3.309	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	19851534	OEDWFGBVCNIILD-ZMOGYAJESA-N	410.905	3.125	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](Br)[C@@H](Br)C[C@@H]32)cc1	104278146	LTYZJLPKSJCINJ-ZZVYKPCYSA-N	423.170	3.305	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1094407	HZWZBMQOVQPKTD-ZVHZXABRSA-N	414.377	3.450	50	40	HGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccn1)c1cccs1	3185061	UODRIKSSIWVWEJ-CPUXBYDOSA-N	417.494	3.116	50	40	HGGB	
CC1(C)Cc2cccc(OCC(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2O1	6032775	QVMJVJRPPJCILD-UHFFFAOYSA-N	419.437	3.164	50	40	HGGB	
Cc1ccc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(O)c1	15134308	CUVWLOJUIQDGBT-YSMPRRRNSA-N	401.466	3.099	50	40	HGGB	
Cc1ccccc1C(=O)NNC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2	95957889	PSBXWDSITAIRAR-IBGZPJMESA-N	401.875	3.038	50	40	HGGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(I)c1	408773152	PKXVECZSBDNKRR-LICLKQGHSA-N	409.183	3.353	50	40	HGGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	6889750	AUAROWNADAWDKN-JVWAILMASA-N	419.456	3.214	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Cl)cc1	7882465	UXEAYMCVXGIRLJ-MRXNPFEDSA-N	407.857	3.307	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccccc1Cl	9232170	PNQXYCYZQNHTEN-WYMPLXKRSA-N	417.893	3.150	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc([N+](=O)[O-])c1O	36040292	BLRIMLPHWMZFCV-GOSISDBHSA-N	419.397	3.021	50	40	HGGB	biogenic,in-vitro
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)C(C#N)=C(N)O2	409127280	CGWPJPUHVRJDFR-IBGZPJMESA-N	403.398	3.424	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1	4830458	WSKISGCJQJFNNT-PTNGSMBKSA-N	414.874	3.109	50	40	HGGB	
CCOc1ccc(OCCC(=O)NNC(=O)c2ccc(Br)cc2)cc1	15343083	ZPFBGFQRJAVJEU-UHFFFAOYSA-N	407.264	3.078	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	408938070	KPXRVVJUMAHJSK-FSJBWODESA-N	423.404	3.230	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(Br)c1	5467297	APIJKVLICDHHGH-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1c[nH]c2ccccc12	8684595	XCYKRCGVIRXOJY-PGGKNCGUSA-N	419.268	3.120	50	40	HGGB	
Cc1cccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)c1	4944738	JEGDEYKGRVWDPA-RUZDIDTESA-N	410.477	3.430	50	40	HGGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1	10118503	HPTAOUZGEPKWJH-XDHOZWIPSA-N	404.207	3.067	50	40	HGGB	
C[C@@H](C(=O)N/N=C\c1ccccc1O)n1c(-c2ccccc2)nc2ccccc2c1=O	54209169	ZWZCQSAYOCGVHK-GMQKBEEJSA-N	412.449	3.480	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1C	20209380	SUFUSXZBMKKUPI-SRZZPIQSSA-N	407.923	3.182	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c1	20208385	NGKWKRRWWBZKBH-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2ccccn2c1=O	13768435	LUWVQDWDMGBEOH-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	409260636	TVFKIEJQCUGWNF-LSPPGFKNSA-N	409.486	3.377	50	40	HGGB	
N#C/C(=C\c1cc(Cl)c(OCC(N)=O)c(Cl)c1)C(=O)NCc1ccccc1	409219437	MMOMUTKKEUDYSR-MKMNVTDBSA-N	404.253	3.081	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2Br)c1O	36236336	CMFWPDNRZRZDSN-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1	39986597	NIYFNXVSKOECGZ-JMIUGGIZSA-N	414.314	3.073	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1O	59333290	HMBPALLDLWSGFG-HKWRFOASSA-N	403.482	3.385	50	40	HGGB	
O=C(CN1CCCCCC1=O)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	12778343	YNRGSISTAQGWRV-OAQYLSRUSA-N	411.527	3.070	50	40	HGGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1	3470100	YEGRYWBKIMCTMF-CIAFOILYSA-N	409.870	3.028	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21	7781576	CNIFRWQZFCYFOM-UHFFFAOYSA-N	401.810	3.001	50	40	HGGB	
O=C(N/N=C\c1cc(Br)c(O)c(Br)c1O)c1ccccc1	83326483	MKOIUHGINSFONC-IDUWFGFVSA-N	414.053	3.387	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccco1	1435327	DKGQPXHOKVZGOO-BTVXTAIASA-N	408.410	3.081	50	40	HGGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1C	58911753	GKZKQQDZVALYRQ-CVKSISIWSA-N	402.498	3.477	50	40	HGGB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1OC	408605271	LLUGHRPUCDWIJT-MRXNPFEDSA-N	414.487	3.040	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O	408771442	GVXJLMYIVHBZFX-HZHRSRAPSA-N	409.511	3.319	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1	408909881	ISKLADXONFAGRF-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	8372182	JHAWXRLGJKNHBT-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1	4453072	YYWACJQNYMGLJI-SFHVURJKSA-N	404.426	3.408	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2cc(Br)ccc21	5791768	PJHLVWIFTXUPGR-PYCFMQQDSA-N	416.275	3.023	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2)cc1	19869037	LGXBZNQMFGUKRN-JJEHFPDLSA-N	419.481	3.215	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cccc(OC)c3)c2C)c1	223155807	QEGYDIMICDRTID-OYKKKHCWSA-N	420.469	3.200	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c1	19947852	MWIYBPUHEUIACH-HZHRSRAPSA-N	423.494	3.046	50	40	HGGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C(Br)=C\c1ccccc1	4721344	JFWCXHUJXULPSR-ABEVYWEYSA-N	412.287	3.054	50	40	HGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccncc1	27519483	XYIXHANHDGMTPK-CIAFOILYSA-N	407.342	3.454	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	58911912	OFLBDAQMWGFJAO-SCELWYEFSA-N	418.497	3.430	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1	100887931	NQQYYZQMAOBKSB-QRVBRYPASA-N	423.469	3.307	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OC	408890907	IHCKVELKULTQKZ-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(O)c(OC)c2)sc(C(C)=O)c1C	1787781	XDVQARBLRQNXLH-AWQFTUOYSA-N	419.459	3.306	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1	6214642	NCNQCIDTYDLRHJ-HYARGMPZSA-N	410.451	3.232	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(I)cc2)cc1	58655165	AUGMIJFRUGYCLI-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O	408776522	ZYWCCRXGTJIVKI-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1O[C@H](C)C(=O)O	409232722	BOELNABNPUIASY-QKIXXSFTSA-N	407.426	3.102	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2cccnc2)ccc1OCc1ccccc1Cl	8270901	TUBJTAOATCZVTD-UHFFFAOYSA-N	411.845	3.397	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)NN[C@@H](C(=O)N1CCCCC1)c1ccccc1	15510524	RXVVAUQAAPVSNU-LJQANCHMSA-N	401.894	3.337	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CN[C@H](c2ccccc2)c2ccc(C)cc2)cc1	19536092	NOSSDSIABWLAKV-HSZRJFAPSA-N	403.482	3.144	50	40	HGGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	59101836	QUDHOQSAJQVAEQ-CVKSISIWSA-N	405.429	3.171	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1C	408615225	NRDVESCHDVVWFK-GOSISDBHSA-N	407.514	3.415	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409053578	NCOQITKHXXSXIS-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	101139527	VOPIJSAHMVYJFN-ZZWKFIDSSA-N	413.109	3.277	50	40	HGGB	
O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1	2623874	UYZWOCZFSDDSSC-UHFFFAOYSA-N	400.243	3.455	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cc(Cl)ccc1Cl	409024690	NLRGSACPOBNUAF-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(OC)c1	4750810	ZBSUGGFBYQFNFL-AFUMVMLFSA-N	415.449	3.322	50	40	HGGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cc2ccccc2cc1OC	7138587	SXJYHAXRYSKTDS-UHFFFAOYSA-N	402.454	3.222	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	136730097	VKRZIUJMLXMJSN-UUYOSTAYSA-N	402.834	3.142	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Br)cc1	408607660	UFPHLUCACPSYGF-AWEZNQCLSA-N	419.304	3.397	50	40	HGGB	
Cc1cc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)c(C)s1	691084	FILXJMWYPOMFPV-LJQANCHMSA-N	412.559	3.348	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)cc1	3090627	ZCMSNXPCIAZHST-YDZHTSKRSA-N	405.410	3.123	50	40	HGGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1	16839293	UDCWVYRHVJIOOI-UHFFFAOYSA-N	411.461	3.054	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1OCc1ccc(C(=O)O)cc1	409185052	QRLXJNRESJFABE-ZMOGYAJESA-N	420.421	3.442	50	40	HGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21	409223020	FXQJJKMDJMJYLO-RGVLZGJSSA-N	405.545	3.241	50	40	HGGB	
CCc1ccc2c(CC(=O)NNC(=O)Cn3c(CC)nc4ccccc43)coc2c1	6982148	WZDKECPKZXTKKA-UHFFFAOYSA-N	404.470	3.297	50	40	HGGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)c1cc2ccccc2o1	15228797	YDCBBWZUAXRNIB-JAIQZWGSSA-N	418.247	3.389	50	40	HGGB	
Cn1nccc1/C=C/C(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1	40069365	KWNAJUSAQACEHZ-DHZHZOJOSA-N	410.861	3.127	50	40	HGGB	
O=C(CN1CCN(c2ccccc2O)CC1)NN(c1ccccc1)c1ccccc1	57601027	JBGGALMANGLZIX-UHFFFAOYSA-N	402.498	3.384	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccc(O)cc1	1421676	WXRXNCGWWNTIRX-LPYMAVHISA-N	405.366	3.284	50	40	HGGB	
O=C(N/N=C/c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	3767000	MPGGWHBIDVQVCP-UFWORHAWSA-N	402.823	3.281	50	40	HGGB	
CCN(CC)c1ccc(CNC(=O)C/C(C)=N/NC(=O)COc2ccccc2C)cc1	4180645	AOZXBUAUBGQFQL-LGUFXXKBSA-N	424.545	3.419	50	40	HGGB	
CCCc1nc(SCC(=O)NNC(=O)c2ccco2)c2c(C)c(C)sc2n1	4241167	ILVMQALGFNNKKJ-UHFFFAOYSA-N	404.517	3.407	50	40	HGGB	
Cc1ccc(CN2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	7653187	CRTKBNFCOZCZCR-LJQANCHMSA-N	407.514	3.102	50	40	HGGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2cc(Br)ccc21	8993773	DRXVEEDFSGFUPC-LTGZKZEYSA-N	416.662	3.216	50	40	HGGB	
CC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3C(C#N)=CNN32)cc1	13693762	PKVLNWJRFQLQBK-NRFANRHFSA-N	412.453	3.239	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(N)=O)c2C)cc1I	16347018	UXPBLZVKMAADEK-AUWJEWJLSA-N	405.239	3.399	50	40	HGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1	18188069	ZTEQHFIPXDQSEH-BSYVCWPDSA-N	400.394	3.276	50	40	HGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1	101533540	FIMNAUDEXGBJGE-AFUMVMLFSA-N	400.438	3.299	50	40	HGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O	408782774	JMUFVQFQCZUISO-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
O=C(N/N=C\c1cc(I)c(O)cc1O)c1cc2ccccc2o1	408851877	AZSJTOAUKYJSIC-LSCVHKIXSA-N	422.178	3.213	50	40	HGGB	
O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NNC(=O)c1ccccc1	7654648	GUYRFROKDSOHKG-UHFFFAOYSA-N	406.822	3.312	50	40	HGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC	1452896	WMALWMLHHZXTKG-UKTHLTGXSA-N	411.483	3.289	50	40	HGGB	
Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NNC(=O)c1ccccn1	40142853	WFWVNZIOISYNRO-UHFFFAOYSA-N	418.284	3.195	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2251956	YSBDCNWWYWADDF-LJQANCHMSA-N	404.857	3.472	50	40	HGGB	
CCOC(=O)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OCC)c1	4526011	HEACBZSEANJDTJ-UDWIEESQSA-N	401.375	3.293	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C\c2ccccc2C)c(I)c1	9948543	WJSBEGCZWXVTSD-GRSHGNNSSA-N	424.238	3.137	50	40	HGGB	
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C#N)cc2)cc1	14922293	KOCDYOFTBNKSRW-BIOSWABKSA-N	424.460	3.488	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)NC1CCCCC1	100978955	MEPXDWRYQHZXCU-FOKLQQMPSA-N	413.305	3.263	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1C	408614408	BXCKTVJVFHQOQS-CQSZACIVSA-N	420.296	3.424	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C	408707096	GVTHXDISZKZOAJ-SSDVNMTOSA-N	417.307	3.396	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1	408772460	LUWSJJFXUYFONN-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1cc(C(=O)N/N=C2\C(=O)Nc3c(Cl)cc(Cl)cc32)cc(OC)c1OC	2675580	VZQFREZESZVIEL-UHFFFAOYSA-N	424.240	3.105	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(=O)O	408971373	JGDFHGRMTLTNTI-SSDVNMTOSA-N	412.398	3.067	50	40	HGGB	
O=C(CCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2	31719654	WCVRUKZIHPKZDL-OTMNIUQESA-N	416.525	3.435	50	40	HGGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc([N+](=O)[O-])cc1	13552502	VQTUKRVVDWDFSA-DEDYPNTBSA-N	410.459	3.023	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC(C)=O)cc2)c(OC)c1	2889823	TWRGKWRUDTVCBX-LDADJPATSA-N	420.421	3.049	50	40	HGGB	
CC(=O)N(/N=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2c(=O)n1-c1ccccc1	13142447	FLDJSJIEPCUBHQ-XKZIYDEJSA-N	417.381	3.274	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)c1	19948318	HFNNZSJFXINNSJ-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408607525	SWRLOOYMHYSWFD-GOSISDBHSA-N	411.531	3.481	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2251955	YSBDCNWWYWADDF-IBGZPJMESA-N	404.857	3.472	50	40	HGGB	
COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccccn1	5267369	BLMMGNSKDNNJTE-UHFFFAOYSA-N	414.259	3.010	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(I)cc2)cc1	13939854	DMAVOKKGKIBHAU-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
O=C(CCc1cccs1)NNC(=O)COc1ccc(OCc2ccccc2)cc1	17239328	RHZHHROYIRQBHU-UHFFFAOYSA-N	410.495	3.486	50	40	HGGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCOCC2)cc1	23358556	YRCTUMAAKLLZGR-FYJGNVAPSA-N	402.292	3.045	50	40	HGGB	
CCn1c(NNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)nc2ccccc2c1=O	24907471	FPRVSNZDCIUKCQ-UHFFFAOYSA-N	422.876	3.321	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@H]34)c2)cc1	33619177	SCTNEGOSXZHFPX-OYERUFNISA-N	411.483	3.178	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1	102751422	DGIJRUBUKCMFBX-CEXWTWQISA-N	405.479	3.086	50	40	HGGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2OC)cc1	408735046	MVXJXZFTIYJQDB-PRWBYUBPSA-N	422.481	3.485	50	40	HGGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)ccc1O	409005753	LCVURPJPOHSSFU-YDZHTSKRSA-N	415.877	3.057	50	40	HGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1	2245466	BVMWRCXWSHOJMV-FQEVSTJZSA-N	419.437	3.033	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(I)cc2)c(OC)c1	6646219	PKLVESUMNNZYOH-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(I)cc(C)c1O	8986618	UHLYNSHWJNSAFS-AWQFTUOYSA-N	423.254	3.176	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1cccs1	20211493	GYMYGJLEPOLZBT-VCHYOVAHSA-N	420.343	3.361	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c1C	30838776	PKHOGVGDHGDWGL-OCKHKDLRSA-N	424.238	3.143	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1	40080022	ZPVVMKOCHKXIHE-HNNXBMFYSA-N	408.289	3.148	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(C)cc1	408771962	LUYSRLXCDSEVAD-OQKWZONESA-N	401.532	3.425	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	408841625	FUXWAYUYHIRVGB-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	408981139	UVIQBZSGTZWEKP-PXMCARDJSA-N	415.449	3.427	50	40	HGGB	
N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NC(N)=O	409250745	RZDJVPAOIKREAD-QPEQYQDCSA-N	418.222	3.269	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1O[C@H](C)C(=O)O	409252475	RZPKKPWAUDUJAK-JNCAFBRLSA-N	407.426	3.102	50	40	HGGB	
COc1cc([C@@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)ccc1O	3669628	BQYSADGSBKRNIA-INIZCTEOSA-N	424.478	3.216	50	40	HGGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31854656	LJRQUJHDAKXHOB-IEKMCCSYSA-N	424.526	3.132	50	40	HGGB	
CC(C)C[C@H]1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC(=O)N1	95468785	OYLHNCPAQNQSPP-HOTGVXAUSA-N	405.564	3.109	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(CC)cc3)[C@@H]2C1	803741	WVUISOZSNLXKEM-UXHICEINSA-N	401.470	3.131	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	829290	OSMDAAUDZPUFSU-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	3210703	CARWUOMTRRBZPE-HZHRSRAPSA-N	418.457	3.453	50	40	HGGB	
COc1ccccc1C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccccc2C)n1	11915399	AFWIGHQMCGCDSY-UHFFFAOYSA-N	411.849	3.456	50	40	HGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1	16215260	VCJLOXKTEGNNLJ-GOSISDBHSA-N	418.409	3.041	50	40	HGGB	
COC(=O)N/N=C(/C)c1sc(-c2nc(C)c(/C(C)=N\NC(=O)OC)s2)nc1C	17211853	ZGOPZMBFURLQGR-QJUDHZBZSA-N	424.508	3.043	50	40	HGGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)c2cccc(O)c2)c(OC)cc1Cl	100767606	YXLRLCKUMVNJTE-SSDVNMTOSA-N	405.838	3.197	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	1497113	FBZHBRIJIMNYBL-BUVRLJJBSA-N	404.422	3.444	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1Cl	4514808	QSAIABUBVGQQHW-FOKLQQMPSA-N	412.829	3.486	50	40	HGGB	
COc1cc(Br)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	7893432	JZTTZTZOMLAVCX-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	58914402	AHGWLXBFPRFXAR-BXSODOALSA-N	406.398	3.182	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408708899	VDJCDOQQZYZSBM-WSDLNYQXSA-N	417.307	3.477	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1	10475900	CRSVDRHJUFNFEB-YBFXNURJSA-N	406.236	3.449	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)CCCCCn2c(=S)[nH]c3ccccc3c2=O)n1	12773321	DXIFZXREULGYDW-UHFFFAOYSA-N	412.519	3.170	50	40	HGGB	
COCCCNC(=S)NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12	17090060	CUZIZSKQYLQQJT-UHFFFAOYSA-N	414.556	3.417	50	40	HGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(Br)o1	409365939	ZSAKUTGFKAAOAM-REZTVBANSA-N	401.058	3.367	50	40	HGGB	
N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)Nc1ccc(Br)cc1	408742518	AOAQXCUIGAQXEO-YHYXMXQVSA-N	404.176	3.314	50	40	HGGB	
O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)NNc1ccc([N+](=O)[O-])cc1	408527144	AZDBXFPKAWQMGL-RUDMXATFSA-N	406.358	3.117	50	40	HGGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1cccc(N(C)C)c1	409244364	BNSURZKZPKHIPN-JLPGSUDCSA-N	410.518	3.281	50	40	HGGB	
C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	14923646	FZIMUCHKUYRMOE-KEBDBYFISA-N	419.781	3.291	50	40	HGGB	
N#CC1=C(S)NC(=O)[C@@H]([n+]2ccc(-c3ccncc3)cc2)[C@@H]1c1ccc(F)cc1	2350570	ULUULDJKEUDMOF-UXHICEINSA-O	403.462	3.295	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C[C@@H]1CCCO1	16023163	YFHGOCDJYPNNPH-POUSBKIOSA-N	407.470	3.236	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)c(C)c1	16284787	VWXPTVJXRJHYBN-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	100547659	RSENKQGFQBGRLI-IWDIQUIJSA-N	401.098	3.421	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100550273	VOPIJSAHMVYJFN-IHLSGCPSSA-N	413.109	3.277	50	40	HGGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CC3(C)OCCO3)o2)ccc1Cl	408724184	HFXVBISHJPHSNC-WSDLNYQXSA-N	420.849	3.380	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408907506	POCYDIIRPYBRIY-FIOICXDGSA-N	417.531	3.170	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)c1	409375576	MQOGUYITNMSIOS-AFUMVMLFSA-N	404.470	3.443	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1c(C)cc(C)cc1C	4410564	OZSVVBOVEAMJIR-PCLIKHOPSA-N	410.474	3.080	50	40	HGGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	59419197	YODOTPGPLXXEIY-QGMBQPNBSA-N	412.627	3.409	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NC2C3CC4CC(C3)CC2C4)cc1OC	10039078	YUEFGALSAJSGAR-DHRITJCHSA-N	413.518	3.141	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409302594	JMVMEKUHTQKHKP-SFHVURJKSA-N	423.494	3.414	50	40	HGGB	
COc1cc(OC)c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	32107175	SHESIXCEHIMZQK-NVMNQCDNSA-N	408.208	3.138	50	40	HGGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)C(O)(c1ccccc1)c1ccccc1	1083283	APLIRRMUHPHTKH-ZMOGYAJESA-N	408.841	3.455	50	40	HGGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	2484163	WDTBAFWZMMPECN-KRWDZBQOSA-N	419.397	3.220	50	40	HGGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)NCc1ccco1	4205321	NIJOOAHUSWLSHE-DTQAZKPQSA-N	412.405	3.303	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	4739401	RRHQTBYKQVAYQF-SSDVNMTOSA-N	404.850	3.200	50	40	HGGB	
ClCCOC[C@H]1CO[C@@H]([C@@H]2CC[C@@H](Br)[C@H](Br)C2)O1	5376895	OAQDQNCZAWNUEV-IYKVGLELSA-N	406.542	3.310	50	40	HGGB	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1C(=O)c1ccccc1	6529215	VFVCXYJGDCZKIN-UHFFFAOYSA-N	406.354	3.491	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)c1	12861068	UPHXCNDCFOBNHZ-ZDUSSCGKSA-N	406.866	3.203	50	40	HGGB	
C/C(NNC(=O)C1CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	17091093	XILYCPQSFRYSIX-AQTBWJFISA-N	417.494	3.352	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1	36032830	DOWGAOTUWPANGA-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
NNC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(I)c1	216820458	QDAZYDQVGZCXQN-UHFFFAOYSA-N	420.609	3.266	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409251185	ZZKLZNNORTUHAA-ZHZULCJRSA-N	422.481	3.293	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2cccn2C)nnc1-c1ccc(Cl)cc1	1251417	KNAXLBCYXFZPEY-RGVLZGJSSA-N	402.911	3.199	50	40	HGGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)s1	1958332	CKVWOIBUCKJTGT-QGMBQPNBSA-N	400.291	3.276	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1	4499571	FHOXQGXYYJAGOI-LSHDLFTRSA-N	411.336	3.324	50	40	HGGB	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21	4710693	PICCSZSBCQPFMJ-GZTJUZNOSA-N	403.438	3.046	50	40	HGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(C)cc2)cc1	19956636	SGPJYHRFBSCCCL-UHFFFAOYSA-N	403.504	3.101	50	40	HGGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC2CSC2)cc1	408720314	YNCPZXBMWKTNTM-AWQFTUOYSA-N	417.512	3.473	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408953852	QCTNUPRNLLSLJS-YVLHZVERSA-N	405.454	3.460	50	40	HGGB	
O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cc1	3347417	WOGAYQIHXXNPLY-UHFFFAOYSA-N	418.840	3.114	50	40	HGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2O)cc1	20059266	ZACLKFWWMQPYNW-HZHRSRAPSA-N	423.494	3.122	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	102066116	ILIHAQRYFFVASO-KJKVDNPUSA-N	413.109	3.277	50	40	HGGB	
ClCCOC[C@@H]1CO[C@H]([C@@H]2CC[C@H](Br)[C@H](Br)C2)O1	254403012	OAQDQNCZAWNUEV-ZIQFBCGOSA-N	406.542	3.310	50	40	HGGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(C(=O)O)c1	408540732	BFWWSOGPBIKWEN-VBKFSLOCSA-N	401.378	3.419	50	40	HGGB	
Cn1cccc1/C=N\NC(=O)COc1ccc(Br)cc1Br	409096989	FNQRCQAHYJHSFQ-IUXPMGMMSA-N	415.085	3.079	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	668271	KCOXIGRBPDNGFP-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	2256341	ILBCKAWDRDESGB-IBGZPJMESA-N	404.857	3.472	50	40	HGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	4711912	DAXFVKVGLQHQRO-GOYKBQHESA-N	419.437	3.469	50	40	HGGB	
CC(=O)Nc1ccc(N/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1	5955784	URMMDYQVDSQYOM-JCMHNJIXSA-N	414.465	3.392	50	40	HGGB	
CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6440714	QGVWBISVMRDWOM-LBPRGKRZSA-N	405.907	3.467	50	40	HGGB	
Cc1cc(CNC(=O)N/N=C/c2ccccc2OCC(=O)O)ccc1Br	9323882	GFBWKSCPZHJSOD-UFFVCSGVSA-N	420.263	3.054	50	40	HGGB	
COc1ccc2cc(/C=N/NC(=O)c3ccc(Br)cc3)c(O)nc2c1	9345074	OFRJFDWUNCEWCB-KEBDBYFISA-N	400.232	3.475	50	40	HGGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12769862	RMFHLPZFPFZCKK-HNNXBMFYSA-N	421.428	3.307	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1C	40144598	VCYQJHVRLXYEQY-UHFFFAOYSA-N	408.483	3.341	50	40	HGGB	
CC(C)(C)OC(=O)N[C@H](CI)CC(=O)OCc1ccccc1	96024969	AZOOJSICMDXGFD-ZDUSSCGKSA-N	419.259	3.448	50	40	HGGB	
CCn1c(/C=N/NC(=O)COc2ccccc2Br)nc2ccccc21	100859459	VRYDFHSEUMCZKD-RGVLZGJSSA-N	401.264	3.348	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	408607654	DWHUADGSXQHXLD-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nn(-c2ccccc2)c(N)c1C#N	408721677	WXQQLVSAJAZXAR-AWNIVKPZSA-N	400.354	3.027	50	40	HGGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(I)o2)cc1	408998451	UMKADELSDJEOHW-PXNMLYILSA-N	416.240	3.135	50	40	HGGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1	845380	AWTZJKAHSHBVCY-UHFFFAOYSA-N	405.410	3.320	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1	1917639	QPAWCQJYXYPBNB-GZTJUZNOSA-N	421.409	3.340	50	40	HGGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O	2354229	MJWABUXEVMJABQ-SJTXTDJHSA-N	411.241	3.388	50	40	HGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1c(C)cc(C)cc1C	4474116	LEUWRBPGXVASPV-YZSQISJMSA-N	424.501	3.388	50	40	HGGB	
COc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2c1	4739919	QNWBOFDJZLVQCL-GDNBJRDFSA-N	405.414	3.380	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)c2ccccc21	15658600	WFSCSCOKWKMLQO-QLYXXIJNSA-N	412.449	3.440	50	40	HGGB	
CCOc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccc(Cl)cc2)cc1	36724720	OSHSPOJKPDZJJO-UHFFFAOYSA-N	403.895	3.068	50	40	HGGB	
Cc1c(C(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)oc2ccccc12	40144750	OIFBWXLIPPLGCH-UHFFFAOYSA-N	404.426	3.129	50	40	HGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br	408757272	XURSUIPZAFEFOU-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1	409313047	AVKZPLIXBIFDIU-KRWDZBQOSA-N	421.478	3.184	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)NCCc1ccccc1	58882736	XDXBHHLQFHHNMG-IMRQLAEWSA-N	415.493	3.117	50	40	HGGB	
Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NNC(=O)c1ccc[nH]1	97406296	UYZDPWPMMVBUBT-UHFFFAOYSA-N	402.863	3.365	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	4373066	QRJIAAMHQNSPPF-LPYMAVHISA-N	414.418	3.055	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2256183	ATEXBBWXLSUEKR-LJQANCHMSA-N	404.857	3.472	50	40	HGGB	
O=C(NNC(=O)c1cc(Br)cc(Br)c1O)c1cccs1	8878318	GABBJZBTMMRREN-UHFFFAOYSA-N	420.082	3.054	50	40	HGGB	
Cc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	19956196	RTYGKJDKKPUBLM-UHFFFAOYSA-N	403.479	3.376	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	20208496	PDKCHICLSKVVTJ-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](Br)[C@@H](Br)C[C@@H]32)cc1	104278153	LTYZJLPKSJCINJ-GHYVTOPFSA-N	423.170	3.305	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1	409148440	ZDOFTPSDXGOCRE-QZTJIDSGSA-N	423.450	3.266	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Br	2502486	HRHQQVQWXJZWRJ-QGZVFWFLSA-N	401.216	3.405	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccccc1C#N	4545356	LKBZBPIECWOWJX-UFFVCSGVSA-N	402.248	3.378	50	40	HGGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	4797922	NMLTWYBMNBKTFJ-GDNBJRDFSA-N	408.439	3.156	50	40	HGGB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12	9381384	BUOCAXZDONZLNP-LLVKDONJSA-N	419.890	3.498	50	40	HGGB	
CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)cc1	12851158	TWDSMIIIKAFBGG-AWEZNQCLSA-N	417.893	3.073	50	40	HGGB	
CCOC(=O)[C@@H](C)Oc1ccccc1[C@H]1C(C#N)=C(N)NC2=C1C(=O)CC(C)(C)C2	16682178	OPIZAQPLTQFAFC-YJYMSZOUSA-N	409.486	3.041	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1	58925004	KMIIRFCSHYADHB-FYJGNVAPSA-N	423.922	3.045	50	40	HGGB	
COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)ccc2OC)C2=C1CC(C)(C)CC2=O	409127898	KFRBVYVPPFAVLK-HXUWFJFHSA-N	411.502	3.086	50	40	HGGB	
Nc1nnc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)s1	1241709	PTDRPZWAXOYXLC-UFFVCSGVSA-N	401.879	3.046	50	40	HGGB	
O=C(N/N=C\c1cc(Cl)cc(Br)c1O)[C@H]1COc2ccccc2O1	4936109	UJXWXHAIKQQBRX-TZFWNBKVSA-N	411.639	3.098	50	40	HGGB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccccc3F)nc2)C1	24970000	HDZRKUJTDOHVLC-OKILXGFUSA-N	421.498	3.036	50	40	HGGB	
ClCCOC[C@@H]1CO[C@H]([C@@H]2CC[C@@H](Br)[C@H](Br)C2)O1	254403010	OAQDQNCZAWNUEV-OOCWMUITSA-N	406.542	3.310	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(C)c3)cc2)cc1	408839412	RSXRLEUSKWDLGB-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1	409228734	DKBMJJGBSGYXNS-YZYPPFLQSA-N	406.442	3.216	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	2079011	RSENKQGFQBGRLI-USZNOCQGSA-N	401.098	3.421	50	40	HGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	5847750	AEWAFHLJRBHRRP-SITPEIFSSA-N	417.531	3.123	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1	6363913	QTUAIUZGEUEAFP-VQOQZMAISA-N	418.559	3.407	50	40	HGGB	
C=C(C)COc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20029229	OATVYIUNYKICEM-UGKGYDQZSA-N	415.497	3.005	50	40	HGGB	
O=C(N/N=C/c1ccccc1F)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218182	UUXUQAOUBXWJKZ-AFUMVMLFSA-N	400.413	3.348	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	408811262	AQVUDBFLNVRVAM-CIAFOILYSA-N	401.806	3.423	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1	408969997	YIYIVTITAGCSHF-PGLVWIQMSA-N	411.502	3.064	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(OC)c1	5408746	JJXPZGCQCXOOKM-KRWDZBQOSA-N	404.426	3.321	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1OC	7443122	HTCJTURTLPYIAG-UHFFFAOYSA-N	418.457	3.206	50	40	HGGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1	9720852	JWPZDGIQIVDHNR-ZDLGFXPLSA-N	421.207	3.348	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c1	108235067	IVCIDKCPPXFDKX-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	408612701	XCIWVMUHFDLMQS-XMTZNVEYSA-N	417.893	3.292	50	40	HGGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408706965	FYLDVOZHDJWILV-WSDLNYQXSA-N	417.307	3.415	50	40	HGGB	
C=CCc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(OC)c1O	409215999	CWRGCTANKHBOFN-KEBDBYFISA-N	405.248	3.361	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(OC)c(OC)c3)o2)cc1	409360898	GCAXKVNCYRWVIM-ZVHZXABRSA-N	422.437	3.443	50	40	HGGB	
COc1cc(C)ccc1OCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	9336407	IKJVOZMDQQEJOG-INIZCTEOSA-N	408.454	3.151	50	40	HGGB	
Cc1ccc(NC(=S)NNC(=O)CCn2nc(C)c(Br)c2C)c(C)c1	17093810	GBEWTVZXQKLJRT-UHFFFAOYSA-N	424.368	3.287	50	40	HGGB	
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)NNC(=O)c1ccccc1	20195598	NUXJEAWWQPQTBP-UHFFFAOYSA-N	422.297	3.332	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)NC1CCCCC1	408817852	UQVHRYDAWMRDOB-QGOAFFKASA-N	407.470	3.331	50	40	HGGB	
CC(C)(C)c1cc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)[nH]n1	1817090	RQIXZIWKNVLZLM-MEFGMAGPSA-N	415.497	3.431	50	40	HGGB	
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc2c(c1)CCN2CCCCl	2323341	ZRUSPKOCRBOFAD-NBVRZTHBSA-N	415.921	3.473	50	40	HGGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2)n1	2642423	XEULRHNVUURKOW-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1OC	10887168	OSBWHSAXVHUJFD-OAHLLOKOSA-N	416.474	3.111	50	40	HGGB	
Cn1c(CC(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)nc2ccccc21	16275946	RHXIJOPJGDYPFY-UHFFFAOYSA-N	408.314	3.440	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O	19954346	DWDUOYBBUBSNRK-RCCKNPSSSA-N	407.923	3.231	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1	59292131	QHGHCBGSOPCWAB-MKMNVTDBSA-N	415.243	3.410	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1	408834358	YBBZRTKWXXXZQA-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	2271716	ZEEUVCFFLINQOF-QGZVFWFLSA-N	402.834	3.084	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)CCC(=O)Nc1cccc(Br)c1	3112413	NHJOFRUXVUDZLA-UDWIEESQSA-N	404.264	3.327	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Cl)cc3)CC2)cc1	5173079	MUXASIIAUBVVJE-HYARGMPZSA-N	419.934	3.199	50	40	HGGB	
Cn1c(Cc2ccccc2)nnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1	6974949	MYYQBOYWLLFFQD-UHFFFAOYSA-N	402.483	3.340	50	40	HGGB	
NNC(=O)COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1	9576744	MMWUBOYIXCBRLT-OAQYLSRUSA-N	414.465	3.047	50	40	HGGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSc1nc2ccccc2s1	15891598	BMLNSBUKYCXQEA-NSHDSACASA-N	405.476	3.142	50	40	HGGB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1	103918399	GNTCFPJUIHEZDI-ATVHPVEESA-N	413.459	3.368	50	40	HGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)OCc1ccccc1	408818146	YARYCSTTZWXVKZ-CVKSISIWSA-N	415.449	3.228	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(I)c1	704684	PVZAATFEQAZAJF-VGOFMYFVSA-N	401.185	3.025	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4151083	FMMSVVCJJZSQIA-UHFFFAOYSA-N	401.162	3.332	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	6884172	ATCOCVDCCDAJJY-YBFXNURJSA-N	400.416	3.003	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1	20158863	OPIJWLKJELSGIR-MZJWZYIUSA-N	418.428	3.331	50	40	HGGB	
ClCCOC[C@@H]1CO[C@H]([C@@H]2CC[C@H](Br)[C@@H](Br)C2)O1	254403008	OAQDQNCZAWNUEV-GCHJQGSQSA-N	406.542	3.310	50	40	HGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	408612949	XPPFSBUKCMJATN-WYMPLXKRSA-N	411.845	3.279	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(C)cc(C)c1	408970665	JWSYKWSIOZPLMM-KEBDBYFISA-N	404.264	3.163	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1	102198871	VLPKQCCRHBLLBM-JYBIWHBTSA-N	414.502	3.320	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1	408897616	YYZJJQMSLUKBHU-MDWZMJQESA-N	401.216	3.487	50	40	HGGB	
O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cc(O)ccc1O	1616040271	CQYVAYHOAXCLGX-UHFFFAOYSA-N	405.785	3.401	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	5637023	KBQQXALLIRAFCI-YDZHTSKRSA-N	406.394	3.109	50	40	HGGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	8245308	WZMGDLUOWYIZDW-CYBMUJFWSA-N	417.437	3.401	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)N2Cc3ccccc3C2=O)cc1	1383728	ANUAQZZZOWURRT-XQQQEEOESA-N	413.477	3.418	50	40	HGGB	
CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	1437758	LXKKEIKQUDOSNU-ZVHZXABRSA-N	418.405	3.301	50	40	HGGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O	27019942	QXLUCUBUAHYENJ-LRQZKABGSA-N	418.559	3.197	50	40	HGGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1	853959	WYHRUHDEUVPUKR-YWFITGJYSA-N	407.426	3.376	50	40	HGGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	6325179	JMPJAAPHTDGMMT-ZDUSSCGKSA-N	407.923	3.289	50	40	HGGB	
COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	39977908	FXDPLCCNAQAJRC-UHFFFAOYSA-N	422.485	3.153	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(C(=O)O)cc1	59148416	ISGABCARJUCSCK-WYMPLXKRSA-N	405.410	3.131	50	40	HGGB	
COc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O	96466459	VGWCNWOLVJNBKL-OYKKKHCWSA-N	410.857	3.440	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1cccc(Br)c1	2319736	UDMXNOGSYQYQOL-GIJQJNRQSA-N	420.292	3.080	50	40	HGGB	
O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccccc1Cl	7939937	CMAFNHMNMATEBD-UHFFFAOYSA-N	401.633	3.265	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O	14009350	QPLYGLKPHCNUSM-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc2ccccc2c1	23109348	FQSXXGSSTITKPQ-UHFFFAOYSA-N	415.424	3.264	50	40	HGGB	
O=C(N/N=C\c1cc(I)ccc1O)c1ccc(Cl)cc1	30822092	PRTBWVGSJJXEIO-IUXPMGMMSA-N	400.603	3.414	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(I)cc2)c1	33770581	DEWNKTJLWMXVHV-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885019	AFBKVMRPNUZHKC-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1	409005669	JHYXRXKIBBAMOS-PCLIKHOPSA-N	409.461	3.393	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1	409058557	YQWPGEOBZOBNDI-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	6324066	WPUVIEMBMYEFRH-ZDUSSCGKSA-N	408.321	3.047	50	40	HGGB	
N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NCc1cccnc1	17087826	NSPRUYXCBZNPTR-OVCLIPMQSA-N	408.259	3.458	50	40	HGGB	
CCOC(=O)c1c(N)sc2c1CCC(/C=N/NC(=O)c1ccncc1)=C2Cl	9943060	OOHTUZJPWZHPLO-LSFURLLWSA-N	404.879	3.214	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F	408944870	VWWYFFHHOHSYOZ-FSJBWODESA-N	423.404	3.230	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1	409224866	NDVGTUUBRPUVQK-WUXMJOGZSA-N	420.252	3.412	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1OC	409360286	DNIZDJXUSPEKSS-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1cccc(Br)c1	38704525	VMVDKUZJWNVJNM-RAXLEYEMSA-N	402.248	3.424	50	40	HGGB	
CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)C(C#N)=C(N)C(C#N)(C#N)[C@@H]1c1ccccc1	20790678	GMYMBCMLJSQZQS-STWLZBDKSA-N	421.460	3.411	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(C)=O	4475679	AEFKRZOLFKQFPK-GOSISDBHSA-N	412.442	3.080	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	100539755	LPWHFFOAXYBDJY-LQSBQDLSSA-N	413.109	3.277	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275937	PWVQQQOJIHFYOW-XMSQKQJNSA-N	408.479	3.347	50	40	HGGB	
O=C(CCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1	4899371	JQCSQYLQGLWHNZ-DFEHQXHXSA-N	410.474	3.039	50	40	HGGB	
COc1ccc(C(O)(C(=O)N/N=C(/C)c2ccccc2O)c2ccc(OC)cc2)cc1	4837481	KGRTVBJKXSVXKO-XYGWBWBKSA-N	420.465	3.186	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	2255539	BODJPMNOAGOQPR-LJQANCHMSA-N	406.438	3.486	50	40	HGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	28213918	YCOYURKJGMOSFG-BUVRLJJBSA-N	403.438	3.233	50	40	HGGB	
CCOC(=O)/C(CC(=O)c1ccc(OC)cc1)=N/NC(=O)c1cccc(Cl)c1	59488951	NTVHXTRZNVLIGL-OQKWZONESA-N	402.834	3.271	50	40	HGGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=c2\c(=O)c3cccc4cccc2c43)c1Cl	105484928	UFNFKFNLBGFQDM-OYKKKHCWSA-N	419.655	3.412	50	40	HGGB	
Cc1cc(C)c(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c(Br)c1	216834986	LCJZZRNEYDRHLP-UHFFFAOYSA-N	416.275	3.343	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C	408971147	MXSHWUJUAJCWQA-ANRKENSESA-N	411.502	3.064	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1	409005311	HNWWSWVDORYMQV-KOEQRZSOSA-N	421.497	3.263	50	40	HGGB	
N#CC1=C(SCC(=O)NCc2ccco2)NC(=O)C[C@H]1c1ccc(Cl)cc1	6495515	DUYMUTRZPUCSQP-HNNXBMFYSA-N	401.875	3.321	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	16409660	SGZMORDZSRIHFR-DHZHZOJOSA-N	420.219	3.287	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1)c1cccc2ccccc12	19955135	IRGGFPCRDAMXFV-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
COc1ccc(CCNC(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1OC	59435586	CAQSSGCSHYHZNY-UHFFFAOYSA-N	403.523	3.071	50	40	HGGB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	98004422	DHOKOYAOGBVGOT-TWMGVTGTSA-N	416.481	3.041	50	40	HGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	226768196	ZIRFYTVHOPKSHE-UHFFFAOYSA-N	404.382	3.410	50	40	HGGB	
O=C(Nc1ccccc1C(F)(F)F)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	250193215	LSVHAPHLWTYENH-AJCKKNKHSA-N	404.182	3.215	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c2C)cc1	58912656	OMPSHRNSISWFLU-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl	59678908	JLPCUTBXCNBIFA-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1O	1434603	ODOXPMGRFHAXKI-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)c(OC)c1	12629499	FCUINASHPCRQIJ-YDZHTSKRSA-N	403.866	3.169	50	40	HGGB	
COc1ccc(CCNCCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1OC	18192343	CLENQZUSVHBBFE-WGOQTCKBSA-N	421.497	3.235	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OC	409314893	HPQTYZZMDRCDSV-JJFYIABZSA-N	420.849	3.365	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	4157182	VOPIJSAHMVYJFN-NNHPCIIKSA-N	413.109	3.277	50	40	HGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCC	409131644	JNBGAENCBDLUJL-OAHLLOKOSA-N	419.279	3.496	50	40	HGGB	
CC/C(=N\NC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCC3)c1cccs1	6263380	RGWWYGRVIZCEAH-AMRSXLBCSA-N	400.529	3.500	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2[C@H](C1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)C2(C#N)C#N	20026764	JDVGBLCPXZGUGP-HKUYNNGSSA-N	419.460	3.486	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	4545293	MKZGXJYORXHFSR-LSHDLFTRSA-N	416.817	3.411	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)cc(OC)c2O)cc1	408809294	GNZPAOQICKQTOI-AUWJEWJLSA-N	417.259	3.395	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OC	408967304	PVLIKCJWSAITFE-ZVBGSRNCSA-N	406.211	3.241	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O	36206860	BOQIRCGDYKIHMN-FBCYGCLPSA-N	414.201	3.145	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(OC)c1OC	625599	JGHQMCSLSCGLPV-IBGZPJMESA-N	418.453	3.425	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21	408598700	IUCFFJMKUYJWSZ-WSDLNYQXSA-N	408.414	3.185	50	40	HGGB	
CCOC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1OC	4526012	ONQQYFVCRCQUHY-DEDYPNTBSA-N	403.391	3.141	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc(OC)c1OC	9187693	SJEVPMSKSGROKA-KRWDZBQOSA-N	422.416	3.460	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1	408873045	MFIAQDWDDVSGFQ-MFKUBSTISA-N	412.449	3.217	50	40	HGGB	
COc1ccccc1N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c1ccccc1	19950046	YAKSOUJGMZJWTE-CJLVFECKSA-N	417.531	3.429	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)c(C(=O)O)c1OC	2288780	CEVLQRNIHBNVOV-FSJBWODESA-N	408.410	3.084	50	40	HGGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1	6454096	CMLBKAJHCWRPPL-INIZCTEOSA-N	401.557	3.493	50	40	HGGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1	6593631	JFWVQKUGVGHPSQ-ATVHPVEESA-N	407.451	3.304	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	20207629	RLEUCTUJVHKHBO-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCc1ccc(C(=O)O)o1	33740969	BLJKTOVTIRWQLS-FOKLQQMPSA-N	412.373	3.468	50	40	HGGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1	409005027	YTCANYMVGKXJDU-UNMCSNQZSA-N	417.465	3.490	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1O	857505	AHJKJVHRUQTHMB-LSHDLFTRSA-N	411.336	3.411	50	40	HGGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(N2CCCC2=O)c1	993814	IFNIPHXNGDAQIK-RGVLZGJSSA-N	402.248	3.045	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)S(C)(=O)=O	19954792	NQICFCWUCJLSSI-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCOCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708054	NPSGXTZBJXKNTQ-ZMOGYAJESA-N	420.872	3.216	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1Cl	408882273	MEDMWWIXGIPXMP-SSDVNMTOSA-N	421.950	3.490	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)sc2ncnc(N)c12	408973674	ODZHEFOHSMOFHB-KTZMUZOWSA-N	421.438	3.304	50	40	HGGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2212742	TXQPQHXSJQYZDF-SJKOYZFVSA-N	415.852	3.346	50	40	HGGB	
Cc1nc2ccccc2n1CC(=O)NNC(=O)c1cc2c(s1)-c1ccccc1OC2	12506388	RHTNQNJRZVZVFI-UHFFFAOYSA-N	418.478	3.427	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1OCC	409393445	XJFWFDMCHBDYNZ-WSDLNYQXSA-N	402.834	3.229	50	40	HGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118603	NFCLYPJVMRLOEY-XDHOZWIPSA-N	404.207	3.067	50	40	HGGB	
CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Br)cc3)[C@@H]12	105298688	JQOWUEPPUWFFJG-FCLVOEFKSA-N	420.314	3.335	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@H]2C1	13739032	VTQGUXVMMMPJAJ-ZWKOTPCHSA-N	408.303	3.194	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408706524	AUISKBPCWDFHOE-WSDLNYQXSA-N	415.291	3.253	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1OC	4507794	XYUREERSXZSRRI-OEAKJJBVSA-N	408.410	3.209	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(C)=O	1083315	VAMFLYNSNUEPLK-PCLIKHOPSA-N	418.449	3.007	50	40	HGGB	
N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(N)=O	2238942	FHJPXISBIMCQNA-JXMROGBWSA-N	401.209	3.186	50	40	HGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1	7913609	RWLRKQHIBBZMCB-FQEVSTJZSA-N	405.429	3.148	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccco2)cc1OC	15018831	BEKLPGPCNDHWJT-YDZHTSKRSA-N	423.425	3.078	50	40	HGGB	
CCCc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c2c(c1OC)OCO2	15085395	NFDRHGFZRYZUNA-UFFVCSGVSA-N	415.402	3.057	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1	20986365	GZGBDGWMIFBHNQ-QGMBQPNBSA-N	409.309	3.107	50	40	HGGB	
CN(CC(=O)N/N=C\c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	35103832	KEXZSIQAOZEVBT-XKZIYDEJSA-N	415.902	3.264	50	40	HGGB	
COc1ccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1I	100007397	FMVATUIBHKQRRO-WQRHYEAKSA-N	414.243	3.165	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c2ccccc21	408768795	JLHXSWXDRIHZEC-YQKOJLBDSA-N	424.464	3.022	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(OC)c1	408603857	HNILQEBQIXSKHQ-GOSISDBHSA-N	411.531	3.257	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2F)o1	409163134	MGPIMTZDTHXTTA-BHGWPJFGSA-N	424.388	3.182	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@H]1c1ccc(F)cc1	409311789	IDZPTDPWJRWSPV-IBGZPJMESA-N	421.497	3.482	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OC	6641349	JINJTGKEMDWAOG-YODDIOPGSA-N	407.264	3.304	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)o2)c1	6761434	PSIZSVOXPVWLMN-YDZHTSKRSA-N	405.410	3.456	50	40	HGGB	
Cc1cc(C)n2nc(C(=O)NN=Cc3ccccc3OCc3ccccc3)nc2n1	8295284	WZOCLKZANWTIQM-UHFFFAOYSA-N	400.442	3.084	50	40	HGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	30820847	YKJLQHUHYDEMCY-GMDDEGIZSA-N	401.419	3.352	50	40	HGGB	
CC1(CC(=O)N/N=C/c2ccc(I)cc2)SCCS1	38534992	UXHKLDJRCRQANB-OQLLNIDSSA-N	406.314	3.328	50	40	HGGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3)s2)c1	59498649	GMRXJENOWDZEBC-SRZZPIQSSA-N	413.890	3.445	50	40	HGGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OC2CSC2)cc1	108904690	SDIGZZRPPGOOHJ-BHGWPJFGSA-N	417.490	3.445	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl	408728653	QRJOQJUMEXKEGU-UFFVCSGVSA-N	414.805	3.334	50	40	HGGB	
CCOc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1OCC(=O)O	409210299	JEZDCSJDUYOHAE-JMIUGGIZSA-N	421.247	3.075	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409218993	MCWOQUIZYBXPID-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)C(C)(C)[C@@H](C#N)C(O)=N2)c([N+](=O)[O-])c1	8755737	QCRUHSSMRTZNSD-NSHDSACASA-N	415.431	3.146	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1ccc2c(c1)OCO2	10752606	PFFDYRLFGFFCHM-OAHLLOKOSA-N	406.438	3.116	50	40	HGGB	
C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cc2c(s1)CCC2	14244766	MYOGWQZLEIIVMJ-JTQLQIEISA-N	409.305	3.228	50	40	HGGB	
C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc2c(c1)OCO2	17091297	COMUUWSAUCMMHT-TVYFDWKESA-N	418.085	3.152	50	40	HGGB	
CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1	19950773	IHJKHJBYNYCJHR-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59459743	RNKPQMDLELVJHD-ODCIPOBUSA-N	414.727	3.356	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc2c(c1)OCCO2	408568805	LDGPFRIXLLUFRH-CIAFOILYSA-N	416.524	3.466	50	40	HGGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F	691091	QZBYWGYCAVWBTN-GOSISDBHSA-N	418.419	3.053	50	40	HGGB	
O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1	830856	RBLFJNZLQTYZSG-ZVHZXABRSA-N	404.422	3.346	50	40	HGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCCC3)c3ccccc32)cc1	2339758	JQWLBNUNNTXDFA-MRCUWXFGSA-N	414.465	3.133	50	40	HGGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1ccccc1C(F)(F)F)C(F)(F)F	3103178	SKKBLBLXFNEVTN-GFCCVEGCSA-N	406.710	3.294	50	40	HGGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2)cc1	6477598	CJHDNDCQQBMJJE-IBGZPJMESA-N	421.522	3.392	50	40	HGGB	
O=C(NNC(=O)c1ccccc1Br)c1cc(Br)ccc1F	15346372	JJENHHGPVLGHHH-UHFFFAOYSA-N	416.044	3.426	50	40	HGGB	
COc1ccc(C(=O)N/N=C2/C(=O)c3cnn(-c4ccccc4)c3CC2(C)C)cc1	100647955	JWTSZBCGQZEDNA-DAFNUICNSA-N	402.454	3.432	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc(OC)c1OC	225368521	PJGODMFOUWCWCD-KSEXSDGBSA-N	414.458	3.274	50	40	HGGB	
COc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1O	408979521	MONLGPAHXGNWFN-UVPCLOGWSA-N	417.465	3.412	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c(C)o1	28278958	FPCVBQXIGZHUPA-UHFFFAOYSA-N	409.442	3.150	50	40	HGGB	
C=CCOc1ccc(/C=N\NC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC	32923293	FSQLRPLUXHEPEE-XKZIYDEJSA-N	401.850	3.392	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)cc1Cl	408971921	LZDLSQBJZMOPPS-SSDVNMTOSA-N	404.898	3.121	50	40	HGGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O	409141012	GQNFAEMNINVZGL-HXUWFJFHSA-N	411.502	3.086	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@H]2C1	804183	CVXIPSAEKXLKJH-VQTJNVASSA-N	401.470	3.034	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1C	2195118	FQMPGFIDPKDLOW-YQPBSLOJSA-N	407.495	3.176	50	40	HGGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccccc1C(=O)O	2776561	MDCVJSTUGFDXJJ-VZUCSPMQSA-N	415.199	3.422	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	5488734	JNVTYUPAKPLUSW-KNQAVFIVSA-N	417.513	3.228	50	40	HGGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(F)cc1	8449304	KNGOOYFGULOOHX-XALSLBCYSA-N	417.072	3.108	50	40	HGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)Nc1ccccc1	59248230	ANUFMZKFOKJERG-RAXLEYEMSA-N	402.248	3.424	50	40	HGGB	
NC(=O)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12	108985560	JXIJJDNMRQLOQI-AWQFTUOYSA-N	418.238	3.296	50	40	HGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	409024815	HPRGRDJSEZGAPF-FYJGNVAPSA-N	417.874	3.279	50	40	HGGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c1	409264592	MKYZLMULEIKDEE-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1	8733080	VUFQRHFNJATWNR-OAHLLOKOSA-N	413.312	3.118	50	40	HGGB	
C[C@@]1(CI)[C@@H]2CC[C@]1(CI)C(=O)C2	100746544	CYRISYJUPUQPCV-QNSHHTMESA-N	404.029	3.232	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1C	7387393	PNUBHHRFJKXDCR-UHFFFAOYSA-N	401.513	3.359	50	40	HGGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1	15915207	WURAMUZFGDFAPI-UHFFFAOYSA-N	424.238	3.153	50	40	HGGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	408773900	YCHAIPUVGPUZBW-FSJBWODESA-N	413.543	3.282	50	40	HGGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C	408591782	VCSHOZDXACGMIN-BHSKHCGUSA-N	419.481	3.455	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)c1C	2085302	LTHNFVATRKPMCV-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)o1	13584375	JEMJFSNUFRLPQA-OERAWDQMSA-N	407.382	3.453	50	40	HGGB	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1)SC[C@H]2CI	16478112	SCNUPPUCTAXSJM-RISCZKNCSA-N	420.279	3.065	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1	16758789	BKPAOLKCGYLUFZ-URTGMZOISA-N	401.850	3.391	50	40	HGGB	
Cc1noc(C)c1CCC(=O)NNC(=O)COc1ccccc1Cc1ccccc1	32674596	UVCBZTWNJYGQIH-UHFFFAOYSA-N	407.470	3.041	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OC	58887417	XZJQVUHEYDOHKK-GKXUUXLPSA-N	421.291	3.430	50	40	HGGB	
Nc1nccnc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	11675327	BSDLBYKQDHUGQO-UHFFFAOYSA-N	418.844	3.002	50	40	HGGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1ccc(-c2ccccc2)cc1	96519160	AAUVZIZOFMEXJJ-CABCVRRESA-N	402.253	3.193	50	40	HGGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O	108279213	OPORBZOZZZHROI-QGMBQPNBSA-N	416.371	3.196	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(OC)c1	408603864	HNILQEBQIXSKHQ-SFHVURJKSA-N	411.531	3.257	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl	408776321	YPTRSDIXTGTJJC-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1	409114972	JFXXDFOLZTVHNO-FYJGNVAPSA-N	418.291	3.058	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(Sc2nc(C)cc(O)n2)o1	409115017	JOXGGUCDUYGRDA-WEVVVXLNSA-N	410.249	3.467	50	40	HGGB	
Cc1csc(CC(=O)N/N=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)n1	7906464	PVMZERCJXWIGFC-WYMPLXKRSA-N	416.510	3.451	50	40	HGGB	
N#Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1	6566106	ZBDFJMULFLFQBE-SLEBQGDGSA-N	410.433	3.004	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1	44838566	AAKFKYWMPPYJAH-AWEZNQCLSA-N	412.799	3.184	50	40	HGGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1	19955071	PDGAQPZZBZZUPD-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
O=C(CNc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccc(Br)cc21	2310930	GFZHHOITFKICLM-UHFFFAOYSA-N	423.270	3.487	50	40	HGGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccccc1C(=O)O	4820078	XIYARGRECHWKEZ-UHFFFAOYSA-N	405.454	3.070	50	40	HGGB	
O=C(NNc1nnc(Cc2ccc(Cl)c(Cl)c2)c(O)n1)c1ccc(F)cc1	6909147	XPPGIFKIJRCSKP-UHFFFAOYSA-N	408.220	3.371	50	40	HGGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	12292741	UWHVZYRVHKFASB-QGZVFWFLSA-N	417.465	3.476	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2cc(Br)c(O)cc2O)cc1	408711821	MFOUDZUATSVRFZ-RGVLZGJSSA-N	407.264	3.342	50	40	HGGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	1091262	XCWPRNVXWQYQCI-CNHKJKLMSA-N	413.069	3.263	50	40	HGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1	5900143	IXWXLZHZQBFZFZ-YDZHTSKRSA-N	400.394	3.213	50	40	HGGB	
C/C(=N\NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1	12362280	DTQADVXTONMXIH-PXLXIMEGSA-N	419.934	3.281	50	40	HGGB	
CCc1ccc(OCC(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1	12558455	DWMFBBMCTMABBY-UHFFFAOYSA-N	414.462	3.076	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1	58913829	WZGYAZURKWPZST-LPYMAVHISA-N	405.414	3.091	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cc1	100279065	VGFLTIRMHIOBDT-NHDPSOOVSA-N	409.354	3.111	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(OCC)c1	408606830	QUPZVBKSHCWRFM-KRWDZBQOSA-N	414.487	3.042	50	40	HGGB	
Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)c1	408815863	VJSNXCROYMZNBM-ODLFYWEKSA-N	407.268	3.343	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)c1	409383128	UREIJFKUBUFXAC-AFUMVMLFSA-N	410.518	3.253	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	3067332	XAODTFNUBQFGNK-WYMPLXKRSA-N	421.375	3.368	50	40	HGGB	
O=C(N/N=C/c1ccc(I)o1)c1cc(-c2ccccc2)n[nH]1	4705503	DLKVGVOBUUGQCY-RQZCQDPDSA-N	406.183	3.038	50	40	HGGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1	5677994	YOXCZUVXWBGDJS-AFUMVMLFSA-N	406.486	3.074	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1[N+](=O)[O-]	6278608	ZSUXKWHANRFGNO-CNHKJKLMSA-N	406.192	3.158	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC	12692564	ROBLKTAOYPDPLS-UHFFFAOYSA-N	406.866	3.366	50	40	HGGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1cccs1)c1cccc(Oc2ccccc2)c1	13134418	GIARBWFBXPVYGP-KRWDZBQOSA-N	424.482	3.101	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc1	57510541	URBTXVAITUYYTG-SFHVURJKSA-N	409.467	3.041	50	40	HGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(Br)c1O	110260015	JUXJGDBMECAPMT-LSCVHKIXSA-N	412.627	3.409	50	40	HGGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3)c2)cc1	408924998	RIVJWKCSOQXBON-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1cccc([N+](=O)[O-])c1	409044845	DRKANDPEVFPXRV-WUXMJOGZSA-N	401.762	3.257	50	40	HGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)O)c(OC)c3)cc2c1	409188284	YGUDCTNMODHAKS-JJFYIABZSA-N	412.398	3.067	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1	832762	IATCOYWEZCHKTF-ZVHZXABRSA-N	419.437	3.182	50	40	HGGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4F)c(=O)c23)C1	4367743	SZMZLKYRRPAFIU-RNLJWTIUSA-N	412.490	3.433	50	40	HGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cccc(C)c3O)cc2)n1	13114446	ZPUKUQVQZXSQDG-UHFFFAOYSA-N	422.510	3.475	50	40	HGGB	
COC(=O)[C@@H]1C2=C(C(=O)C[C@@H]1c1ccccc1)[C@@H](c1ccccc1)C(C#N)=C(N)O2	1616031323	LBCHRUKIOPRPLZ-UXPWSPDFSA-N	400.434	3.294	50	40	HGGB	
Cc1nn(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C1C(=O)CCC2	695929	AEPJLJOYZQMABJ-LJQANCHMSA-N	422.420	3.081	50	40	HGGB	
C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1cccc(NC(=O)c2cccs2)c1	4614348	XNSGNSKSXHFRSB-SSDVNMTOSA-N	411.439	3.271	50	40	HGGB	
CN(CC(=O)N/N=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1	33451790	CGHKRIYGXAPIEK-XKZIYDEJSA-N	415.902	3.264	50	40	HGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)c1	409060367	RBXWMFUKNSRDEU-DICXZTSXSA-N	419.444	3.239	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccs4)c(=O)c23)C1	4367747	QHQOATNTQRQBDW-OFOJQVRQSA-N	400.529	3.356	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	6312902	XWGJUYWMUWKPKQ-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1cccc(C)c1	32109573	NWOADKCZLFJIGX-QFEZKATASA-N	418.453	3.180	50	40	HGGB	
COc1cccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1	31783450	UGDOKUSYEFISMG-MSXFZWOLSA-N	418.478	3.284	50	40	HGGB	
O=C(NNC(=O)c1ccccn1)c1ccc(Oc2ccc(Br)cc2)nc1	40142852	NEKNYCUUYUSLSP-UHFFFAOYSA-N	413.231	3.106	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1	103532179	QXAZVKPNPDQSMN-CBPXPLCBSA-N	409.445	3.014	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408735012	JHJJXWIYKGOQFA-FSJBWODESA-N	422.312	3.355	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)O	408819439	SEAHHUAFGJPIDH-UNOMPAQXSA-N	406.438	3.110	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc(Cl)cc1	408906119	CONCOZBWJUXCBK-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
COc1cc(-c2n[nH]c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc(OC)c1OC	4997810	FFKGOIOMAKHLQV-QGZVFWFLSA-N	404.426	3.321	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H]1c1ccccc1	104815368	QIOHLFKWBNQACF-LGPLSSKUSA-N	417.472	3.147	50	40	HGGB	
Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)N/N=C3/CCCN3)c12	3264435	UQOTZDSJKQSWHM-UHFFFAOYSA-N	411.469	3.218	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)c1	5156900	XRDFIBILBKXMFH-GOSISDBHSA-N	401.426	3.262	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Br)cc2OC)cc1	15134346	CDXPWNRBPHTBBM-UDWIEESQSA-N	407.264	3.386	50	40	HGGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)cc1	17082350	KJSHFAVFRVCHCQ-XNTDXEJSSA-N	402.410	3.402	50	40	HGGB	
Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1	408708170	OLXJTEBDMXXTSM-SRZZPIQSSA-N	417.307	3.476	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1	4738875	PEWLQHPRHIFUHB-SSDVNMTOSA-N	404.850	3.200	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1	9725031	SNNGNQKIBAMRQO-UHFFFAOYSA-N	422.462	3.234	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2)[C@H]([n+]2ccccc2)[C@](O)(c2ccccc2)N1	35376682	IYAXXDXWSQKODI-AYRHNUGRSA-N	418.480	3.224	50	40	HGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(Br)cc2)cc1	100522588	UYCQJLADVYDVPI-LPYMAVHISA-N	418.291	3.270	50	40	HGGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1)c1cccc(F)c1	15134978	VOAQICJNQNLDFB-LHXREVONSA-N	420.396	3.335	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	100338939	BPEAIEMFSALTNL-SRZZPIQSSA-N	404.810	3.391	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	102083392	AKNVWNUHZKSLBL-MBZVMHRFSA-N	404.378	3.126	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408780564	DWGCHUXLNCHPAN-HZHRSRAPSA-N	419.522	3.430	50	40	HGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)c1	409060653	SFLWHNVJCXONNI-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccccc3O)c(=O)c2c1-c1ccccc1	958218	GMWQADIENVJAQD-BHGWPJFGSA-N	418.478	3.289	50	40	HGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCOCC2)s1	3311343	JOEDOZLQGUMHRB-FOKLQQMPSA-N	412.437	3.166	50	40	HGGB	
O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1	7941671	ADPOIBFRNIQGTK-JEJAVHKGSA-N	417.918	3.467	50	40	HGGB	
Cn1c(CC(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)nc2ccccc21	9219910	DRLXQGYDUAXZOF-UHFFFAOYSA-N	412.493	3.485	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1ccc2c(c1)OCO2	10752595	PFFDYRLFGFFCHM-HNNXBMFYSA-N	406.438	3.116	50	40	HGGB	
CC(C)=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1	19952583	OCLHNNVVQLTMNT-UHFFFAOYSA-N	424.320	3.156	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408614926	JWLPTUQPSMCVQC-HNNXBMFYSA-N	413.905	3.452	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	408737147	LFRFPRRENKXYMT-HZHRSRAPSA-N	405.435	3.090	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O	408906581	HUOBRUYCEMULQW-ZICWZVMQSA-N	414.314	3.298	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1O[C@H](C)C(=O)O	409017390	WFGJBTHYSOGBKD-VTGBELTLSA-N	412.398	3.066	50	40	HGGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)cc1Br	409366324	UIFJQUBFWQMBKH-JAIQZWGSSA-N	407.264	3.168	50	40	HGGB	
COc1cc(C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cc(OC)c1OC	3373599	UMHPHEPPXOIEGT-UHFFFAOYSA-N	413.257	3.023	50	40	HGGB	
CC[C@H](C)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1	2791855	PFDZQDBFGUWIMD-NSHDSACASA-N	410.337	3.275	50	40	HGGB	
CCSc1ncc(Cl)c(C(=O)NNC(=O)c2cc3ccccc3cc2O)n1	28287077	CDEMUTCJBHEGCV-UHFFFAOYSA-N	402.863	3.176	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1	1221472	HELJOPNGWIQBLT-UHFFFAOYSA-N	405.483	3.053	50	40	HGGB	
Cc1ccccc1C(=O)NNC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1	1243546	OGQFFVVBXZMOSI-UHFFFAOYSA-N	424.453	3.455	50	40	HGGB	biogenic
COc1ccc(SS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1NC(C)=O	3196764	ZAQJDVNPAYJDPH-UHFFFAOYSA-N	424.500	3.102	50	40	HGGB	
CC1=C(C(N)=O)[C@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	4730645	IECDEKWGGNYQTD-SFHVURJKSA-N	410.524	3.301	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1	5362404	HTJHTGUCHYJAMG-JTQLQIEISA-N	412.298	3.096	50	40	HGGB	
COc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	6973766	RVQQDOQGJMXOAX-ZDEQEGDKSA-N	417.097	3.122	50	40	HGGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1	12275147	QJQJWGUVKGCDQK-MBSDFSHPSA-N	420.490	3.425	50	40	HGGB	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccccc3Br)c2C)cc1	12885646	KSMMSAXMDYNLST-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	13897376	KFVHAKJPTHRPEC-SRZZPIQSSA-N	409.354	3.082	50	40	HGGB	
CC1(CC(=O)N/N=C\c2ccc(I)cc2)SCCS1	32116885	UXHKLDJRCRQANB-DHDCSXOGSA-N	406.314	3.328	50	40	HGGB	
COc1cc(/C=N\NC(=O)OC(C)(C)C)cc(/C=N/NC(=O)OC(C)(C)C)c1O	35191175	UTXBROJQJIPSGL-NGHQTVFFSA-N	408.455	3.118	50	40	HGGB	
O=C(NNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccccc1F	40069544	FFRAPXBCCWPUIE-UHFFFAOYSA-N	407.380	3.016	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O	408773569	RJXAOMTWKRBUDL-RCCKNPSSSA-N	407.923	3.231	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC	408864599	XGJMMCZSSDEVNQ-DJKKODMXSA-N	422.235	3.447	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)cc1	408978357	YXIJPJKKLMTLCI-FSJBWODESA-N	406.394	3.155	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1)S(C)(=O)=O	409125077	IYJJIQKKQPEXLR-OEAKJJBVSA-N	407.495	3.098	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	409273081	VEWKZXGSOXUXNQ-VSIOZEBNSA-N	405.410	3.358	50	40	HGGB	
Cc1ccnc(Sc2oc(/C=N/NC(=O)c3ccncc3)cc2Br)n1	409275283	TUZFNPQMNCAFIP-AWQFTUOYSA-N	418.276	3.451	50	40	HGGB	
COc1ccc(C(=O)NN[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1	3322035	RVGHYZJAXNPDHT-NRFANRHFSA-N	405.454	3.318	50	40	HGGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2	4694172	PYIBYDAWQKJWOG-KOEQRZSOSA-N	402.450	3.234	50	40	HGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccncc3)c2)c(C)c1	6165947	DMFGNBNIDVVVEF-OEAKJJBVSA-N	408.483	3.263	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)c(C)c1	12937530	QRULVEYGGYHQDW-UHFFFAOYSA-N	419.503	3.118	50	40	HGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1	58882844	XXRZQBPKJDSRLP-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1	59366758	SABXFTVKLABLKI-PTGBLXJZSA-N	407.495	3.422	50	40	HGGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1O[C@H](C)CC	409019218	YLJNGKQOEMXBCW-IYPWXLATSA-N	404.248	3.337	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O	408906580	HUOBRUYCEMULQW-DQAKUKQTSA-N	414.314	3.298	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)cc1	409226812	XEEQFLMVSRCNRR-RIYZIHGNSA-N	414.259	3.167	50	40	HGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1	409027737	PYVDNRSOBPNLDY-KGENOOAVSA-N	407.923	3.209	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCC	59334687	QWYANNADDHWGMM-GHXNOFRVSA-N	414.243	3.084	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2)c1	6207119	XABRIJCQCUCOPN-KGENOOAVSA-N	413.524	3.402	50	40	HGGB	
CC1(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)SCCS1	409222742	DXPMWLDULZCWGC-VIZOYTHASA-N	420.310	3.099	50	40	HGGB	
Cc1cc(NC(=O)N/N=C\c2ccc3c(c2)n(C)c(=O)n3C)ccc1Br	408904162	FSKWYFCIEHMYQJ-JMIUGGIZSA-N	416.279	3.104	50	40	HGGB	
COc1ccc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1	409003018	YBWKJBNVRVZODZ-RGVLZGJSSA-N	402.476	3.053	50	40	HGGB	
O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NNC(=O)c1ccccn1	199413153	RFXUCSGUCJDHRM-UHFFFAOYSA-N	404.426	3.054	50	40	HGGB	
Cc1ccc2nc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)sc2c1	408677287	BMRDWDUCTRGNIG-ZXNRBLBOSA-N	407.289	3.114	50	40	HGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)c(OC)c1	33654203	DQYOFODRXLRUAD-YSURURNPSA-N	412.519	3.201	50	40	HGGB	
CCCOC[C@H](O)C[C@@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	5585099	HPPXOFJGKHBUTD-UYAOXDASSA-N	415.559	3.041	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1ccc(Cl)cc1	23136126	WAUUTWDLNGDRIH-UHFFFAOYSA-N	414.824	3.156	50	40	HGGB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(SC#N)cc3[N+](=O)[O-])C2=O)cc1	95471553	NWOGDFBBZDMLFS-ZROIWOOFSA-N	423.410	3.055	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	105314125	GZLDHLQJQPOCIY-HHMBNNFFSA-N	419.157	3.487	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	408528742	IDPMRJVENUCWNJ-OPEKNORGSA-N	423.391	3.210	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1	408906529	GRRBBDDZHSPUKY-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409160971	RVIJINWTPFIPKW-BRJLIKDPSA-N	406.486	3.176	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@H]1c1cccc(Br)c1	409322159	JBVMEEIUCMNKMK-AWEZNQCLSA-N	420.332	3.143	50	40	HGGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cccc(Cl)c1	1444179	SJGPMMJPLSPQTM-GIJQJNRQSA-N	414.630	3.474	50	40	HGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21	10315685	QTJONIRTFNEVRY-ZVHZXABRSA-N	407.470	3.296	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	58911909	OFLBDAQMWGFJAO-STPJHCLOSA-N	418.497	3.430	50	40	HGGB	
N#C/C(C(=O)CSc1n[nH]c(=O)n1C1CC1)=C1/Nc2cc(Cl)ccc2S1	104582825	TWXNGPNVEKWXTE-GXDHUFHOSA-N	405.892	3.174	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	408941825	QNXACICGFISJJV-OVMKCGGTSA-N	419.323	3.221	50	40	HGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Oc2ccccc2)cc1	408972976	JEIDTHNYWSGAJU-YDZHTSKRSA-N	403.394	3.296	50	40	HGGB	
O=C(OC(=O)[C@H](Br)CC(F)(F)F)[C@@H](Br)CC(F)(F)F	885164035	DPAVLQLMPXIPHX-ZXZARUISSA-N	423.929	3.488	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1	3144825	QFZYRPHMGCCTBQ-WPWMEQJKSA-N	414.509	3.151	50	40	HGGB	
Cc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1	39986437	QXVFCRLMPIXPIK-KQWNVCNZSA-N	413.543	3.469	50	40	HGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408796954	QLKXDRHTMVWHRC-QGOAFFKASA-N	422.437	3.351	50	40	HGGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@H](c1cccnc1)C(C#N)=C(N)O3	803961	VNCRYASAEUZZRN-CQSZACIVSA-N	401.451	3.368	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O	1229489	VZYDGTOMPGIVBL-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=O)c1cc2c(s1)CCC2	14244765	MYOGWQZLEIIVMJ-SNVBAGLBSA-N	409.305	3.228	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1O[C@@H](C)C(=O)O	409232718	BOELNABNPUIASY-FVQJWRHTSA-N	407.426	3.102	50	40	HGGB	
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl	5752186	FCSHDIVRCWTZOX-ASCNRHBSSA-N	410.913	3.142	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(O)c4)CC(=O)N32)cc1OC	12275198	LCURLRLVMSYLHJ-KSFYIVLOSA-N	424.478	3.053	50	40	HGGB	
O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1C1CCCCC1)[C@@H](Br)[C@@H]3Br	226763737	FIGDEIISZPQCOA-JOLBHGKHSA-N	405.130	3.097	50	40	HGGB	
COC(=O)C(=C[C@H](Br)[C@H](Br)c1ccccc1)C(=O)OC	1716639	IYKXVSGKMJGACF-NWDGAFQWSA-N	406.070	3.159	50	40	HGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc2c(c1)OCO2	3359682	YEXVVOFPYRXLDM-UHFFFAOYSA-N	411.241	3.342	50	40	HGGB	
Cc1nc(Cc2ccccc2)[nH]c(=O)c1C[C@@H](Br)CBr	6664034	AESGTDBJHREAMW-GFCCVEGCSA-N	400.114	3.370	50	40	HGGB	
O=C(CCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	9062414	VNWIKYFVOFJRSU-UHFFFAOYSA-N	401.766	3.074	50	40	HGGB	
COc1c(Br)cc(/C=N/NC(=O)c2cccnc2)cc1Br	9846809	MROJRIOFLSDDMR-CNHKJKLMSA-N	413.069	3.379	50	40	HGGB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1	109210391	BHVYCRGZAGBXFX-AQTBWJFISA-N	420.498	3.403	50	40	HGGB	
C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253616687	YZPBDMRZRBJWSE-ILYOHJNTSA-N	406.611	3.383	50	40	HGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(C)=O)c(Br)c1	408755427	NNNUTOZOHOQMTN-KEBDBYFISA-N	405.248	3.455	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)COc2ccccc2Cc2ccccc2)c1	3366607	PFGNHXJSEMXVTB-UHFFFAOYSA-N	420.465	3.135	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc(I)o1)C(C#N)=C2N	4993219	AVSYGQHCWIAVPO-OAHLLOKOSA-N	410.211	3.335	50	40	HGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc(C#N)cc3)cc2)n1	6329819	POFLCACEUUQJFM-UHFFFAOYSA-N	417.494	3.332	50	40	HGGB	
CCOc1ccccc1OCCCC(=O)NNC(=O)c1cc(Cl)ccc1OC	8145987	CGGDQKGUPAFGCP-UHFFFAOYSA-N	406.866	3.368	50	40	HGGB	
C[C@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	251279246	YZPBDMRZRBJWSE-CZRJVIGRSA-N	406.611	3.383	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Br)c1O	880777	MZQQBLMJETUMDS-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1	1247103	XRMVHVWMWXCBID-UHFFFAOYSA-N	424.453	3.455	50	40	HGGB	biogenic
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	3145471	GQPFAEQGCHLCIX-SFHVURJKSA-N	406.394	3.037	50	40	HGGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1ccc(Br)cc1	4498965	XQAWEFHZLKKXEC-RDGNPJLJSA-N	412.287	3.094	50	40	HGGB	
COc1cc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc(OC)c1OC	4524011	SNIHTVHCIUDEDU-VAWYXSNFSA-N	406.438	3.340	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1	6562969	ZXNUZRHOGBXZDM-VCHYOVAHSA-N	407.211	3.014	50	40	HGGB	
ClCCOC[C@@H]1CO[C@H]([C@@H]2CC[C@@H](Br)[C@@H](Br)C2)O1	221858604	OAQDQNCZAWNUEV-JCIQBVFBSA-N	406.542	3.310	50	40	HGGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1	408707059	GPBFTJFBXOPICE-AMAFCZHPSA-N	414.893	3.137	50	40	HGGB	
O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	408923958	IPAXQNJNQWDRJH-UHFFFAOYSA-N	403.685	3.427	50	40	HGGB	
O=S(=O)(OCCBr)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	1083812585	VNVPVSNCGAAWNC-UHFFFAOYSA-N	407.048	3.153	50	40	HGGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1c[nH]c2ccccc12	1920496	KYFLPFMODPIXDB-WSDLNYQXSA-N	419.470	3.356	50	40	HGGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)CCO)cc1)c1nc2cc(Cl)ccc2o1	3037192	XHYHOWUVFWSHPJ-QXMHVHEDSA-N	403.847	3.224	50	40	HGGB	
Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1	6504226	ZJVXSCDZFATVLW-UHFFFAOYSA-N	406.305	3.015	50	40	HGGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21	13567608	VKDKJKYHMVNFFY-VWLOTQADSA-N	423.476	3.073	50	40	HGGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12	15224820	RBZWCIOQJGHHQF-HKWRFOASSA-N	400.482	3.270	50	40	HGGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1	28215678	MXUAGEZEQARDHX-BUVRLJJBSA-N	403.438	3.477	50	40	HGGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)cc1	40137528	LFKKGUSVCAWFPF-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)cc1C	59472749	QBTJNXVLURSDMJ-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)Nc1cccc(Cl)c1	408725148	JOCKHDKKVXUBAW-UHFFFAOYSA-N	424.896	3.439	50	40	HGGB	
CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	409016174	SQPDZUHAQHFCFZ-DJKKODMXSA-N	412.202	3.479	50	40	HGGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(S(N)(=O)=O)cc3)[nH]c2c1	5897528	MXARORGUOZCFJX-QINSGFPZSA-N	403.467	3.374	50	40	HGGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567661	NNBJYJVYALTQAB-AREMUKBSSA-N	420.472	3.125	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cccs1	40950828	OMKVNUYEAYMEHO-PJQLUOCWSA-N	420.082	3.448	50	40	HGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccs2)cc1)c1ccccc1	408865691	DLVSJXXQWFUYQC-KGENOOAVSA-N	413.524	3.478	50	40	HGGB	
CCOc1cc2c(cc1/C=N\NC(=O)COc1ccc(Br)cc1)OCO2	409094748	FYTVPDCDNAOZSO-UKWGHVSLSA-N	421.247	3.106	50	40	HGGB	
O=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	3089805	XRMMQWVIBCCGJO-CNHKJKLMSA-N	413.173	3.339	50	40	HGGB	
Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)c1	4512063	XJUQBSDOUZNLDJ-WSDLNYQXSA-N	400.435	3.487	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1	32755036	ACAMJSQMPAMGQS-MRXNPFEDSA-N	413.543	3.359	50	40	HGGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c1C	58914300	AFFJQKRCHOQTFL-DICXZTSXSA-N	417.513	3.263	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C1=O	100547663	RSENKQGFQBGRLI-NNYUYHANSA-N	401.098	3.421	50	40	HGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccccc2Cl)cc1OC	101904090	RZYHWLXJJIKZSR-YDZHTSKRSA-N	403.866	3.169	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	408934867	CXWWJOVOCZKDGK-JHAVZTMOSA-N	404.898	3.121	50	40	HGGB	
CCOc1ccccc1/C=N/NC(=O)CNc1ccc(I)cc1	409252495	CATXOHWUFMAVNM-RGVLZGJSSA-N	423.254	3.252	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc2ccccc12	409391861	LVRPWHOCSAFFND-FSJBWODESA-N	408.414	3.327	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1	6363902	QTUAIUZGEUEAFP-YXCOWNBQSA-N	418.559	3.407	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)[C@@H](O)c1ccccc1	409357458	IIAACEUONTXKQI-VSIOZEBNSA-N	405.410	3.358	50	40	HGGB	
N#Cc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1	6146931	QXUKDMJDKPWEQA-FYJGNVAPSA-N	410.480	3.184	50	40	HGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccccc2Br)c1	4603490	UCPFGYCTRCJGMF-UHFFFAOYSA-N	418.291	3.246	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1	5773337	SWLAVROBGRTKAO-UHFFFAOYSA-N	423.538	3.062	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)c1	408592626	ZUFXQNCIFJLPBG-GQBLCDNYSA-N	405.454	3.064	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1[N+](=O)[O-]	408866350	GYBUNEWZYLKEKX-VXLYETTFSA-N	405.252	3.496	50	40	HGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccccc1Br	3233007	BBZKHHMRGDHYAO-CJLVFECKSA-N	415.335	3.112	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	16758952	JXMAOVQKYIURTI-URTGMZOISA-N	401.850	3.391	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3oc2=O)c(OC)c1	864972	AHZNSBUHCPENFM-MHWRWJLKSA-N	419.389	3.491	50	40	HGGB	
Cc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O	2397712	VPULOFUKUTYEPT-NRFANRHFSA-N	415.449	3.354	50	40	HGGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1	4697816	CXYYYOMYLMSITH-OEAKJJBVSA-N	413.430	3.097	50	40	HGGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3OC)CC(=O)N2)c1	9089379	SZWCHERNDDBOCA-KRWDZBQOSA-N	423.494	3.414	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	20060556	GGJGLGNHZQOSJO-HZHRSRAPSA-N	423.494	3.046	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59433893	BRJDPDGNQLWDOO-ODCIPOBUSA-N	414.727	3.356	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1	4906657	ZSYNCZWHVYKZKE-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O1	717986	BNIYGJKRERNMGB-QGZVFWFLSA-N	402.447	3.137	50	40	HGGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1cccnc1	1474266	WYYRLXRNTWEFJD-ZVHZXABRSA-N	415.478	3.023	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C1/C(O)=Nc2c(Br)cc(F)cc21	3337354	IMAJAOSMXKWCBN-UHFFFAOYSA-N	422.210	3.098	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1	4703036	NFLUHDASXXCRDK-UGVMZYNRSA-N	400.276	3.261	50	40	HGGB	
CCCCCCC(=O)NN/C(CC)=C1/C(=O)N=C(O)N(c2ccc(C)cc2)C1=O	9013225	UZSHCUXQSBCJAO-VLGSPTGOSA-N	400.479	3.038	50	40	HGGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1	409361465	HITKOLLVMIXFFN-OCKHKDLRSA-N	406.236	3.373	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(F)cc4)c(=O)c23)C1	31783320	FUTGKWDRJVKFIE-LKUCAWNLSA-N	412.490	3.433	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1	4507705	CAJIWGMDDLSLEE-FOWTUZBSSA-N	407.451	3.448	50	40	HGGB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	7928105	UNWKLQBUENHLCO-CYBMUJFWSA-N	406.269	3.116	50	40	HGGB	
CN1C(=C(C#N)C(=O)CSc2nnnn2C2CCCCC2)N(C)c2ccccc21	12609216	FJEMVZTWIQPEIR-UHFFFAOYSA-N	409.519	3.161	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2c(C)cc(O)cc2O)c(Br)c1	15938622	WMDVSWMPCGWTSE-ZBKNUEDVSA-N	407.264	3.315	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)ccc1OCC#N	33553308	VZPNUXOJJMFZQF-SSDVNMTOSA-N	424.369	3.024	50	40	HGGB	
O=C(N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	3299759	QPUDVOFHVUZJRX-LSHDLFTRSA-N	423.410	3.029	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	58912469	MGDOIDJUZIMBCL-SSDVNMTOSA-N	407.301	3.473	50	40	HGGB	
O=C1OC(=O)C(Sc2ccccc2C(=O)O)=C1Sc1ccccc1C(=O)O	95676357	VXURWPWGEIBNAM-UHFFFAOYSA-N	402.405	3.262	50	40	HGGB	
Cc1cccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)c1	409060943	XEBJPBOXULZYLF-ROTLSHHCSA-N	419.872	3.447	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OC	409310756	WKHFWXACBUNLDI-JJFYIABZSA-N	420.849	3.365	50	40	HGGB	
Cc1ccc(SCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1C	8341631	GPMFQORSLJFIGM-UHFFFAOYSA-N	406.891	3.053	50	40	HGGB	
O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cnccn1	11218261	AYWRCSAQPXABAB-UHFFFAOYSA-N	403.829	3.420	50	40	HGGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1	32220695	ORQHFQVEAOKAOR-RUBCORFASA-N	404.378	3.391	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cc(Cl)ccc1OC	408606843	RHEYJAOQSTULLT-HNNXBMFYSA-N	404.879	3.297	50	40	HGGB	
O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1	409004242	BMXOPVSRUYOEPV-YDZHTSKRSA-N	413.861	3.041	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409006054	LLNXARXWBGUIDO-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1cccc(Cl)c1	58914295	LCDRLZVMVBMRAH-WGARJPEWSA-N	423.904	3.299	50	40	HGGB	
O=C(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1	58914876	RLVRHHFZEYBZHJ-OEAKJJBVSA-N	406.398	3.011	50	40	HGGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(=O)O)cc2)N2NC=C(C#N)C2=N1	13569317	MIUJZVRASNQWMD-FQEVSTJZSA-N	413.437	3.287	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1	409016203	STKCONOWEDTSPS-AWQFTUOYSA-N	417.263	3.186	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	245377499	LPWHFFOAXYBDJY-UQPQVDFHSA-N	413.109	3.277	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc(Cl)c1O	2752299	CJUKFXKKQVYVJL-IFRROFPPSA-N	416.648	3.450	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1	2675695	GYMXGRUXLFORAW-SSDVNMTOSA-N	402.292	3.453	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1	59566521	IAKNBNSDIRLRQD-ZVHZXABRSA-N	420.469	3.200	50	40	HGGB	
CCCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)N(CCCCl)C1=O	2178644	BDNVATXLVCJDRU-VBKFSLOCSA-N	408.882	3.307	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCc1c(Cl)cccc1Cl	408610207	MUHAKYLVYUJHPB-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(Br)cc2Cl)C1=O	9306389	GYGPTHHGDRLRIL-LCYFTJDESA-N	424.682	3.254	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)ccc1O	17092930	MQHXPHPENKZBPW-NUGSKGIGSA-N	422.363	3.330	50	40	HGGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(I)c1	408782613	XHZOJFGXKMNDMC-LICLKQGHSA-N	409.183	3.353	50	40	HGGB	
CCn1nccc1/C(C)=N\NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1	17082204	XKTUKLCVJPMFOW-MYYYXRDXSA-N	401.474	3.408	50	40	HGGB	
CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(=O)c1ccncc1	17211468	BSZZXVQQFQKMQO-CQKAXJAZSA-N	409.534	3.401	50	40	HGGB	
COC(=O)[C@@H](Br)[C@@H](Br)c1cc(OC)c(OC)c(OC)c1	1704040	JLZNLULNALKSKA-QWRGUYRKSA-N	412.074	3.085	50	40	HGGB	
CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Br	2272831	UEGIQMKLDSWLHQ-STQMWFEESA-N	413.312	3.373	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)[C@H]1COc2ccccc2O1	3337723	GEIIBADFXVPJIG-BVGGCTRESA-N	414.311	3.180	50	40	HGGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	12735866	BKBXEKGIYQRXRG-GFCCVEGCSA-N	417.437	3.246	50	40	HGGB	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1	15621380	FSPJUMCFUDZAQE-ZDUSSCGKSA-N	420.296	3.370	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(C)c1O	20100764	IRASIHDQJWRITO-KEBDBYFISA-N	407.264	3.391	50	40	HGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	20213507	TVMKCUPBFNPORX-UHFFFAOYSA-N	400.504	3.103	50	40	HGGB	
CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C)C3)[C@@H]2C(=O)O	225588236	RGSUWFWNRXLWAW-MLOYEQCSSA-N	416.543	3.327	50	40	HGGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)NCc1ccccc1	409039745	DGMSNRFHBVPTOE-OVCLIPMQSA-N	415.243	3.136	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	409086638	ADAKICLDJCZFKA-LSHDLFTRSA-N	411.345	3.415	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	3238617	XHICPQBHDMMDHJ-HZHRSRAPSA-N	424.526	3.415	50	40	HGGB	
O=C(NNc1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	5810472	OSEPBJOMVJGXKO-UYRXBGFRSA-N	401.422	3.330	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(CC)cc3)[C@H]2C1	20000395	WVUISOZSNLXKEM-PMACEKPBSA-N	401.470	3.131	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1cccs1	409028452	MRHMMLVIIPRQRS-VCHYOVAHSA-N	420.343	3.361	50	40	HGGB	
CCOc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)ccc1OC	409312240	KJDOIZQYXBPWID-JMIUGGIZSA-N	423.263	3.335	50	40	HGGB	
COc1cccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)c1	2361645	DTIMUWKKAQHONQ-MNTXUITRSA-N	413.886	3.260	50	40	HGGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1ccc(Br)cc1	4498972	XQAWEFHZLKKXEC-RIQNIPSWSA-N	412.287	3.094	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2c2ccccc2)ccc1O	6180955	IJMAMDFSRGLGQZ-GSYMPFBVSA-N	404.422	3.432	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@H]2c2cccs2)cc1	7216166	PMSRTOCEHQKPKO-SFHVURJKSA-N	400.548	3.192	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1OC	8565981	LVXCISVMRDLRFF-OAHLLOKOSA-N	410.455	3.382	50	40	HGGB	
CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	9886229	JAHLPKUKHVXIFX-OWLNGIFZSA-N	420.469	3.220	50	40	HGGB	
N#C/C(=C(/S)Nc1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	13121668	DQRVGPXPIGXDIJ-ZZEZOPTASA-N	404.499	3.338	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)NCCc1ccccc1	58883068	INZCLXNUUXDBRA-YUMHPJSZSA-N	419.456	3.327	50	40	HGGB	
CC(C)NC(=C(C#N)C#N)[C@@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N	78547367	JHTOBOLMISIACT-VQIMIIECSA-N	405.259	3.389	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cc2c(s1)CCCCC2	84372102	YCJGXMQJMAXBDI-INIZCTEOSA-N	401.463	3.110	50	40	HGGB	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNC(=O)c1cc2ccccc2oc1=O	649795	DAFKMDYYQHYHNH-CQSZACIVSA-N	402.406	3.175	50	40	HGGB	
COc1ccc2c(c1)C[C@H](C)C/C2=N\NC(=O)CSCC(=O)Nc1ccccc1	4474718	QXRQUGLLOZZMPL-HNZYNWIWSA-N	411.527	3.470	50	40	HGGB	
CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=N/NC(N)=O)cc1	4512085	IAJSIDKNPCPFTE-LPYMAVHISA-N	400.435	3.352	50	40	HGGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1OC	5457468	DOIMVZMLRBALIV-GOSISDBHSA-N	404.426	3.408	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1	11334504	BSVQWQNAUJNZRC-UHFFFAOYSA-N	409.515	3.415	50	40	HGGB	
C[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	15623843	MMSQWQTXKAUUIT-JMJZKYOTSA-N	416.692	3.430	50	40	HGGB	
Cc1ccc(SCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	16310935	VJBKRTIDILTOSO-UHFFFAOYSA-N	404.289	3.322	50	40	HGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccc(Cl)c1	19367338	WGFRKXWKIPZUPX-YDZHTSKRSA-N	405.329	3.261	50	40	HGGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C\c3ccccc3C(F)(F)F)CC2)cc1	20130141	VNBCECZQRRMMIU-WGARJPEWSA-N	418.463	3.282	50	40	HGGB	
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)c1ccc[nH]1	39983290	OXNDQODTMCNQPX-UHFFFAOYSA-N	423.860	3.058	50	40	HGGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc(Br)c1O	408877500	RXLNGCJVMJSTLF-DZDNCDRKSA-N	419.231	3.056	50	40	HGGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	1435646	CGBVZIRGQFEFSR-VULFUBBASA-N	417.396	3.446	50	40	HGGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	2439165	QUGRSTPGAFPXDS-JMCQJSRRSA-N	410.282	3.133	50	40	HGGB	
C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccn1	6288038	WCPDTQPUZFYVKU-DEDYPNTBSA-N	400.485	3.098	50	40	HGGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	7787113	YESFHNWOACDOHS-SRZZPIQSSA-N	418.291	3.003	50	40	HGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	13773770	XNLOCCZXYQOLRO-ATVHPVEESA-N	418.453	3.047	50	40	HGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)Cc1ccc(Cl)cc1	100522803	PTHNGGKHQUWXLY-YDZHTSKRSA-N	401.850	3.175	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2O)c(OC)c1	408882584	RIDXAPNQNMFQGX-VGOFMYFVSA-N	417.259	3.395	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I	408967420	QNOLLXBQDJOJGT-AWQFTUOYSA-N	423.185	3.074	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(C)cc2)cc1	409000126	DTUYOAMIHPCQCM-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)NCCc1c[nH]c2ccccc12	9886240	DZKKOGVWVKJTOR-UYRXBGFRSA-N	418.472	3.409	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1	20213122	UDYNPUFEJZIFEQ-FYJGNVAPSA-N	411.886	3.094	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(N)=O)ccc1OCCOCCOc1ccc(C)cc1	23402394	FWBLBBVNBIRZHM-RGEXLXHISA-N	410.470	3.260	50	40	HGGB	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1C	21970917	GMCBPMZMEXYTLE-UHFFFAOYSA-N	403.504	3.213	50	40	HGGB	
Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C	12787154	DQFUAHQVOYNTOC-UHFFFAOYSA-N	423.288	3.435	50	40	HGGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(F)c(F)c3)cs2)cc1	12801404	SMUSNVWILOVWQQ-UHFFFAOYSA-N	423.466	3.274	50	40	HGGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccccn3)c3ccccc32)o1	409393572	QSCSKTKYIYZTEQ-WYMPLXKRSA-N	402.410	3.228	50	40	HGGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)cc1	4508733	HIRVWKYFISEYHT-UHFFFAOYSA-N	415.449	3.341	50	40	HGGB	biogenic
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NC[C@H]1CCCO1	4525054	PZMQJUCNHYYCIV-ZNQKWNQWSA-N	406.438	3.166	50	40	HGGB	
O=C1Nc2cc(Br)ccc2/C1=N/NC(=O)C12CC3CC(CC(C3)C1)C2	13765028	PDVQWKBOJCEPBU-UHFFFAOYSA-N	402.292	3.438	50	40	HGGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	19926339	XDDZHZZHVRHGIF-FYJGNVAPSA-N	417.874	3.279	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408897043	PYJWOQAEEXDUJL-KPKJPENVSA-N	401.762	3.257	50	40	HGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	59463312	UQJXRIRHHJGCNB-LSHDLFTRSA-N	408.370	3.146	50	40	HGGB	
O=C(O)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1	1434958	BWEDFIQDCKKNNE-BUVRLJJBSA-N	411.421	3.396	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1	58912914	TUUBZYMJFPPIGY-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)CC1	26967689	HKXYKFYLXRREIT-NTCAYCPXSA-N	400.276	3.390	50	40	HGGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)c1	5149533	ALFXUGUFKWARSD-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)cc1[N+](=O)[O-]	409356221	FUCHBLIOPWKXTR-RGVLZGJSSA-N	421.251	3.318	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408963063	MDIHMYFFAMSFNO-FSJBWODESA-N	422.363	3.214	50	40	HGGB	
C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1ccc(Br)cc1	35494317	PIMRUXUYGQINCR-BKUYFWCQSA-N	401.260	3.163	50	40	HGGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(N)(=O)=O)cc3)n2)cc1	4817115	AQDHUPWYOGZOCB-SDNWHVSQSA-N	412.496	3.443	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])cc1	4843891	MXVITEIGVPNTBI-FSJBWODESA-N	406.398	3.341	50	40	HGGB	
Cc1cccc(NC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccnc3)c3ccccc32)c1	5325281	JMFBYOHXMVRZQL-MRCUWXFGSA-N	407.433	3.454	50	40	HGGB	
Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)ccc1Cl	6500924	MNCNSULYFSEXPS-UHFFFAOYSA-N	412.298	3.016	50	40	HGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1O	8854963	BXHJIPMTUGGJBP-QGZVFWFLSA-N	419.397	3.307	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3cccnc3)c2)cc1	9283605	YAOYRPQTSKQQBN-HZHRSRAPSA-N	424.482	3.045	50	40	HGGB	
COc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccc(C(C)(C)C)cc2)cc1	36724724	ZZWAUSJWCOHTDK-UHFFFAOYSA-N	411.531	3.322	50	40	HGGB	
O=C(CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)NCCc1ccccc1	59516036	NOIMIBZHSZBDJQ-OVVQPSECSA-N	415.493	3.465	50	40	HGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(OC)c2)cc1OC	97990544	JUJDQGMCVKGPJY-NVNXTCNLSA-N	416.861	3.337	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	408946689	ZKGLGIFDZKHMJI-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3	954764	KFJMTLIXCACICY-SJGMLKTKSA-N	400.529	3.103	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)nc1	6966987	VIFSRCADGICERO-FOKLQQMPSA-N	408.531	3.447	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2)cc1	32125507	RRHQTBYKQVAYQF-JJFYIABZSA-N	404.850	3.200	50	40	HGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1	408907257	NONKCTYWLHPIED-HADWXUJASA-N	423.922	3.044	50	40	HGGB	
O=C(NNC(=O)c1ccccc1OC[C@H]1CCCO1)c1cc2ccccc2cc1O	12764558	PIFOUDHMOXBKRX-QGZVFWFLSA-N	406.438	3.178	50	40	HGGB	
CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCCBr	4066390	UAROJXNYPOZUOE-MRXNPFEDSA-N	411.296	3.432	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	9905706	CQXOSCMFZOJELX-KPSZGOFPSA-N	412.185	3.159	50	40	HGGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409239729	DQVHXIYIRJZDQT-UUYOSTAYSA-N	419.250	3.302	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	3089053	ZPAOUHKHQRBWBJ-ZMOGYAJESA-N	415.877	3.070	50	40	HGGB	
C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)c1cc(Cl)ccc1O	5363820	PJNACPUUDFNXTP-SRZZPIQSSA-N	404.810	3.397	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1	1268853	MBRFPZOWICWALP-LJQANCHMSA-N	405.479	3.493	50	40	HGGB	
CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)SSc1ncccc1[N+](=O)[O-]	2560799	KBMFCGVAENSRSY-SNVBAGLBSA-N	403.482	3.487	50	40	HGGB	
C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(N(C)C)cc1	408958600	ZKLGYYYFTFVQQY-HJWRWDBZSA-N	415.309	3.293	50	40	HGGB	
CC(C)(C)C(=O)OC(=O)NCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1	616581135	YJLZLZFGYMKICL-UHFFFAOYSA-N	412.442	3.114	50	40	HGGB	
CCOc1ccccc1/C=N/NC(=O)COc1ccc(I)cc1	1427487	VLZHJJGZLFDVBC-YBFXNURJSA-N	424.238	3.219	50	40	HGGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3)sc2=O)c1	2342260	AOFOECMGXMCBNK-UFFVCSGVSA-N	415.858	3.074	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	4544459	JUIMSEYUHNVURN-QUYZQLMHSA-N	408.454	3.421	50	40	HGGB	
CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6262857	ZZLDLUKGQVFHGM-UHFFFAOYSA-N	405.907	3.324	50	40	HGGB	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1c[nH]c2ccccc12	9425456	TZSQRDYCGFOBDJ-AWQFTUOYSA-N	417.219	3.368	50	40	HGGB	
COC(=O)c1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)oc1C	14190771	WNUJWHLFNRQZSE-VGOFMYFVSA-N	410.245	3.476	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)c(C)c1	58911741	LEXQSRFYNNXKCR-CVKSISIWSA-N	402.498	3.477	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	105314120	GZLDHLQJQPOCIY-XMPVJMIMSA-N	419.157	3.487	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1	877134	NHERNLZWDZOEOE-UHFFFAOYSA-N	419.510	3.361	50	40	HGGB	
CN(C)CCOC(=O)c1cc(CCBr)cc(CCBr)c1	1720503	AEWJTKVTGMWYLJ-UHFFFAOYSA-N	407.146	3.280	50	40	HGGB	
COc1ccc(CC(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(OC)c1OC	7965594	ZRWGXSNQBTXFPB-UHFFFAOYSA-N	418.515	3.047	50	40	HGGB	
O=C(CN1CCCCCC1=O)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	12778337	YNRGSISTAQGWRV-NRFANRHFSA-N	411.527	3.070	50	40	HGGB	
O=C(NNC(=O)c1cccnc1SC(F)F)c1ccccc1Br	12971882	HTBJEXSDFVVYIN-UHFFFAOYSA-N	402.220	3.234	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1	31858931	VUSLUJNAAXIDHT-DOQYOOLYSA-N	410.499	3.057	50	40	HGGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)c1	408591249	SHSHBCDEDYQSKC-IBUSPFOHSA-N	419.481	3.455	50	40	HGGB	
O=C(N/N=C/c1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409006614	QAXFJIZGYKOTSC-FSJBWODESA-N	405.285	3.391	50	40	HGGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409221864	VMLHOASTJCJRJB-UUYOSTAYSA-N	419.250	3.302	50	40	HGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(OC)c1	951092	RZXKPXYMMOTWQH-BOJOMDSJSA-N	418.405	3.296	50	40	HGGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	7931908	PZNURSJKJZWPNZ-SRZZPIQSSA-N	403.847	3.011	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)c1	12861062	UPHXCNDCFOBNHZ-CYBMUJFWSA-N	406.866	3.203	50	40	HGGB	
C#CCN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	18142404	LCLQBIPYLKZKLH-RVROXKIYSA-N	419.484	3.493	50	40	HGGB	
N#CC1(O)CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1	101457454	FKSYUTQGGJNQOK-UHFFFAOYSA-N	420.238	3.266	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	102069877	UWDIAGSZSXHNFQ-NDBYEHHHSA-N	401.098	3.421	50	40	HGGB	
COc1cccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1O[C@H](C)C(=O)O	409228233	WFUFCWCEZUGIOY-SKBUGYKVSA-N	424.375	3.259	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	9057228	BWEITCPWWXXZDI-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O3	15083782	UEZYDFINRJKGTG-CQSZACIVSA-N	419.466	3.120	50	40	HGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccc(N(C)C)cc2)c2ccccc21	20330011	GVNQCVPYRHKNBB-LVWGJNHUSA-N	421.545	3.313	50	40	HGGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2	35105005	ZLJZEULMDAFEHN-FMCGGJTJSA-N	420.425	3.424	50	40	HGGB	
Cc1nc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)sc1CC(N)=O	40025080	FBAZBVAHQIJVSJ-YFYRARJZSA-N	416.553	3.482	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)sc2ncnc(N)c12	408972337	ATNVTSRJQLIIBX-KTZMUZOWSA-N	421.438	3.304	50	40	HGGB	
C/C(=N/NC(=O)c1cc2c(s1)C[C@@H](C)CC2)c1cccc(NS(C)(=O)=O)c1	17083239	MCFFNICUPQNVKK-HLBVEJKMSA-N	405.545	3.398	50	40	HGGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	20211928	YOJKIIPIBDEMBU-XQNSMLJCSA-N	419.522	3.452	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(CC)cc3)[C@@H]2C1	19816344	WVUISOZSNLXKEM-WOJBJXKFSA-N	401.470	3.131	50	40	HGGB	
COc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	34737411	VFWDTSPGAINCMY-GRSHGNNSSA-N	422.235	3.067	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3cc(Cl)ccc31)C(C#N)=C(N)O2	994137	SMHCWLPYRGBYHS-OAQYLSRUSA-N	403.829	3.159	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1	4199169	CSTKDUMSQGIZFM-DJKKODMXSA-N	410.655	3.200	50	40	HGGB	
O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	5025058	JSTWVPCHCFPVFI-MBUMNQNDSA-N	418.453	3.114	50	40	HGGB	
COc1ccc(CC(=O)NNC(=O)c2ccccc2NC(=O)c2cccs2)cc1	6127885	KAPTUFSPYPHJAQ-UHFFFAOYSA-N	409.467	3.013	50	40	HGGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1	8321170	ATZSLFYKODMXFZ-FSJBWODESA-N	413.543	3.282	50	40	HGGB	
O=C(NNC(=O)c1ccc[n+]([O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1	22023943	UHMOTZJHEOYIML-UHFFFAOYSA-N	413.886	3.341	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc(Br)c1OC	35324600	NAGAMFAAQBJQOY-MRXNPFEDSA-N	402.248	3.267	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)N2C(=N1)SC(C#N)=C2N	408603390	GKHLYYWSMRBYMA-KRWDZBQOSA-N	412.471	3.143	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1	408999531	DDQAVYNTZFYOBA-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	409260637	TVFKIEJQCUGWNF-WORIPGKHSA-N	409.486	3.377	50	40	HGGB	
O=C(N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O)c1ccccc1	5119237	ATUOEZURORVULU-SFHVURJKSA-N	409.313	3.396	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@H]2C1	4453030	CVXIPSAEKXLKJH-PMACEKPBSA-N	401.470	3.034	50	40	HGGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21	4944746	UARRCEZVMFCHQX-XMMPIXPASA-N	414.440	3.261	50	40	HGGB	
CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N/NC(=O)Cc2ccccc2)c1C	6439327	RHAIBNVPEKPYTJ-LPYMAVHISA-N	401.488	3.275	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1cc(Cl)ccc1Cl	28216610	AXLDGSLWOOVVTH-SSDVNMTOSA-N	409.317	3.183	50	40	HGGB	
C[C@@H](C(=O)N/N=C\c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	31783306	FUTGKWDRJVKFIE-JIBSWZEXSA-N	412.490	3.433	50	40	HGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)O)cc2)cc1	33516349	LEADRGIKBNKMEK-UHFFFAOYSA-N	417.421	3.020	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(Cl)cc1	408774050	ABBKXMFARQYNTF-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	408785438	YXNSFTVTYAVEFB-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cc(OC)ccc2OC)cc1	408796895	FCRVRFRQNLYWCX-QGOAFFKASA-N	410.470	3.342	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(N)=C(C#N)O2	585145610	CKQAZIGRCMGSRB-NRFANRHFSA-N	403.829	3.159	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1	6236858	YSJFLVXEXUPENT-UHFFFAOYSA-N	406.438	3.211	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1Cl	6306829	AIDVROXQSSESHP-CYBMUJFWSA-N	407.923	3.193	50	40	HGGB	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Br)cc2c(=O)[nH]1	25582490	QDEMOSSJHANPHL-BJMVGYQFSA-N	413.187	3.364	50	40	HGGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967440	RLAZNBQOCKJGOO-AQTBWJFISA-N	420.494	3.287	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1OC(=O)c1ccco1	409053453	KDCYELXCPDRIIQ-OEAKJJBVSA-N	407.426	3.337	50	40	HGGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2Br)c1	409227026	OHPHPUQXFNKRKX-NVNXTCNLSA-N	414.259	3.438	50	40	HGGB	
O=C(Cc1nnc(NC(=O)c2ccco2)s1)N/N=C/c1c(Cl)cccc1Cl	1104180	VTBGGGFIPXNMPL-UFWORHAWSA-N	424.269	3.383	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3o2)c(OC)c1	1783180	AYIVSLGCRYVPTK-GZTJUZNOSA-N	420.421	3.330	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)ccc1OCCOc1ccc(Br)cc1	4512326	VXNUJXQWDYOTSP-UDWIEESQSA-N	407.264	3.386	50	40	HGGB	
CCOC(=O)/C(C#N)=C1/C(=O)Nc2c(Br)cc(Br)cc21	4574930	COFIZFBINJAMIS-CSKARUKUSA-N	400.026	3.004	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1	16348957	OLBSKNWGTVSSEM-LFVJCYFKSA-N	421.522	3.336	50	40	HGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)Nc3ccccc3)o2)cc1	217039293	HLYBLENWHUNEND-FYJGNVAPSA-N	412.471	3.222	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C	408708070	NURQUBHIILQIEC-UFFVCSGVSA-N	403.280	3.006	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1	408943585	UCBODGDFBNDCED-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)c1ccc(Br)cc1	938645	RRGHCXHNNYSIMQ-MDWZMJQESA-N	401.216	3.069	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C)C3)[C@@H]2C(=O)O	2785197	RGSUWFWNRXLWAW-FQJJVNDHSA-N	416.543	3.327	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2c(OC)cccc2OC)c(OC)c1	2888098	ZIFJMZPVFCNNDQ-FOWTUZBSSA-N	422.437	3.141	50	40	HGGB	
BrCCC[n+]1ccc(-c2cc[n+](CCCBr)cc2)cc1	5943717	ACJMYXOHOOAAJY-UHFFFAOYSA-N	400.158	3.499	50	40	HGGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	6454121	JDXFUYDVPRZKTR-INIZCTEOSA-N	413.524	3.390	50	40	HGGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1[N+](=O)[O-]	7778060	OORIDWDEEOMQSE-MDWZMJQESA-N	410.455	3.488	50	40	HGGB	
C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1	15133694	ZIBLJDKEPPZQPK-SRZZPIQSSA-N	408.683	3.373	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(C(=O)O)o1	33608572	XQUYDSMMAMAZRR-FSJBWODESA-N	424.409	3.338	50	40	HGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1OC	100523079	GKVPEUSLFJAXPS-ZVHZXABRSA-N	417.893	3.212	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)OC)c(OC)c2)cc1	408743926	IIDYUVIVPUTQKI-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	409321813	JTMVDAGYPTTXFS-GOSISDBHSA-N	423.494	3.414	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1	12275712	CUZYVXMUZUSRDG-AVRDEDQJSA-N	408.479	3.347	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1Cl	408641919	LJYVMLFNFFHMNS-LBPRGKRZSA-N	406.269	3.116	50	40	HGGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)c1ccc([N+](=O)[O-])cc1	409251096	OIBWYQFWRZWZJE-NTUHNPAUSA-N	402.204	3.286	50	40	HGGB	
CC/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)N(C2CCCCC2)C(=O)N=C1O	9320054	UFVWJAWTMVHJAG-NXVVXOECSA-N	418.881	3.490	50	40	HGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cccnc2)cc1)S(C)(=O)=O	409129090	IRCNVRHLEDMQHM-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc([N+](=O)[O-])cc1	32138938	MNEATSQZMRTTOY-SRZZPIQSSA-N	407.342	3.454	50	40	HGGB	
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)C2)c1	40142780	YQMVYUSKXNWMMK-KRWDZBQOSA-N	413.905	3.270	50	40	HGGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	15922193	GXHQWQQVBMVSSB-UHFFFAOYSA-N	416.821	3.188	50	40	HGGB	
CCCN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2C)c2cc(OC)ccc21	100870161	YKXQHBWVRKSJOR-HIXSDJFHSA-N	415.877	3.313	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1OC	14134795	YGYKVNQCTWEKIO-LZYBPNLTSA-N	416.240	3.134	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	20100833	PGMKKVWEZUOXBV-OEAKJJBVSA-N	408.410	3.427	50	40	HGGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	100431930	OSRUOXCWMIOCCO-NFFVHWSESA-N	411.465	3.423	50	40	HGGB	
NNC(=O)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	226317788	ANLDRHVISJOKTA-UHFFFAOYSA-N	413.602	3.356	50	40	HGGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCC(=O)O	408854564	IJXDJXVHWGVOBI-FMCGGJTJSA-N	408.410	3.397	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1	408960216	JSYSTPQIDFPBNT-FMCGGJTJSA-N	408.410	3.491	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3c(C)cc4cc(C)ccc4n23)cc1	877115	AELNVHJNSXUNQO-UHFFFAOYSA-N	419.510	3.361	50	40	HGGB	
CC(=O)N(NC(=S)CC(=S)NN(C(C)=O)c1ccccc1)c1ccccc1	3193846	CVJRPKCPKWWXPV-UHFFFAOYSA-N	400.529	3.147	50	40	HGGB	
CCCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	4408996	MQRQDEDHXWJVNA-HZHRSRAPSA-N	413.474	3.362	50	40	HGGB	
COc1ccc(C)cc1CC(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	7949100	PWLLFQZTWSWUKN-UHFFFAOYSA-N	413.474	3.199	50	40	HGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1	18191120	RTEPTECQBFHYQC-BSYVCWPDSA-N	400.394	3.276	50	40	HGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	58912430	FWJWBDCVBYUZBA-CIAFOILYSA-N	419.323	3.175	50	40	HGGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)c1ccc(OC)cc1	59490249	LCQPBNGBGHWCFL-HYARGMPZSA-N	417.531	3.125	50	40	HGGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(F)cc1	100537495	KNGOOYFGULOOHX-RHIYVLOFSA-N	417.072	3.108	50	40	HGGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)OCCO2	106824795	MQVQQEPTZZYEAI-ZVHZXABRSA-N	401.422	3.112	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br	408749953	VHVGXCZDNUNZKP-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)c1C	408926630	VFUDKIAJMKSEJY-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\C(Br)=C\c1ccccc1	4721341	JFWCXHUJXULPSR-ARKQSIRGSA-N	412.287	3.054	50	40	HGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OC	8410196	DYEVFEBEKNNZDV-KRWDZBQOSA-N	418.409	3.041	50	40	HGGB	
Cn1c(CC(=O)NNC(=O)c2cccc(Oc3ccccc3)c2)nc2ccccc21	12538863	POZVYXBQAUYWIZ-UHFFFAOYSA-N	400.438	3.369	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)cc1	14921014	YHVMWUFTQHNSAO-BUVRLJJBSA-N	419.462	3.398	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CSc2nc(C(C)C)nc3ccccc23)cc1	15935371	JOLWOBRENLKKFU-UHFFFAOYSA-N	410.499	3.315	50	40	HGGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1	20025871	BVGGCWKOKVIYCX-HXUWFJFHSA-N	422.510	3.395	50	40	HGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Br	35079361	QKQUWSJSBDIZIY-MTJSOVHGSA-N	417.259	3.242	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	48571837	UGAFMOJHCOQIHW-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)ccc1C	408707836	MCZLSVNYIXIEAW-UFFVCSGVSA-N	403.280	3.006	50	40	HGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1	408724911	CDBWHAQLSUCRTK-FYJGNVAPSA-N	400.460	3.327	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(N)=O	408735644	VOESUSLTWHEBOR-OVCLIPMQSA-N	413.861	3.457	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC#N	408797925	UHGAIYFMFXGVJJ-SFQUDFHCSA-N	405.410	3.320	50	40	HGGB	
Cc1c(-c2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-]	409170322	VGZMSCYZFOZHRE-BHGWPJFGSA-N	424.388	3.182	50	40	HGGB	
CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	7812965	LWFBREQKVMIVOR-SSDVNMTOSA-N	418.291	3.045	50	40	HGGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccco2)cc1OC	12275238	QHZCWAYVIVQJFM-SZNDQCEHSA-N	412.467	3.330	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2OC)ccc1O	1433705	NCOXVDILKXSYCI-KEBDBYFISA-N	423.263	3.091	50	40	HGGB	
N#CC1=C(S)NC(=O)[C@H]([n+]2ccc(-c3ccncc3)cc2)[C@H]1c1ccc(F)cc1	2350567	ULUULDJKEUDMOF-VQTJNVASSA-O	403.462	3.295	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408778942	NERPGOHZZCXBNM-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
CN(C)c1oc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br	408854781	BCVGADWOARFJLU-QGMBQPNBSA-N	400.660	3.291	50	40	HGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408789851	RZMBYISOQKFFPG-NTUHNPAUSA-N	415.789	3.346	50	40	HGGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1	33706039	ADPOIBFRNIQGTK-OMKGMAMGSA-N	417.918	3.467	50	40	HGGB	
O=C(CCCC[C@H]1CCSS1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	604404935	JTPHPIUYWFAEFC-KKUMJFAQSA-N	423.560	3.416	50	40	HGGB	biogenic
COc1ccc2nc3sc(C(=O)NNC(=O)Cc4ccccc4)c(N)c3cc2c1	917629	KMFHKWFPIQXNQO-UHFFFAOYSA-N	406.467	3.044	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1O	1063960	RQZKHHFELQBFCF-UFWORHAWSA-N	407.220	3.046	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(Br)cc1	2287200	QJWMNENYDNSXMT-LSHDLFTRSA-N	413.275	3.119	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1	5128112	VMGAIEKUMZQHMJ-AFUMVMLFSA-N	415.449	3.322	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccc(Cl)cc1	5791544	HYKUGYWWIZDNSY-MRXNPFEDSA-N	402.834	3.084	50	40	HGGB	
NNC(=O)COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1	9576740	MMWUBOYIXCBRLT-NRFANRHFSA-N	414.465	3.047	50	40	HGGB	
N#Cc1ccccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	12971858	DBSGAGGUHLRKEM-UHFFFAOYSA-N	422.268	3.250	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(OC)c1O	20100855	FPQATQGWCVEHNB-KEBDBYFISA-N	423.263	3.091	50	40	HGGB	
CCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Br)n1	28289352	SRZDHPBYDVHJRW-UHFFFAOYSA-N	415.700	3.079	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC	408727742	RSPZFGCMFKUUMG-KEBDBYFISA-N	419.459	3.004	50	40	HGGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)S(C)(=O)=O	408768634	IDNWOOAXNPXOTN-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)ccc1I	6194233	ZMFWRMLAEJAQLU-KEBDBYFISA-N	420.254	3.371	50	40	HGGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1	9849236	FJYBXCTWYANJJK-LJQANCHMSA-N	422.510	3.450	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1	22357289	MOMBKSTZPCSBQK-YAWVOZISSA-N	423.494	3.019	50	40	HGGB	
COC(=O)c1ccc(OC[C@H](O)Cn2cc(C=C(C#N)C#N)c3ccccc32)cc1	95117198	PYSYEKDWUCASAT-LJQANCHMSA-N	401.422	3.298	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1csc2c1CC[C@@H](C)C2	225588277	RGSUWFWNRXLWAW-BIWVZZHCSA-N	416.543	3.327	50	40	HGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408707654	LKHLFONXIIEBJX-UFFVCSGVSA-N	421.270	3.307	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC(=O)OCC	59334837	RKDBAFFPJPODGE-DHDCSXOGSA-N	421.291	3.115	50	40	HGGB	
COc1c(O)ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	3212167	SDFWCBMFDPSSLN-FBCYGCLPSA-N	414.201	3.145	50	40	HGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccc(C(C)(C)C)cc3)nc12	2367273	GDYKQEAVGKCBML-NTCAYCPXSA-N	402.454	3.485	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(Cl)cc1	2319901	BUJAADMBPQUBTA-KEBDBYFISA-N	401.879	3.084	50	40	HGGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C\c2ccc3c(c2)OCO3)c(Br)c1	32511874	QBHGDJPCDPPJGY-XGCXUPMPSA-N	405.248	3.404	50	40	HGGB	
COc1ccc(/C=N\NC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])cc1	33334748	MXVITEIGVPNTBI-FMCGGJTJSA-N	406.398	3.341	50	40	HGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1[C@H](C(=O)OC)CC2	942692	ORZRKPHIBQSETJ-JWAFFJSPSA-N	410.451	3.283	50	40	HGGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1O	20086261	UTOARAVOOAUKMP-MRXNPFEDSA-N	424.254	3.225	50	40	HGGB	
O=C(c1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1)N1CCOCC1	69348808	KCQKEVZTAYKAMH-UHFFFAOYSA-N	422.934	3.131	50	40	HGGB	
CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	96470231	GQZPPNANNPYCCJ-UYRXBGFRSA-N	417.465	3.376	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl	409221071	KMHMZANVFXXZJM-AFPJDJCSSA-N	413.232	3.377	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1C	6301229	VSQIPLONAGFWMN-DJKKODMXSA-N	406.236	3.373	50	40	HGGB	
CCCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	13844077	SISRRVYRBUFHCH-CAPFRKAQSA-N	402.248	3.045	50	40	HGGB	
CSc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2ccc(C)cc2)cc1	19956837	ADQYOWUTFMAXPT-UHFFFAOYSA-N	405.545	3.424	50	40	HGGB	
Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c1	408709326	ZPMZPCBXZPPBGW-SRZZPIQSSA-N	417.307	3.476	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408847007	LXGOFNYCMYKQSL-BHGWPJFGSA-N	423.400	3.394	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccccc1C(F)(F)F)N(c1ccccc1)S(C)(=O)=O	408915315	ZMKWLLUXMCRYRM-AEOXGOBCSA-N	413.421	3.010	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O[C@@H](C)C(=O)O	409235605	CLDTZXUIZLHZHE-KKBVUKDESA-N	421.247	3.074	50	40	HGGB	
CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Br	8581781	IYQSSWRKMCKAKO-UHFFFAOYSA-N	408.321	3.408	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1F	20211775	CVNVHDAKKHFSRG-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
C[C@@H](C(=O)N/N=C\c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O	31857540	UZIMVZPPCRAXGC-GMQKBEEJSA-N	412.449	3.480	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(C)cc1	408768026	SCWHZRPOORPYET-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1	408808787	GCKCWEIZJRGFTO-VCHYOVAHSA-N	424.453	3.063	50	40	HGGB	
N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NC(N)=O	409228142	UPBGEBGJJQDUOP-WJDWOHSUSA-N	416.393	3.429	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(OC)c(OC)c1	6545690	HCBTXWPMBYBYNG-HNNXBMFYSA-N	423.263	3.111	50	40	HGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1	100929956	MYNNFWHKYRROFN-WSDLNYQXSA-N	418.837	3.320	50	40	HGGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812364	PDLADBKHMLFPHO-LSHDLFTRSA-N	408.813	3.194	50	40	HGGB	
CCOC(=O)c1c(NC(=O)NN=Cc2ccc3c(c2)OCO3)sc(C(C)=O)c1C	12413665	QQAWHORPDHUEOR-UHFFFAOYSA-N	417.443	3.320	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408971536	HVXQXGFANNFAMF-VULFUBBASA-N	422.460	3.008	50	40	HGGB	
Cc1nc(Cc2ccccc2)[nH]c(=O)c1C[C@H](Br)CBr	6664033	AESGTDBJHREAMW-LBPRGKRZSA-N	400.114	3.370	50	40	HGGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc1	409040125	SNYIPJBKQDLIMF-CCEZHUSRSA-N	416.433	3.394	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc([N+](=O)[O-])c1	38823690	ABIRXNGRQMLSMU-GIDUJCDVSA-N	417.013	3.477	50	40	HGGB	
CCOC(=O)/C=C/O[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)(C)O[C@H]21	1565684696	BDHFWWVJQMCQPX-OJVXSOBZSA-N	402.560	3.347	50	40	HGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	5847721	AEWAFHLJRBHRRP-CAUNFOBBSA-N	417.531	3.123	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	100143726	DGIJRUBUKCMFBX-OTWHNJEPSA-N	405.479	3.086	50	40	HGGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1cncc(Br)c1	1435339	JNIKJCZPNWTQHN-ZVBGSRNCSA-N	414.215	3.420	50	40	HGGB	
CCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	6323066	UHQLEHYFOKLEJV-ZDUSSCGKSA-N	407.923	3.337	50	40	HGGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	7928239	IDKRJYUEJWVWBB-MRXNPFEDSA-N	413.905	3.279	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)cc1	12275392	CBQSXFFFWWPPQJ-VGOFRKELSA-N	408.479	3.347	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1	27402774	HJFFOMJJAOOCOA-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)cc1	36144998	VDXIHHZNEJOEFY-JJFYIABZSA-N	404.850	3.200	50	40	HGGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(O)cc2)[C@H]3CCC1	61992925	SHQCJTGCYLLFFF-PWYGXMRTSA-N	402.498	3.499	50	40	HGGB	biogenic
COc1ccc(OCC(=O)N/N=C(\C)c2cccc(I)c2)cc1	408780377	XXKGOJFTKOCTLQ-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408845439	MXSAHFRWRZKBKG-FSJBWODESA-N	405.410	3.254	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1Br	409142995	YKJUVUXZSPQGGS-CIAFOILYSA-N	406.255	3.189	50	40	HGGB	
N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCCCc1ccccc1	409234520	LJNLKBSOOYHNSC-HKWRFOASSA-N	420.469	3.087	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2Br)ccc1O	1434998	VNUUXOOUMFXAJJ-KEBDBYFISA-N	423.263	3.091	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)cc1	4899411	WSXPDKMEOBSGBN-PXLXIMEGSA-N	407.430	3.311	50	40	HGGB	
Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c1	6969470	LQIYAFFUNRWBHN-FOKLQQMPSA-N	408.531	3.447	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1C	13001861	COPJBZPWYCKKQT-UHFFFAOYSA-N	419.503	3.118	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1	26625072	GAODHHCJNXVAQS-LBPRGKRZSA-N	406.269	3.116	50	40	HGGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C\c2ccc3c(c2)OCO3)c(Br)c1	32511875	QBHGDJPCDPPJGY-CATAHAEOSA-N	405.248	3.404	50	40	HGGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O	408535356	SKPGWTJTIWAXCP-MHWRWJLKSA-N	422.466	3.464	50	40	HGGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O	408865461	CLNBTRJNRJCEMH-OQKWZONESA-N	401.532	3.313	50	40	HGGB	
C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118912396	YZPBDMRZRBJWSE-ZOMDUIRWSA-N	406.611	3.383	50	40	HGGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OCC	409007052	MNSOPEMAKMGZPL-GDNBJRDFSA-N	423.307	3.402	50	40	HGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	20086135	JDXCEEBVSXCKRT-ZUOKHONESA-N	415.449	3.316	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccc1OCc1cscn1	32779815	MPHSAZSLMIUDIP-UHFFFAOYSA-N	417.874	3.459	50	40	HGGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc(OC)c1OC	4997809	FFKGOIOMAKHLQV-KRWDZBQOSA-N	404.426	3.321	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Cl)c(C)c1	6456187	YMCGFDMJGOVJSD-SRZZPIQSSA-N	407.923	3.036	50	40	HGGB	
CCn1c(NNC(=O)CSc2nc3ccccc3s2)nc2ccccc2c1=O	32904540	RKEDWWYGTADZLB-UHFFFAOYSA-N	411.512	3.262	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1	13523517	QYDOQCFZUUGXGF-XQNSMLJCSA-N	423.494	3.284	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(Cl)cc1	5640943	NLDFESYIBDRCJI-SSDVNMTOSA-N	412.833	3.363	50	40	HGGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)NCCCc1ccccc1	409239869	REXQUTONMXTYIA-HMMYKYKNSA-N	420.469	3.087	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)cc1C	20208802	RWCFWGVKJXGRBG-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(OC)c1OC	8565975	LVXCISVMRDLRFF-HNNXBMFYSA-N	410.455	3.382	50	40	HGGB	
COC(=O)[C@H](Br)[C@H](Br)c1cc(OC)c(OC)c(OC)c1	1704043	JLZNLULNALKSKA-GHMZBOCLSA-N	412.074	3.085	50	40	HGGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)Cc3c[nH]c4ccccc34)cc2)cc1	9790955	OPJCWKJVBWGPDL-UHFFFAOYSA-N	424.460	3.475	50	40	HGGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(SC(F)F)cc1	14244909	QFNGOVGJJQKMSD-UHFFFAOYSA-N	408.455	3.484	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)CSc2nncn2-c2ccc(C)cc2)cc1C	25601645	YZFJTHINLVTEEC-UHFFFAOYSA-N	415.544	3.061	50	40	HGGB	
O=C(Cc1csc(N2CCNC2=O)n1)NNc1c(Cl)cc(Cl)cc1Cl	40140156	HESJWSMEEKOFKB-UHFFFAOYSA-N	420.709	3.319	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1	40142921	KTYSXPLVFCKKLW-IBGZPJMESA-N	423.513	3.016	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1cccs1	169293730	WZTPXPWEUVKTTF-NHTMILBNSA-N	423.501	3.208	50	40	HGGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OC2CSC2)cc1	408728126	VXJFUCKAGOBLKT-AWQFTUOYSA-N	417.512	3.473	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1	408768392	WWYOJDSANZDJCL-ZVHZXABRSA-N	403.438	3.482	50	40	HGGB	
Cc1noc(-c2ccc(C(=O)NNC(=O)CSc3cccc4cccnc34)cc2)n1	12735403	JNDIHCGOWUIFBT-UHFFFAOYSA-N	419.466	3.147	50	40	HGGB	
O=C(CSCc1ccccc1Br)N/N=C1\C(=O)Nc2ccccc21	16450113	IFPYKPIBCBZKCL-UHFFFAOYSA-N	404.289	3.155	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(I)cc2)cc1	59720872	DUYLNWDBIBAFTC-UDWIEESQSA-N	423.254	3.252	50	40	HGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1	408726409	MDIXUMHUCGKODX-FYJGNVAPSA-N	400.460	3.327	50	40	HGGB	
CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Br	2272834	UEGIQMKLDSWLHQ-CHWSQXEVSA-N	413.312	3.373	50	40	HGGB	
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)c1O	2319772	SUDWGICXGBJYJE-LPYMAVHISA-N	407.499	3.159	50	40	HGGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)n1	4457540	GSYRPWZYXMUKNX-QGZVFWFLSA-N	415.482	3.199	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccccc1C#N	5006510	DYBNZMFJNDCHRE-UDWIEESQSA-N	405.454	3.206	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1	6845350	QXAZVKPNPDQSMN-MBDNFAEBSA-N	409.445	3.014	50	40	HGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	8220275	WBGVONKQFXRJJZ-WYMPLXKRSA-N	411.845	3.279	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Br)cc1	12428920	UIINPEXPMDUSAD-LCYFTJDESA-N	401.216	3.458	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	16188653	HHROLXQNDSNUIL-XQNSMLJCSA-N	423.494	3.284	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1	18191703	XEHUSLRIPXJLEY-HZHRSRAPSA-N	411.458	3.415	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC	59516256	FGIFFMULAAUXAU-WSDLNYQXSA-N	417.849	3.011	50	40	HGGB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(Br)cc1	4247176	WTNMSGJVONIXTK-FOKLQQMPSA-N	418.335	3.232	50	40	HGGB	
CCOc1ccc(CCNC(=S)NNC(=O)c2ccccc2Cl)cc1OCC	5274154	LMDQJAQSHIYHMP-UHFFFAOYSA-N	421.950	3.489	50	40	HGGB	
CCCCCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O	8941230	WTJIOWPZBIUJTM-UHFFFAOYSA-N	412.877	3.315	50	40	HGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccn1	9311164	LDQZISIHMOQDEC-CIAFOILYSA-N	407.342	3.454	50	40	HGGB	
CN1CCN(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1	26967631	CDVFOUOMQVGUEN-XDJHFCHBSA-N	415.472	3.359	50	40	HGGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)c1	28215662	WDMCYJVNQZCERC-BUVRLJJBSA-N	409.486	3.287	50	40	HGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1C	36079818	OREZBMYAGWLZEB-CIAFOILYSA-N	401.419	3.099	50	40	HGGB	
COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCc1ccc(C(C)(C)C)cc1	62715809	RSTZQZFOQPAWBQ-XYOKQWHBSA-N	413.543	3.449	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1	58915199	YWEMLALHTYUXKQ-HZHRSRAPSA-N	424.526	3.010	50	40	HGGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21	408540580	ADSIBQFPCWZTMN-YBEGLDIGSA-N	417.421	3.448	50	40	HGGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1	9481970	VLPYRKLZWZCIKC-OAQYLSRUSA-N	413.437	3.317	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Cl)cc1OC	408592547	ZCOUYPVFXKJEPM-ZVBGSRNCSA-N	411.241	3.318	50	40	HGGB	
C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)cc3Cl)cc2C1	40058101	JZEPWPXSDOSTKD-VIFPVBQESA-N	402.900	3.289	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1O	1434929	SKSAQXNMKFJOCW-BUVRLJJBSA-N	413.437	3.412	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2O)c(Br)c1	1444603	DIMHOIYRXIMHRE-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	7402930	AUYPMNOODWJFAR-ZDUSSCGKSA-N	411.549	3.127	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])cc1OC	9948922	NWIWAKWVFFOSML-FBCYGCLPSA-N	414.201	3.388	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)S(C)(=O)=O	408730688	TZBXVVGKRGCQJV-ZVHZXABRSA-N	421.522	3.163	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	408795069	KWZZGHFOTYWNPR-QGOAFFKASA-N	422.437	3.351	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1cccs1	408868923	OGQTWTIZVAFSKE-LTGZKZEYSA-N	413.524	3.484	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	409224014	HBMGXABHTCOHBX-ZMOGYAJESA-N	407.392	3.315	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1OC)C(C#N)=C(N)O2	2245824	WXKHEWIVPXORLZ-OAQYLSRUSA-N	422.529	3.115	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	6044330	DMMROKZHIATBGQ-NSHDSACASA-N	410.352	3.184	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)n1	12740140	CEOGMUWOGWVQAE-UHFFFAOYSA-N	407.499	3.164	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1	21869387	VVCJYWMBLGKEAM-UHFFFAOYSA-N	401.875	3.476	50	40	HGGB	
CCN(CC)Cc1ccccc1CNC(=O)NNC(=O)c1cn(C)c2ccccc12	32795556	PMHCXUWJEIEGSI-UHFFFAOYSA-N	407.518	3.164	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CC[C@@H](Br)C(=O)Cc3ccccc32)cc1	228980496	JFMUHWQPIHYFKS-MRXNPFEDSA-N	408.317	3.469	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]	409360830	FYMNJRKVWQYPEW-FYJGNVAPSA-N	401.419	3.094	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1I	1435093	INPYYPSTXDCLHX-VXLYETTFSA-N	424.238	3.137	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1	3025538	BJXVUQTUSHUDMV-ARKUFVOESA-N	401.422	3.473	50	40	HGGB	
Cc1ccccc1NCC(=O)N/N=C/c1c(C)c(Br)c(O)c(C)c1O	3101166	RALNYAKTIALVCT-ODCIPOBUSA-N	406.280	3.348	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)cc1OC	5323917	UQRRUBYEGONRGM-INIZCTEOSA-N	416.455	3.087	50	40	HGGB	
C[C@@H](Cl)C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	39742982	GFTNMEQUHDCLPF-SNVBAGLBSA-N	415.793	3.463	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c2ccccc21	408768792	JLHXSWXDRIHZEC-RLVPRWFHSA-N	424.464	3.022	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1OCC	4402104	OJWUHMLYFTZOEB-HZHRSRAPSA-N	413.474	3.362	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	4501973	YEELUFNWBWADGJ-CIAFOILYSA-N	409.354	3.180	50	40	HGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCCC(C)C)c3ccccc32)cc1	5268674	RMNKHIAZMATMMP-MRCUWXFGSA-N	416.481	3.282	50	40	HGGB	
CCCOC[C@@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	5585108	HPPXOFJGKHBUTD-ICSRJNTNSA-N	415.559	3.041	50	40	HGGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21	20760311	XJUDQUONMXLISW-SSDVNMTOSA-N	413.275	3.043	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1	39706839	TWQHOZRAPORQEF-LFIBNONCSA-N	410.426	3.191	50	40	HGGB	
N#C/C(=C/c1cc(I)c(O)cc1O)C(=O)Nc1ccccc1F	408843758	SFCLABIMVSLTBW-YHYXMXQVSA-N	424.169	3.387	50	40	HGGB	
C[C@H](NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	4700387	OLKIEJYQETVXPW-ZDUSSCGKSA-N	407.392	3.124	50	40	HGGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914841	NVZLWUWNBMKOSY-SSDVNMTOSA-N	412.273	3.246	50	40	HGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)NC1CCCCC1	408852230	DYZNLEGGMIRELL-RAXLEYEMSA-N	408.296	3.235	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c(OC)c1	656870	LOODAJAUOKWHRX-AWQFTUOYSA-N	417.263	3.186	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1O	1089212	VDYNOQPNGKAZBH-YDZHTSKRSA-N	401.894	3.417	50	40	HGGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCOCC4)cc3)[nH]c2c1	4312722	UPNNSJWDGPEALY-QGOAFFKASA-N	402.454	3.173	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	33959899	WQNRWZSPYKESMJ-SSDVNMTOSA-N	409.317	3.183	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	96662763	BRBSMCLBPXIUSY-YBEGLDIGSA-N	411.410	3.402	50	40	HGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C	408945617	WVXILUKEFGOBHM-YDZHTSKRSA-N	419.441	3.400	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1cccc(Cl)c1	5791492	AAHQBRUXJUPNNA-INIZCTEOSA-N	402.834	3.084	50	40	HGGB	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C	6625945	KVPSSDOTPMSYCQ-UHFFFAOYSA-N	401.507	3.176	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-]	10118449	DBSUJIRJBSXROW-RQZCQDPDSA-N	409.183	3.272	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)COc2cccc(C)c2)ccc1OCC(C)C	24582306	BROLSUKDXJEVTG-UHFFFAOYSA-N	400.475	3.269	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2ccc(C)cn12	59444053	DGHPZQQXCMIQMK-AWQFTUOYSA-N	401.264	3.486	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1	102258211	PTWCJPFXFLLWTL-AFSSITGASA-N	416.543	3.183	50	40	HGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccco2)cc1)S(C)(=O)=O	409131909	POSGBZAUEQXCTA-HYARGMPZSA-N	411.483	3.318	50	40	HGGB	
COc1cc(C(=O)NNc2nc(-c3cccc(O)c3)cs2)cc(OC)c1OC	1415088	BFTPHKNATGXKKZ-UHFFFAOYSA-N	401.444	3.298	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cccc(C)c2)c(OC)c1	1917738	IAZCRAQKXIWZGO-LDADJPATSA-N	406.438	3.197	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1	2272145	FWYSVQFFLFDADX-QGZVFWFLSA-N	402.834	3.084	50	40	HGGB	
CCCCNC(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12	2764175	RSTAPYUDGUFOAR-UHFFFAOYSA-N	406.442	3.375	50	40	HGGB	
N#Cc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3381534	GLZJNDUGPJYKCC-UHFFFAOYSA-N	407.433	3.486	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)COc1ccc(C#N)cc1	6684938	FPFIKMNXGTYLFJ-BHGWPJFGSA-N	411.824	3.374	50	40	HGGB	
COc1c(/C=N/NC(=O)c2ccccc2)c(C[C@H](C)Cl)c(OC)c2c1OCO2	15086105	XDSGLRDFGAAGTO-PGCIDKTFSA-N	404.850	3.366	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1ccc2ccccc2n1	40142825	SBPLDUAFVZDHRV-UHFFFAOYSA-N	417.444	3.180	50	40	HGGB	
CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)OC(=O)N1C(=O)OCc1ccccc1	100045971	ZBDCRADWXYVYSM-HNNXBMFYSA-N	406.435	3.366	50	40	HGGB	
CCCc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	6265452	KULPLGNGSGGSNB-DEOSSOPVSA-N	411.465	3.281	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)cn1	12362734	VRYSJXZGMCYQIS-WSVATBPTSA-N	413.069	3.385	50	40	HGGB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1	96504696	ITMISWFOAMINQG-LUJRCDHRSA-N	420.469	3.188	50	40	HGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408907635	OGRMEHDDPBEIHB-SVZNOHIVSA-N	418.837	3.056	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1	408615283	OIVLDMREIFCLAN-CYBMUJFWSA-N	406.269	3.116	50	40	HGGB	
CN(C)C[C@@H](/C(Cc1ccccc1)=N/NC(=O)C[n+]1ccccc1)c1ccccc1	17211462	KIGODNSVDXNWDX-LIZHXUNESA-O	401.534	3.034	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2ccccc2C)cc1	20059074	ASAFXVZVLRZRRA-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	20213664	YLNXOAHGAYXGQF-UHFFFAOYSA-N	414.531	3.493	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1	408612700	XCIWVMUHFDLMQS-CHOFVFFHSA-N	417.893	3.292	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C)cc2)c(OC)c1	1810806	ZLRYILMYCIKTKJ-NNTMEHSWSA-N	420.465	3.292	50	40	HGGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	4168951	KMGHBOMOPNNQRI-JOCHJYFZSA-N	417.856	3.291	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1	104645403	WPVSBSTXDHAZQN-PTNGSMBKSA-N	404.348	3.326	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl	408613476	ZVDKGVHGRAFDRP-CHOFVFFHSA-N	417.893	3.292	50	40	HGGB	
O=C(O)COc1c(Cl)cc(/C=N/NC(=O)c2cccs2)cc1Br	2782983	ZKCXTLXXELLTCT-UBKPWBPPSA-N	417.668	3.391	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl	4131166	LFDXQWHZUBHXSN-UHFFFAOYSA-N	423.610	3.097	50	40	HGGB	
C[C@H](CC(=O)NNC(=O)CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1	4681964	MHBPSIGQWGZGNH-HNNXBMFYSA-N	401.894	3.475	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1	6602057	XJUSCKAUHYOMFI-UHFFFAOYSA-N	403.866	3.227	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(OC(C)C)c(OC)c3)ccc21	12544131	FQAUUAXRCZWOCB-UHFFFAOYSA-N	410.474	3.235	50	40	HGGB	
CC1=NN(c2ccccc2C)C(=O)/C1=C/NNC(=O)c1cccc(Br)c1	15133472	MDURZJGDZLAPJZ-LFIBNONCSA-N	413.275	3.299	50	40	HGGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](Br)CC)cc1	15423094	DMSQWDNTCCFLOA-HNNXBMFYSA-N	413.312	3.262	50	40	HGGB	
C[C@]12C[C@@H](Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	25548025	CZJXBZPJABCCRQ-YNZBODFESA-N	413.341	3.166	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2c(=O)n1Cc1ccccc1	28218186	QTAYCHSJJQBYJA-AFUMVMLFSA-N	400.413	3.348	50	40	HGGB	
CCn1c(SCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C)cc1	30742743	MHNUXAHKYGFCOQ-MTJSOVHGSA-N	424.486	3.424	50	40	HGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1cccn1-c1ccc(O)cc1	409023625	JHQFVYIPZISHGY-CIAFOILYSA-N	414.259	3.475	50	40	HGGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cccn1-c1cccc(C(=O)O)c1	409097396	IHLYOQKVMDXGFN-AFUMVMLFSA-N	414.421	3.253	50	40	HGGB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(=O)NC1=S	6418824	YTRFUPJVVWKJTJ-OPCAMPFDSA-N	405.951	3.103	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	12276329	UUXSNTLUKYRRJX-RBUKOAKNSA-N	408.479	3.366	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc([N+](=O)[O-])c1O	36236338	ISBANWZCGSJPQB-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
CC(C)(C)OC(=O)NNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O	72296372	AUEHNCFUJIOGHL-LLVKDONJSA-N	405.398	3.064	50	40	HGGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(C)c3)c2)cc1	409220299	WKGSHYSQRCCUTO-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	1421647	QYSNILLGDCMJIG-FOKLQQMPSA-N	409.364	3.202	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	2255428	IAGWGMAWTGACMO-KRWDZBQOSA-N	419.312	3.243	50	40	HGGB	
CC1=C(C(N)=O)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1	4730646	IECDEKWGGNYQTD-GOSISDBHSA-N	410.524	3.301	50	40	HGGB	
CCOCCN1C(=O)/C(=N\NC(=O)Cc2cccc3ccccc23)c2ccccc21	13590230	VIKNUSHHGHMDNU-RWEWTDSWSA-N	401.466	3.286	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1Br	408809742	IOUNBSDOUSUMSK-ACLQVGRQSA-N	409.280	3.213	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O	949508	UZIMVZPPCRAXGC-FYHAJLKWSA-N	412.449	3.480	50	40	HGGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2C(=O)O)nnc1-c1ccc(C)cc1	9763223	WEACKOHHPGHEDA-UUYOSTAYSA-N	423.498	3.214	50	40	HGGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	12755243	NVDVATYIQKJCHJ-LBPRGKRZSA-N	417.437	3.246	50	40	HGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	28215532	INEZQULQEYYANU-SRZZPIQSSA-N	418.291	3.116	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OC	28218059	MQHZWRLZSZHMIJ-DJKKODMXSA-N	422.235	3.447	50	40	HGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cc([N+](=O)[O-])ccc1O	409042738	ONHFUJZIYLDXJZ-AWQFTUOYSA-N	414.305	3.372	50	40	HGGB	
CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc21	409391441	YXIRMLHQXPFRBV-HEHNFIMWSA-N	403.438	3.129	50	40	HGGB	
CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccccc1F	2660999	HJQWDRKTGZDDCL-IBGZPJMESA-N	413.493	3.339	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1F	12811445	DDOCOQWRHIPUGN-JTQLQIEISA-N	401.221	3.126	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccco3)c2C)cc1Cl	408970213	CQODDKKJLAXJCC-BHGWPJFGSA-N	412.877	3.415	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408609496	JYWXNABAEFCHLB-GZIVZEMBSA-N	414.676	3.422	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1	409025268	OWGUITUNRIGBCV-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
O=C(NNC(=O)c1cc(I)ccc1Cl)c1cccs1	32119163	VGCJVVOZBBRVPH-UHFFFAOYSA-N	406.632	3.081	50	40	HGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	30820845	YKJLQHUHYDEMCY-PJICWNCHSA-N	401.419	3.352	50	40	HGGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	19926349	KFRCEJOVFGGGFA-UHFFFAOYSA-N	415.515	3.245	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1cn(CCC(=O)O)nc1-c1ccc(Br)cc1	6179669	ASBINWUNEWLUGD-LCYFTJDESA-N	418.247	3.257	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1	409019736	KINVQFHCNHWAKJ-ZHZULCJRSA-N	419.481	3.087	50	40	HGGB	
O=C(COC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	60572302	XUHBBBVDYPVTNB-UHFFFAOYSA-N	422.868	3.476	50	40	HGGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	2439169	QUGRSTPGAFPXDS-KRTXAFLBSA-N	410.282	3.133	50	40	HGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	14166295	ZTGLWQTXSKRXNB-YXUUZYBBSA-N	413.543	3.362	50	40	HGGB	
C[C@@H](C(=O)NN=C1C2CC3CC(C2)CC1C3)n1cnc2sc3c(c2c1=O)CCC3	6850525	ZUAFKYAGVOTAII-DYQPHDICSA-N	410.543	3.436	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(I)c1OC	409226096	SBVDJBYQTOCOBE-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)ccc12	5578981	HQQLTILCKMIMNU-UHFFFAOYSA-N	424.497	3.234	50	40	HGGB	
NNC(=O)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	226340469	YUUNDGVHBRXKBE-UHFFFAOYSA-N	400.616	3.193	50	40	HGGB	
CCOc1cc(OCC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Br	6195730	BXFNYNOGAHEDCJ-MRXNPFEDSA-N	419.279	3.496	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OC(C)=O	4735315	NATJAQLKUVAQEB-RGVLZGJSSA-N	405.248	3.076	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc2ccccc12	408591859	VRRRVJBPYFMQGS-HZHRSRAPSA-N	404.426	3.349	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccc(O)cc1	8721947	LAHRYMKCKZRLNZ-KPKJPENVSA-N	417.215	3.164	50	40	HGGB	
O=C(/C=C/c1ccco1)Oc1cccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1	32109681	KNJDJWKHOJBXPC-ZHBGJKQSSA-N	404.378	3.391	50	40	HGGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21	20324574	GPOCCGFDTCJGIY-DAFNUICNSA-N	407.518	3.422	50	40	HGGB	
O=C(CSCc1ccc(Br)cc1)N/N=C1\C(=O)Nc2ccccc21	100900245	QCXQPZTZMMJAOC-UHFFFAOYSA-N	404.289	3.155	50	40	HGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1\CCSc2ccc(F)cc21	6369113	CAIUIISEROJNCG-HIXSDJFHSA-N	412.534	3.354	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21	6418289	KIQALQPQRKIGIY-ZMOGYAJESA-N	423.469	3.294	50	40	HGGB	
CC(C)C[C@@H]1C[C@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC(=O)N1	95468784	OYLHNCPAQNQSPP-JKSUJKDBSA-N	405.564	3.109	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CC1	408607819	FAACEAHQOMSKAM-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc1OC	409359250	ASEKCVKLLATCJG-KSEXSDGBSA-N	418.877	3.210	50	40	HGGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)cc1	40137525	QANHHAMYUBCBLS-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cn1	30803037	HUEIKRKXZOVNDM-FMCGGJTJSA-N	404.382	3.281	50	40	HGGB	
C[C@@]1(CI)[C@H]2CC[C@]1(CI)C(=O)C2	4228141	CYRISYJUPUQPCV-SFGNSQDASA-N	404.029	3.232	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1cccs1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	4367745	QHQOATNTQRQBDW-YDFFOUQZSA-N	400.529	3.356	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc([N+](=O)[O-])cc1	13601577	ZSGJVBWQSDOSAZ-GIDUJCDVSA-N	417.013	3.477	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c1C	13945593	WYHNYEVYIAAOOZ-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
O=C(Oc1cccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1)c1cccc(F)c1	33622615	VOAQICJNQNLDFB-CWOJIVPFSA-N	420.396	3.335	50	40	HGGB	
Cc1occc1C(=O)NNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	40128912	PVDHHQQAAYIEHG-UHFFFAOYSA-N	412.829	3.312	50	40	HGGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1Cl	40154880	UNPLORPWJHPIKT-IBGZPJMESA-N	417.893	3.156	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1	105829516	FBRQKDFPXAOISB-PTNGSMBKSA-N	411.418	3.490	50	40	HGGB	
C[C@@]12[C@@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42	169559534	YYOJUCRKMCIPST-PGMBDGPLSA-N	412.052	3.371	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1cccs1	408905856	AEHSPDDXUNUUKE-VCHYOVAHSA-N	420.343	3.361	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	1437769	IGFJKDBKBRQLCQ-UFFVCSGVSA-N	410.257	3.490	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1Br	408972876	HDOCANAFLVWKGS-AERZKKPOSA-N	420.292	3.117	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	408985554	MXCRDADBUOYGGJ-CVKSISIWSA-N	418.497	3.178	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	245377498	LPWHFFOAXYBDJY-TVQXOTEMSA-N	413.109	3.277	50	40	HGGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@@H]1c1cccc(Br)c1	4289060	VWMLJOOPCLMVOD-GFCCVEGCSA-N	418.085	3.015	50	40	HGGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1nn(CCO)c(N)c1C#N	4455862	FUSQBGDYVBWCJN-LDADJPATSA-N	408.465	3.396	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	636762	LAJUEUXNAAXJJR-ZVBGSRNCSA-N	411.241	3.074	50	40	HGGB	
CCCCC(=O)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	9871532	JAUVNBDIJAKQJZ-UHFFFAOYSA-N	403.074	3.174	50	40	HGGB	
CCc1ccccc1N1C(=O)[C@H](Cc2ccc(OC)cc2)S/C1=C(\C#N)C(=O)NC	11690287	WQVYOGXQUGAMIF-KNOQIOAQSA-N	421.522	3.430	50	40	HGGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2nccnc12	15987052	BVMJEAYIVMIDOW-UAHQCSBISA-N	419.485	3.216	50	40	HGGB	
CCOc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	20000227	AIZDIQKRZWHYTD-UGKGYDQZSA-N	417.513	3.228	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1	225591791	PTWCJPFXFLLWTL-YXCOWNBQSA-N	416.543	3.183	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1Cl	408776830	ZSTCYXLIRQNRAX-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(=O)N(CC)CC	409196538	VWBIFPIMOXAYGO-HYARGMPZSA-N	417.531	3.087	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)O)cc1OCC	409316743	MDTYPNHOXUNBTH-JJFYIABZSA-N	420.849	3.365	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1O	1433533	HPAXOEKIXINAKK-UFFVCSGVSA-N	406.280	3.424	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc1	5408566	ZEJPQRGWOSXZIJ-GOSISDBHSA-N	404.474	3.144	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)OCn2nnc3ccccc3c2=O)c(C)n1CCC(C)C	8939642	NPYTVNONFJPLQE-XDHOZWIPSA-N	419.485	3.364	50	40	HGGB	
COc1ccc(/C(C)=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	15930446	XQPXPGBQDBIADP-MYKKPKGFSA-N	409.364	3.202	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc(OC)c1OC	58980145	UTRBSGXUBNVDJY-YDZHTSKRSA-N	423.425	3.322	50	40	HGGB	
COC(=O)c1ccc(OC[C@@H](O)Cn2cc(C=C(C#N)C#N)c3ccccc32)cc1	95117199	PYSYEKDWUCASAT-IBGZPJMESA-N	401.422	3.298	50	40	HGGB	
Cc1c(-c2ccc(C(=O)n3cc(C(=O)NN)c4ccccc43)o2)cccc1[N+](=O)[O-]	226768343	ARLYTJWVBSSUHU-UHFFFAOYSA-N	404.382	3.410	50	40	HGGB	
O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	250839571	DQQARWQWHGCCLZ-ORIIPUBOSA-N	419.300	3.320	50	40	HGGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1	409022387	MPXRFSMABVELJW-QFEZKATASA-N	414.421	3.253	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2OC)c1	1424122	UYXZRIXZMHLTII-ZVHZXABRSA-N	405.410	3.082	50	40	HGGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O	12276131	IWICKLBRYYZFFV-BTYIYWSLSA-N	412.442	3.183	50	40	HGGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)C[C@@H]1Sc2ccccc2NC1=O	14251706	OCTUPCOSFUXZJK-HNNXBMFYSA-N	421.931	3.083	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1cccc(C)c1	32109569	UCPPDRBIBYMBRU-MXAYSNPKSA-N	418.453	3.180	50	40	HGGB	
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NN(c2ccccc2)c2ccccc2)C1=O	40159309	ZWVIDFMZPHVYIG-DEOSSOPVSA-N	414.465	3.323	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)NC1CC1	408608372	HGXNOVPNEZQWJQ-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1	408610244	MYFKZBTYPHKTGW-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1O	408755596	VYKNDEHXGCQPDD-ZMOGYAJESA-N	401.422	3.019	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2F)ccc1OCc1c(C)noc1C	2627700	CLCYSNSAGKVGEM-UHFFFAOYSA-N	413.405	3.093	50	40	HGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1	6534400	CIHCDOZCBQIVBC-RVDMUPIBSA-N	415.396	3.443	50	40	HGGB	
C=C(C)COc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20029228	OATVYIUNYKICEM-SIKLNZKXSA-N	415.497	3.005	50	40	HGGB	
CCCOc1c(I)cc(/C=C(/C#N)C(=O)NC)cc1OCC	409067775	ZKNGFDOOQGZKQV-GHXNOFRVSA-N	414.243	3.132	50	40	HGGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)c1	408997511	GWIWAPFOACGKPA-GXDHUFHOSA-N	400.818	3.152	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	33293703	CSPROJQNXWQHLB-FMCGGJTJSA-N	422.312	3.355	50	40	HGGB	
CC(C)(CC(=O)NNC(=O)Cc1ccccc1)CC(=O)Nc1ccc(Cl)cc1	199421966	IAGIEWVBPFOTQO-UHFFFAOYSA-N	401.894	3.475	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2cccnc12	993671	NODMZGQZWBEREY-FIKYGGOLSA-N	409.442	3.178	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	673441	JUXORCFWHPYMDE-VJDDMAKUSA-N	419.441	3.102	50	40	HGGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc3ccccc23)cc1OC	59516075	AGSPRYGEGUISFD-WGOQTCKBSA-N	419.481	3.056	50	40	HGGB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2[nH]1	7503268	MWWRNPUOCMAKOC-YQCJOKCJSA-N	401.879	3.145	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1F	408969463	NVFHVZWLXSQUDE-CVKSISIWSA-N	406.461	3.042	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)[C@H](NC(=O)c2ccco2)c2ccccc2)cc1C	32909643	MUFSXZREFLIPPK-GOSISDBHSA-N	411.483	3.144	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)c(OC)c1	6170222	NUTWYRNDQFTYLW-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cc1	50124347	JUAFEQGHACJYON-CQSZACIVSA-N	411.483	3.195	50	40	HGGB	
COc1ccc(OC)c(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1	5525392	LRWODZAMUNGERI-NBVRZTHBSA-N	417.469	3.185	50	40	HGGB	
COc1ccccc1N1CCN(C(=O)C(=O)NN=C2CCC(C(C)(C)C)CC2)CC1	5632366	KYVRTTNESKFDML-UHFFFAOYSA-N	414.550	3.052	50	40	HGGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	12735868	BKBXEKGIYQRXRG-LBPRGKRZSA-N	417.437	3.246	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	16755407	CBCSIWKCDIACTJ-URTGMZOISA-N	401.850	3.391	50	40	HGGB	
CCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	24755796	NVMSVEJLXFPCCD-UHFFFAOYSA-N	423.922	3.482	50	40	HGGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C(Br)=C\c1ccccc1	30791468	JFWCXHUJXULPSR-SDEWUBMYSA-N	412.287	3.054	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408707313	JBKAVRBCCBHKMA-WSDLNYQXSA-N	417.307	3.477	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1	408718239	DOIYAVZSCKFVLD-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1I	408904304	HRJXAHZCQMKPQQ-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
COc1ccccc1NC(=O)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O	409103952	ZXCGDTKOTXGATA-IUXPMGMMSA-N	409.196	3.227	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccccc3O)cc2)cc1	409117639	OJJNABAFQJXASL-HZHRSRAPSA-N	423.494	3.290	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409263473	LEIOKBJXVXYYDJ-SRZZPIQSSA-N	409.354	3.326	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2)[C@@H]([n+]2ccccc2)[C@@](O)(c2ccccc2)N1	409415751	IYAXXDXWSQKODI-DMDYGQEQSA-N	418.480	3.224	50	40	HGGB	
Cc1ccc2cc(C)c(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	1221552	YAAFBMBZTMKUOI-UHFFFAOYSA-N	410.455	3.313	50	40	HGGB	
Cn1c2ccccc2c2cc(C(=O)NNS(=O)(=O)c3ccc(F)cc3)sc21	1405556	BTJSDALZDZBBJN-UHFFFAOYSA-N	403.460	3.155	50	40	HGGB	aggregator
O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccccc1F	6605128	VXYINENKNZSLNW-UHFFFAOYSA-N	406.413	3.040	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1OC	9370333	FSKQCFXORODSKB-AWQFTUOYSA-N	417.263	3.186	50	40	HGGB	
O=C(N/N=C1/CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1	33604514	HHHNGOBCOWFSAQ-LNVKXUELSA-N	411.527	3.332	50	40	HGGB	
Cc1ccccc1SCC(=O)NNC(=O)[C@@H](C)Nc1nc2ccccc2s1	10667169	GDGSXUJQGRKLPD-CYBMUJFWSA-N	400.529	3.345	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1	408779274	UANTXNXFOAJLKW-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(C)cc(C)n1	409229475	PPECEOOMPAAVDG-DJKKODMXSA-N	423.336	3.497	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c(OC)c1	33533840	OLPCZLGSWUIQIN-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2)[C@@H]([n+]2ccccc2)[C@](O)(c2ccccc2)N1	35376685	IYAXXDXWSQKODI-SKBVVQJISA-N	418.480	3.224	50	40	HGGB	
Cc1cc(C)c(S(C)(=O)=O)c(N(C)NC(=O)c2ccc(Cl)c(Cl)c2)n1	1387829	XZPBDHZDVKVDDK-UHFFFAOYSA-N	402.303	3.190	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc(OC)c1OC	6189246	IPQMQLMQDQRTKS-ZMOGYAJESA-N	422.485	3.338	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)cc1	12276331	UUXSNTLUKYRRJX-OALUTQOASA-N	408.479	3.366	50	40	HGGB	
Cc1nc2cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc2n1-c1ccccc1	26962496	VNCASVGSTJPEBM-UHFFFAOYSA-N	414.421	3.137	50	40	HGGB	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1OC	1445118	VKZNZGZCWSOOET-DQAKUKQTSA-N	407.264	3.384	50	40	HGGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1895034	YMACIPJGFGRHFX-UHFFFAOYSA-N	420.790	3.446	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1Cl	6441635	KSINXTJVTCZNMG-AWEZNQCLSA-N	419.934	3.433	50	40	HGGB	
Cc1csc(CC(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1	12599353	RCINPWSQIRJXGS-UHFFFAOYSA-N	417.494	3.308	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1	12809023	WTYPDZRHDNJMJK-UHFFFAOYSA-N	412.515	3.397	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc([N+](=O)[O-])c1O	30937459	PDZHHBJCYCDCQH-DNTJNYDQSA-N	407.810	3.108	50	40	HGGB	
Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c1O	36144763	LAXWHELJQPEQQM-CIQOZVAXSA-N	413.430	3.196	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)c2cccnc2Sc2ccc3c(c2)OCCO3)n1	37150405	ZYDDQHDNQPSOFP-UHFFFAOYSA-N	409.471	3.168	50	40	HGGB	
O=C(NN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O)c1ccccc1Cl	38179431	NHMFWUJISWMFHD-UKTHLTGXSA-N	419.224	3.235	50	40	HGGB	
COc1ccc([C@@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OC)cc1	4855220	WPYIACVONYOLEG-NJRDNMGOSA-N	417.465	3.325	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	2367021	BQNBYGJSGSLRKZ-DKSCHZSNSA-N	406.305	3.322	50	40	HGGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1cccc(F)c1	3661616	GIOCCWMXIFCEIX-LHXREVONSA-N	420.396	3.335	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Cl	408967780	SAWBQZZKVSULCP-LIMNOBDPSA-N	424.215	3.320	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1	409002519	OFCYDPMUQWGRAQ-WSDLNYQXSA-N	420.381	3.022	50	40	HGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC	806338	VMXNNUFOEXFIKL-INIZCTEOSA-N	410.455	3.382	50	40	HGGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc(Cl)cc(Cl)c1O	5775189	XAGCYJIPLNNTDH-DKNGMTOASA-N	406.269	3.165	50	40	HGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)CC(C)C)cc1OC	10160661	KZJIMQQMERSKKW-UHFFFAOYSA-N	422.485	3.364	50	40	HGGB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(SC#N)cc2[N+](=O)[O-])C1=O	408530784	MRIDYWWDSLOVLB-UKTHLTGXSA-N	423.410	3.055	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](O)c3ccccc3)c2C)cc1	408591411	SWMSGCHOVYTGLH-GQBLCDNYSA-N	405.454	3.064	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1	840404	FRMXTKULTFHSRN-JTQLQIEISA-N	413.257	3.239	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OCC	409047718	QEVTYKLVZDHUOP-SRZZPIQSSA-N	417.805	3.128	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	1421639	TXZBIGJAYPQYAV-FOKLQQMPSA-N	409.364	3.202	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1OC	1428060	KMSAELIRHJRFML-CQSZACIVSA-N	416.455	3.087	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	1917632	QOAGCAFJDBDFKU-RVDMUPIBSA-N	407.382	3.032	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	2052966	QQXOGGGQDOJVOO-HZHRSRAPSA-N	405.435	3.090	50	40	HGGB	
COC(=O)N/N=C(\C)c1sc(-c2nc(C)c(/C(C)=N/NC(=O)OC)s2)nc1C	5810446	ZGOPZMBFURLQGR-LQGKIZFRSA-N	424.508	3.043	50	40	HGGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccccc1)OCCO3	13503649	IQONBWUULXFDMY-UHFFFAOYSA-N	423.494	3.122	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)c(C)n1-c1ccccc1	32193743	MZGSLCANANZSOZ-ONUIUJJFSA-N	402.498	3.293	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2)Cc2ccccc2)cc1	59515864	LDCAEUGNYLZOSR-LFVJCYFKSA-N	421.522	3.336	50	40	HGGB	
O=C1[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C(=O)N1Cc1ccccc1	101136885	MYIQOLIVIODDMM-LPWJVIDDSA-N	401.098	3.109	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1nc2ccccc2[nH]1	408602513	CCNZIANHUHOTOK-WPNIOXTASA-N	402.454	3.301	50	40	HGGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc2c(cc1Br)OCO2	1214036	DBJYNSBQVANVDP-FBCYGCLPSA-N	411.639	3.360	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(OC)ccc1OC	2324093	ROZKYIUZVCRBQD-LJQANCHMSA-N	406.438	3.486	50	40	HGGB	
Cc1cccc(C)c1NC(=S)NNC(=O)NNC(=S)Nc1c(C)cccc1C	6491149	GJUVPWKTYQFJBW-UHFFFAOYSA-N	416.576	3.322	50	40	HGGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1	6928641	FGPQOCFRRKBRFL-UHFFFAOYSA-N	410.477	3.331	50	40	HGGB	
CCC(CC)=NNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1	19926345	ZAQHXYODUSABQS-UHFFFAOYSA-N	417.531	3.491	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2	101113305	VUBVNWRXPHTIHJ-HTUPGXDSSA-N	421.975	3.205	50	40	HGGB	
CCOC(=O)c1c(NC(=O)NN=Cc2cccc(OC)c2O)sc(C(C)=O)c1C	245241500	GKWAQVFLDRHYAS-UHFFFAOYSA-N	419.459	3.306	50	40	HGGB	
CCOc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccc(OC)cc2)cc1OC	818308	NJLLDFWHGQSEIE-IBGZPJMESA-N	411.483	3.402	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C	2313616	DZKJEEBWTGCGIT-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2OC)c2cc(Br)ccc21	4544149	GEULMFVPVXEADE-FXBPSFAMSA-N	414.259	3.124	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1O	17015910	BYHVGCZGFWQIIQ-SSDVNMTOSA-N	408.414	3.433	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@]12C(=O)N1CCCc3cccc2c31	17093565	NSFNSJMIUUZMCG-QLXKLKPCSA-N	423.472	3.342	50	40	HGGB	
COc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(C)C	20219018	RDWYUMOIBACSHC-KNQAVFIVSA-N	417.513	3.085	50	40	HGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1	1106806	UPIBTJXZVJTKFZ-SSDVNMTOSA-N	423.381	3.285	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(OC)c1OC	4735296	UMOANKSQRAEKDH-RGVLZGJSSA-N	407.264	3.168	50	40	HGGB	
CN(C)c1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	5525319	OAKKJHNCJNMJCZ-KNTRCKAVSA-N	400.486	3.234	50	40	HGGB	
COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)CCl)n2)cc1	19823148	BRDWGJBARBWXFW-UHFFFAOYSA-N	409.939	3.113	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccc(Cl)cc1	32576975	RGZJMRMOBPRRID-QRVIBDJDSA-N	405.329	3.261	50	40	HGGB	
CCN(CC)C(=O)Cn1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc21	409195657	RKSKSWUQAUQRHK-YYHBXHNPSA-N	415.497	3.267	50	40	HGGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1	409366213	YXMGNVCBJRHGIE-FMCGGJTJSA-N	418.877	3.156	50	40	HGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-]	1028911	KTTIJXPWQVYCJC-SRZZPIQSSA-N	413.821	3.271	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	2256342	ILBCKAWDRDESGB-LJQANCHMSA-N	404.857	3.472	50	40	HGGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3c(O)ccc4ccccc34)CC2)cc1	19861308	TYTYUIAXKQUNHQ-WGOQTCKBSA-N	416.525	3.122	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1OC	409195682	ROHKCOPYUQPGIY-UGVMZYNRSA-N	402.248	3.224	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	702289	KSIADTVUCPKXDZ-OAQYLSRUSA-N	413.433	3.152	50	40	HGGB	
Cc1oc(C(=O)NNc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1	45080302	DJPAFVMSUFSJQP-UHFFFAOYSA-N	417.409	3.148	50	40	HGGB	
O=C(NCc1ccco1)[C@@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	102791632	OVDNHNZNMQXLHN-QHCPKHFHSA-N	422.465	3.374	50	40	HGGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1	409059497	RPWDEVAGJRYBPB-MXAYSNPKSA-N	419.872	3.392	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	2255540	BODJPMNOAGOQPR-IBGZPJMESA-N	406.438	3.486	50	40	HGGB	
CCCCn1nc(C(=O)N/N=C/c2ccc(OC)c(OCC)c2)c2ccccc2c1=O	6583597	PCLSCCHDLPRWII-BUVRLJJBSA-N	422.485	3.368	50	40	HGGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2I)cc1OC	409363435	LVBKRKQNDBWUCL-ODLFYWEKSA-N	424.238	3.001	50	40	HGGB	
COc1cc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC	2571073	PQRBBRXZAOWOBC-UHFFFAOYSA-N	413.352	3.198	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1cccs1	100686389	WZTPXPWEUVKTTF-XWGVYQGASA-N	423.501	3.208	50	40	HGGB	
N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N)=C1Nc2ccccc2N1	3294413	CIDLVUCOKOLQLD-UHFFFAOYSA-N	423.889	3.246	50	40	HGGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[C@H]3CCC1	57061345	KEEPGHZIENGBLU-DOUQRPAJSA-N	421.457	3.294	50	40	HGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1)c1ccccc1	409000819	YPJUZSBJLBCVMF-LTNVFZTJSA-N	419.865	3.382	50	40	HGGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21	7098633	KRNOYVMDZTWYFU-SSDVNMTOSA-N	413.275	3.043	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	5529483	LJAVDNBCUMDVBZ-HZHRSRAPSA-N	409.490	3.023	50	40	HGGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)[C@H]1COc2ccccc2O1	2300809	HYODFNHGOIMUAL-TZMAJHSYSA-N	411.639	3.098	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1	409006792	LACHSGZLTHVIFQ-QGOAFFKASA-N	405.458	3.201	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1	409269507	JWWKVMPSHOAFIJ-WORIPGKHSA-N	407.470	3.153	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1	409244804	IYVOPZCQKVYMDB-ULJHMMPZSA-N	404.470	3.086	50	40	HGGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408569962	RGDMAEOACVITEZ-CIAFOILYSA-N	416.524	3.481	50	40	HGGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1	409058287	MBEWGFIOLVKDQC-MXAYSNPKSA-N	419.872	3.392	50	40	HGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc2ccccc12	409390577	FLCFGSYBWWDJSD-ZVHZXABRSA-N	402.410	3.322	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cc2ccccc2o1	1101254	YDCBBWZUAXRNIB-RGVLZGJSSA-N	418.247	3.389	50	40	HGGB	
C/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccc(Br)cc1	4680309	BHKDUBIJZPEGQI-HYARGMPZSA-N	402.292	3.386	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	5634067	GXVDDGNRGBELMX-WSDLNYQXSA-N	416.865	3.316	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cc(F)ccc1F	8108678	ZFXQAPUDPONPCE-UHFFFAOYSA-N	409.439	3.020	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	9014742	YAOZAGLFTADKTG-KRWDZBQOSA-N	423.450	3.410	50	40	HGGB	
O=C(Oc1cccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1)c1cccc(F)c1	33622614	VOAQICJNQNLDFB-CLVGQAISSA-N	420.396	3.335	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1	35301127	GCRSFEABFCYYIJ-UFYCRDLUSA-N	419.506	3.476	50	40	HGGB	
COc1ccccc1-n1c(SCC(=O)/C(C#N)=C(/C)N)nc2cc([N+](=O)[O-])ccc21	104497888	ZCZDCNAXGDXIDI-OWBHPGMISA-N	423.454	3.360	50	40	HGGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408972776	XCQCPVAOBQFKJH-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2ccncc2)c1OCc1ccc([N+](=O)[O-])cc1	409088804	YGZJZSUNHNEVBS-QRVIBDJDSA-N	406.398	3.341	50	40	HGGB	
CC(C)CNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409315454	JLJCGNXDBFLAKQ-CQSZACIVSA-N	422.348	3.293	50	40	HGGB	
Cc1ccccc1N1C[C@@H](C(=O)N/N=C/c2ccc(Br)cc2)CC1=O	716809	RWWDCCRIEFEQLT-FPQGOQEYSA-N	400.276	3.261	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)o1	409029483	AIDHGSDVUBZIDC-FZSIALSZSA-N	418.041	3.288	50	40	HGGB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNC(=O)c1ccc(Br)cc1	969267	JQXXLRVAHXRFEW-GZTJUZNOSA-N	413.275	3.299	50	40	HGGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	2439164	QUGRSTPGAFPXDS-JVXZTZIISA-N	410.282	3.133	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1OCc1ccccc1	5512855	CVWVOVFVLZPDSV-BUVRLJJBSA-N	409.486	3.173	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1-c1ccc(C)cc1	9359343	WEACKOHHPGHEDA-WSDLNYQXSA-N	423.498	3.214	50	40	HGGB	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	12817111	ISQFJTLBBZGJKT-CYBMUJFWSA-N	424.526	3.275	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(C)=O	408759080	XLXDBRQPIYXWJR-KEBDBYFISA-N	421.247	3.156	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(C)c2)cc1	408763261	ILMILKBTDQTZRT-ISXGRJCASA-N	401.532	3.147	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(C)cc1	408790993	VABNVIOGKJROCS-HAVVHWLPSA-N	409.511	3.455	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	4944745	ITWLZHJECCJOEO-HSZRJFAPSA-N	400.413	3.237	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1	1097714	MKIDORWWZQCVHF-KRWDZBQOSA-N	419.397	3.220	50	40	HGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1O	8854791	BXHJIPMTUGGJBP-KRWDZBQOSA-N	419.397	3.307	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	4702710	WNJWGHOADFMKEN-MRXNPFEDSA-N	419.312	3.243	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1	409005453	IYYSQQYLKIUHAP-LFVJCYFKSA-N	409.486	3.096	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1	1086991	QBLSZWYZTBJTQZ-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
C/C(=N/NC(=O)c1cccc(I)c1)c1cccc([N+](=O)[O-])c1	919167	ALCNDXPPVAGEJT-YVLHZVERSA-N	409.183	3.353	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1cccs1	23136092	AIZNWLHQRPTYJW-UHFFFAOYSA-N	402.863	3.078	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2)c(C)c1	6606982	KTGUZOQQSLABTF-SRZZPIQSSA-N	407.923	3.036	50	40	HGGB	
COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cn1nc(C)cc1C	669026	DNIRFTPLAPTQSW-YDZHTSKRSA-N	421.457	3.158	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(C)cc1	104366585	DBMXDUZCBIILOO-SDXDJHTJSA-N	404.495	3.171	50	40	HGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2CCCC=C12	2300393	HXTPRPHSPNDIKK-VLIAUNLRSA-N	420.270	3.149	50	40	HGGB	
CN1/C(=C(/C#N)C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)Sc2ccccc21	13095605	YCSUUOLLLWRVGQ-XSHRGWFDSA-N	410.495	3.471	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	408570540	WNEPGMZSPDUKQN-VXLYETTFSA-N	419.484	3.308	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c2ccccc21	6206249	GTHOTORKQWATNW-ZMOGYAJESA-N	420.469	3.235	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Br	2502485	HRHQQVQWXJZWRJ-KRWDZBQOSA-N	401.216	3.405	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	20208718	ZFVBQKQNEUAHEY-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1	408893447	GDVNPXIUCDQZID-NTUHNPAUSA-N	413.386	3.175	50	40	HGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1ccccc1Cl	409094550	DRAVSXFFWPCXLE-QRVIBDJDSA-N	417.893	3.487	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	8812657	FYHCZLPECHLCAH-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1	1452689	GRXYJEAVOQUYJI-SFQUDFHCSA-N	418.453	3.047	50	40	HGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)cc1)C(=O)O	408855060	CYBLULNASSNYGE-XEQXHXIFSA-N	406.236	3.457	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1	409007189	UYNIHYHXJAPXCF-BUVRLJJBSA-N	412.921	3.409	50	40	HGGB	
CCOc1ccc([C@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408604429	IWOVVGXNHCBWEA-SFHVURJKSA-N	411.531	3.339	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1	730220	LTEQETGBOGQZDX-NRFANRHFSA-N	414.465	3.217	50	40	HGGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F	2364799	WKZRMEPACMLVJS-GFCCVEGCSA-N	406.710	3.294	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)c(OCC)c1	5130504	XJFAHIZZUZZRDJ-GOSISDBHSA-N	403.442	3.487	50	40	HGGB	
O=C(CCC(=O)c1ccccc1)NNC(=O)COc1ccccc1Cc1ccccc1	12784925	LHFDHXUKXVAMMZ-UHFFFAOYSA-N	416.477	3.467	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1	19869133	KAJCWJLKZXVGJH-JBKQSDLLSA-N	401.466	3.218	50	40	HGGB	
O=C(NNC(=O)c1cccc2ccccc12)c1cccn(Cc2ccc(F)cc2)c1=O	23109345	BKKNMIFYZIBYMR-UHFFFAOYSA-N	415.424	3.264	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	408728663	QYEWTAIKLSVHKX-SSDVNMTOSA-N	423.381	3.285	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cn1	2295463	BKIKNIAYVJWXSG-SSDVNMTOSA-N	421.369	3.241	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1O	6180984	MDYGGPXPNFHOMU-BUVRLJJBSA-N	403.438	3.346	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1O	18201394	KDRIBRBDAUHPFM-HAVVHWLPSA-N	423.494	3.128	50	40	HGGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(O)cc4O)cc3C2)cc1	19855252	FKBYRWMNHTYXSC-MSXFZWOLSA-N	403.438	3.391	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1	100887929	NQQYYZQMAOBKSB-OTWHNJEPSA-N	423.469	3.307	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C	408587459	GBDGSRMLQICGOJ-GWJNGDFSSA-N	422.441	3.195	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2ccccn2)cc1Br	1250797	AYQMNHZIQPMCIP-DJKKODMXSA-N	410.293	3.104	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1	19954453	NUHSFWUOICGHAN-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1)C(=O)O	28630452	VMESDQVZSLLQHR-XGTDKWECSA-N	415.496	3.391	50	40	HGGB	
Cn1c(P(c2nc3ccccc3n2C)c2nc3ccccc3n2C)nc2ccccc21	101023625	VKINEWNWQXHNHB-UHFFFAOYSA-N	424.448	3.105	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408612586	VYDHRNMDHIUMAP-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O	408774642	CJTQLYVMCNKXMI-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccccc1	408790240	OEGSLNFYFLGVBM-MDWZMJQESA-N	401.216	3.458	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(N)=O	409218477	FJHHSEPQGQSQBX-VIZOYTHASA-N	413.861	3.375	50	40	HGGB	
CC1(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)SCCS1	409366855	ZNNOCVNMGNAMRB-FRKPEAEDSA-N	403.323	3.214	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)cc1	2777466	VLPKQCCRHBLLBM-CUDHKJQZSA-N	414.502	3.320	50	40	HGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccccc1C(F)(F)F	7985872	SYWIWSTUYKDILL-PCLIKHOPSA-N	404.436	3.368	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1cccc(Br)c1	3272889	AWGFHIUSEVIVOF-MDWZMJQESA-N	418.247	3.257	50	40	HGGB	
CCc1cc(C(=O)NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)sc1C	8293380	WQBTXWRESORURE-UHFFFAOYSA-N	410.421	3.449	50	40	HGGB	
COc1ccc(CC(=O)N[C@H](C)C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1	409167341	IDHCHNSGDYFBSR-NFXIUMSZSA-N	420.513	3.428	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccccc2Cl)CC1	409004236	BLKNRFUMJKEBBI-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
N#C/C(=C\c1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	98087428	HFHCKLDXLVESNW-OVCLIPMQSA-N	406.427	3.087	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	408945025	WITAHGUTZXOEDW-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	19597187	ACOPRBIGPPLJIX-PDGQHHTCSA-N	422.485	3.139	50	40	HGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccnc1)c1cccs1	3184836	IXGFPEYCZSFIDJ-KTCKORJGSA-N	417.494	3.116	50	40	HGGB	
CCCCCn1nc(C(=O)NNC(=O)c2cc3ccccc3o2)c2ccccc2c1=O	6982130	WZIGOUUCGWHCSI-UHFFFAOYSA-N	418.453	3.408	50	40	HGGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	7780645	JIKMUKZRERLZQW-ZVBGSRNCSA-N	407.308	3.220	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cccc(C(F)(F)F)c1	12783392	RNYXQVMCLPKPCG-LSFURLLWSA-N	419.812	3.160	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	59433320	SXOMWDQNOVVSAA-CIAFOILYSA-N	424.369	3.464	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1	408707386	JTVFGKCLHXXYFH-UFFVCSGVSA-N	423.698	3.432	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(F)cc1	6761765	IZJNGLGMSGBEIL-BBMHEYIBSA-N	415.465	3.386	50	40	HGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3oc2=O)c(OC)c1	951108	PBVVYOAOFUWKHV-OQLLNIDSSA-N	405.362	3.101	50	40	HGGB	
O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4[C@@H]5[C@@H]2[C@H]2[C@@H]3C[C@H]4[C@H]2[C@@H]5Br)c([N+](=O)[O-])c1	104202621	NQFULNLZXDXRAN-YGKUPLJPSA-N	419.235	3.422	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	59434131	WJGFDBJBRCQYRR-UFFVCSGVSA-N	408.241	3.259	50	40	HGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1	8110654	IRSCBUQDVXHPBC-UHFFFAOYSA-N	406.460	3.186	50	40	HGGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1	409253192	AVCSPAHTOKEAMV-UCQKPKSFSA-N	418.409	3.376	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	408783184	LTCATYGUAILFOR-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1cccc(Br)c1	1095220	FJCHMCJHSVUNCL-MDWZMJQESA-N	401.216	3.458	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccco1	1444617	RXFLTWLAZFFNBE-YDZHTSKRSA-N	408.410	3.345	50	40	HGGB	
CN1CCN(/C=N/C2=C(C#N)[C@@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)CC1	2404161	YYKGEQLXOIOEML-QZLJHNFXSA-N	404.514	3.454	50	40	HGGB	
Cc1nnc(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)s1	4508800	DKOFHTCJJLJFIZ-QGMBQPNBSA-N	406.924	3.236	50	40	HGGB	
COc1cc(C(=O)N/N=C/c2sccc2C)ccc1I	4739620	RONKWIUCYZJENS-LZYBPNLTSA-N	400.241	3.434	50	40	HGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	6684358	MXKOASKSDSDZMR-YRJNPLERSA-N	410.861	3.183	50	40	HGGB	
Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	35128944	VUSNENKQSBLDLE-WQLSENKSSA-N	412.456	3.482	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3C)c2C)cc1	58913805	IMKKFLKXKLVKRR-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
Cc1ccc(-c2ccc(C(=O)n3cc(C(=O)NN)c4ccccc43)o2)c([N+](=O)[O-])c1	226767172	LIAZVBLDLCEAGY-UHFFFAOYSA-N	404.382	3.410	50	40	HGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccs1	2177552	ZLIBMHCVAMEGTQ-UFFVCSGVSA-N	414.314	3.480	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSc2ncccn2)ccc1OCc1ccccc1	408833376	URYSGBIPYOGKQL-ZMOGYAJESA-N	408.483	3.307	50	40	HGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1	5127711	IGCKFAUTASHDFR-NMVQVFOTSA-N	413.481	3.069	50	40	HGGB	
CCS(=O)(=O)c1ccc(O)c(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)c1	6271216	OWMUAHVTLSHRQZ-LCYFTJDESA-N	422.409	3.333	50	40	HGGB	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	14199339	BFMPJOOORYAGAR-GFCCVEGCSA-N	401.513	3.425	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)OCN2C(=O)c3ccccc3C2=O)c(C)n1CC(C)C	7736721	CNAVAIJDXGCUIY-VCHYOVAHSA-N	405.454	3.465	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2)cc1OC	40911780	XNQLYHDFSCWNHK-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
Cc1noc(-c2ccn3c(CNC(=O)CCCC[C@H]4CCSS4)nnc3c2)n1	575610055	VGZGJNHZHYPGDY-AWEZNQCLSA-N	418.548	3.418	50	40	HGGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1O	3132262	FWCLTYYMXFHMFZ-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1	4354960	CMMYOEISGOFTIF-ROUUACIJSA-N	407.861	3.222	50	40	HGGB	
COc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3cccc(OC)c3)c2)cc1	8116986	DEAPGNJQROYIME-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(COc2ccccc2)cc1	9440004	QDCMKWQJHPGGIK-UHFFFAOYSA-N	416.393	3.260	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@H]1c1ccco1	100935731	JNYMAFJWWRAFIQ-IBGZPJMESA-N	415.515	3.306	50	40	HGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	101500348	VLGIIJUHUKXFJF-AFUMVMLFSA-N	400.438	3.299	50	40	HGGB	
N=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O	1889133926	ZDLHCGIGSNPOLI-UHFFFAOYSA-N	421.196	3.268	50	40	HGGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@H](c3ccccc3)CC(=O)N2)cc1	6441525	SOTWDLXOJNRHQC-SFHVURJKSA-N	407.495	3.083	50	40	HGGB	
N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)N/N=C/c2ccco2)c1=O	642402	GAWXOAVYMIVRAC-CVKSISIWSA-N	423.432	3.192	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(I)ccc2O)cc1C	3115370	NITVMSCOAHIEHP-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc21	1857601	PUCVQRWEBVTBDK-FOWTUZBSSA-N	420.444	3.089	50	40	HGGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1C(=O)NC3(CCCCCCC3)C1=O)C2	58392103	SYHBQCRAIRKHFO-VZHFMWSKSA-N	402.539	3.340	50	40	HGGB	
CCCc1n[nH]c2c1[C@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	9069246	MACASKMNQYGOJM-CQSZACIVSA-N	403.236	3.072	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c(C)o1	40069547	DCXWFHALECTVHF-UHFFFAOYSA-N	407.405	3.087	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)o1	6381064	SASBBJFPOWJQKT-SSDVNMTOSA-N	410.382	3.035	50	40	HGGB	
COc1cc([C@H]2CC(=O)NC(SCC(=O)OCc3ccccc3)=C2C#N)ccc1O	1246478	BQYSADGSBKRNIA-MRXNPFEDSA-N	424.478	3.216	50	40	HGGB	
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12	9381474	FAJCZSCKLGMENY-VIFPVBQESA-N	423.853	3.329	50	40	HGGB	
Cn1nc(C2CC2)c2c(C(=O)NNC(=S)NC3CCCCC3)cc(C3CC3)nc21	17089352	ATVLBMSHQVMQNK-UHFFFAOYSA-N	412.563	3.165	50	40	HGGB	
CC/C(C)=N/NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1	19926342	VEIBHJVCOPXPAX-LTGZKZEYSA-N	403.504	3.101	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	101139523	VOPIJSAHMVYJFN-JOJVEKOVSA-N	413.109	3.277	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(OC)c(Cl)c1	408608466	WLZVNMIWXZDXSQ-HNNXBMFYSA-N	404.879	3.297	50	40	HGGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1OC	409214553	YCZYKNYNTHNGED-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccc(Cl)c1Cl	2177546	DHYUILUXEXFIBR-GZIVZEMBSA-N	414.676	3.292	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)cc1	5513656	IHSFDDJDNDCOIL-RGVLZGJSSA-N	407.264	3.168	50	40	HGGB	
CCOC(=O)c1c(C)nc(CO)c(C(=O)N/N=C/c2ccccc2)c1-c1ccccc1	8337922	PZQPUOFCXMCVRX-AFUMVMLFSA-N	417.465	3.490	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@]12C(=O)N1CCCc3cccc2c31	17093566	NSFNSJMIUUZMCG-WGDIFIGCSA-N	423.472	3.342	50	40	HGGB	
CCCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19830972	FSIVLYANLFPKSC-UGKGYDQZSA-N	417.513	3.229	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1	408783032	MICMUEDOVVXKOB-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
O=C(CCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12	2345056	UJQSTGZFRSLPCE-BKHCZYBLSA-N	400.442	3.030	50	40	HGGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(-n2cc(Br)cn2)cc1	31603721	BNGNQXSTTVGDJX-UHFFFAOYSA-N	424.258	3.191	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1	408610966	PEBFCYIQWRDOGW-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1C	408615123	MDBVAZVQQKOBIS-ZDUSSCGKSA-N	420.296	3.424	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	408940145	ODHWJKJSQIMRCH-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
CCOc1cc2c(cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)OCO2	409095577	HSICPLVSLVYYCP-MYYYXRDXSA-N	418.449	3.200	50	40	HGGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409142701	ATKQGIMPLUUCPI-QGZVFWFLSA-N	418.291	3.196	50	40	HGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1	1001400	GOVRFCNPZVOICU-YDZHTSKRSA-N	422.514	3.024	50	40	HGGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C	408589798	MWJADENQJKPTKO-WSDLNYQXSA-N	405.882	3.359	50	40	HGGB	
COc1cccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1OC	408736010	ZRELBPCSMJJRED-AFUMVMLFSA-N	415.449	3.322	50	40	HGGB	
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408603261	FITLXGKWZOVNKY-HNNXBMFYSA-N	404.879	3.297	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cccnc3)cc2)cc1C	32109662	GXCHUGKKJKNHNN-MXAYSNPKSA-N	402.454	3.480	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Br	97729873	CTJGPNVFZCHLKH-KEBDBYFISA-N	420.263	3.189	50	40	HGGB	
COC(=O)c1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1	12275143	QJQJWGUVKGCDQK-FDDCHVKYSA-N	420.490	3.425	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c1	2392222	FXSHXLKZVPZCNB-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1	409061911	JYARVWRLKNTCMO-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cccs1	408980927	ULGVQAKMMSKMQU-RHLNUJDMSA-N	403.504	3.308	50	40	HGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1ccc(Br)cc1	409347226	NBPHNHMJOCEUSP-WSDLNYQXSA-N	416.275	3.032	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc([N+](=O)[O-])c1O	36040290	BLRIMLPHWMZFCV-SFHVURJKSA-N	419.397	3.021	50	40	HGGB	biogenic,in-vitro
CCOC(=O)c1c(NC(=O)N/N=C\c2cccc(OC)c2O)sc(C(C)=O)c1C	5473764	GKWAQVFLDRHYAS-UKWGHVSLSA-N	419.459	3.306	50	40	HGGB	
CCCN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21	100525841	SISRRVYRBUFHCH-SILNSSARSA-N	402.248	3.045	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccc(C)cc2)c2cc(Br)ccc21	5695342	WJQKEWKWLZSIIQ-NKFKGCMQSA-N	415.291	3.056	50	40	HGGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2cccc(OC)c2)c1	12275807	DMDQZLMOILSKQJ-PGRDOPGGSA-N	408.479	3.347	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)NCc1ccco1	28215432	AGELENWLOTVINB-WYMPLXKRSA-N	411.845	3.392	50	40	HGGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)c1	28215675	KUWBPHXQOHPRJK-WGOQTCKBSA-N	417.465	3.154	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1O	409006850	QZIYYRNGKSBRGO-YDZHTSKRSA-N	415.877	3.057	50	40	HGGB	
C[C@H](C(=O)NN=Cc1ccccc1O)n1c(-c2ccccc2)nc2ccccc2c1=O	12082381	ZWZCQSAYOCGVHK-MRXNPFEDSA-N	412.449	3.480	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O	59501679	AXYQQECNAZYJEZ-FOKLQQMPSA-N	409.364	3.289	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(I)c1O	2320179	GEUGELVNUWHXTI-LZYBPNLTSA-N	406.220	3.254	50	40	HGGB	
CCOC(=O)c1c(NC(=O)NNC(=O)c2ccccc2)sc2c1CC(C)(C)OC2	6764456	MLOPTGAHIKJWRZ-UHFFFAOYSA-N	417.487	3.243	50	40	HGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[C@@H]13)[C@H]2Br	408680032	FWUIIRHHVGEACB-HKLHZYFVSA-N	404.182	3.215	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(O)c(I)c1	408725915	LVDBYPJQPLMHCT-FPYGCLRLSA-N	422.016	3.229	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)c([N+](=O)[O-])c1	9972328	BIHYQJVZNLUEPM-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)O)c2)cc1OCC	409325541	ZTTMFNQJLPRDRW-XKZIYDEJSA-N	400.431	3.101	50	40	HGGB	
O=C(N/N=C/c1ccc(Br)cc1)C1CCN(C(=O)c2ccccc2)CC1	409006516	OJPZICOUYVUGKT-HYARGMPZSA-N	414.303	3.452	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2OC)c1	1435046	CAPIAQQHEOBNJU-ZMOGYAJESA-N	405.410	3.082	50	40	HGGB	biogenic
N#C/C(C(N)=O)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	16758873	LDMGLVCJZSBNQV-BAACNHRGSA-N	401.850	3.391	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2ccccc2oc1=O	1095870	RBZNRVVGGGBRJZ-CQSZACIVSA-N	402.406	3.175	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(C)=O	3102325	SAKNWWSSAKDJHD-ZVBGSRNCSA-N	411.241	3.456	50	40	HGGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1)c1ccco1	3182865	MGYFBLFIJUQGAR-KWAFQGHKSA-N	422.441	3.367	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccccn3)c2)cc1	40161282	NPXXMPXCEJZMSW-HAHDFKILSA-N	424.482	3.045	50	40	HGGB	
O=P(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1OCCO	101609672	JEDZPAKRQMCORO-UHFFFAOYSA-N	417.239	3.460	50	40	HGGB	
Cn1/c(=N\NC(=O)c2ccccc2I)sc2ccccc21	103050291	WXSOYLYRKZPILR-OBGWFSINSA-N	409.252	3.090	50	40	HGGB	
COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2C=C[C@@H]1[C@H]1[C@@H](Cl)[C@@H](C(Cl)(Cl)Cl)[C@H]21	103734862	ZHFQQVKDSXTXHT-SNOLMJLPSA-N	402.101	3.220	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)NC1CC1	408607929	FSUMQEWTHQHTBO-NUGSKGIGSA-N	424.259	3.440	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1	3454228	IJRACZHHBBLHGW-UHFFFAOYSA-N	406.866	3.286	50	40	HGGB	
CC(C)CCOc1ccc(C(=O)NNC(=O)CCNC(=O)Nc2ccccc2)cc1	10628158	LAZDGUOFOIMMGU-UHFFFAOYSA-N	412.490	3.084	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1	12250340	HQINQWIYKLLEAT-WOJBJXKFSA-N	420.490	3.349	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1O[C@H](C)C(=O)N(C)C	13058347	MLKAEWMFFDOJKP-APVMCDBPSA-N	413.518	3.297	50	40	HGGB	
O=C(O)c1ccc(Cn2cc(/C=N\NC(=O)c3ccccc3O)c3ccccc32)o1	408545439	YTNQODBWJIUTNB-KSEXSDGBSA-N	403.394	3.450	50	40	HGGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1	408785377	YPNVLPNVBGROSJ-CIAFOILYSA-N	417.874	3.175	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408815379	RGKUYRIAWZQVMA-CLAOVTEXSA-N	421.844	3.011	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(Cl)c1O	59475353	ZTEYXQYQJUQORP-DNTJNYDQSA-N	412.671	3.379	50	40	HGGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1O	3276128	MSNVUKXPSZDYRJ-HYARGMPZSA-N	408.483	3.116	50	40	HGGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1[N+](=O)[O-])c1cccnc1	104078923	QYXBSMWSAKGJML-CIAFOILYSA-N	410.261	3.038	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O	35655050	SAHAVQUSSCLKPV-AWQFTUOYSA-N	407.810	3.190	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1OC	2309775	IZYBSZHFPRFCIQ-MRXNPFEDSA-N	423.494	3.414	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OC	408775241	FROOHKRIBFOYHC-SDQBBNPISA-N	414.243	3.130	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCC(=O)O	408749072	KYFUDJQDNJBRJB-KEBDBYFISA-N	421.247	3.075	50	40	HGGB	
COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408856484	KKFPCWHURVTUIY-ODLFYWEKSA-N	423.267	3.043	50	40	HGGB	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	604404937	JTPHPIUYWFAEFC-SOUVJXGZSA-N	423.560	3.416	50	40	HGGB	biogenic
COc1cc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc(OC)c1OC	885049	IZOCRZLYKJPIRD-ZVBGSRNCSA-N	402.838	3.086	50	40	HGGB	
CCNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O3	15083784	UEZYDFINRJKGTG-AWEZNQCLSA-N	419.466	3.120	50	40	HGGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O	2354225	MJWABUXEVMJABQ-JURJYWISSA-N	411.241	3.388	50	40	HGGB	
Cc1ccc(O)c(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1	3170349	AQKWGYHXEYOADT-CVKSISIWSA-N	401.466	3.099	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1	13140115	JXPUGYJJOBWAOU-XQNSMLJCSA-N	423.494	3.284	50	40	HGGB	
N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccc(Br)cc1	33731040	CEPNXQTTYOYFKO-LCYFTJDESA-N	423.270	3.435	50	40	HGGB	
O=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Br)cc1	40120710	PIXGFFVIUVVTSJ-UHFFFAOYSA-N	417.181	3.351	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1OC	4063890	HPEBGPHYAZAPHL-RGVLZGJSSA-N	406.280	3.296	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	12734521	MEHKFNVEUPOIBF-KRWDZBQOSA-N	414.465	3.183	50	40	HGGB	
CO/N=C\C(C#N)=C/C=C\Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	17123752	UDVMGMNVLPWLHW-FDNRFDANSA-N	401.448	3.100	50	40	HGGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])o1	408961942	VVAZJLNOHDCFFA-JJFYIABZSA-N	423.381	3.391	50	40	HGGB	
COc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc(OC)c1OC	707543	YMBPMDHJQWMTPR-YGRLFVJLSA-N	417.289	3.065	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2ccccc2cc1O	33957604	GXDJRKRPXYBNNJ-OEAKJJBVSA-N	420.425	3.054	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(OCC)cc1	408707181	HVVHINXMKHLOCT-YDZHTSKRSA-N	402.882	3.459	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O	2401971	FBUZUYBBHKBZBD-WYMLVPIESA-N	406.829	3.349	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1OC	3148599	OOHIMYDGOHYJGC-YBFXNURJSA-N	424.238	3.001	50	40	HGGB	
CCCCN1C(=O)/C(=N/NC(=O)c2cccnc2)c2cc(Br)ccc21	5737668	CEOAXJAKGIQPFL-LTGZKZEYSA-N	401.264	3.125	50	40	HGGB	
Cc1cccc2nc(C(=O)NNC(=O)c3cc(-c4cccnc4)nc4ccccc34)cn12	12558965	CDOVWFRCLAVQDJ-UHFFFAOYSA-N	422.448	3.328	50	40	HGGB	
CCN1C(=O)/C(=C(\C#N)C(=O)NCc2ccccc2)c2cc(Br)ccc21	409161671	OQABCTJSHRCSMV-FBMGVBCBSA-N	410.271	3.409	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC(N)=O	409247095	GGCZFUCPEGHWHP-ZROIWOOFSA-N	400.232	3.130	50	40	HGGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)NC3CCCC3)c12	6567988	GRQXMLIUKPHEOL-SFQUDFHCSA-N	404.514	3.448	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	59101477	HADRCZKMLVNHPR-WGOQTCKBSA-N	417.465	3.041	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1	35301132	GCRSFEABFCYYIJ-AABGKKOBSA-N	419.506	3.476	50	40	HGGB	
Cc1ccc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1	12672965	LCKDBPLNYLLULO-UHFFFAOYSA-N	409.305	3.076	50	40	HGGB	
CN(Nc1ccnc(C2CCCC2)n1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	97163727	YFYNJDFUDFJSAW-UHFFFAOYSA-N	404.515	3.066	50	40	HGGB	
COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(Br)o2)cc1OC	30951342	RUIOUCCYTRYXFX-UKWGHVSLSA-N	419.235	3.213	50	40	HGGB	
CC(C)C(=O)NNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21	12690805	UMVAJXBLHMYOEY-UHFFFAOYSA-N	400.866	3.072	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cn2cc(Br)cn2)o1	695553	FVTCQGOFNNCRTK-KPSZGOFPSA-N	423.654	3.410	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccnc3)c2)cc1C	28617636	CDHCMKMLBTWKNB-MXAYSNPKSA-N	402.454	3.480	50	40	HGGB	
O=C(N/N=C/c1cccnc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3469987	MUPZHKKPPYBITG-LPYMAVHISA-N	414.874	3.300	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408998579	RIEBBBXYFVVBRJ-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1cc(C(F)(F)F)ccc1Cl	408911309	MWJAJTRHRFAMFN-UHFFFAOYSA-N	411.833	3.171	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NC(N)=O	409245214	PDFWKXRIKYPFQL-MLPAPPSSSA-N	418.222	3.269	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2cccnc2)c1OCc1ccc([N+](=O)[O-])cc1	409080563	FGKSVMDWEXYXTF-QRVIBDJDSA-N	406.398	3.341	50	40	HGGB	
COc1ccc([C@@H]2N(C(=O)CCl)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1	12867503	FPZVDOFXPPHVNU-HXUWFJFHSA-N	422.934	3.164	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1	19956264	WNMNPFMREQIAST-LPYMAVHISA-N	415.446	3.073	50	40	HGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	59515855	KIGWLKCBJIFMFA-LSCVHKIXSA-N	402.208	3.077	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1	408708795	SVQFPPOEERXXLQ-SSDVNMTOSA-N	421.270	3.308	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2)cc1	408841054	FIGVUGJXNGJCAH-ZVHZXABRSA-N	419.437	3.426	50	40	HGGB	
COc1ccc(CC(=O)NCC(=O)N/N=C\c2cn(C(C)C)c3ccccc23)cc1	409152154	DMNCUWKZDBUVLP-MXAYSNPKSA-N	406.486	3.040	50	40	HGGB	
COc1ccc(CC(=O)N/N=C\c2cccc(I)c2)cc1OC	409361373	HBEYXAQMQYVZCK-ODLFYWEKSA-N	424.238	3.001	50	40	HGGB	
C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3cccs3)c2C1	2639221	QVCGALOCROAIRG-ZDUSSCGKSA-N	423.494	3.039	50	40	HGGB	
O=C(CCCCC(=O)N/N=C/c1ccc(F)cc1F)N/N=C/c1ccc(F)cc1F	3261317	LAWYQZXGVDQQEU-KOZSXFMUSA-N	422.382	3.404	50	40	HGGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc31)C(C#N)=C(N)O2	4168950	KMGHBOMOPNNQRI-QFIPXVFZSA-N	417.856	3.291	50	40	HGGB	
C/C(CC(=O)NC1CCCCC1)=N\NC(=O)COc1ccc(C)cc1Br	4416333	WDYKGOOMWAPYTP-HYARGMPZSA-N	424.339	3.467	50	40	HGGB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	7928106	UNWKLQBUENHLCO-ZDUSSCGKSA-N	406.269	3.116	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1OC	9200721	VCCLZUBQMISGKL-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1	9333719	FJXCTPGMMZNEEL-CIAFOILYSA-N	424.486	3.424	50	40	HGGB	
O=C(COc1ccc(Br)cc1)NNC(=O)c1cc2ccccc2cc1O	16507760	RVGFWCQYAKLFNI-UHFFFAOYSA-N	415.243	3.148	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCC#N	32115634	XZSUKMKUDFYAJC-GYRAYZOKSA-N	415.265	3.271	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1	33642990	RHQUDEHZLYRVIW-RGVLZGJSSA-N	403.280	3.237	50	40	HGGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	100039631	LBPSOPUFTJZYRK-XKGUAFHJSA-N	405.454	3.226	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1OC	409392024	NAZNYMVAJWNOMJ-KEBDBYFISA-N	423.263	3.335	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccc(OC)cc2)c2ccccc12	1770516	RLRLOVKEXTVGHM-OBGWFSINSA-N	419.481	3.398	50	40	HGGB	
CCN(NC(=O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)c1ccccc1	2298254	NQNBCZAESGRRFB-UHFFFAOYSA-N	410.420	3.394	50	40	HGGB	
C#CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	4209673	JWLNXTIXWSVQNO-NLRVBDNBSA-N	414.461	3.093	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccccc2F)cc1	4502979	SIKULKYYDJKCEF-LPYMAVHISA-N	415.446	3.073	50	40	HGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc(C(=O)N(C)C)c1C	6825027	HDVGKEATGOECDG-DHZHZOJOSA-N	403.485	3.152	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccccc3s2)cc1	18169023	AVNMIOAMXXXDQW-UHFFFAOYSA-N	404.517	3.084	50	40	HGGB	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2cc([N+](=O)[O-])ccc2s1	108059187	HSXMRAQWPWNATD-WSVATBPTSA-N	414.355	3.210	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1[N+](=O)[O-]	408566696	IKUXUJLUWWHNKF-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1	409148445	ZDOFTPSDXGOCRE-ZWKOTPCHSA-N	423.450	3.266	50	40	HGGB	
CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O	8768876	OFAPXDYCLMPQTN-WUKNDPDISA-N	407.430	3.096	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccc(Br)cc1	36077403	QJWMNENYDNSXMT-YVNNLAQVSA-N	413.275	3.119	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNc3cccc(Cl)c3)C2)s1	40047615	HAXJHZPXHOBABS-ZDUSSCGKSA-N	413.952	3.254	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408706519	AOFZUNMFVGGFHR-SQWLXVSWSA-N	421.295	3.019	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O	408790425	RGJJOMZZZCAIDL-RELWKKBWSA-N	401.532	3.194	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1cc2cc(Br)ccc2o1	408854147	YLZSZTFRSOANMU-WSVATBPTSA-N	420.175	3.279	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1cccc(C(F)(F)F)c1)N(c1ccccc1)S(C)(=O)=O	408906869	JQIYFPMHJMCWDM-UMYHVIPVSA-N	413.421	3.010	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1C	1011023	GXCHUGKKJKNHNN-DHRITJCHSA-N	402.454	3.480	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(I)c2)c1	108011078	PPFUYHKUQQLKQE-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\Nc1ccc(OC(F)(F)F)cc1	9060945	SEFZJOICSZISOY-HAKPAVFJSA-N	421.375	3.269	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(=O)O	409217455	VLUDKOJKAOYRDK-WSDLNYQXSA-N	406.398	3.464	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	409193378	JORJZUORKZSNHY-ZVBGSRNCSA-N	411.241	3.318	50	40	HGGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ncccc2[N+](=O)[O-])cc1	32126979	ZVCCBGSDLNVOEB-FSJBWODESA-N	420.381	3.031	50	40	HGGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4cccs4)c(=O)c23)C1	4367746	QHQOATNTQRQBDW-IYAQMVOYSA-N	400.529	3.356	50	40	HGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1C#N	1506293	LDGKMDMKOPXFMN-GZIVZEMBSA-N	407.257	3.244	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O	101075917	RSENKQGFQBGRLI-KKOKHZNYSA-N	401.098	3.421	50	40	HGGB	
CNC(=S)NNC(=O)c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	642392	CKRKGFLETNZGNZ-UHFFFAOYSA-N	417.494	3.483	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1	8043476	UXEMDKAUYWUPOG-FYJGNVAPSA-N	414.439	3.128	50	40	HGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1	8372185	GOUCHTMYUIYGNM-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1	19954330	ADWVFUVSEXGAPP-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	20086133	JDXCEEBVSXCKRT-RNODOKPDSA-N	415.449	3.316	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccccn3)c2)cc1	20755272	NPXXMPXCEJZMSW-HZHRSRAPSA-N	424.482	3.045	50	40	HGGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC2CC2)o1	32646878	QVFNWVWZRACUFL-UHFFFAOYSA-N	424.693	3.437	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)COc1ccccc1	100059425	YKSQTCODKQNVFX-CIAFOILYSA-N	404.810	3.148	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc([N+](=O)[O-])c1O	408566920	BMBXTONWNVFXBH-VXLYETTFSA-N	419.484	3.308	50	40	HGGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408776600	WTHBNBNPFKJAFX-HYARGMPZSA-N	417.531	3.125	50	40	HGGB	
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)/C(C#N)=C/c1ccccc1	1100176	RITIJFIEGDTVGX-QGOAFFKASA-N	408.479	3.215	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	1423067	DUCAMNBBYFUAIS-QHCPKHFHSA-N	418.403	3.376	50	40	HGGB	
CCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	6323093	UHQLEHYFOKLEJV-CYBMUJFWSA-N	407.923	3.337	50	40	HGGB	
CCOc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	20000219	AIZDIQKRZWHYTD-KNQAVFIVSA-N	417.513	3.228	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33767445	TXFSGFPVBGQYHR-GIJQJNRQSA-N	400.372	3.490	50	40	HGGB	
COc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	46085007	MXNDNSLWFCEETA-FLFQWRMESA-N	401.422	3.082	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1cccc([N+](=O)[O-])c1	59459134	JXJWHURTZPFDCN-AWQFTUOYSA-N	415.203	3.375	50	40	HGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1	409020349	OJGIPGOJCVTLNI-OYKKKHCWSA-N	403.438	3.482	50	40	HGGB	
CC(C)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc1	2177548	ARPOFJXUTLGVLZ-BHGWPJFGSA-N	417.893	3.020	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)CNc2cccc(C)c2)c2cc(Br)ccc21	5695343	NVYZGOPWOPYREI-NKFKGCMQSA-N	415.291	3.056	50	40	HGGB	
COc1ccc(NC(=S)NNC(=O)CSc2nc3ccccc3s2)cc1	6953341	PMKHBJWHWHKGIY-UHFFFAOYSA-N	404.542	3.415	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1OC	10386950	SIKKDQRKSJXJJF-UHFFFAOYSA-N	424.848	3.243	50	40	HGGB	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1)SC[C@@H]2CI	16478118	SCNUPPUCTAXSJM-FZMZJTMJSA-N	420.279	3.065	50	40	HGGB	
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	19950186	UIJMJDUTFMZVJV-FYJGNVAPSA-N	417.874	3.279	50	40	HGGB	
CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21	20595030	DPXRZPALZLUFAK-FLFQWRMESA-N	408.502	3.255	50	40	HGGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	58900635	CLHZZIFPQKSDOC-WSDLNYQXSA-N	420.381	3.022	50	40	HGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccccc1Cl)S(C)(=O)=O	408787383	ZEIZFUSFHZDPQG-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCOc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1O	4724646	MRZWIBIUXQQZQN-VCHYOVAHSA-N	410.211	3.159	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCCOc3ccc(C(C)=O)cc3)ccc21	9910582	PSGVBTJEFXJRQV-UHFFFAOYSA-N	422.485	3.187	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c[nH]c2ccccc12	32576987	FZYRSUCWRIPFCJ-QFEZKATASA-N	409.921	3.089	50	40	HGGB	
CC(C)NC(=C(C#N)C#N)[C@]1(C#N)[C@H](c2cccc(Br)c2)C1(C#N)C#N	78547361	JHTOBOLMISIACT-APWZRJJASA-N	405.259	3.389	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)cc1	102198867	VLPKQCCRHBLLBM-LFGUQSLTSA-N	414.502	3.320	50	40	HGGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)c1	107962094	AXYAPEFLJYXTPD-FSJBWODESA-N	424.409	3.338	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(C#N)cc1	409197174	XQXOQTGNVJOZLD-IOAQBMTJSA-N	417.465	3.348	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]([n+]2ccccc2)[C@](O)(C2CC2)N1	409415801	TULILSRMXDGPNB-MDNUFGMLSA-N	416.892	3.130	50	40	HGGB	
O=C(NNc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	1628557	OSEPBJOMVJGXKO-CPNJWEJPSA-N	401.422	3.330	50	40	HGGB	
COc1cccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(N)=O)c1	2361648	DTIMUWKKAQHONQ-SWEXZPIWSA-N	413.886	3.260	50	40	HGGB	
COC(=O)Cc1n[nH]c2c1[C@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2	9330018	PPXOXYPHPIXPKL-LJQANCHMSA-N	420.400	3.275	50	40	HGGB	
O=C(CCSc1ccc(F)cc1)NN[C@@H](C(=O)N1CCCC1)c1ccccc1	15489998	HVBMTXVZJMPHGD-HXUWFJFHSA-N	401.507	3.292	50	40	HGGB	
CSc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1	19861393	IKBJYYBSPLRFQA-OEAKJJBVSA-N	416.978	3.330	50	40	HGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O	408786881	XAFVVNRMWDGCFQ-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OCC	409131640	JNBGAENCBDLUJL-HNNXBMFYSA-N	419.279	3.496	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O	2265229	XYXTUAGQJXCLSX-AWQFTUOYSA-N	407.264	3.309	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1OC	4402135	MYVAQBFSYCKUJX-WSDLNYQXSA-N	401.850	3.311	50	40	HGGB	
COC(=O)[C@H]([C@H](Br)C(=O)c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	4409354	ODIJROLPAWOZGU-PMPSAXMXSA-N	406.232	3.440	50	40	HGGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\C=C\c1ccc(Br)cc1	4498969	XQAWEFHZLKKXEC-ZJRXYIAFSA-N	412.287	3.094	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	19951254	QIGGIGNFNVPICG-HKOYGPOVSA-N	422.510	3.126	50	40	HGGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)c1cccc(F)c1	3661618	GIOCCWMXIFCEIX-RNRKLAHPSA-N	420.396	3.335	50	40	HGGB	
Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(Br)cc3)ccc12	8951256	JUAGHDWCAUBMDW-UFFVCSGVSA-N	415.243	3.393	50	40	HGGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CN1C[C@H](c2ccccc2)CC1=O	16194600	KKHPTOGRABLGJF-GQLBNTDBSA-N	420.296	3.468	50	40	HGGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36020493	YWMBITIDYWCZPL-KEBDBYFISA-N	404.810	3.131	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	59434134	MZDLDMWMYSVBKD-UFFVCSGVSA-N	408.241	3.259	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)N2C(=N1)SC(C#N)=C2N	408603391	GKHLYYWSMRBYMA-QGZVFWFLSA-N	412.471	3.143	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccc(Cl)cc1	58914256	NMTAEQJSKDPICH-WGARJPEWSA-N	423.904	3.299	50	40	HGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	408792650	BRYPIURWCFIRNX-NTEUORMPSA-N	400.818	3.446	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)cc1	5034820	NZIVNODDXREUTJ-KLJWOBRGSA-N	416.525	3.271	50	40	HGGB	
CCCCCOc1c(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cccc1OC	4664468	POBPNIJNGNJNMP-MFKUBSTISA-N	411.502	3.453	50	40	HGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	9289405	QBEFQVRZARRURF-QGMBQPNBSA-N	412.627	3.409	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408601408	ATNGYWYRGIOKDV-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1	408609830	LRIIXMXRIXJNRP-ZMOGYAJESA-N	415.877	3.070	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1O	409362199	IFIPFYNMYYGRDS-LZYBPNLTSA-N	405.339	3.200	50	40	HGGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccccc2OC)cc(OC)c1OCC(=O)O	408852030	PZUUDWYURQVFCB-UUYOSTAYSA-N	413.430	3.051	50	40	HGGB	
O=C(NNC(=O)c1cccc(I)c1)c1ccc(Cl)cc1	3560871	ZCLCTHYEQPIVFK-UHFFFAOYSA-N	400.603	3.019	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2F)nc2c(C)cccn2c1=O	3644229	FJCQPTRCRDFGNJ-NTCAYCPXSA-N	404.401	3.144	50	40	HGGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CCC3)c2ccccc21	4944747	UARRCEZVMFCHQX-DEOSSOPVSA-N	414.440	3.261	50	40	HGGB	
ClCCOC[C@H]1CO[C@@H]([C@@H]2CC[C@H](Br)[C@@H](Br)C2)O1	5376642	OAQDQNCZAWNUEV-WTPMCQDGSA-N	406.542	3.310	50	40	HGGB	
COc1cc2ccccc2cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1	6453914	FFSHYAFKKJDKTP-UHFFFAOYSA-N	413.886	3.451	50	40	HGGB	
C[C@H](Cl)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	9062379	QRYMNHAAWLJTFP-JTQLQIEISA-N	415.793	3.463	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1OC	12816145	JOWUDZWKKWNVAG-UHFFFAOYSA-N	418.449	3.318	50	40	HGGB	
COc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(C)C	20219017	RDWYUMOIBACSHC-DENIHFKCSA-N	417.513	3.085	50	40	HGGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	33563728	KEEPWHNPZMXKPQ-WOJGMQOQSA-N	421.409	3.138	50	40	HGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(Br)c1	409106192	MMLYIRXEMCZNCT-FYJGNVAPSA-N	402.292	3.358	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(OC)c1	2269609	GCZDSGGSMNRPJJ-AFUMVMLFSA-N	405.454	3.127	50	40	HGGB	
COc1ccc([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	6014800	JKQGNOSEFIWBII-FYYLOGMGSA-N	423.476	3.120	50	40	HGGB	
CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccccc1Br	9422240	CEMQZVGSUVBHQQ-NWFCWYBLSA-N	416.275	3.133	50	40	HGGB	
Cc1nc2c(cc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c(C)nn2C	29784061	SWHWMFRQMYZQST-UHFFFAOYSA-N	408.340	3.269	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1O)[C@H]1COc2ccccc2O1	36093518	UJXWXHAIKQQBRX-TZMAJHSYSA-N	411.639	3.098	50	40	HGGB	
O=C(OC[C@@H](CCl)OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	100927040	AFRUQYCVCQVGCS-GSVOUGTGSA-N	401.284	3.421	50	40	HGGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1Cl	408786060	KPGGHEYHKLEMBG-UHFFFAOYSA-N	423.922	3.364	50	40	HGGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O	409139430	AICDKCGQELWXAP-XQNSMLJCSA-N	419.522	3.452	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1	690932	NGOGBUSMDYVELW-NRFANRHFSA-N	422.529	3.069	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2ccccc2oc1=O	1095869	RBZNRVVGGGBRJZ-AWEZNQCLSA-N	402.406	3.175	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)Nc2cc(Br)ccc21	5424303	FKYLWGUBWOUGLW-IBGZPJMESA-N	414.259	3.006	50	40	HGGB	
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N/N=C/c1ccccc1	5684114	UFWCZVMMSANVKQ-XDHOZWIPSA-N	400.485	3.016	50	40	HGGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-]	33690281	NQFVUNRLIRHUMA-UUYOSTAYSA-N	400.410	3.172	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408611930	SLWJYASFABWCGD-NUGSKGIGSA-N	412.248	3.298	50	40	HGGB	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	408788767	FZZHXBOPGQNUIK-KGENOOAVSA-N	405.498	3.103	50	40	HGGB	
CN1[C@H]2CC[C@@H]1C=C1C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Br)[C@@H]12	1515263	KJLBUTKDFBUFCK-JNPHEJMOSA-N	420.314	3.335	50	40	HGGB	
C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4cc(Br)c[nH]4)cc3c2C1	24122086	VIYJHIROEWRRMJ-JTQLQIEISA-N	415.291	3.458	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc(Br)c1O	1434524	PSHKEXULRAAQPB-KEBDBYFISA-N	421.247	3.089	50	40	HGGB	
COc1cccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(N)=O)c1	2437497	LCHFSHHTIJOUIX-XUMLYMLNSA-N	413.886	3.260	50	40	HGGB	
COc1ccc(C2(C(=O)NNC(=O)Cc3cccc4ccccc34)CCOCC2)cc1	70036911	PCMOZKOJVNXNFP-UHFFFAOYSA-N	418.493	3.287	50	40	HGGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Br)o1	33335971	YOOKKSRWWPSPBG-APSNUPSMSA-N	402.042	3.334	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Cl)c1)c1cccc2ccccc12	19955130	HGCLPNIWNQJEFR-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	16758870	LDMGLVCJZSBNQV-UYPHOHSBSA-N	401.850	3.391	50	40	HGGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1O	1757791	CJEGGKHZNPYHFY-QGMBQPNBSA-N	418.456	3.161	50	40	HGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OC	9296315	STGFYDWJQMHSFY-HNNXBMFYSA-N	405.252	3.106	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC#N	38373827	BLNWFFZCRPGXAO-YVNNLAQVSA-N	408.241	3.433	50	40	HGGB	
C=CCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	83311142	UTDLPOMKZCKGCZ-ROTLSHHCSA-N	406.408	3.255	50	40	HGGB	
O=C1[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1Cc1ccccc1	101136887	MYIQOLIVIODDMM-NDBYEHHHSA-N	401.098	3.109	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2cccc(C)c2)cc1	408763264	ILMILKBTDQTZRT-YRXLECQKSA-N	401.532	3.147	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1	408777348	XXVSFTOZHFSADL-HKOYGPOVSA-N	422.510	3.126	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1O	408966721	NCGJFACHPVADAL-ZVBGSRNCSA-N	406.211	3.328	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1	409370556	AKOOFGJPMNSWDY-QGOAFFKASA-N	405.454	3.242	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1	408712066	XYXLRAFSKBYRDJ-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)c1	409229615	RXGPUOVQINXLKE-HNDQUVLASA-N	410.426	3.491	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CNc2cccc(Br)c2)cc1OC	2744447	VFUZDKFFVSOYPF-SRZZPIQSSA-N	406.280	3.419	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(F)cc1	4551508	AZJGPDQCVHTANO-FSJBWODESA-N	410.405	3.239	50	40	HGGB	
COc1cc(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O	4724084	RQXPXMRFKJLHRN-ZVHZXABRSA-N	410.857	3.440	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)c1	5158718	ARQODTBWYYAAAC-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
CCOc1ccccc1[C@H]1C(C(=O)N(CC)CC)=C(C)N=C2SC(C#N)=C(N)N21	408606129	OLQRZCSHDKHRIZ-SFHVURJKSA-N	411.531	3.339	50	40	HGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1	408923155	FTWBTAYJGOJYFA-HADWXUJASA-N	423.922	3.044	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC	409136468	RIYDCLGSZSHKLU-MRXNPFEDSA-N	418.291	3.196	50	40	HGGB	
O=C(NNC(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl)c1ccccc1	1060712	DGOHOSNELSUFCZ-UHFFFAOYSA-N	419.824	3.215	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@@H]2C1	1301511	VTQGUXVMMMPJAJ-MSOLQXFVSA-N	408.303	3.194	50	40	HGGB	
O=C(NNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1	2645724	PTOUONDAKAFPNO-UHFFFAOYSA-N	403.154	3.423	50	40	HGGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(=O)N3CCCCC3)c12	6567953	NJBZYPSJXMRWSE-QGOAFFKASA-N	404.514	3.402	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	15162395	MMJDVZCUXNJVMI-VULFUBBASA-N	410.518	3.226	50	40	HGGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc(Cl)cc1	19955515	UEEDOHHKKAEQCZ-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
Cc1ccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1	23136077	JLHDGEXTCNFIRH-UHFFFAOYSA-N	410.861	3.325	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1	27563643	YIHZVXWATMSUQO-LFIBNONCSA-N	421.409	3.340	50	40	HGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)c1	409063694	BBDITJWYTXCVNB-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CC(C)c1ccc(-c2csc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1	575425420	DVXHMNXOASOHLQ-DZGCQCFKSA-N	413.952	3.459	50	40	HGGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NN(Cc2ccccc2)Cc2ccccc2)c1	8158281	HPSZYWXXKXFDIK-UHFFFAOYSA-N	423.538	3.284	50	40	HGGB	
CCCCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19816398	HRWOJRUJRPECML-UGKGYDQZSA-N	417.513	3.229	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1	409005755	LEFWSJDEAYNPLD-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
COc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCC(C)C	20219022	RDWYUMOIBACSHC-UGKGYDQZSA-N	417.513	3.085	50	40	HGGB	
COc1cccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccccc2)c1	408768250	VKSKISDAWNFOAF-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
CN(C)C[C@H](/C(Cc1ccccc1)=N/NC(=O)C[n+]1ccccc1)c1ccccc1	16957722	KIGODNSVDXNWDX-NOGAPMQYSA-O	401.534	3.034	50	40	HGGB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)CCCl)scc12	9381382	YFVBSCHGYMSKSP-UHFFFAOYSA-N	419.890	3.500	50	40	HGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c1C#N	1959075	ZYMWFPFRZQWELU-BRJLIKDPSA-N	418.453	3.099	50	40	HGGB	
COc1ccc(CNc2ccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2)cc1	4108412	FKKPOFMZTIWBPA-UHFFFAOYSA-N	400.438	3.394	50	40	HGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1	6186877	FILJSCNZKLTMOU-WYMPLXKRSA-N	417.473	3.116	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OCC	33665733	GOZJUDNOLRBYPL-YDZHTSKRSA-N	413.861	3.473	50	40	HGGB	
CSc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1	408761783	LNZRZZWXAWOIDY-DBRLUCFCSA-N	419.572	3.170	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(Cl)c2)cc1	408790456	WKAYAIIILUGXET-RIYZIHGNSA-N	414.801	3.136	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1C	408883985	WHWYVUWQBZJRJE-SRZZPIQSSA-N	407.923	3.182	50	40	HGGB	
CC(NC(=O)NNC(=O)c1ccccc1Br)(C(F)(F)F)C(F)(F)F	4151132	GPBFXMVRBPMLPX-UHFFFAOYSA-N	422.123	3.276	50	40	HGGB	
ClCCOC[C@H]1CO[C@@H]([C@@H]2CC[C@@H](Br)[C@@H](Br)C2)O1	5376926	OAQDQNCZAWNUEV-CSYMLDBXSA-N	406.542	3.310	50	40	HGGB	
CCCc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	6265455	KULPLGNGSGGSNB-XMMPIXPASA-N	411.465	3.281	50	40	HGGB	
C=CCN(c1ccc(C(=O)N/N=C/c2ccco2)cc1)S(=O)(=O)c1ccccc1	19937054	CNGXKDMHIBASJE-CJLVFECKSA-N	409.467	3.425	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)Cc3cccn3C)cc2)cc1	30738606	YIZIJIVBBQLLGX-QEBMPDTMSA-N	417.465	3.345	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc(Br)c1OC	33741074	HPAMWOPLWAIXFV-KEBDBYFISA-N	420.263	3.189	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	245377494	LPWHFFOAXYBDJY-HUXGKSLCSA-N	413.109	3.277	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1	408955721	YSYAGKRPCBOLEN-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1	1703547	IPMQPSKKWQVMIK-UHFFFAOYSA-N	405.432	3.380	50	40	HGGB	
COc1ccc(NC(=O)[C@@H]2C(=S)NC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1	2627784	YIPBQLCCGTZQDW-DLBZAZTESA-N	412.902	3.312	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	6312906	IXNZQQWEDASAIZ-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1	7260901	IKAQJSMJDPMTMO-UHFFFAOYSA-N	404.536	3.031	50	40	HGGB	
CCCCSCC(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1	23113989	DAWMTRQMCSBFSQ-UHFFFAOYSA-N	402.516	3.325	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Br)c1O	30843127	JTVIFHABXYSHRL-UKWGHVSLSA-N	407.264	3.309	50	40	HGGB	
COc1c(O)ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-]	30937472	PHEUDQBGZCNDOA-DNTJNYDQSA-N	407.810	3.108	50	40	HGGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(O)cc1	33692004	UVLLHIXWWYYVOF-FOKLQQMPSA-N	403.394	3.450	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(N2CCCC2)o1	408855308	CBGRKYDWEHEHBP-JAIQZWGSSA-N	422.279	3.180	50	40	HGGB	
CN1CCC(=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1	408881439	MGMUEQXVAYENJB-QHCPKHFHSA-N	422.554	3.272	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(OC)c1OC	625597	JGHQMCSLSCGLPV-LJQANCHMSA-N	418.453	3.425	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OCCC(C)C	6788594	KMOUOXYISQCMNT-ZVHZXABRSA-N	422.485	3.131	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12	9323867	ODWLQCXWOMYFNW-CXUHLZMHSA-N	420.425	3.359	50	40	HGGB	
CCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccco2)cc1OC	12275233	QHZCWAYVIVQJFM-SPLOXXLWSA-N	412.467	3.330	50	40	HGGB	
Cc1ccc(NC(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1	21041821	QYOKWYDHDKVCJF-LFIBNONCSA-N	408.414	3.058	50	40	HGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	23410707	LHLRIWXRJKFFAK-FYJGNVAPSA-N	423.922	3.407	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59249669	GGSAXPYVNOSIAX-BHGWPJFGSA-N	423.400	3.394	50	40	HGGB	
COc1cccc(C2=Nc3ccc(C)cc3[C@H](c3ccccc3)N2CC(=O)NN)c1	97105691	XTPUATNERSVTOI-QHCPKHFHSA-N	400.482	3.477	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408787246	VRDQSENYKBWDCF-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccs3)c(=O)c21	1262960	NCZIQRIFACGTEW-LJQANCHMSA-N	405.479	3.493	50	40	HGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	4108642	FJHPALDQLRVEFC-LSHDLFTRSA-N	408.370	3.146	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC(C)C)c(Br)c(Br)c1O	16575404	NEGZXLHJSJAFDI-RUDMXATFSA-N	418.085	3.357	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1C	19949380	BIHNFGNGWDPUFQ-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)c1ccccc1	21287553	JHNIXXLDQCNWHW-NSHDSACASA-N	410.352	3.265	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccccc1F)C(=O)N/N=C\c1ccccc1F	38799039	DQLPMDPXSAKUBD-NWTDOYTESA-N	418.469	3.075	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc(Br)c1O	60512593	UFLPPXWPTQMORE-KEBDBYFISA-N	423.263	3.335	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OC	408992766	BSAXSDUAVKALIB-HYARGMPZSA-N	412.446	3.366	50	40	HGGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	690951	DYLPRNHXEAYTSR-GOSISDBHSA-N	419.312	3.341	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc3cc(OCC)ccc3[nH]c2=O)C(C#N)=C(N)O1	931608	RMFNQMWFAJSCKR-IBGZPJMESA-N	423.469	3.352	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1	2272144	FWYSVQFFLFDADX-KRWDZBQOSA-N	402.834	3.084	50	40	HGGB	
CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Br	2272833	UEGIQMKLDSWLHQ-OLZOCXBDSA-N	413.312	3.373	50	40	HGGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(CCCc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	5164634	RJUYPPNGFDEENW-XMMPIXPASA-N	411.465	3.070	50	40	HGGB	
COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccco2)cc1	8116757	ZGHZZCIGMKILAU-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1Nc1ccccc1C	408706764	DGMCJPKKUZCPIX-ZMOGYAJESA-N	406.442	3.107	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	408786745	MUOKTXMWZWXROD-HZHRSRAPSA-N	419.522	3.430	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	2062974	UWDIAGSZSXHNFQ-RNJOBUHISA-N	401.098	3.421	50	40	HGGB	
O=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1	4695637	BKGWDFILPRVRTO-UHFFFAOYSA-N	405.366	3.035	50	40	HGGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1cccc(Oc2ccccc2)c1	13134419	GIARBWFBXPVYGP-QGZVFWFLSA-N	424.482	3.101	50	40	HGGB	
CCOc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccccc1	20493148	XUKQEZAUJYDWJU-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
C[C@@H](Oc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1)c1ccccc1	40128083	CFBNTDNAMTVFIL-CQSZACIVSA-N	406.398	3.205	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1	59472763	QYESDUQJTRCMCP-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408971697	JNLYUTKQAQQBLV-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccccc1	409130179	KOJOPAQUJVYVAE-ZWKOTPCHSA-N	423.450	3.266	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)OC	409240306	GKMCBPDTNNBSJH-KSEXSDGBSA-N	422.840	3.122	50	40	HGGB	
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1	2380838	IKBPUAVDMMLBCB-LBPRGKRZSA-N	416.275	3.306	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2)nc2c(C)cccn2c1=O	4205590	DKXIFCNVUAECBT-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	4453074	FFXWABLVSFUMEF-SFHVURJKSA-N	402.410	3.422	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	4944744	ITWLZHJECCJOEO-QHCPKHFHSA-N	400.413	3.237	50	40	HGGB	
Cn1cc(C(=O)NNC(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccccc21	9798722	CXJILUVZMZCMDB-UHFFFAOYSA-N	419.529	3.308	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Br)c1	58911432	GCYQCRRQJCPEDC-SRZZPIQSSA-N	419.323	3.221	50	40	HGGB	
Cc1cc(SC#N)c(C)cc1N/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	98087041	CXUGVLDOJJQVSM-ATVHPVEESA-N	420.494	3.494	50	40	HGGB	
Cn1cccc1P(=Nc1ccccc1[N+](=O)[O-])(c1cccn1C)c1cccn1C	103447160	RRNBKGBYZCSJPX-UHFFFAOYSA-N	407.414	3.420	50	40	HGGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	108095464	VDRABIJJKZMHMM-ODLFYWEKSA-N	406.236	3.449	50	40	HGGB	
O=C1CSc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc2N1	12944155	FCXRVJLIXGTLFV-UHFFFAOYSA-N	401.513	3.136	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(=O)(=O)c1ccccc1	5205781	CZSPMPMZTWHGEU-HZHRSRAPSA-N	411.458	3.415	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc21	409235820	BZYFILDGWXWCNN-RGEXLXHISA-N	401.466	3.470	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	5479783	INKUHPYRUWTFQL-YBFXNURJSA-N	402.204	3.133	50	40	HGGB	
CCCc1c(OC)c2c(c(OC)c1[C@H]1C(C#N)=C(N)OC3=C1C(=O)CCC3)OCO2	15084735	RYDXWAHBHSVCDT-OAHLLOKOSA-N	412.442	3.200	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3OC)CC(=O)N2)cc1	2327457	BGTFDYGRPWAPGC-KRWDZBQOSA-N	423.494	3.414	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	6377359	GBSOQVSLSZYZSQ-XQNSMLJCSA-N	413.543	3.361	50	40	HGGB	
COc1cc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1O	12276125	IWICKLBRYYZFFV-YCRPNKLZSA-N	412.442	3.183	50	40	HGGB	
CCN(CC)C(=O)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OC	17089594	ZILMIFWHMGXTLR-QGOAFFKASA-N	413.518	3.298	50	40	HGGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(O)c(OC)c2)sc(C(C)=O)c1C	32511862	XDVQARBLRQNXLH-UKWGHVSLSA-N	419.459	3.306	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1	103129397	KKSZJCUSQNKEOR-LGMDPLHJSA-N	408.458	3.001	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)NC(C)C)c1OCc1c(F)cccc1Cl	408612337	VBIYUVMIWIKNIT-AUEPDCJTSA-N	421.856	3.041	50	40	HGGB	
COc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])c1	409225383	PTWPKOXXLZLNEU-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
CN(C)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1	12553398	OTHNKNSDGVXVEM-UHFFFAOYSA-N	411.465	3.438	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1	20208483	HFNDSYJRYNLLSK-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)OC	409191302	UXXCBWQUWXYYLH-ZSOIEALJSA-N	406.866	3.256	50	40	HGGB	
Cc1ccc([C@](O)(CC(=O)NNC(=O)c2oc3ccccc3c2C)C(F)(F)F)o1	14241835	LFJPFAYFHBJRIE-GOSISDBHSA-N	410.348	3.244	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408720267	XBJJTZAYCKDKCZ-PCLIKHOPSA-N	403.482	3.201	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	33705009	XNKFLHMEGZSUPO-MTJSOVHGSA-N	424.369	3.464	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1OC	1438141	WECRDDZVKUTWMV-KRWDZBQOSA-N	419.397	3.220	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1	4893168	PWAJVADAALRJMY-XQNSMLJCSA-N	408.479	3.456	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	6562827	SRPZEOZDTWBLID-BUVRLJJBSA-N	409.486	3.370	50	40	HGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(Cl)cc1	7882466	UXEAYMCVXGIRLJ-INIZCTEOSA-N	407.857	3.307	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1C	20213964	NIBZGKGLPVVMBR-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1	32636369	ZUUAHCMWSGLQQZ-UZGISAJGSA-N	424.400	3.176	50	40	HGGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]c3ccccc23)c(Br)c1	40144768	YPPFJGNUZKPBOM-LBPRGKRZSA-N	416.275	3.467	50	40	HGGB	
Cc1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	102629602	VVKKUJVHRSLCGV-NDBYEHHHSA-N	401.098	3.421	50	40	HGGB	
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccccn1	2697769	VIZQQCTXHPTGOD-ZVHZXABRSA-N	415.478	3.023	50	40	HGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4[C@@H]5[C@H]2[C@H]2C[C@H]5[C@@H]([C@@H]4Br)[C@H]23)c([N+](=O)[O-])c1	104202616	NQFULNLZXDXRAN-ZIBOMAJTSA-N	419.235	3.422	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O	408789813	LYUDONWFERMTOV-RELWKKBWSA-N	401.532	3.194	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)NC34CC5CC(CC(C5)C3)C4)ccc21	5601838	WDTXWTCCPZOLRO-UHFFFAOYSA-N	411.575	3.442	50	40	HGGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1Br	6861035	MKHOKYRFUSESCT-UHFFFAOYSA-N	406.305	3.015	50	40	HGGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc([N+](=O)[O-])cn1	31830381	WHZWJZZIRMQBLC-NKVSQWTQSA-N	414.761	3.365	50	40	HGGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	140286586	BNBKZMYOTFMWHX-QGZVFWFLSA-N	402.403	3.342	50	40	HGGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Cl	6439740	JIHYDAHSILHDFJ-UHFFFAOYSA-N	412.298	3.341	50	40	HGGB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C	28915631	NGJGEZOOIPNHAW-FWCIYEEHSA-N	405.564	3.337	50	40	HGGB	
CCCCCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)CCCCC	100027925	LUKLXNBCPUVMQT-UHFFFAOYSA-N	412.575	3.173	50	40	HGGB	
Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	7653191	CRTKBNFCOZCZCR-IBGZPJMESA-N	407.514	3.102	50	40	HGGB	
CCCCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19816392	HRWOJRUJRPECML-KNQAVFIVSA-N	417.513	3.229	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)c2ccccc2)cc1	38159936	YVCJDSQLMKCLNP-LPYMAVHISA-N	404.382	3.317	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1	104704257	HSIUNWWOXIZOOI-WMJYUBJYSA-N	417.922	3.195	50	40	HGGB	
COc1cc(-n2c(=O)c3ccccc3n3c(CCl)nnc23)c(OC)cc1Cl	408712718	KTKVBSYMDVEUPX-UHFFFAOYSA-N	405.241	3.443	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)o1	409223752	IUHXUVVBWGZBKT-BHGWPJFGSA-N	421.409	3.024	50	40	HGGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C	408591232	SFKSWFDAODSCAF-DUYDGHCJSA-N	406.442	3.494	50	40	HGGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(OC)cc2)cc(OC)c1OCC(=O)O	408852595	UTCQSTCBNKCEMT-UUYOSTAYSA-N	413.430	3.051	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1	409187042	LHKJNOSESJAPRS-DHRITJCHSA-N	421.453	3.094	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1cccc2ccccc12	409238621	KMUPNQREBGHZGD-XYGWBWBKSA-N	419.481	3.214	50	40	HGGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2nc1Cl	4169219	FRIRJPRZQAIJHG-KRWDZBQOSA-N	413.861	3.468	50	40	HGGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3Cl)s2)c1	1512715	PVEFVUXYTLJBMR-SRZZPIQSSA-N	413.890	3.445	50	40	HGGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(N2CCOCC2)cc1	35713105	NTEJNHRVQDLTCU-BKUYFWCQSA-N	412.540	3.375	50	40	HGGB	
CCOCCN1C(=O)/C(=N/NC(=O)Cc2cccc3ccccc23)c2ccccc21	100543196	VIKNUSHHGHMDNU-WNAAXNPUSA-N	401.466	3.286	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	409007498	WWYXEZNZUQQPRM-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250338	HQINQWIYKLLEAT-VQTJNVASSA-N	420.490	3.349	50	40	HGGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccccc1C(F)(F)F)C(F)(F)F	3103179	SKKBLBLXFNEVTN-LBPRGKRZSA-N	406.710	3.294	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1F	408708417	PXJSGZDMRLHNGD-SSDVNMTOSA-N	421.270	3.308	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1	83316991	QBVVVONKRKNFHF-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1cccc(C)c1	15939028	OXVXUOXETMWBGD-SRZZPIQSSA-N	422.279	3.226	50	40	HGGB	
NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1	8043189	RIXVNFOLQHJCIN-SRZZPIQSSA-N	403.847	3.011	50	40	HGGB	
CC(C)(C)OC(=O)NNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	6623447	JJKCDFFZYNOAIS-BUHFOSPRSA-N	417.487	3.269	50	40	HGGB	
COc1ccc(/C(C)=N\NC(=O)c2ccccc2I)c(OC)c1	13576991	QHOXCLVRIWSNKW-ODLFYWEKSA-N	424.238	3.462	50	40	HGGB	
NNC(=O)c1cc(Cl)c2[nH]c(-c3ccc(I)cc3)nc2c1	226344630	HPPGNBVPGGALFQ-UHFFFAOYSA-N	412.618	3.091	50	40	HGGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2)c1	408734898	LGIDFBOCYMYGSU-YGYUYSJASA-N	422.481	3.485	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1cccc(C(=O)O)c1	409020321	NXPJKLZIFMQOHY-AWQFTUOYSA-N	421.247	3.205	50	40	HGGB	
CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O	2444136	CTNYGHVYNHBOIS-YDZHTSKRSA-N	401.463	3.328	50	40	HGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1	409186409	BSRBOXPCUQFXLF-CFRMEGHHSA-N	412.486	3.417	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1NC(=O)c1ccccc1	409208456	CGAIIXWAXNIFHB-LPYMAVHISA-N	405.414	3.161	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1	408711868	OKNYYMGJNRISIC-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)S(C)(=O)=O	19954679	JZOJUTXIOTZBEF-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	203604923	VKQXPWZVNVKZJK-BOPFTXTBSA-N	412.449	3.473	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)CCl)cc1	100191493	KBSXDTXLCUQVMY-XDOYNYLZSA-N	419.934	3.249	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)[C@@H]([C@@H](C)Cl)S(=O)(=O)c2ccccc2)cc1	1762630	XVQJSVUGRINEGD-CXAGYDPISA-N	409.891	3.272	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(C(=O)OC)o1	3335173	GKFRLLRUUMXCHI-WYMPLXKRSA-N	423.425	3.203	50	40	HGGB	
CN(CC(=O)NN(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1	12982659	VQFAXYJMYVDCBG-UHFFFAOYSA-N	420.494	3.048	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1	31783243	VXKYETWJFOTVDU-QRVCQLTLSA-N	424.526	3.303	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1c(Cl)cccc1Cl)C1CCCCC1	33508572	HDTZEFGNIWMMLF-GRSHGNNSSA-N	406.335	3.038	50	40	HGGB	
O=C(O)COc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1Cl	34258250	QSAIABUBVGQQHW-KSEXSDGBSA-N	412.829	3.486	50	40	HGGB	
CC(C)c1nccn1CCC(=O)NNC(=O)COc1ccccc1-c1ccccc1	72284120	YYPBGESCKOXIFI-UHFFFAOYSA-N	406.486	3.290	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3ccccc3)cc2)cc1	408838804	IPTGSTKQIIYYRO-FRKPEAEDSA-N	415.449	3.422	50	40	HGGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccc(F)cc1	102304175	BDCSSNIEDVYKRG-FQEVSTJZSA-N	419.412	3.185	50	40	HGGB	
COc1ccc(NC(=O)[C@H]2C(=S)NC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1	2627787	YIPBQLCCGTZQDW-SJORKVTESA-N	412.902	3.312	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(OC)cc(Br)c2O)cc1	10475899	XHIYTKNJBLTREO-RGVLZGJSSA-N	407.264	3.255	50	40	HGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc([N+](=O)[O-])c1	9262056	ALNGKZHHBOPWDH-SRZZPIQSSA-N	407.342	3.454	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1	104833439	BYWVEJXLPJZTRG-MZYLBHOOSA-N	415.884	3.054	50	40	HGGB	
O=C(N/N=C/c1ccco1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3282826	BEHGEYOLOZRWCU-UDWIEESQSA-N	403.847	3.498	50	40	HGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408927340	ZMHOVYQFEHLLJS-FEMWLQECSA-N	417.531	3.026	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)Cc1cccc2ccccc12	409230852	GLLQZVDCTGHNIN-KOEQRZSOSA-N	403.482	3.378	50	40	HGGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(O)c1	408854257	AZTUJBFTZMDVSL-SILNSSARSA-N	404.514	3.494	50	40	HGGB	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccc(Br)cc2)cc1	15343133	RWYKUADZYIYXGG-UHFFFAOYSA-N	419.275	3.272	50	40	HGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(I)o1	4567786	MYIUNDGRBXJPGW-APSNUPSMSA-N	404.591	3.067	50	40	HGGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1	59472996	UPOILTZSRFWCNI-SRZZPIQSSA-N	404.488	3.105	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c(OC)c1	107615378	MLJYCLDZMWTLMT-RGVLZGJSSA-N	406.280	3.296	50	40	HGGB	
O=C(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)NCCc1ccccc1	59516035	DDKCBMSJLFZCGU-OVVQPSECSA-N	415.493	3.465	50	40	HGGB	
CCn1cc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(C)nc21	6114732	KTXFBNCKOUCTSM-UHFFFAOYSA-N	422.529	3.092	50	40	HGGB	
COc1ccc(COC(=O)NNC(=O)COc2ccc(Br)cc2C)cc1	13895262	USWXCVILYBZXDH-UHFFFAOYSA-N	423.263	3.103	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)c1	5248536	LICCGFAVAVAWFB-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)NN[C@H](C(=O)N1CCCCC1)c1ccccc1	15510526	RXVVAUQAAPVSNU-IBGZPJMESA-N	401.894	3.337	50	40	HGGB	
C[C@H](Oc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1)c1ccccc1	40128082	CFBNTDNAMTVFIL-AWEZNQCLSA-N	406.398	3.205	50	40	HGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(N(C)C)cc1	1433733	GWTOIUFAOQGORO-RGVLZGJSSA-N	406.280	3.053	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1	31783235	VXKYETWJFOTVDU-LQQVGNJJSA-N	424.526	3.303	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	4453075	FFXWABLVSFUMEF-GOSISDBHSA-N	402.410	3.422	50	40	HGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	58883112	UHTVZSZXBUDXJF-QQXSKIMKSA-N	417.465	3.154	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1	58918064	PLRMYYIHADEOJG-KGENOOAVSA-N	413.524	3.402	50	40	HGGB	
Cc1cc(/C=C(/C#N)c2nc(N)nc(N(C)C)n2)cc(C)c1OCc1ccccn1	98006926	CQCUBKXAIXNVFE-BOPFTXTBSA-N	401.474	3.175	50	40	HGGB	
COc1cccc(C(=O)NN/C(=C2\C(=O)N(c3ccccc3)N=C2C)C(F)(F)F)c1	100509964	WFIZBFORCUMMPN-MSUUIHNZSA-N	418.375	3.169	50	40	HGGB	
COc1ccc(C(C)=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1	254615180	YIPBQZUVSVFEST-UHFFFAOYSA-N	410.257	3.490	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1	408611370	QSSFMWJZHSJVHZ-FSJBWODESA-N	417.893	3.292	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1-n1cccc1	409240651	LQCNUEAFALTKDH-JJIBRWJFSA-N	404.470	3.086	50	40	HGGB	
C/C(=N/NC(=O)c1cccnc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	18191584	BYGCFPADTDDWTB-OYKKKHCWSA-N	403.398	3.396	50	40	HGGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1C1CCCCC1	4157192	FIGDEIISZPQCOA-XALSLBCYSA-N	405.130	3.097	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1O	5463479	RJHYLAROACEMLW-RGVLZGJSSA-N	407.264	3.255	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	408767796	OKZHPKIEEUCGQP-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
Cc1ccc(-c2cnc(CCC(=O)NNC(=O)Cn3cnc4ccccc43)o2)cc1C	10470794	FDLKJJLRCUWPBS-UHFFFAOYSA-N	417.469	3.088	50	40	HGGB	
O=C(NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-]	788178	XFWQUOYGTMLWKB-LJQANCHMSA-N	401.422	3.362	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1OC)C(C#N)=C(N)O2	2245823	WXKHEWIVPXORLZ-NRFANRHFSA-N	422.529	3.115	50	40	HGGB	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	22873525	HURYMDXXXRVWBN-GXTWGEPZSA-N	407.580	3.211	50	40	HGGB	
COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)COc1ccc2ccccc2c1	101011100	YWNSRDLKHGZJJM-YZSQISJMSA-N	419.481	3.426	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2	101113311	VUBVNWRXPHTIHJ-AISHXMHISA-N	421.975	3.205	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc3cc(OCC)ccc3[nH]c2=O)C(C#N)=C(N)O1	931609	RMFNQMWFAJSCKR-LJQANCHMSA-N	423.469	3.352	50	40	HGGB	
Cc1noc2ncc(C(=O)NNC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)cc12	32908312	PHGXCZIMPLKUCT-UHFFFAOYSA-N	407.405	3.153	50	40	HGGB	
O=C(CCc1ccccc1O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	12553176	GYRLTURWALXDBM-UHFFFAOYSA-N	412.449	3.396	50	40	HGGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(CC)c1ccccc12	57510553	BANIYPIMVPURTC-LJQANCHMSA-N	423.494	3.431	50	40	HGGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NC[C@@H]1CCCO1	4525053	PZMQJUCNHYYCIV-MRCZTLKWSA-N	406.438	3.166	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OCC	408726220	KBMUTPZQUNBBJV-LFVJCYFKSA-N	411.502	3.080	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccccc1/C=N\NC(=O)c1ccccc1	33765600	PRUIAVXOGXFXEO-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3c(-c4ccccc4)noc3C)ccc21	3384978	HKMPNBBIVRSXBP-UHFFFAOYSA-N	403.442	3.403	50	40	HGGB	
CCCCc1ccc(CC(=O)NNC(=O)c2nn(CCC)c(=O)c3ccccc23)cc1	12972830	GWMITWWRZUEIBA-UHFFFAOYSA-N	420.513	3.153	50	40	HGGB	
O=C(COc1cccc2ccccc12)N/N=C1\C(=O)Nc2ccc(Br)cc21	15920251	FEEBDLOJDSKSCI-UHFFFAOYSA-N	424.254	3.454	50	40	HGGB	
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl	118913615	FCSHDIVRCWTZOX-CPPGHRDESA-N	410.913	3.142	50	40	HGGB	
C[C@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	118912398	YZPBDMRZRBJWSE-IMRDPUKRSA-N	406.611	3.383	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccc(F)cc1	408793651	GAHLJFJIYDLFMM-GUOCTKQSSA-N	423.444	3.045	50	40	HGGB	
COc1ccc(/C(C)=N\NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC	5047926	KQWCEYALDJGSKE-MTJSOVHGSA-N	409.402	3.156	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	6840328	OMCLFMWYMRIDOT-KEBDBYFISA-N	414.314	3.073	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1	1390365	OQUPXMMXORDSBV-ODCIPOBUSA-N	409.393	3.429	50	40	HGGB	
CCCCOC(=O)c1cc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)ccc1Cl	6051153	FKYBKAPINBXIBQ-WJDWOHSUSA-N	401.850	3.431	50	40	HGGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1	33787624	QYWSNSDWLLBHDG-YHYXMXQVSA-N	404.176	3.314	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1C	408748082	YCNNAFZOUVHWDT-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccc(Br)cc1	58913876	PCNQEVZFSBWKAF-NHDPSOOVSA-N	419.323	3.221	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1O	59444702	JCMLXCKEPZCTPZ-ZVHZXABRSA-N	419.437	3.069	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1	108037085	LKRLRKGGEQPGOI-FOKLQQMPSA-N	412.373	3.468	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)c2nnsc2NC(=O)Nc2ccccc2)cc1	1416989	ZBKFCPJJQSWWDY-UDWIEESQSA-N	409.475	3.012	50	40	HGGB	
O=C(NNC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc(F)cc1	12547542	QCNGOEKNEPTPAN-UHFFFAOYSA-N	404.401	3.127	50	40	HGGB	
COc1ccc(OC)c(NC(=S)NNC(=O)CSCc2ccccc2C)c1	6401626	FDWIXPPSXFMHKO-UHFFFAOYSA-N	405.545	3.263	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)[C@H](O)c1ccccc1	409357455	IIAACEUONTXKQI-KURUZVKSSA-N	405.410	3.358	50	40	HGGB	
CC1(CC(=O)N/N=C\c2cccc(I)c2)SCCS1	32116887	JYIDOTLOCLEMJC-DHDCSXOGSA-N	406.314	3.328	50	40	HGGB	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNc1nc(O)c3ccccc3n1)O2	1648629627	IMGSIURIHHXYOV-JOCHJYFZSA-N	408.458	3.193	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1	40080028	DMGKKTZTCWNNTH-OAHLLOKOSA-N	408.289	3.148	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)c(OC)c(OC)c1	818601	HCBTXWPMBYBYNG-OAHLLOKOSA-N	423.263	3.111	50	40	HGGB	
COc1ccc([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c2ccccc12	4038598	JKQGNOSEFIWBII-JTHBVZDNSA-N	423.476	3.120	50	40	HGGB	
CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCCBr)cc1	4066387	CDSQQASLSPBQJW-MRXNPFEDSA-N	411.296	3.432	50	40	HGGB	
COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1OC	5127563	ZEBJJSKRVXTODE-AFUMVMLFSA-N	415.449	3.322	50	40	HGGB	
O=C(N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1	5450585	DWFOADJKQXTACW-BSYVCWPDSA-N	400.394	3.276	50	40	HGGB	
Cc1ccc(N(C)C(=O)NNC(=O)C[C@H](C)n2nc(C)c(Br)c2C)cc1	28295846	HAHFRKKAFPBCNX-LBPRGKRZSA-N	422.327	3.399	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1	408708566	QNOOSVCDZMQGML-SRZZPIQSSA-N	403.280	3.087	50	40	HGGB	
Cc1ccccc1N1C(N)=C(C#N)[C@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O	4944743	LRWHUROXWCSMBX-VWLOTQADSA-N	410.477	3.430	50	40	HGGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)C(F)(F)F)c1	5381075	YWPIEIMPJKHUSE-KSEXSDGBSA-N	408.336	3.179	50	40	HGGB	
C[C@H](Cl)CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2	5524604	RFERUCMRPZZJKB-ZDUSSCGKSA-N	417.845	3.453	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(I)cc2)c1	6614652	ZKHBQNZJWBJHOE-VCHYOVAHSA-N	407.211	3.014	50	40	HGGB	
CC(C)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(O)c(C(C)C)c1	9050804	KOMLXQHPXDDBGU-UHFFFAOYSA-N	404.488	3.319	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1	103121144	MOMBKSTZPCSBQK-AFSDZQSXSA-N	423.494	3.019	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1OC	169880120	NLMQVWFECRXKDP-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1cccc(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccccc2)c1	408778244	RMERFGNYRNHIDZ-CJLVFECKSA-N	417.531	3.429	50	40	HGGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1	6454151	CMLBKAJHCWRPPL-MRXNPFEDSA-N	401.557	3.493	50	40	HGGB	
CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C	12137418	FGWLEBBXDACECA-FQEVSTJZSA-N	411.502	3.336	50	40	HGGB	
NNC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1	9097039	ZNCLZXZOZHNIRG-CJLVFECKSA-N	423.476	3.300	50	40	HGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1	936444	ZTPMVGLINDHSRC-NRHDHWSESA-N	423.421	3.411	50	40	HGGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)C	102785826	GSEMSMPNFRYMNN-UHFFFAOYSA-N	422.821	3.379	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3ccccc3)c2C)cc1	58914185	IIEVLUHKXIXTFG-QQXSKIMKSA-N	418.497	3.259	50	40	HGGB	
CCCOc1ccc([C@H]2[C@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20000623	VBIMHFQLMFGIGD-UGKGYDQZSA-N	417.513	3.229	50	40	HGGB	
COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)c1ccco1	5322193	NQXJJKNXUMMLQP-UHFFFAOYSA-N	403.232	3.208	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	6959279	XSSPZHYMSCYICS-CIAFOILYSA-N	401.806	3.423	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccccc1Cl	7387406	RWQXCBNPPXXYAR-UHFFFAOYSA-N	407.904	3.395	50	40	HGGB	
COc1ccccc1C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2)n1	11916337	DKFURUHPRUEQSV-UHFFFAOYSA-N	411.849	3.456	50	40	HGGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(OC)cc2)cc1	12275715	CUZYVXMUZUSRDG-GCJKJVERSA-N	408.479	3.347	50	40	HGGB	
CCS(=O)(=O)[C@@H](I)C(=O)c1ccc(Cl)cc1Cl	96517970	GXLFYIPLHFSZPY-SNVBAGLBSA-N	407.056	3.372	50	40	HGGB	
O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	250839566	DQQARWQWHGCCLZ-NCPBCQDQSA-N	419.300	3.320	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(=O)O	408962922	LEEFYKPZONQVAY-AUEPDCJTSA-N	410.348	3.331	50	40	HGGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)OCCO1	1096240	ZBLDFJOGGQESKS-AFUMVMLFSA-N	402.454	3.164	50	40	HGGB	
Cc1cc(C)c(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)c(=O)[nH]1	1680272	DSBAKCVZHCWMNE-WSDLNYQXSA-N	409.317	3.040	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1O	5921555	IGFQWCJGPHQLIE-QGMBQPNBSA-N	408.208	3.144	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cn3)c2C)cc1[N+](=O)[O-]	9554210	QSPDQUBGQDNPDH-LSHDLFTRSA-N	422.401	3.378	50	40	HGGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)c1	12276020	ZYUVYRJFCFUPAM-HTAPYJJXSA-N	408.479	3.347	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1	409185011	PHZUFDGPTUDGMC-PXLXIMEGSA-N	417.531	3.090	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccco1	3102530	CFSUGFYPHHYFSS-ZMOGYAJESA-N	407.426	3.378	50	40	HGGB	
COc1ccc(NC(=O)C/C(C)=N\NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	4402182	QMTVWZZYKRFJOM-MSXFZWOLSA-N	416.865	3.116	50	40	HGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3C(=O)O)cc2)c1	6034664	JRVOYYLISDISSG-UHFFFAOYSA-N	417.421	3.020	50	40	HGGB	
CC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)c1NNC(=O)c1ccoc1C	6667947	BOTPIJRYHUIRDX-UHFFFAOYSA-N	409.324	3.027	50	40	HGGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnn(-c2ccccc2)c1C(F)(F)F	12794618	KVFCOEAPQILOLB-UHFFFAOYSA-N	413.359	3.447	50	40	HGGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(S(N)(=O)=O)cc3)n2)c1	16960573	WCPKBTKMVRFZHH-SDNWHVSQSA-N	412.496	3.443	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2	101113308	VUBVNWRXPHTIHJ-YWCGQCRUSA-N	421.975	3.205	50	40	HGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1	408731652	OKMMSVDWOPLATN-XDHOZWIPSA-N	418.479	3.048	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@H](O)c1ccccc1	14134665	YXPGPMUJTYTUBD-KURUZVKSSA-N	405.410	3.358	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C)C3)[C@H]2C(=O)O	102207242	RGSUWFWNRXLWAW-XKLIJPMISA-N	416.543	3.327	50	40	HGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OC	408906232	BDRUIVZFCYKKRD-KOWBDXASSA-N	403.866	3.156	50	40	HGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C)cc3)CC2)cc1OC	409007417	WHXNUULUUOVLBG-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
CC(C)c1ccc(-c2csc(NC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1	575425433	DVXHMNXOASOHLQ-ZFWWWQNUSA-N	413.952	3.459	50	40	HGGB	
COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3	2502515	DKIYLBFCZITVMD-KRWDZBQOSA-N	401.216	3.405	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc2nccnc12	5072379	BVMJEAYIVMIDOW-CRXVIZHGSA-N	419.485	3.216	50	40	HGGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)cc2)c2ccccc21	5245068	LYCPHOLYPXAHAU-VXPUYCOJSA-N	402.454	3.036	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1Cl	7881777	IHDDHUHBOWKUQU-CYBMUJFWSA-N	406.269	3.116	50	40	HGGB	
O=C1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C(=O)N1Cc1ccccc1	101136884	MYIQOLIVIODDMM-RNJOBUHISA-N	401.098	3.109	50	40	HGGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)cc1	409027685	GFDPRDYFOSJGQD-HZHRSRAPSA-N	409.511	3.319	50	40	HGGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)C(C#N)=C(N)O2	409127286	CGWPJPUHVRJDFR-LJQANCHMSA-N	403.398	3.424	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	2274773	QTNVCPHGZRRULC-KRWDZBQOSA-N	402.834	3.084	50	40	HGGB	
Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	2352735	CIBCLCSMHMHVAN-NRFANRHFSA-N	415.449	3.354	50	40	HGGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1	2403656	XLJQDCHGTVOFCX-ZFVWIKOCSA-N	405.376	3.217	50	40	HGGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1	4723627	BGCJADWCKTUSOX-MHWRWJLKSA-N	405.454	3.460	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@H]2c2ccccc2)ccc1O	6180940	IJMAMDFSRGLGQZ-GWYVQQBTSA-N	404.422	3.432	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccc1Br	16102322	VNPDMPBPSSCVEY-YVNNLAQVSA-N	413.275	3.119	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1O	16683879	IJUBIQDPAOAKOO-LCYFTJDESA-N	411.483	3.376	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1	105975355	NQQYYZQMAOBKSB-GUDVDZBRSA-N	423.469	3.307	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2Cl)C(C)C)cc1	408759403	DLCUSPRYSRANAA-AGKWGAAGSA-N	407.923	3.102	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(Cl)c(C(F)(F)F)c1	408781717	FJBGZDQOSMYNBD-UHFFFAOYSA-N	411.833	3.171	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O	408963631	CXKWVFLUQRIRBQ-DJKKODMXSA-N	414.330	3.117	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CC1	408999180	SXIOIHWVQCRJIL-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	409009485	AJOSEUUOFSFNMA-ZVHZXABRSA-N	403.438	3.482	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4c[nH]c5ccccc45)c(=O)c23)C1	4464223	FMWUYRBOMKXHLP-HQDCFKMFSA-N	419.510	3.214	50	40	HGGB	
CCCOc1ccc([C@@H]2[C@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19851876	VBIMHFQLMFGIGD-SIKLNZKXSA-N	417.513	3.229	50	40	HGGB	
N#C/C(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1\NC(c2ccccc2)=CS1	25325968	BQRDJPDLXCYCHR-FLFQWRMESA-N	416.550	3.443	50	40	HGGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	100039629	LBPSOPUFTJZYRK-PTUUNUGASA-N	405.454	3.226	50	40	HGGB	
Cc1ccc(NC(=O)NNc2nc(=Nc3ccccc3)nc(N3CCCC3)[nH]2)cc1	408725569	MCVSZAKEWGXQGQ-UHFFFAOYSA-N	404.478	3.094	50	40	HGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccncc3)cc2)S(C)(=O)=O)cc1	409028997	WQYOJBVOTXUFGU-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC(N)=O)cc1	409232665	BAQSHHMQLCGAII-NVNXTCNLSA-N	414.259	3.438	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(Br)s1	2239732	QQNGSHRTJNCOQL-NSHDSACASA-N	403.685	3.374	50	40	HGGB	
CCOc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1	20060141	FWMRFLLVQLCLDG-UHFFFAOYSA-N	403.504	3.101	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1	28217724	ZVISBSFGKLDALL-KEBDBYFISA-N	423.263	3.004	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1c(C)nc2cc(C)ccn12	59435484	UDXRBARALIWDSI-KEBDBYFISA-N	401.264	3.486	50	40	HGGB	
CCOC(=O)c1[nH]ncc1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl	98056530	BSRGCKAKWSOLFK-VZUCSPMQSA-N	400.243	3.232	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	107973512	MDKUIMNFEMZUAP-HMAPJEAMSA-N	409.446	3.307	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)CCc1ccccc1)S(C)(=O)=O	408776786	RIYPEBKGHCPHMI-OQKWZONESA-N	401.532	3.140	50	40	HGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC	408864201	TXNBMOCADJVWLK-VXLYETTFSA-N	407.220	3.367	50	40	HGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccccc1-n1cccc1	408998951	QXZGAYXSWFQJHG-WOJGMQOQSA-N	405.195	3.439	50	40	HGGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21	2237887	KEPLVEMXCVFCBE-DQRAZIAOSA-N	406.445	3.428	50	40	HGGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)cc1	5504430	CVKBYUSXGILJTG-XTCLZLMSSA-N	412.449	3.114	50	40	HGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC	6790886	IKFFLXWECSQVRT-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	12374534	XJKGPGUHNSLARI-QHCPKHFHSA-N	418.403	3.376	50	40	HGGB	
CC(C)COC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccncc1	33928125	UVYDMKVWAKWEFT-YGEAHLNXSA-N	407.474	3.007	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1	225591817	PTWCJPFXFLLWTL-VQOQZMAISA-N	416.543	3.183	50	40	HGGB	
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1OCC	408605032	KJHPLYKQZPERDY-KRWDZBQOSA-N	414.487	3.042	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OS(=O)(=O)c1ccccc1	2078352	UQLSPHPMYIIASW-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1Cl	6441634	UOTILKUOVXEHBS-ZDUSSCGKSA-N	405.907	3.043	50	40	HGGB	
Cc1ccc2nc(COc3cccc(C(=O)NNC(=O)c4ccccc4F)c3)cn2c1	11611402	MHQHJYGQRLTDGT-UHFFFAOYSA-N	418.428	3.436	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	16348963	RTYKVQGYIAURFK-XQNSMLJCSA-N	407.495	3.341	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1	23358526	VQCMVZSAQCYVBS-PXLXIMEGSA-N	416.319	3.435	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccccc1F)C(=O)N/N=C\c1ccccc1F	38799041	DQLPMDPXSAKUBD-JUNJMIJGSA-N	418.469	3.075	50	40	HGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O	59371954	IQOOOOPCCQYNRP-CNHKJKLMSA-N	413.173	3.208	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)c2cc(Br)c(O)cc2O)c1	408710710	WLNKRPHBKJAUIF-DJKKODMXSA-N	409.236	3.032	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1cccs1	408906331	GIMZPZZJBULSMG-VCHYOVAHSA-N	420.343	3.361	50	40	HGGB	
O=C(O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	408962919	WBEZLUOEOIJKSV-ZVBGSRNCSA-N	406.354	3.144	50	40	HGGB	
CCCc1n[nH]c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2	5939411	CJILNAINDMSXPS-CYBMUJFWSA-N	405.252	3.057	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1Cl	6441640	KSINXTJVTCZNMG-CQSZACIVSA-N	419.934	3.433	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1Cl)c1ccc(COc2ccccc2)o1	13004923	OPCAVFKIYQUDIV-UHFFFAOYSA-N	424.837	3.274	50	40	HGGB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NNC(=O)CC(C)C)C2=O)cc1	112126548	XUPCEQSYWVLLGV-PGMHBOJBSA-N	406.486	3.387	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	409354997	BAUROGHYTSBDCI-RGVLZGJSSA-N	405.248	3.155	50	40	HGGB	
O=C(NNC(=O)c1cc(Br)ccc1F)c1cc(-c2ccccc2)n[nH]1	7948142	QCTSZJVKLWQPRK-UHFFFAOYSA-N	403.211	3.053	50	40	HGGB	
CC(C)C[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC(=O)N1	95468786	OYLHNCPAQNQSPP-HZPDHXFCSA-N	405.564	3.109	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccc(Br)c2)c1O	36245307	MEBAHGHHDHVUIC-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2)cc1	5205720	VSFSKUVKMPWIJL-XQNSMLJCSA-N	407.495	3.417	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(F)cccc1Cl	12857128	DFELJERLJOBQFE-MRXNPFEDSA-N	420.824	3.223	50	40	HGGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C	32423428	KJKSKVYRSWAIPA-UHFFFAOYSA-N	402.458	3.027	50	40	HGGB	
CCCCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3084191	UWHFTHQQAXIUHN-DEDYPNTBSA-N	400.391	3.375	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1	1783801	BJJQWBHDYKGPPS-GGZBWXKFSA-N	424.526	3.303	50	40	HGGB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)CSc1nc2ccccc2s1	14196521	OZUCODIZCNVRRF-MDZDMXLPSA-N	414.468	3.157	50	40	HGGB	
COc1cccc(C2=Nc3ccc(C)cc3[C@@H](c3ccccc3)N2CC(=O)NN)c1	97105692	XTPUATNERSVTOI-HSZRJFAPSA-N	400.482	3.477	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2cccnc12	993669	NODMZGQZWBEREY-KIQCMGJBSA-N	409.442	3.178	50	40	HGGB	
Cn1c(-c2ccccc2)cnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	5175042	RDCKEMQPDJFZKG-UHFFFAOYSA-N	400.891	3.294	50	40	HGGB	
C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	17089100	NRTICIPNUZGOTP-JTQLQIEISA-N	412.324	3.234	50	40	HGGB	
O=C(N/N=C/c1ccccc1Br)c1ccc(CN2CCOCC2)cc1	19593993	GMJFFLIOTOKVGL-FYJGNVAPSA-N	402.292	3.045	50	40	HGGB	
CN1/C(=C(\C#N)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)Nc2ccccc21	100462090	MJUCUIDOESCXSB-RELWKKBWSA-N	422.510	3.341	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1	104833444	BYWVEJXLPJZTRG-WWNPGLIZSA-N	415.884	3.054	50	40	HGGB	
NNC(=O)c1ccc2[nH]c(-c3cc(I)ccc3Cl)nc2c1	226236339	PPXKMFHOBPEVKY-UHFFFAOYSA-N	412.618	3.091	50	40	HGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1)C(=O)O	408814737	HNUDCPITGNRHSW-ORPVNXHJSA-N	406.236	3.457	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(N)=O	408861534	SGSVBDITMREIHH-AUWJEWJLSA-N	401.216	3.119	50	40	HGGB	
CCn1c(NNC(=O)COc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O	29860871	JSISUCUFLXBHRM-UHFFFAOYSA-N	407.257	3.245	50	40	HGGB	
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1cccc(Cl)c1	2651388	SEVYZHSTHSSDRD-UHFFFAOYSA-N	408.841	3.411	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)cc1C	58911736	HDNPOSDLZWKCKN-CVKSISIWSA-N	402.498	3.477	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccc(I)c2)c1OC	59502253	PIJFHYBXTSRPAJ-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CCOC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1	20760729	OVJJYFVHYQPMJY-RGVLZGJSSA-N	405.248	3.155	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(C)cc1	44395984	GONUOSXFLZRPSN-WSDLNYQXSA-N	400.276	3.332	50	40	HGGB	
COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc(Cl)cc1	100277931	ZMBDFUUJCLZKLR-YDZHTSKRSA-N	401.850	3.190	50	40	HGGB	
N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	1423064	KOJXDNXALAQDAN-HSZRJFAPSA-N	400.413	3.237	50	40	HGGB	
COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)c1	5149538	ALFXUGUFKWARSD-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	14199340	BFMPJOOORYAGAR-LBPRGKRZSA-N	401.513	3.425	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	6996811	UOKNMNRWJOKNKD-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(OC)c1OC	4596722	SYTCILIRIPCFNA-DHDCSXOGSA-N	401.426	3.416	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	1262714	JNPGWXMUAIBLTD-LJQANCHMSA-N	419.462	3.213	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O	4544943	AKNVWNUHZKSLBL-ATNYCFDYSA-N	404.378	3.126	50	40	HGGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C)cc3)CC2)c1	59953117	LFHMFRXMLDNIJO-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36026016	JCRKBBLFLALVAV-KEBDBYFISA-N	404.810	3.131	50	40	HGGB	
Cn1cnnc1SCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	2355910	LPUQKDYLFNEAQV-UFFVCSGVSA-N	403.552	3.358	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1	408997973	PMKOEBMBWQRSNJ-LPYMAVHISA-N	404.382	3.317	50	40	HGGB	
COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1	709760	JNLNAOLYDDOFBR-SFHVURJKSA-N	406.394	3.322	50	40	HGGB	aggregator
COC(=O)[C@@H]1C(=O)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1	12250341	HQINQWIYKLLEAT-UXHICEINSA-N	420.490	3.349	50	40	HGGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21	8569386	OOPIUDKILWKRIW-SFHVURJKSA-N	402.410	3.422	50	40	HGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)c1	409007460	WNMNFBWJKZMRNO-KOEQRZSOSA-N	421.497	3.263	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408944389	VJITUBJEBBMJQH-KIHMUJGBSA-N	419.323	3.221	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1O	408969617	QUDQNMDGNKINQW-GRSHGNNSSA-N	424.238	3.468	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccco2)c2ccccc2)cc1	408977046	CLVVQFHVQVGYJJ-QCBCRBAMSA-N	411.483	3.148	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	16291539	ADZYCINMOVERAW-LFVJCYFKSA-N	421.522	3.336	50	40	HGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CSc1nc2ccccc2o1	6130488	DEIKARBIDYULNI-SRZZPIQSSA-N	407.455	3.270	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCc1ccccc1	9311326	KSYYZIDDRDTTPZ-OVCLIPMQSA-N	415.243	3.136	50	40	HGGB	
CCOC(=O)Nc1cccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1	10617458	IFGAKXGNKDOPGR-UHFFFAOYSA-N	406.398	3.254	50	40	HGGB	
O=C(CC(=O)N/N=C/c1c(F)cccc1Cl)N/N=C/c1c(F)cccc1Cl	17089446	ACIHFMJSZMSBIY-NZRSMXNRSA-N	413.211	3.262	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccccc2C)cc1	20059077	UCXHILSWEUOBNW-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)o2)cc1	33634067	SZKHPDZQQFUBNO-YDZHTSKRSA-N	405.410	3.456	50	40	HGGB	
C/C(NNC(=O)CC(C)C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	112289596	GXTSMCJSCASRLJ-HKWRFOASSA-N	421.457	3.287	50	40	HGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2C)c1	408937438	JIFWMHRRPZDOBF-YDZHTSKRSA-N	419.441	3.400	50	40	HGGB	
Cc1ccc(-c2[nH]nc3c2[C@]2(C(=O)Nc4ccc(Cl)cc42)C(C#N)=C(N)O3)cc1	664649	ONIIOLORWVTMFT-OAQYLSRUSA-N	403.829	3.363	50	40	HGGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1Cc1ccccc1	100548209	MYIQOLIVIODDMM-WUHRBBMRSA-N	401.098	3.109	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2237346	DNDIKRURYGASHQ-HNNXBMFYSA-N	406.269	3.328	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1OC	408810774	JMVSPNAHESHZFE-LBHDEGOLSA-N	400.475	3.239	50	40	HGGB	
CCOC(=O)[C@@H](N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	38204506	AMSRFZABDYXPBE-KJCUYJGMSA-N	404.875	3.373	50	40	HGGB	
O=S1(=O)C[C@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@@H](Cl)C1	575425812	XHNGUIBOBCSFLA-JQWIXIFHSA-N	422.384	3.154	50	40	HGGB	
CC(C)c1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(O)=NC2=S)cc1	2323580	JVACBCFZKCDBLH-SFQUDFHCSA-N	408.483	3.217	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1C	96592459	MPPJXHVQNKXHPU-AFUMVMLFSA-N	402.454	3.480	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc2cc3ccccc3nc2s1	1399207	RQTZDGLRPOWFAU-UHFFFAOYSA-N	401.444	3.212	50	40	HGGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2212747	TXQPQHXSJQYZDF-SJCJKPOMSA-N	415.852	3.346	50	40	HGGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)c1ccc2ccccc2n1	40142822	MPAFCSXLDOCHEV-UHFFFAOYSA-N	417.444	3.180	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)N2CCCC2)c2ccccc12)C(=O)NCc1ccccc1	409163363	QITOGGGGRUCSEQ-XSFVSMFZSA-N	412.493	3.487	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)c1	9192137	ALQKRFZGQKRJGP-QGZVFWFLSA-N	420.425	3.026	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)C(N)=S	9235354	QZBNJKUNTZGUMH-NTUHNPAUSA-N	404.451	3.202	50	40	HGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc2c(c1)OCO2	13022264	DWZAIUJQOFSHTH-CSKARUKUSA-N	424.844	3.037	50	40	HGGB	
CCOC(=O)[C@H](C)Oc1ccccc1[C@H]1C(C#N)=C(N)NC2=C1C(=O)CC(C)(C)C2	16682179	OPIZAQPLTQFAFC-DJJJIMSYSA-N	409.486	3.041	50	40	HGGB	
CC(C)(C)OC(=O)NNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O	72296373	AUEHNCFUJIOGHL-NSHDSACASA-N	405.398	3.064	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1	408592498	YRBYHRVRLXZMDB-WYMPLXKRSA-N	419.437	3.373	50	40	HGGB	
Cc1ccc(NC(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1	408724730	HBTHFYJNESVPDH-UHFFFAOYSA-N	410.526	3.309	50	40	HGGB	
CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1	409004198	BBUPMLKJXDPFTL-LFVJCYFKSA-N	409.486	3.096	50	40	HGGB	
Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)s1	1254146	RIRUVHNIZZWYKV-UFFVCSGVSA-N	401.879	3.046	50	40	HGGB	
CCCNC(=O)N(NC(=O)c1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1	3768068	HPUCSRHPTFKMBP-UHFFFAOYSA-N	410.883	3.244	50	40	HGGB	
O=C1C(CBr)(CBr)CC[C@]12CN=C(Br)C2	4642757	ZNRANVIWZUFMOM-VIFPVBQESA-N	401.924	3.309	50	40	HGGB	
N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2ccccc2F)c2ccccc21	12416259	QTSIDLLYHVRKCL-ZZEZOPTASA-N	414.396	3.160	50	40	HGGB	
CN1C(=C(C#N)C(=O)CSc2nncn2-c2ccccc2)N(C)c2ccccc21	22883121	MXGNRZDUTVSSKC-UHFFFAOYSA-N	402.483	3.250	50	40	HGGB	
CCOC(=O)[C@H](N/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	38204505	AMSRFZABDYXPBE-VJSYINPZSA-N	404.875	3.373	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OC	408748970	JQRYIKATXHQYRO-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1O[C@@H](C)C(=O)O	409013781	VJRZLOGRCDDBHD-PSHHWHLWSA-N	422.437	3.229	50	40	HGGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC(N)=O)cc2Br)cc1	409234480	KVIIDUUNFSAGCI-NVNXTCNLSA-N	414.259	3.438	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1F)C(C#N)=C(N)O2	2256819	BBTQRFIBHGBXMT-HXUWFJFHSA-N	410.493	3.246	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	3072507	VJPJHYQQPLHTEA-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1OC	10118457	NJLGNHRJRQQUHJ-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408833891	WLFLJQVGNRLDRN-ZROIWOOFSA-N	421.906	3.091	50	40	HGGB	
COc1ccc(NCC(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1	2630313	JHQHGRRRSWDLDT-WYMPLXKRSA-N	411.893	3.464	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	4723475	FCQFZPMLMLUFPI-UYRXBGFRSA-N	417.465	3.376	50	40	HGGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1O	831205	AGCLJBLHQPFQTR-QGMBQPNBSA-N	424.276	3.446	50	40	HGGB	
Cc1cc(-n2c(C)cc(C(=O)CSC3=C(C#N)C(C)(C)[C@H](C#N)C(=O)N3)c2C)no1	8988091	UGMDZFDSPFIJIO-OAHLLOKOSA-N	423.498	3.337	50	40	HGGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	12506921	LSRXVLHOWHVFNT-UHFFFAOYSA-N	421.457	3.343	50	40	HGGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(I)o2)c1C	12844022	AKPFQZSEXQUMQK-QGMBQPNBSA-N	412.227	3.339	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O	13880652	VJPJHYQQPLHTEA-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
COc1cc(C(=O)NNC(=O)/C=C/c2ccc(Br)o2)ccc1OC(C)C	15527219	UUDWOGNEJXQUAQ-RMKNXTFCSA-N	423.263	3.312	50	40	HGGB	
Cc1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1	102629598	VVKKUJVHRSLCGV-LPWJVIDDSA-N	401.098	3.421	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)cc1	409000676	ZMERLPCWQQPVAX-LFIBNONCSA-N	415.449	3.422	50	40	HGGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2212745	TXQPQHXSJQYZDF-YVEFUNNKSA-N	415.852	3.346	50	40	HGGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1	4178929	FVECIRFAVOVEGU-MUPYBJATSA-N	424.501	3.429	50	40	HGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1	4599705	RLNGTIFJORPFER-UHFFFAOYSA-N	409.486	3.307	50	40	HGGB	
ClCCOC[C@H]1CO[C@@H]([C@@H]2CC[C@H](Br)[C@H](Br)C2)O1	5376602	OAQDQNCZAWNUEV-YBXAARCKSA-N	406.542	3.310	50	40	HGGB	
COc1ccc(C(=O)NN(C)c2nc(-c3ccccc3)nnc2C(F)(F)F)cc1	6178388	GVLDADZFFXUKIO-UHFFFAOYSA-N	403.364	3.347	50	40	HGGB	
O=C(CSc1nc2cc(Cl)ccc2s1)NNC(=O)c1ccc([N+](=O)[O-])cc1	12691554	QUURMPGEJTXMBY-UHFFFAOYSA-N	422.875	3.411	50	40	HGGB	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	12867150	SZYMBSCVSLPTLU-UHFFFAOYSA-N	401.513	3.359	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	59960227	ZJKHBFBXHJENET-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)c1ccc(Br)cc1	100949729	FGUSBEKCPCXNIN-HYARGMPZSA-N	402.292	3.304	50	40	HGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c1C#N	408735209	MCMJGBULHFFLMM-GZIVZEMBSA-N	407.257	3.244	50	40	HGGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1	575425814	XHNGUIBOBCSFLA-ZYHUDNBSSA-N	422.384	3.154	50	40	HGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC	1452649	XNLOCCZXYQOLRO-SFQUDFHCSA-N	418.453	3.047	50	40	HGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1	2245468	BVMWRCXWSHOJMV-HXUWFJFHSA-N	419.437	3.033	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2250980	TZCIBOJMGJLYHY-LJQANCHMSA-N	404.857	3.472	50	40	HGGB	
C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1cccc(O)c1)c1cccc(O)c1	4646865	CCPGDHXRYSDEHI-DFEHQXHXSA-N	410.474	3.039	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccc2c(c1)OCO2	9110243	HFHOYWWHGURJAL-MRXNPFEDSA-N	422.462	3.231	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409178589	GZAOJMWCNYBPSY-SRZZPIQSSA-N	409.354	3.326	50	40	HGGB	
C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc2c(c1)OCO2	17091296	COMUUWSAUCMMHT-QOSBVPTNSA-N	418.085	3.152	50	40	HGGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3C(F)(F)F)CC2)cc1	19682581	VNBCECZQRRMMIU-VULFUBBASA-N	418.463	3.282	50	40	HGGB	
C[C@]1(CI)[C@H]2CC[C@]1(CI)C(=O)C2	4228140	CYRISYJUPUQPCV-HGNGGELXSA-N	404.029	3.232	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4cccs4)c(=O)c23)C1	1783831	QHQOATNTQRQBDW-KUMIPUGMSA-N	400.529	3.356	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3O)c2C)cc1	409390139	BTBSBOYZJWUVCA-ZMOGYAJESA-N	421.453	3.359	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1O	13839120	UJEHEXLYHOXYDD-VXLYETTFSA-N	422.235	3.154	50	40	HGGB	
CCc1ccc(/C=N/NC(=O)c2cn3cc(I)ccc3n2)cc1	8733641	VIOURJZJWOOTCF-DJKKODMXSA-N	418.238	3.265	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(CC(=O)O)cc1	408692215	HGZZCBBCBJMYDK-LGJNPRDNSA-N	422.460	3.423	50	40	HGGB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2[nH]1	7503269	MWWRNPUOCMAKOC-RPHSKFLZSA-N	401.879	3.145	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)NCc1ccccc1	409117935	MDOKLVFTZAPHJX-OVVQPSECSA-N	415.493	3.465	50	40	HGGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	409219450	MQSRXXSLJKBIEK-JAIQZWGSSA-N	424.325	3.079	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1	409206776	PRPMVGLQXOAAMH-SRKIZSPNSA-N	407.470	3.083	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1O	30900883	JIHQBWXBMXNGDO-UKWGHVSLSA-N	407.264	3.309	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Br)c1O	2675494	HYEBDMMTOLXQNV-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
O=C(N/N=C/c1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3209037	MTXCFRWQCBPOBQ-UDWIEESQSA-N	403.847	3.498	50	40	HGGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	6355265	VNOFLEWBGLGUSQ-KRWDZBQOSA-N	411.483	3.067	50	40	HGGB	
CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N	9110792	RIWKHGAOGQCSMW-CYBMUJFWSA-N	414.512	3.252	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccccc1Cl	58925073	SFPSNGQMFCRJIM-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OC	408533396	SAQPFQKBWGIPQU-UFFVCSGVSA-N	406.280	3.337	50	40	HGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1OC	408827555	KJUXRJCLLLOVBE-SRZZPIQSSA-N	418.471	3.233	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(OC)cc3O)c2C)c1	409392560	QSBQAJDCNKQJJK-ZMOGYAJESA-N	421.453	3.359	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1	2394725	DUCVMMKHELQRGA-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O	2418841	DIHPHQZMOSUXAN-NTCAYCPXSA-N	405.410	3.274	50	40	HGGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(N)=O)=C(C)N2)cc1	20025869	BVGGCWKOKVIYCX-FQEVSTJZSA-N	422.510	3.395	50	40	HGGB	
C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4cc(Br)c[nH]4)cc3c2C1	24122082	VIYJHIROEWRRMJ-SNVBAGLBSA-N	415.291	3.458	50	40	HGGB	
O=C(CC(=O)N/N=C\c1ccccc1OCc1ccccc1)NCc1ccccc1	59444817	DVTUVKQOCKGZMR-ONUIUJJFSA-N	401.466	3.422	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C	218425792	DPUZVWRKUNUJFU-ZHZULCJRSA-N	419.481	3.087	50	40	HGGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-]	408763204	RQKAEWDIYOLRFL-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408944344	VECIHOGMCLMQOK-IVWKQIGUSA-N	408.424	3.478	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc(C)c(C)c2C(=O)OC)c1C	409195561	QYNRLWYSHUHYNL-LICLKQGHSA-N	415.515	3.229	50	40	HGGB	
CC(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6263210	IZDKESRCYUHDLR-UHFFFAOYSA-N	405.907	3.178	50	40	HGGB	
O=C(Nc1ccc(-n2ccnc2[P@@](=O)(O)c2ccccc2)cc1)c1ccccc1F	53386636	UCWXBGGFSLNIHD-UHFFFAOYSA-N	421.368	3.485	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNC2CCCCC2)c1C	409380874	PSCWPUZFBWJRJT-AFUMVMLFSA-N	410.518	3.253	50	40	HGGB	
O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cc(Cl)ccc1Cl	15986320	JJLLDNRODHLSOU-UHFFFAOYSA-N	414.676	3.228	50	40	HGGB	
COc1ccc(NC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408859377	WMKZULTUZDKANW-ODLFYWEKSA-N	423.267	3.043	50	40	HGGB	
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NNC(=O)c1cccs1	7736125	KMRWZWGOCKQUPQ-UHFFFAOYSA-N	406.891	3.218	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)c1	20208393	XPHQNWSJBCMYCM-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1	13545383	KKZCNTZYNLYBEE-UHFFFAOYSA-N	411.434	3.116	50	40	HGGB	
O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NNC(=O)c1ccc(Cl)cc1	8074212	JOQJZVDQMNJXCU-UHFFFAOYSA-N	405.241	3.437	50	40	HGGB	
COc1cc(/C=N\NC(N)=O)cc(Br)c1OCCOc1cccc(C)c1	30734535	OXVXUOXETMWBGD-NHDPSOOVSA-N	422.279	3.226	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1	1453211	DGIJRUBUKCMFBX-FHWLQOOXSA-N	405.479	3.086	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c(OC)c1OC	9187711	LEBAKIIKYJGYRE-MRXNPFEDSA-N	422.416	3.460	50	40	HGGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	15133837	LBPSOPUFTJZYRK-YQDUWVMYSA-N	405.454	3.226	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1	4453446	TYZOVZFAIFWAMM-IEBWSBKVSA-N	419.460	3.486	50	40	HGGB	
COc1c(O)ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-]	4724142	GYEWHYYNXSGTST-SRZZPIQSSA-N	401.419	3.136	50	40	HGGB	
CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926819	CDEIMGJAGDHPRZ-XMMPIXPASA-N	413.433	3.312	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1cccc(OC)c1	13510698	CNEVBAAEQQBLEL-QUWSGOTNSA-N	411.458	3.007	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)c1	17731076	VVKKUJVHRSLCGV-ZDEQEGDKSA-N	401.098	3.421	50	40	HGGB	
C#CCN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	18142401	LCLQBIPYLKZKLH-FTRAKHFHSA-N	419.484	3.493	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1	34854501	CTTIIHPZTABTMB-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
CNC(=O)[C@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	98046355	XVSGAGBRNAYWOJ-PFZYVWIYSA-N	417.967	3.418	50	40	HGGB	
CNC(=O)[C@@]12CC[C@](C(Br)Br)([C@H]1Br)C2(C)C	100868573	XVSGAGBRNAYWOJ-DIMCTHFVSA-N	417.967	3.418	50	40	HGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I	409189847	UFKMUBCWSTXEDT-UVTDQMKNSA-N	420.250	3.269	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1	2287620	XMSCDMPTFWKMPA-LSHDLFTRSA-N	413.275	3.119	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(NC(=O)c2ccco2)c1	8160436	GAMYRQAXQZGMBJ-UHFFFAOYSA-N	413.817	3.269	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C)o1	21194256	SXDRGVOZLLGVKV-UHFFFAOYSA-N	415.453	3.278	50	40	HGGB	
O=C(NNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1cccnc1	29192876	MQTVIQUVSFFEIB-UHFFFAOYSA-N	407.817	3.256	50	40	HGGB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C	101720415	NGJGEZOOIPNHAW-GZQBQRLNSA-N	405.564	3.337	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C	104828884	RTCNVHQGUSKSJY-KTKRTIGZSA-N	402.526	3.141	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1	408814835	HVPGIERZHLWUKI-AUWJEWJLSA-N	417.259	3.395	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1O	408849350	XYMALYCWHSCXLX-BUVRLJJBSA-N	403.438	3.346	50	40	HGGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-]	409240875	QMCQPRSAECPOLP-HMAPJEAMSA-N	412.446	3.123	50	40	HGGB	
CC(=O)C1=C(C)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@@H]1c1ccc(O)cc1	6348418	BIDMYDNKIDCQDJ-NRFANRHFSA-N	411.527	3.423	50	40	HGGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1	672495	JZDUXOQRHNZBIN-UHFFFAOYSA-N	404.264	3.263	50	40	HGGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(SC)cc3)CC2)c1	409006917	SNJSWNFJWPKZBG-HZHRSRAPSA-N	411.527	3.420	50	40	HGGB	
COc1cc(/C=C(\C#N)C(N)=S)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	33497873	CBJKMVVUEZFSCK-IZZDOVSWSA-N	400.372	3.497	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2cccc(Br)c2)cc(OC)c1OC	849654	DXANPZHSEHEUOM-UFFVCSGVSA-N	422.279	3.037	50	40	HGGB	
Cc1cc(I)ccc1N[C@H](C)C(=O)N/N=C/c1ccccc1O	2748682	YWKJQQUKRCXENO-AINDZBIGSA-N	423.254	3.256	50	40	HGGB	
O=C(Cn1nc(O)c2ccccc2c1=O)NNc1c(Cl)cc(Cl)cc1Cl	3287842	QJAQKXPMWIEEQN-UHFFFAOYSA-N	413.648	3.206	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	5488745	JNVTYUPAKPLUSW-UGKGYDQZSA-N	417.513	3.228	50	40	HGGB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	7928174	CYUQIXIDHJHHJD-KRWDZBQOSA-N	413.905	3.279	50	40	HGGB	
Cc1ccccc1SCC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	9442378	POWYOLIZRZRDRY-UHFFFAOYSA-N	422.432	3.303	50	40	HGGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1	30750314	FJXCTPGMMZNEEL-MTJSOVHGSA-N	424.486	3.424	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1ccc([N+](=O)[O-])cc1	59459135	HFVDNSNCRZHIJI-AWQFTUOYSA-N	415.203	3.375	50	40	HGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(Cl)cc1	83330103	MRADZJIRRNMSMU-CAOOACKPSA-N	400.603	3.414	50	40	HGGB	
Cc1ccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1	408708066	NSTDHPONNLEBHX-SRZZPIQSSA-N	415.291	3.230	50	40	HGGB	
CC1(C)[C@]2(C(N)=O)CC[C@@]1(C(Br)Br)[C@@H]2Br	2243742	WRGBBEYNVBRDQZ-URUOUCFMSA-N	403.940	3.158	50	40	HGGB	
CC(C)(C)OC(=O)NNC(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1	10889834	AQEIMZSGQZJWNZ-UHFFFAOYSA-N	403.439	3.304	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1	408785580	ZXDFBABGAXPQQL-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(C)c1C	408707779	LXLJNBDAYLEHES-SSDVNMTOSA-N	417.307	3.396	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c(O)c1	1055556	SSEZRFYDGVTHOK-BUVRLJJBSA-N	413.437	3.412	50	40	HGGB	
COc1ccc(NC(=O)[C@@H]2C(=S)NC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1	2627786	YIPBQLCCGTZQDW-IAGOWNOFSA-N	412.902	3.312	50	40	HGGB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1	4502857	LDDDMQZYLFHPFQ-KRWDZBQOSA-N	414.487	3.040	50	40	HGGB	
O=C(CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1	4523995	FSOMDXPSMQZCAP-UHFFFAOYSA-N	415.493	3.063	50	40	HGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	4694865	UYJJNGDNWWIZOH-KGENOOAVSA-N	413.524	3.089	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1)NCc1ccccc1	58882729	JOCSVMYPDMMLNS-ONUIUJJFSA-N	401.466	3.075	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	101052291	ILIHAQRYFFVASO-LQSBQDLSSA-N	413.109	3.277	50	40	HGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)ncc2cc(OC)c(OC)cc12	891996	FLDMQVDAIFZDIP-INIZCTEOSA-N	415.833	3.160	50	40	HGGB	
C[C@H](Oc1cccc2ccccc12)C(=O)NNC(=O)c1cc2ccccc2oc1=O	649794	DAFKMDYYQHYHNH-AWEZNQCLSA-N	402.406	3.175	50	40	HGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)cc1	59498807	YXVMXNBDQFYNJL-FYJGNVAPSA-N	416.551	3.062	50	40	HGGB	
Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)s1	1242918	XSDSYLFMRGEOEU-UFFVCSGVSA-N	401.879	3.046	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1O)[C@@H]1COc2ccccc2O1	36093520	UJXWXHAIKQQBRX-RJZHOQSWSA-N	411.639	3.098	50	40	HGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)COc1ccccc1C	408958374	YENUXWXHOLKWMG-JXMROGBWSA-N	416.293	3.300	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C)C3)[C@@H]2C(=O)O	225588307	RGSUWFWNRXLWAW-NTAIPZFWSA-N	416.543	3.327	50	40	HGGB	
COc1ccc(OC)c(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1	6016628	ZEKMXROGPLERSN-JXMROGBWSA-N	405.410	3.102	50	40	HGGB	
CCN(CC)C[C@@H](C(=O)Nc1c(C)cccc1C)/C(C)=N/NC(=O)c1ccncc1	5807644	BSZZXVQQFQKMQO-AHDHHBBCSA-N	409.534	3.401	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@H]1c1cccs1	169293729	WZTPXPWEUVKTTF-JRFVFWCSSA-N	423.501	3.208	50	40	HGGB	
O=C(O)CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	8781136	LKKYXNCBWCASDC-RGVLZGJSSA-N	418.247	3.016	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(OC)c2)cc1	23217789	YZCICBOOTWYTIC-SFQUDFHCSA-N	405.410	3.320	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	59246905	XQQHCWIGFBLLDS-PCLIKHOPSA-N	403.482	3.201	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(Cl)cc1	408613342	ZEDFDIBOUVRAOE-WYMPLXKRSA-N	417.893	3.150	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408709172	YIOLBWCQWSKUJU-CIAFOILYSA-N	403.280	3.169	50	40	HGGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccco3)c3ccccc32)cc1	5307138	INASUCXLAFYAEC-VZCXRCSSSA-N	410.433	3.329	50	40	HGGB	
CCOc1cc2c(cc1/C=N\NC(=O)c1cc(Br)ccc1OC)OCO2	409094553	DRDCTWXDNUZOPJ-UKWGHVSLSA-N	421.247	3.349	50	40	HGGB	
O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccc2c(c1)OCO2	704845	KDVVKLOFPJMHBO-IFRROFPPSA-N	410.655	3.393	50	40	HGGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nnc(N2CCOCC2)n1-c1ccccc1	7168283	ADGMMXHQSPQHHV-GHRIWEEISA-N	402.414	3.076	50	40	HGGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	58883095	IAAVCOITNAZMCK-IWIPYMOSSA-N	409.486	3.287	50	40	HGGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-]	100473493	LMFWVQXUEZVCPL-ATJXCDBQSA-N	400.394	3.276	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC	106414332	PATUWCQAWBACFX-ZVHZXABRSA-N	403.438	3.358	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C)c(Br)c1	408602054	ABGWEUMJGNAGLM-CQSZACIVSA-N	419.304	3.315	50	40	HGGB	
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=C3SC(C#N)=C(N)N32)cc1Cl	408603265	FITLXGKWZOVNKY-OAHLLOKOSA-N	404.879	3.297	50	40	HGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1	409352003	XSKHFHBUPDREGV-FNORWQNLSA-N	417.237	3.135	50	40	HGGB	
O=C(NNC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1	1103294	DZSZONHHXNAPTK-UHFFFAOYSA-N	400.603	3.019	50	40	HGGB	
COc1ccc(NC(=O)[C@H]2C(=S)NC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)cc1	2627785	YIPBQLCCGTZQDW-IRXDYDNUSA-N	412.902	3.312	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(F)cc1	20209196	UMZYILPBKAVREL-PXLXIMEGSA-N	405.495	3.256	50	40	HGGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	408717988	TXODNGHUTGOJIE-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
COc1ccc(CC(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	409356554	HUKIIHDPJGPPMJ-VQHVLOKHSA-N	416.293	3.164	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OC	408968787	ZCJVUHDMZNXCSV-NKVSQWTQSA-N	406.211	3.241	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	408991412	NXYBCMOLYVRPKZ-GXDHUFHOSA-N	422.426	3.192	50	40	HGGB	
CNC(=O)N(C1=NC[C@H](CI)S1)c1ccc(F)cc1F	12416924	PRCNUKHIXVMKJX-QMMMGPOBSA-N	411.215	3.017	50	40	HGGB	
O=C(N/N=C/c1ccc(I)o1)c1cccc(Br)c1	3141266	VHBAZLFBFSHWJJ-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
Cc1cc(OCCCC(=O)NNC(=O)Cn2cnc3ccccc32)ccc1Cl	3333683	JBYLISFLCYYZBK-UHFFFAOYSA-N	400.866	3.005	50	40	HGGB	
CS(=O)(=O)Nc1ccccc1SSc1ccccc1NS(C)(=O)=O	5260085	GNURXZWCEUSMAN-UHFFFAOYSA-N	404.560	3.229	50	40	HGGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccccc1Br	12946829	KXYLNKQSYWLHBE-UHFFFAOYSA-N	420.288	3.478	50	40	HGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1c(F)cccc1Cl	19861384	JSHJJMPFSDVDRV-WYMPLXKRSA-N	423.319	3.400	50	40	HGGB	
O=C(CCSCc1cn2ccccc2n1)NNC(=O)C12CC3CC(CC(C3)C1)C2	24832201	VZCAKSDVCLPYLO-UHFFFAOYSA-N	412.559	3.321	50	40	HGGB	
CCSc1nc2sc3c(c2c(=O)n1C[C@@H](O)CBr)CCCC3	45951912	HWVVTSBNMBHRGK-VIFPVBQESA-N	403.367	3.205	50	40	HGGB	
Cc1ccn2c(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)c(C)nc2c1	59516181	HPTFPOQHWSLLEW-DNTJNYDQSA-N	415.247	3.206	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1	408879285	DSRCIMQBXXXSGM-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cccc(Cl)c1Cl	408923046	DVYTVOXQVHZSIX-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
C/C(=N\NC(=O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1	5159704	OCVVZTYNKULKEE-KGENOOAVSA-N	402.292	3.440	50	40	HGGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	40137441	VJZNZYUWXSTQCM-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1nc2ccccc2[nH]1	408602514	CCNZIANHUHOTOK-XYSGSMRZSA-N	402.454	3.301	50	40	HGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1O	408965463	HNYQQKGHFBJONI-ZVBGSRNCSA-N	406.211	3.328	50	40	HGGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)C1	575425811	XHNGUIBOBCSFLA-CMPLNLGQSA-N	422.384	3.154	50	40	HGGB	
COc1ccc(O)c(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	704690	GCCSDDJFWCTMED-FBCYGCLPSA-N	414.201	3.145	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1	3102715	BKHBJBJFAXCZKV-PFRKPPGBSA-N	422.412	3.237	50	40	HGGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2ccc3c(C)cc(=O)oc3c2)cc1	50124346	JUAFEQGHACJYON-AWEZNQCLSA-N	411.483	3.195	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	58914394	ARFCHYAYFVNMRP-CFRMEGHHSA-N	411.845	3.375	50	40	HGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1	59516285	KNDYMLVOBAMLEW-DJKKODMXSA-N	410.655	3.200	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(C)cc1	408781225	BMCWHXBNAAHYPF-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(I)o1	409364784	PGUDMCFTVFKUQX-REZTVBANSA-N	403.607	3.100	50	40	HGGB	
COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1	709761	JNLNAOLYDDOFBR-GOSISDBHSA-N	406.394	3.322	50	40	HGGB	aggregator
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2CC)c(OC)c1	1917813	YJFVYWKBGAVQSP-CPNJWEJPSA-N	420.465	3.451	50	40	HGGB	
COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccco3)cc2)cc(OC)c1OC	2020939	CAWXDLJDYWSUQV-YDZHTSKRSA-N	423.425	3.322	50	40	HGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)c1	5408864	NHWQNHBDNVNHMX-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C	12137362	OAASOBYRBDNTCV-FQEVSTJZSA-N	411.502	3.336	50	40	HGGB	
CCOC(=O)[C@@H](C)Oc1ccccc1[C@@H]1C(C#N)=C(N)NC2=C1C(=O)CC(C)(C)C2	16682176	OPIZAQPLTQFAFC-BFUOFWGJSA-N	409.486	3.041	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(Cl)cc1	20493227	WUUHZAVZLBNQHM-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
COC(=O)c1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1	30902123	ISORZEXHCJOMBT-FBHDLOMBSA-N	419.275	3.382	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)OC(C)C	408601463	JZSBVIBDIXIUDL-JJFYIABZSA-N	404.850	3.443	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	408727052	PJUKACPIGRWHSD-CIAFOILYSA-N	424.369	3.464	50	40	HGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(Cl)cc1Cl	408730381	FXIIDFIFCZVUHW-DNTJNYDQSA-N	409.664	3.451	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)c1	409366592	WTSXDUIPNXBTCN-ZVHZXABRSA-N	420.421	3.197	50	40	HGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O	20212801	QBAVRUOCAZNKSK-SSDVNMTOSA-N	421.950	3.490	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCc1ccc(C(=O)O)cc1	59147606	LSHRSTUIVJVSDF-ZMOGYAJESA-N	420.421	3.442	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1O	408976244	ADRJOISWBYXEQO-KXWHUPIZSA-N	417.465	3.412	50	40	HGGB	
CCOC(=O)Cc1csc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)n1	946960	CDCCIASWDSDBSK-RIYZIHGNSA-N	415.471	3.202	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1	28218118	FUXBFGSIKMVTGF-MFKUBSTISA-N	412.449	3.217	50	40	HGGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(OCc2ccccc2)c1	32119089	JEURTPBOOLWWIS-UHFFFAOYSA-N	411.508	3.276	50	40	HGGB	
COc1cc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc(OC)c1OC	4121477	ZJQMIEYSFOMGQJ-UHFFFAOYSA-N	419.459	3.096	50	40	HGGB	
Cc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1	4944735	BQRQGDIYBVCQCK-VWLOTQADSA-N	410.477	3.430	50	40	HGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3/C(=O)Nc4ccccc43)cc2)n1	6404354	UZRXXCWYZNHYKG-UHFFFAOYSA-N	417.494	3.472	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cccc(C)c1	11690295	YLNAUPLJWYYDIA-ODUYVQIQSA-N	407.495	3.176	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)n1	40080036	LPZGUJHAOUYILR-UHFFFAOYSA-N	415.295	3.415	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2	245225867	VUBVNWRXPHTIHJ-APVVIDPYSA-N	421.975	3.205	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409009306	DAZNNLPKDVJOKX-DJKKODMXSA-N	422.235	3.415	50	40	HGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)c(C)c1	2135166	SITWWWITFPQGBQ-UHFFFAOYSA-N	419.481	3.402	50	40	HGGB	aggregator
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1	3112282	HCORRRLVGZNWMS-LWROZRRASA-N	417.465	3.325	50	40	HGGB	
N#CC(C(=O)COC(=O)c1cc(Br)ccc1O)=C1Nc2ccccc2N1	3248040	BFZOBVDGGZEKMD-UHFFFAOYSA-N	414.215	3.153	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CC1	408613411	ZPBVPIHBVFPDHQ-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	2378821	SMNMZAJDIVGLFP-GKXUUXLPSA-N	405.520	3.211	50	40	HGGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	5211222	KMXZGMGIMFPSAQ-UHFFFAOYSA-N	413.437	3.488	50	40	HGGB	
O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1cccc(Cc2ccccc2)c1)c1ccccc1	13739351	QUGQFOZXCUJRAT-UHFFFAOYSA-O	415.498	3.068	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Br)OCO3)c(C)c1	30760611	SQYIDYXNEFKKJM-ZBKNUEDVSA-N	405.248	3.324	50	40	HGGB	
O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	250840125	DQQARWQWHGCCLZ-SLQSZJTJSA-N	419.300	3.320	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408609033	JATNHRKBTJPMOF-WSDLNYQXSA-N	418.291	3.004	50	40	HGGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2)cc1	58882751	VOYNXHKQGVXMDP-XYGWBWBKSA-N	417.465	3.406	50	40	HGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2Cl)c(C)c(C#N)c1=O	409056630	HNFSSACVXJULRR-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc1	409261425	BOEHPGYNSCCQOZ-WSDLNYQXSA-N	419.865	3.322	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NC1CC1	408606689	ADTSZHDBNQZZSX-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)c1cc2c(s1)CCC2	40144160	ANJFRJFZTVSKDC-UHFFFAOYSA-N	412.490	3.182	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNc3cccc(Cl)c3)C2)s1	40047617	HAXJHZPXHOBABS-CYBMUJFWSA-N	413.952	3.254	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2C=CC(C#N)=C[C@H]32)cc1	20081219	QXAZVKPNPDQSMN-YSFYHYPLSA-N	409.445	3.014	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OS(=O)(=O)c1ccccc1	2078438	PKHUIRSALGNROT-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1	58882904	DKIAYTZHRFSHGC-PKAZHMFMSA-N	415.493	3.497	50	40	HGGB	
CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1	409020170	ZQOSOPIOZVKKQC-QMFLXTPQSA-N	401.894	3.400	50	40	HGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1OC	409321616	GXVROJTVYXADDR-JAIQZWGSSA-N	405.248	3.492	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1I	1434393	QCIMOVSYFKBMFG-VXLYETTFSA-N	424.238	3.137	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(OC)cc1	2266789	BPJAJSNIIHGVJG-AFUMVMLFSA-N	405.454	3.127	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC	4724089	QSSKXAQHACZLSP-KOEQRZSOSA-N	404.466	3.480	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1	18070158	RKTXXEYCBSZDTG-ALOPSCKCSA-N	420.600	3.442	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1	19861320	QCAVRSSSPHSDPX-KOEQRZSOSA-N	408.546	3.052	50	40	HGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C2\C(=O)Nc3ccccc32)c(C#N)c1C	408547014	QIQUJZLFLBOBHT-JXAWBTAJSA-N	405.435	3.146	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1	409009409	FKWLCFIVSQZQDM-HNDQUVLASA-N	410.426	3.491	50	40	HGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(O)cc1	409015666	RTHNSXNVZXEVOT-LPYMAVHISA-N	414.414	3.063	50	40	HGGB	
O=C(NNc1ncnc2ccccc12)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	1615055193	IUKNFOWYHSHCHJ-IRXDYDNUSA-N	415.453	3.066	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CP(=O)(c2ccccc2)c2ccccc2)cc1OC	3109440	ZJIHDBXMFUQQOX-LFVJCYFKSA-N	422.421	3.168	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1Br	58886356	WSSINGBPRPOVOS-KOMLCTQHSA-N	404.308	3.479	50	40	HGGB	
CN(C)c1ccc(C(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1	12609818	KAINFHFBRLIQHY-UHFFFAOYSA-N	411.465	3.438	50	40	HGGB	
COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(OC(F)(F)F)cc2)C1=O	9060950	UKKWJKWOBDLUKY-WJDWOHSUSA-N	409.364	3.126	50	40	HGGB	
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(N(C)C)cc1	408970309	FSHVLPZYMYRELA-XAOCGEIJSA-N	424.545	3.121	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	1476132	SABLIEQWJABINZ-FQEVSTJZSA-N	414.421	3.331	50	40	HGGB	biogenic
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccncc1	6134814	UVYDMKVWAKWEFT-GRMYTIJRSA-N	407.474	3.007	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cccc1[N+](=O)[O-]	4599571	OGVSXKJLRUANOW-CNHKJKLMSA-N	406.192	3.158	50	40	HGGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)c(C)n1-c1ccccc1	16149839	CGJONBGGGSBMEX-UHFFFAOYSA-N	423.416	3.135	50	40	HGGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(OC)c1OCC(=O)O	59248808	ATXZVVQAPUJYCM-SSDVNMTOSA-N	402.834	3.304	50	40	HGGB	
COC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl	8655304	YBVRGDSNSXHFTJ-LUJYGJGBSA-N	408.241	3.284	50	40	HGGB	
COc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1	100547651	RVQQDOQGJMXOAX-WUHRBBMRSA-N	417.097	3.122	50	40	HGGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(I)c1OC	4599614	ZWIORVODXULNIF-LZYBPNLTSA-N	406.220	3.167	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1	408840129	XVCSSUXZCASRPM-FRKPEAEDSA-N	415.449	3.422	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(Br)cc1C	408707238	IIAHIRFYMUUEDW-ZVBGSRNCSA-N	423.698	3.351	50	40	HGGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Cl)cc2)s1	98055317	YMCVOAVRLPCHSX-HXJASHHUSA-N	411.936	3.279	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1ccc(Cl)cc1	1306822	DOTCNTNUDZYNCD-SRZZPIQSSA-N	400.895	3.256	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	19954322	ZQSYYXYYSYRHBR-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1	3170354	XPSDLRANZPFAFI-WGOQTCKBSA-N	401.466	3.094	50	40	HGGB	biogenic
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1O	6958755	HXLMDPPODJXHLP-ZVBGSRNCSA-N	410.257	3.495	50	40	HGGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1NC(=S)NCc1ccc2c(c1)OCO2	9282980	RPIOCWSAKJOQOY-NTCAYCPXSA-N	424.482	3.284	50	40	HGGB	
COc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC	15934317	ZHDZQCQXSPWYNE-AWEZNQCLSA-N	409.442	3.477	50	40	HGGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl	101405255	VPJGOMUZHWOWJA-SRZZPIQSSA-N	404.810	3.391	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(Cl)cc1	408773393	QWATXNGVFBOURB-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1	408982081	XNQIKLBYOHSIGO-CNPYVQQSSA-N	417.849	3.396	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CSc2cc(C)nc3ccc(OC)cc23)cc1	676191	GSUWJNYFAZGQOE-UHFFFAOYSA-N	411.483	3.114	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)cc1Br	818605	YNCPDAJXCFZEER-MRXNPFEDSA-N	423.263	3.111	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1	5248508	DNHRITYZPJSTPK-SFHVURJKSA-N	404.426	3.408	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccc2c(c1)OCO2	9110242	HFHOYWWHGURJAL-INIZCTEOSA-N	422.462	3.231	50	40	HGGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1	12851310	RXZCXHRNXIJMED-UHFFFAOYSA-N	416.480	3.045	50	40	HGGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)o1	226768685	INIGGSLSRXNLTR-UHFFFAOYSA-N	404.382	3.410	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)cc(Br)c1OC	4544293	VIVNBZCSYKUHIN-DQAKUKQTSA-N	407.264	3.384	50	40	HGGB	
COc1ccccc1NC(=O)COc1cccc(/C=N\NC(=O)c2ccccc2)c1	33786591	UVWKKFJKRVKBGW-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(=O)O	409201876	OKKYXZMPXHXDKO-AWQFTUOYSA-N	408.863	3.054	50	40	HGGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1O	409261442	BXNHAVSTGQDSJV-UDWIEESQSA-N	404.264	3.414	50	40	HGGB	
CCCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2cc(Br)ccc21	5739060	VUYAECYNTBNHLY-LTGZKZEYSA-N	401.264	3.043	50	40	HGGB	
Cc1ccccc1OCC(=O)NNC(=O)CCn1c2c(c3ccccc31)CCCC2	4819361	WMPQLNRFBBFUCE-UHFFFAOYSA-N	405.498	3.445	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2Cl)cc1	408756656	TUZPQZZDNRKNGA-PPRFWAEMSA-N	421.950	3.492	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408706696	CJKGUIGCRDCNBS-WSDLNYQXSA-N	415.291	3.253	50	40	HGGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(O)cc1	408736409	BTEQHQONFVVTSP-PXYXSCDOSA-N	422.485	3.317	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C)c(Br)c1	408602047	ABGWEUMJGNAGLM-AWEZNQCLSA-N	419.304	3.315	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccc(C)cc1	409013512	ARUPVBMPNACXML-QFEZKATASA-N	418.453	3.180	50	40	HGGB	
O=C(COc1ccccc1Cl)N/N=C/c1cc2c(cc1Br)OCO2	8112257	BPFJBLMYBKBCSW-FBCYGCLPSA-N	411.639	3.360	50	40	HGGB	
Cc1c(C(=O)N/N=C\c2cccc3ccccc23)nn(-c2ccccc2)c(=O)c1C#N	8272578	GKZFWWKPUFADTE-YSMPRRRNSA-N	407.433	3.330	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O	101075919	RSENKQGFQBGRLI-WYUUTHIRSA-N	401.098	3.421	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1	9059297	GTSMKVDMYSQOCD-UHFFFAOYSA-N	409.310	3.336	50	40	HGGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(CN2CCOCC2)cc1	27528000	QVQZDMVNTQXXPN-FYJGNVAPSA-N	402.292	3.045	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC	10287782	MHRCTNDFGDWOJN-UHFFFAOYSA-N	409.442	3.143	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Br)c3)[C@@H]2C1	13739031	VTQGUXVMMMPJAJ-QZTJIDSGSA-N	408.303	3.194	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cccc(OC)c2o1	409247064	BPCBPCYOSBBEDL-OEAKJJBVSA-N	409.442	3.051	50	40	HGGB	
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1)C(=O)O	408934115	CPMDVXHRLGCCOL-BRFSQIRFSA-N	403.438	3.286	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408746403	SMGAXRSJPAPXSG-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1	229757291	MOMBKSTZPCSBQK-QMAGFBJZSA-N	423.494	3.019	50	40	HGGB	
C[C@@H](CCC(=O)NN)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253616693	YZPBDMRZRBJWSE-YWXJFTMFSA-N	406.611	3.383	50	40	HGGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)cc1	8117015	HAWQDRCUXSKEEO-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)[C@H]1C2	7987648	QQSSEEPYPNQEEG-CPQSRKOASA-N	401.532	3.179	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1	2311513	ODOZUINRASSQBA-ZDUSSCGKSA-N	415.646	3.452	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)c3cc(C)n[nH]3)cc2)cc1	18240601	IPPRDVUGDMLYFA-HGQGUNNCSA-N	404.426	3.109	50	40	HGGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1Br	4673245	PFKMOCNGUUEJNK-UHFFFAOYSA-N	401.182	3.472	50	40	HGGB	
O=C(CNc1nc(-c2ccccc2)no1)N/N=C/c1ccc(Br)cc1	5903028	WOHCEJCUZWRGNF-KEBDBYFISA-N	400.236	3.061	50	40	HGGB	
Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2n1	29651785	JYDIWRJNMISVOX-UHFFFAOYSA-N	416.437	3.493	50	40	HGGB	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1C	48310214	DSMCLNRIRKJHIV-SXGWCWSVSA-N	400.429	3.455	50	40	HGGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)c1	58911757	COJNWYDUJCVNHC-CVKSISIWSA-N	402.498	3.477	50	40	HGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1	408810801	JUHDWKFXEOXBDY-YVNNLAQVSA-N	404.850	3.203	50	40	HGGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1	2628120	CVBCNBZJDWCGER-UHFFFAOYSA-N	421.935	3.233	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	4662523	KGFKDNFXTWDGPJ-KPKJPENVSA-N	401.762	3.257	50	40	HGGB	
COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](NNC(=O)c3ccccc3)C2)cc1	5320750	XOSSJMWQQAXYGQ-QFIPXVFZSA-N	414.465	3.206	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408614927	JWLPTUQPSMCVQC-OAHLLOKOSA-N	413.905	3.452	50	40	HGGB	
COc1cccc(CC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)c1	408854970	LJKCEKOBYPMHAA-NDENLUEZSA-N	406.280	3.344	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccncc3)c2)cc1	8686934	FOORNFNGSZZIRX-HZHRSRAPSA-N	424.482	3.045	50	40	HGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1I	10537246	POPUOYXWTWDBEA-UHFFFAOYSA-N	424.282	3.269	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(OCC)c2)cc1	20197972	SCEQBYZIMZVVPQ-LPYMAVHISA-N	400.431	3.101	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C#N)cc2)cc1	59385968	CADFJPVMFHEGHD-BUVRLJJBSA-N	419.462	3.398	50	40	HGGB	
COc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1OC	408548291	FVNGAOQAJLISDS-UFFVCSGVSA-N	413.386	3.439	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(Cl)ccc1C	408708649	RZOYPJLNKMXVGH-ZVBGSRNCSA-N	423.698	3.351	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O	408867746	MUFVYFZWCXRKEZ-QGMBQPNBSA-N	420.343	3.280	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)OC	409229107	JXGUKZZKEPZKAH-BKAYVGFPSA-N	408.454	3.421	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1O	409271509	LUWKDRHUIQTLOO-IFRROFPPSA-N	416.648	3.450	50	40	HGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)CN1CCCc2ccccc21	6509173	ZRZXHZKUZRBQHL-UHFFFAOYSA-N	415.493	3.333	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1	8395821	FPXHIAGGWDDOHN-NRFANRHFSA-N	414.465	3.217	50	40	HGGB	
COc1cc(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OC	35419606	FHHBBZXKHGNDKC-GRSHGNNSSA-N	422.235	3.067	50	40	HGGB	
CC(C)(C)OC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2Br)c1	95455434	YEJKFMXXABJTAB-UHFFFAOYSA-N	419.275	3.479	50	40	HGGB	
CCOc1cccc(/C=N\NC(=O)c2cccc(Br)c2)c1OCC(=O)O	409201473	NJPOQXTXWFPSRL-JMIUGGIZSA-N	421.247	3.075	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1	804184	CVXIPSAEKXLKJH-UXHICEINSA-N	401.470	3.034	50	40	HGGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21	2709962	TZWDPFZKHIIADA-OAQYLSRUSA-N	414.465	3.217	50	40	HGGB	
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)N1Cc1ccccc1	4156994	MYIQOLIVIODDMM-YVECIDJPSA-N	401.098	3.109	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1	6306962	QGYYHMBYWOTRMC-KRWDZBQOSA-N	401.532	3.412	50	40	HGGB	
CN(NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1	10737840	BQYNZHSHPLDBQP-UHFFFAOYSA-N	413.474	3.337	50	40	HGGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc2c(cc1Br)OCO2	28616251	BPFJBLMYBKBCSW-GXHLCREISA-N	411.639	3.360	50	40	HGGB	
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccncc1	33928124	UVYDMKVWAKWEFT-MNIHAFQOSA-N	407.474	3.007	50	40	HGGB	
CNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC	40139669	WVPCOWWNOROKNC-MHWRWJLKSA-N	403.438	3.400	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(N)=O	59254513	RIGRZZGZBYRKBV-NTUHNPAUSA-N	419.359	3.124	50	40	HGGB	
O=C(NNC(=O)c1ccco1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1	716553	DQTNUBYVROQITJ-UHFFFAOYSA-N	421.360	3.144	50	40	HGGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	12292743	UWHVZYRVHKFASB-KRWDZBQOSA-N	417.465	3.476	50	40	HGGB	
O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	59160550	JJVDGXJBYAQDPM-UHFFFAOYSA-N	422.441	3.494	50	40	HGGB	
O=C(NNC(=O)C1(c2ccc3c(c2)OCO3)CCCCC1)c1ccc(Cl)nc1	64291748	GNAJASDROMEAFO-UHFFFAOYSA-N	401.850	3.127	50	40	HGGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O	408785982	DALOTPYPIIJBHJ-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)c(OC)c4)c32)cc1O	1438054	ZLINPPZIPLLWAN-SFHVURJKSA-N	420.425	3.026	50	40	HGGB	
C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NNC(=O)c3cccs3)c2C1	2639222	QVCGALOCROAIRG-CYBMUJFWSA-N	423.494	3.039	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	2735898	QNWUJMORYMPBSW-NTUHNPAUSA-N	416.817	3.366	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	14134530	RXFYKKSVBXQKNT-FSJBWODESA-N	406.394	3.155	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1	20208129	OSKWJJWKKQEHCV-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	33782959	LCWDOKPBPCWLSG-HMAPJEAMSA-N	409.446	3.307	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	408598746	ANXPGGXSFVPBOR-HZHRSRAPSA-N	410.474	3.493	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)NC1CC1	408611061	PSPFAQVHXVLCDB-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2OC)c([N+](=O)[O-])c1	408921351	AMXCNIVUNAXOAU-NTUHNPAUSA-N	413.386	3.175	50	40	HGGB	
COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1O	585679572	JQZDEQXGSWVFOT-UHFFFAOYSA-N	417.893	3.495	50	40	HGGB	
O=C(CN1CCCCCC1=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	14250160	OWKHPUOHKFUJRW-UHFFFAOYSA-N	414.314	3.372	50	40	HGGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccc(C)cc1	15939026	TVOPJIDGPOOWHE-SRZZPIQSSA-N	422.279	3.226	50	40	HGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1	408922432	ASSLSOJPYATMJU-CNRHGSOZSA-N	423.922	3.044	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1	16489204	DKPHWDHJUHWHPC-JYRVWZFOSA-N	401.216	3.458	50	40	HGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(C#N)cc1	1411009	XMABIMODSPUNCI-GIDUJCDVSA-N	412.243	3.301	50	40	HGGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1ccc2c(c1)OCO2	40128789	MJTAITDEXHOZGB-UHFFFAOYSA-N	421.365	3.191	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc([N+](=O)[O-])ccc3O)o2)c1	100278557	FDCUSRLGGBTXKL-NHDPSOOVSA-N	409.354	3.111	50	40	HGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	408789672	QWCKPOURMKQFMF-QGOAFFKASA-N	404.422	3.430	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12	971445	KBNSVEHANHXYOP-DEOSSOPVSA-N	415.449	3.032	50	40	HGGB	
O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1cccc(Cl)c1	3452940	HTJKLHVQEREDMA-UHFFFAOYSA-N	418.840	3.114	50	40	HGGB	
CCOc1ccc2c(c1)C=C(C(=O)NNC(=O)c1ccc(Br)cc1)CO2	58201418	GDMGJKBDMNPDLE-UHFFFAOYSA-N	417.259	3.085	50	40	HGGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)cc1	58912549	FCDBYRZUVFRXOL-LFVJCYFKSA-N	410.518	3.346	50	40	HGGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Br)cc4)[C@H]3[C@H]1CC2	101142018	JQOWUEPPUWFFJG-AXUOBQJMSA-N	420.314	3.335	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	102083098	AKNVWNUHZKSLBL-OYUDYFSCSA-N	404.378	3.126	50	40	HGGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(Br)cc1	408924621	NGXKCCVTRRVBIE-MDWZMJQESA-N	401.216	3.458	50	40	HGGB	
CCOc1ccc(N([C@H](C)C(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1	637639	BLWHMUXTEAJCQU-MRXNPFEDSA-N	409.552	3.456	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	2085055	WCEILPXRZAYGSV-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275939	PWVQQQOJIHFYOW-AVRDEDQJSA-N	408.479	3.347	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	409004291	BTZLHYUYULFPNL-WGOQTCKBSA-N	417.465	3.041	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2c(C)cccn2c1=O	4205636	JONWVLFSZVOBKW-GHRIWEEISA-N	402.454	3.401	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2cccs2)ccc1OCc1c(C)noc1C	6508534	FUENHKKEYGSYMP-UHFFFAOYSA-N	401.444	3.015	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)CSc2nnc(NC3CCCCC3)s2)c(C)o1	6787697	KGNLWHQDRGEPQB-UHFFFAOYSA-N	409.537	3.046	50	40	HGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	8812569	FZNQAGXPMYLNCK-CIAFOILYSA-N	417.259	3.242	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(Br)c1O	30802392	GGJXQCYPTXGWES-UWVJOHFNSA-N	413.655	3.346	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	103084854	QYLPXTMFQUAGEZ-VBKFSLOCSA-N	410.890	3.400	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1[N+](=O)[O-]	107708076	ISPAYMIWTRCKNN-GIJQJNRQSA-N	400.372	3.490	50	40	HGGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1	408953503	PZKPUWIQROAYCQ-JLPGSUDCSA-N	405.502	3.138	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1O[C@@H](C)C(=O)O	409017388	WFGJBTHYSOGBKD-JHAVZTMOSA-N	412.398	3.066	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1	3347431	DNEIILJZNQGOSF-UHFFFAOYSA-N	406.438	3.358	50	40	HGGB	
C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccc(Cl)s1)c1ccc(Cl)s1	5890000	GMVKNERPQOVNAO-ZEELXFFVSA-N	403.316	3.497	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N(C(C)C)C(C)C)=C2C#N)cc1	6306976	QGYYHMBYWOTRMC-QGZVFWFLSA-N	401.532	3.412	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2ccccc2O)c1OCc1ccc(C(=O)O)cc1	10040828	AREPBJFXLOJGPJ-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1C	25608442	DSMCLNRIRKJHIV-CXUHLZMHSA-N	400.429	3.455	50	40	HGGB	
COc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	100547646	RVQQDOQGJMXOAX-FNFFVJSTSA-N	417.097	3.122	50	40	HGGB	
[BH3-][P+](c1ccccc1)(c1ccccc1)c1ccc(I)c(F)c1	226651840	AZOJDBWRBWHBGJ-UHFFFAOYSA-N	420.014	3.005	50	40	HGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(I)cc2)cc1OC	409360436	FKYAGIVROQDUSU-ODLFYWEKSA-N	424.238	3.001	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409361108	GRCNJPRKFQMNIN-LPYMAVHISA-N	407.382	3.319	50	40	HGGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(C)cc2)cc1	12275145	QJQJWGUVKGCDQK-WZONZLPQSA-N	420.490	3.425	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	59333607	DSDHBQPAFDXSOR-JYRVWZFOSA-N	412.358	3.299	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	100887923	GCRSFEABFCYYIJ-ZCNNSNEGSA-N	419.506	3.476	50	40	HGGB	
O=C(CCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C/c1ccc2c(c1)CCC2	1601744	WCVRUKZIHPKZDL-CTVDDJEBSA-N	416.525	3.435	50	40	HGGB	
COc1ccc2oc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)c(C)c2c1	3360896	OIFQRPQTFOVQLE-UHFFFAOYSA-N	416.817	3.021	50	40	HGGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccc(OC(F)F)cc1	6415010	GGEMVFHNIOAESD-AUWJEWJLSA-N	401.321	3.350	50	40	HGGB	
O=C(N/N=C\c1cc(Br)cc(Cl)c1O)[C@H]1COc2ccccc2O1	13596385	HYODFNHGOIMUAL-TZFWNBKVSA-N	411.639	3.098	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1	20100768	LKURCDDSJZBCIB-KEBDBYFISA-N	423.263	3.091	50	40	HGGB	
CCn1c(SCC(=O)N/N=C\c2ccc(C(=O)O)cc2)nnc1-c1ccc(C)cc1	30750196	GSWITLBKCQBDAF-UUYOSTAYSA-N	423.498	3.214	50	40	HGGB	
CCN(CC)Cc1ccc(C(=O)NNC(=O)c2cc(C3CC3)nn2-c2ccccc2)o1	48375359	HOFLGFDWNNEBRI-UHFFFAOYSA-N	421.501	3.259	50	40	HGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)CNc1ccc(C)c(C)c1	409091888	VMUNWARFSKPTDA-AFUMVMLFSA-N	410.518	3.483	50	40	HGGB	
Cn1cccc1/C=N/NC(=O)c1cc(Br)c(O)c(Br)c1	409101423	TYYLVGAHNDHUPO-FRKPEAEDSA-N	401.058	3.020	50	40	HGGB	
CN1CCN(/C=N/C2=C(C#N)[C@H](c3ccccc3)C3=C(CC(C)(C)CC3=O)O2)CC1	2404159	YYKGEQLXOIOEML-AUEUWSLNSA-N	404.514	3.454	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)cc1	8116967	XSAIWIBRUJKRHF-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1	12900175	RSYBHPMGYJTQRC-NRFANRHFSA-N	424.478	3.111	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccc(F)c1)C(=O)N/N=C\c1cccc(F)c1	38799108	FWGNXZBVSQOWTR-JUNJMIJGSA-N	418.469	3.075	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccc(Cl)cc1	949929	QGKHENSLWUDYRR-SRZZPIQSSA-N	400.895	3.256	50	40	HGGB	
O=S(=O)(CN(CCBr)CCBr)c1ccc(Cl)cc1	1859149	DKLOBOUDGXEBLI-UHFFFAOYSA-N	419.566	3.163	50	40	HGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCOC)c2C)cc1	7165275	PYDAIWVDMPJJLR-XSFVSMFZSA-N	409.486	3.331	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1	408777499	ATHUAKFQXSCDNO-LPYMAVHISA-N	411.483	3.139	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408944348	VECIHOGMCLMQOK-ZFILKEQLSA-N	408.424	3.478	50	40	HGGB	
Cc1ccccc1N1C[C@H](C(=O)N/N=C/c2ccc(Br)cc2)CC1=O	716811	RWWDCCRIEFEQLT-UGVMZYNRSA-N	400.276	3.261	50	40	HGGB	
Cc1cc(=O)oc2c(/C=N/NC(=O)c3ccc(Br)cc3O)c(O)ccc12	722050	YFSAHGCEEPUBHC-DNTJNYDQSA-N	417.215	3.039	50	40	HGGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1	6602533	FEFDGRAZKKESPH-HXUWFJFHSA-N	418.453	3.040	50	40	HGGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	28215259	KCNYKQRGHXZZAH-WGOQTCKBSA-N	401.466	3.454	50	40	HGGB	
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(C#N)C#N	95681967	UTOKSOMQBUBPNA-UHFFFAOYSA-N	421.281	3.027	50	40	HGGB	
C[C@@]12[C@@H](I)[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H](I)[C@@H]1[C@@H]53)[C@@H]42	100884668	YYOJUCRKMCIPST-MMVBDIMUSA-N	412.052	3.371	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1	104474181	XWYZVIYQWMOSEF-LGMDPLHJSA-N	408.483	3.245	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccncc3)c2C)cc1Cl	408970719	CNLOBSQQPANTRC-LGJNPRDNSA-N	423.904	3.217	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1	409006886	RSIHKOYUGXGRCB-LFVJCYFKSA-N	409.486	3.096	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2C)nc2c(C)cccn2c1=O	4205704	NBYNAKDHMSRLOW-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
O=C(NNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1O	7986372	LRLZJULDGSUMLW-UHFFFAOYSA-N	404.451	3.381	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OC	9374486	YJFIXRZGUVZLDU-GOSISDBHSA-N	422.416	3.460	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(F)cc3s2)cc1	9381823	NUZOATZLXTYKIH-UHFFFAOYSA-N	422.507	3.223	50	40	HGGB	
C=CCn1c(C)c(C(=O)OCC)s/c1=N/NC(=O)c1ccc(Br)cc1	11852546	APBFDBTVBGFNBZ-LVZFUZTISA-N	424.320	3.229	50	40	HGGB	
COc1cc(Br)ccc1-c1oc(/C=C/C(=O)NN)cc1Br	57353787	FUJCKDDDRGKKEY-HWKANZROSA-N	416.069	3.483	50	40	HGGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCC2)[nH]1)Nc1ccc(Cl)cc1	408724948	HQQZAGMWYGMAKN-UHFFFAOYSA-N	424.896	3.439	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1OC	408827316	GOJSIBPDAZYJPH-CIAFOILYSA-N	420.307	3.225	50	40	HGGB	
COc1ccc(/C=N\NC(=O)c2cccnc2)cc1Oc1nc(Cl)ncc1F	32109571	IDOUXVNKAPWNFZ-NYAPKIOYSA-N	401.785	3.229	50	40	HGGB	
O=P(OCCBr)(OCCBr)OCCBr	95794157	FFULTTXGZNPTQO-UHFFFAOYSA-N	418.844	3.329	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	408567026	KEZQTBFCPAOFRA-UUYOSTAYSA-N	408.414	3.185	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1cccc(C(F)(F)F)c1)N(c1ccccc1)S(C)(=O)=O	408906866	JQIYFPMHJMCWDM-AEOXGOBCSA-N	413.421	3.010	50	40	HGGB	
CN1C(=O)/C(=N\NC(=O)CSCc2ccc(Br)cc2)c2ccccc21	2273027	UPFCMKGUGXRBNB-FXBPSFAMSA-N	418.316	3.179	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Br)c3)[C@H]2C1	4427012	VTQGUXVMMMPJAJ-ROUUACIJSA-N	408.303	3.194	50	40	HGGB	
O=C(NNC(=O)c1cnccn1)c1ccc(CSc2nc3ccccc3s2)cc1	9441738	IMVHGHZONVRKRA-UHFFFAOYSA-N	421.507	3.453	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1OC	14134655	TVKDJOHMOCJCCT-MBTVCVBTSA-N	407.264	3.040	50	40	HGGB	
O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1cncc(Br)c1	1425038	OOISLXHETGWBQM-UFFVCSGVSA-N	414.215	3.420	50	40	HGGB	
CCCCN1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)NC1=S	2396627	DMIPSUMMOOWAFN-DTQAZKPQSA-N	405.951	3.105	50	40	HGGB	
N#Cc1ccc(C(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)cc1	3433585	XMMYDSXSZDNTHJ-UHFFFAOYSA-N	401.422	3.091	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1O	5463523	ORPFIPYNKCBQTL-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	8217851	VTNPKLVYIMVVNJ-SRZZPIQSSA-N	418.291	3.003	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1O	10476118	RGVNYZPJNCGBPZ-VCHYOVAHSA-N	410.211	3.159	50	40	HGGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2O)cc1OC	28217873	DZVVBAZAEUNVBS-RGVLZGJSSA-N	405.248	3.492	50	40	HGGB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c(OC)c1	408605201	KXXNREMVMWKSSS-KRWDZBQOSA-N	414.487	3.040	50	40	HGGB	
COc1cc(CN(CCBr)CCBr)cc(OC)c1OC	1713600	VMVUFHSRYGDSAA-UHFFFAOYSA-N	411.134	3.304	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2	2422926	PVLMKMZYGGZVOD-DEOSSOPVSA-N	411.465	3.308	50	40	HGGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccnc1)c1cccs1	3184839	IXGFPEYCZSFIDJ-HUHXJTTESA-N	417.494	3.116	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)c2cc(C)oc2C)cc(Br)c1OC	7000246	LBTSLNKANNZZTC-UHFFFAOYSA-N	411.252	3.141	50	40	HGGB	
COc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(C)cc3)c2)c1	8372169	YLICGCTVNQXNRE-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cncc(Br)c1	9317144	JIDPACBXBDYBSK-UHFFFAOYSA-N	417.288	3.351	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2cc(Br)ccc21	18254646	DYJOGUARGHJCDJ-PYCFMQQDSA-N	416.275	3.023	50	40	HGGB	
Cc1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)c(C#N)c2C)cc1	30834275	LHOOLJJDRIVPGI-ROTLSHHCSA-N	419.872	3.447	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	408771163	FTNYVGRXZBMZOF-RELWKKBWSA-N	401.532	3.194	50	40	HGGB	
O=C(N/N=C/c1cccnc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408826608	HSDAAJYQJNEKTN-OVVQPSECSA-N	413.525	3.163	50	40	HGGB	
COc1ccc([C@H](NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OC)cc1	4855219	WPYIACVONYOLEG-LWROZRRASA-N	417.465	3.325	50	40	HGGB	
CCc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1	33656394	YCOKHJHCJJSFAV-HAHDFKILSA-N	409.511	3.173	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(C(=O)O)o1	33771284	NBHNKLXULNBJDD-JJFYIABZSA-N	410.382	3.035	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1O	409007723	ZEYWNFDXTDFBKP-YDZHTSKRSA-N	415.877	3.057	50	40	HGGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1	409228733	DKBMJJGBSGYXNS-UEIJICEPSA-N	406.442	3.216	50	40	HGGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1Br	4698929	IQNCLHBHEKJGAN-SRZZPIQSSA-N	412.243	3.397	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1	12275394	CBQSXFFFWWPPQJ-JTSKRJEESA-N	408.479	3.347	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(NC(=O)c2ccccc2)c1C	409209876	HXXSYIUSUAKNOG-OYKKKHCWSA-N	420.469	3.027	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	4646367	JUXORCFWHPYMDE-BDZJXZIMSA-N	419.441	3.102	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1	23109315	PJVTWAHBKKHLQD-UHFFFAOYSA-N	421.472	3.408	50	40	HGGB	
Cc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3Cl)C(O)=NC2=S)c1	38160988	XEMNLSWYSNHIFQ-UVTDQMKNSA-N	414.874	3.055	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1	408747739	SGFZPAZCUASXJG-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)NC(N)=O	409221274	NUTOQGVECCQARQ-ZROIWOOFSA-N	400.232	3.130	50	40	HGGB	
O=C(OC(=O)[C@@H](Br)CC(F)(F)F)[C@@H](Br)CC(F)(F)F	885164033	DPAVLQLMPXIPHX-IMJSIDKUSA-N	423.929	3.488	50	40	HGGB	
Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2ccccc2OC(F)F)cc1	3253822	IUCRZWJVUDPBHN-LSHDLFTRSA-N	417.441	3.473	50	40	HGGB	
CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1	4052993	KOESYXXAZNRTEX-UHFFFAOYSA-N	400.407	3.314	50	40	HGGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(F)c(F)c2)c1C	4494268	IBLNRIMFRZZOBL-RQZCQDPDSA-N	402.397	3.363	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc3ccccc23)c(C)c1	6456217	KJTFTGXGNGFIKX-YDZHTSKRSA-N	409.511	3.194	50	40	HGGB	
O=C1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)N1Cc1ccccc1	18268924	MYIQOLIVIODDMM-ZDEQEGDKSA-N	401.098	3.109	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1	59960251	CZKJWEGQGBJRQH-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1cccc(Cl)c1	408768946	MRPAWNMFQDRGJS-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	408978163	YNMCYSQMKWKUEW-SSDVNMTOSA-N	423.381	3.285	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1	4600009	DKZYSXXPMKVTAN-QQBFNENRSA-N	401.422	3.473	50	40	HGGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	5883447	CKKUIIOCEYQSQM-XQNSMLJCSA-N	408.483	3.345	50	40	HGGB	
O=C(NNS(=O)(=O)c1cc(F)ccc1F)c1cc2c(s1)CCCCCC2	8108094	AAPUTWIYBYPPEQ-UHFFFAOYSA-N	400.472	3.309	50	40	HGGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	9219885	POZVSXGAAMEFOT-UHFFFAOYSA-N	415.497	3.467	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(Br)c2ccccc12)c1ccccc1	12290785	WEUNMRAOBPCAFB-UHFFFAOYSA-N	405.273	3.226	50	40	HGGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21	16712641	KULBWXPRTZGKQK-SILNSSARSA-N	402.248	3.044	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OC	58887420	XZJQVUHEYDOHKK-SVZNOHIVSA-N	421.291	3.430	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2ccccc2)cc1	253487811	QXAZVKPNPDQSMN-CLAROIROSA-N	409.445	3.014	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	409005381	ZQZCUWIWDDYRKM-WYMPLXKRSA-N	405.857	3.425	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1	409007864	ZYNQXBCFEXQVLK-PCLIKHOPSA-N	409.461	3.393	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(Br)s1	2239734	QQNGSHRTJNCOQL-LLVKDONJSA-N	403.685	3.374	50	40	HGGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1OC	6373148	BVSMQSSPQHCNEX-YYDJUVGSSA-N	415.449	3.385	50	40	HGGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccccc2F)c2ccccc21	12416262	PCXIKVBYHCZUAC-ZZEZOPTASA-N	402.429	3.263	50	40	HGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(Cl)c1O	108013295	FKVULZDHNVANMQ-QGMBQPNBSA-N	412.627	3.409	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCC(=O)O	216042930	FDOUFDMTRZEIBL-YVNNLAQVSA-N	404.850	3.122	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cn2c(-c3ccccn3)nc3ccccc32)ccc1O	226864629	HWVVSOGPCXWUNG-AFUMVMLFSA-N	415.453	3.353	50	40	HGGB	
CCOc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	803655	AIZDIQKRZWHYTD-DENIHFKCSA-N	417.513	3.228	50	40	HGGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC[C@@H]1CCCO1	853963	PDDRUKQGLFYNLO-QFTJCQGQSA-N	407.426	3.376	50	40	HGGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)[C@@H]1COc2ccccc2O1	2300807	HYODFNHGOIMUAL-RJZHOQSWSA-N	411.639	3.098	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(Br)ccc2Cl)c1	3329760	XRJPYGRPBLEIGX-UHFFFAOYSA-N	413.655	3.195	50	40	HGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1NC(=O)c1ccccc1	12346532	YTLWQYZEVIFZOD-UHFFFAOYSA-N	423.856	3.432	50	40	HGGB	
O=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1Cl	30809160	CYAYPJASOFMHPJ-IUXPMGMMSA-N	400.603	3.414	50	40	HGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	408612063	UHUVDDCRSPHZAY-WGOQTCKBSA-N	401.466	3.341	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CSCc2cccc([N+](=O)[O-])c2)ccc1OC	408728225	XGIHYLMEHZBNDQ-RGVLZGJSSA-N	403.460	3.386	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	408768176	UOKHJXDNVDMQCL-RELWKKBWSA-N	401.532	3.194	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1NC(=O)c1ccccc1	409216530	JAUQPDMSNICAPY-BUVRLJJBSA-N	403.486	3.319	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1OC	409365424	QRPYNDMGIDMWGS-YDZHTSKRSA-N	408.410	3.355	50	40	HGGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1	840405	FRMXTKULTFHSRN-SNVBAGLBSA-N	413.257	3.239	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	5006592	BHCHCMDZFUYVIF-LFIBNONCSA-N	413.861	3.027	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(OC)cc1	6581858	CSCRYALOQXTWLX-FYJGNVAPSA-N	401.260	3.163	50	40	HGGB	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=O)COc2ccccc2C#N)cc1	40160285	XFXQYCYDFRIABQ-UHFFFAOYSA-N	420.494	3.068	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	59444441	ZQCYIQHKISQKTD-UFFVCSGVSA-N	408.241	3.259	50	40	HGGB	
CCCCC(O)(CCCC)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	5731990	SKWGWVLFAFRMCQ-UHFFFAOYSA-N	410.312	3.333	50	40	HGGB	
N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(Br)cc1	5895363	OIYQYENRXSIDDM-QBFSEMIESA-N	402.248	3.424	50	40	HGGB	
CC(=O)Nc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3C(C#N)=CNN32)cc1	13693760	PKVLNWJRFQLQBK-OAQYLSRUSA-N	412.453	3.239	50	40	HGGB	
Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	25359523	VAQKUFVIZCCMKW-UHFFFAOYSA-N	423.542	3.427	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cccc(I)c2)c(OC)c1	107588749	XQZMPQOSLAYRSF-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1C	3077115	OAWYRDZLFUNTOJ-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1	6264463	FBZGAZMMZZNFAP-UHFFFAOYSA-N	405.907	3.468	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2I)c1	8811014	STNQUVHKCCADOL-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])c(Br)c1	20103205	FHFKUSBDGLPBDM-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	2342411	BHCYOTWGOQIIKQ-HXUWFJFHSA-N	414.421	3.331	50	40	HGGB	
COc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)CCCCl)cc1	3180185	DBCOMERFVSFXBD-UHFFFAOYSA-N	400.862	3.343	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCN(c3cccc(Cl)c3)CC2)cc1	6719103	RPGXJRQKWBZFRY-FBMGVBCBSA-N	410.905	3.194	50	40	HGGB	
O=C(Cc1csc(-c2cccc(F)c2)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	17519231	COTISFKKILHESG-UHFFFAOYSA-N	421.457	3.343	50	40	HGGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	18192962	VBEBMRCGBJDGIF-XLNRJJMWSA-N	420.252	3.037	50	40	HGGB	
O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	101139552	FIGDEIISZPQCOA-GRRRKWKPSA-N	405.130	3.097	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Cl)c3)CC2)cc1	1384014	NOQQRYLZOAEGBH-HYARGMPZSA-N	419.934	3.199	50	40	HGGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1	6223133	GDFDUKOURMKRLZ-MLPAPPSSSA-N	402.204	3.286	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Cl)cc1OC	6958503	BPXMXMHRTAQAIF-AWQFTUOYSA-N	408.911	3.397	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCCC(C)C	14250158	NKVLSZDRDGWLAW-UHFFFAOYSA-N	415.446	3.412	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1	16839267	RTSYIBAMWPNWRR-UHFFFAOYSA-N	419.481	3.150	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1O	36153504	HBAMJVWCJDXDLR-FSJBWODESA-N	408.414	3.415	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc([N+](=O)[O-])c1O	36245309	MTKUOMYTRYFVLX-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)c1	40137478	IYKZMSDZZTYHOI-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)c1	58914304	BBUHYQOXIGOOCP-DICXZTSXSA-N	417.513	3.263	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)CCn2c3c(c4ccccc42)CCCC3)c1	1815722	OZSHYZIBMNPLJY-UHFFFAOYSA-N	405.498	3.445	50	40	HGGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc([N+](=O)[O-])c1	3084204	CXJIFOZAALXNCU-YBFXNURJSA-N	419.235	3.226	50	40	HGGB	
CCCCC(=O)N/N=C(\C)CC(=O)Nc1cccc(I)c1	4402113	CXCXFKXYBQFJFH-WOJGMQOQSA-N	401.248	3.302	50	40	HGGB	
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNC(=O)CCC1CCCCC1	5722772	GNPYTIXAPOPLHE-MBAYWBQQSA-N	403.567	3.215	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC	5724628	OSPUMXYFVOYRSF-OAQYLSRUSA-N	402.454	3.475	50	40	HGGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	6454170	JDXFUYDVPRZKTR-MRXNPFEDSA-N	413.524	3.390	50	40	HGGB	
CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21	12436531	KMABWKCHLYZXPW-DAFNUICNSA-N	407.518	3.422	50	40	HGGB	
CC(C)C[C@H]1C[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC(=O)N1	95468787	OYLHNCPAQNQSPP-CVEARBPZSA-N	405.564	3.109	50	40	HGGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OCC)c2)c1	408745356	MEFVCRWQMLHOIP-YBEGLDIGSA-N	410.426	3.493	50	40	HGGB	
NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408882141	NOEKJJMSPSZRIC-REZTVBANSA-N	424.167	3.060	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	409184822	OFPZLQGKFLIPPP-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
CCCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409323106	NGERBJDVMHXCHK-CQSZACIVSA-N	422.348	3.437	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)o1	6229942	PHCRVBOUMPBVHG-FOKLQQMPSA-N	412.373	3.468	50	40	HGGB	
Cc1cc(C)n(CC(=O)N/N=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)n1	6687006	IUTVLOYDAKHZNA-ZVBGSRNCSA-N	405.289	3.451	50	40	HGGB	
O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	101139550	FIGDEIISZPQCOA-PTEOKISQSA-N	405.130	3.097	50	40	HGGB	
COc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2)cc1	409042215	BWAOKQHXGAASNI-DTQAZKPQSA-N	416.433	3.389	50	40	HGGB	
COc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(C)=O	4499477	NLVSLHQTDOBUFB-UDWIEESQSA-N	407.264	3.386	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCC3)=C2C#N)cc1Cl	6441639	UOTILKUOVXEHBS-CYBMUJFWSA-N	405.907	3.043	50	40	HGGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)c2ccccc21	8670819	AKGNOLADRYTUBR-JOCHJYFZSA-N	417.856	3.469	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	14095233	APMOFSFQOCSQFN-HNNXBMFYSA-N	400.438	3.458	50	40	HGGB	
CC(C)(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	17397145	KEFLCIMYQCEMRH-UHFFFAOYSA-N	423.922	3.338	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@@H]2C1	1754248	AXBUSRSBMAXMBL-RTBURBONSA-N	419.510	3.290	50	40	HGGB	
CN(C)C[C@H](/C(Cc1ccccc1)=N\NC(=O)C[n+]1ccccc1)c1ccccc1	5809912	KIGODNSVDXNWDX-IFGIJGHPSA-O	401.534	3.034	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1OC	8583096	BLDPUUWKCADFCZ-UHFFFAOYSA-N	424.848	3.243	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H](C)Br)cc2)c1	9499296	UMWSXIKJARNLTG-GFCCVEGCSA-N	421.243	3.424	50	40	HGGB	
O=C(NC/C(=N\NC(=O)C1CC1)c1ccccc1)c1ccc(Br)cc1	18191630	QZHUQFPBIYVATR-OQKWZONESA-N	400.276	3.109	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1	19953212	UDAZBOHCLJMKHI-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
COCCn1nnc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2c1=O	96222635	FZZKMYZVNXMNFV-CQSZACIVSA-N	408.549	3.091	50	40	HGGB	biogenic
CCc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1	409029221	WTRQOVGALZOBPI-PXLXIMEGSA-N	411.483	3.188	50	40	HGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)OCCC#N)=C(C)N1	19815911	KTTDSOCEJIVJAU-IBGZPJMESA-N	411.483	3.136	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cn1	30802977	AGKHIQQTDALVLP-FMCGGJTJSA-N	404.382	3.281	50	40	HGGB	
O=C(CSc1nn(-c2ccccc2)c(=S)s1)NNC(=O)c1cccs1	40159077	ZTEXZSRDSJCIMR-UHFFFAOYSA-N	408.555	3.278	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1	408960836	OOKNWTUUPYWZHH-FMCGGJTJSA-N	408.410	3.491	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C)nc3)cc2OC)c1	1054198	GZIWZKZPQOLVID-DHRITJCHSA-N	419.437	3.390	50	40	HGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2[N+](=O)[O-])cc1	1319846	CKRNLBHJFNHORX-SRRANQMSSA-N	401.419	3.352	50	40	HGGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1OC	1468605	OHASMPFEPFBFNI-CIAFOILYSA-N	409.402	3.156	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)c1	5156395	BBNONNBRZPMZJW-KRWDZBQOSA-N	404.426	3.321	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1	6234361	UREUPTOKBBZFML-KEBDBYFISA-N	414.314	3.073	50	40	HGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cc1cccc(C(F)(F)F)c1	6334285	XQGMXWPBWHVVLO-UHFFFAOYSA-N	400.784	3.436	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1	12364804	BXRLKDMPQFVITF-UMYHVIPVSA-N	408.414	3.413	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2	20100789	DJDPJFXFTXAKCM-AWQFTUOYSA-N	421.247	3.106	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1	22357290	MOMBKSTZPCSBQK-VLYDWHABSA-N	423.494	3.019	50	40	HGGB	
O=C(COc1ccccc1)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	58883249	RIMCBGMXXRMJDC-IWIPYMOSSA-N	409.486	3.043	50	40	HGGB	
CCn1c(=O)c2ccccc2n2c(COc3ccc(SC#N)cc3OC)nnc12	89300066	DFYVMSSWLMVYTH-UHFFFAOYSA-N	407.455	3.225	50	40	HGGB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	89787730	GXZUWSLPCHLNFS-CMKODMSKSA-N	407.352	3.089	50	40	HGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1OC	100923141	CJCDAKLMTWKACF-ZVHZXABRSA-N	417.893	3.212	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c1	408725317	HBZORAJPYVJNAQ-LPYMAVHISA-N	407.382	3.334	50	40	HGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	408774641	CQSKBSMAROCIFN-ZMOGYAJESA-N	405.454	3.213	50	40	HGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	2312301	YDEMGKAGWIOEME-LJQANCHMSA-N	412.467	3.141	50	40	HGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	5217832	PSDGMKQPTSEXRY-XMHGGMMESA-N	408.483	3.044	50	40	HGGB	
CN(C)C[C@@H](/C(Cc1ccccc1)=N\NC(=O)C[n+]1ccccc1)c1ccccc1	5809913	KIGODNSVDXNWDX-XGSHPVFQSA-O	401.534	3.034	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12	9665284	RBZZWXOAEOPELQ-LGJNPRDNSA-N	418.403	3.487	50	40	HGGB	
CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	9886228	JAHLPKUKHVXIFX-SWKNLOBNSA-N	420.469	3.220	50	40	HGGB	
COc1cccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)c1	12276017	ZYUVYRJFCFUPAM-VGOFRKELSA-N	408.479	3.347	50	40	HGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1c(F)cccc1Cl)S(C)(=O)=O	20213951	RPOKEWBJYZBMAM-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(I)c1)OCO3	85408851	VNKXVODXGZPQMS-MRXNPFEDSA-N	418.190	3.238	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1C	408708616	RJYUHVSJTSAOGT-SRZZPIQSSA-N	403.280	3.087	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408963096	MMYJETSBDLIVPM-AUEPDCJTSA-N	410.348	3.030	50	40	HGGB	
O=C(N/N=C/c1c(F)cccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1	408970173	BZBFTYZITVQNPJ-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1	3411252	LLOFOOZDPKXRNS-UHFFFAOYSA-N	420.307	3.135	50	40	HGGB	
COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(OC)c(OC)c1	5514064	RLHBJPHNTKOGFU-JAIQZWGSSA-N	407.264	3.168	50	40	HGGB	
CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	16610002	GQNJMLMNAISWMN-VXLYETTFSA-N	420.219	3.437	50	40	HGGB	
Nc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	33927696	LTDRKSIIRRNLOL-QRVIBDJDSA-N	404.382	3.160	50	40	HGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O	102090828	BEZSWWFGVBWAEZ-BUXKBTBVSA-N	414.417	3.267	50	40	HGGB	
Cc1ccc2nc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)sc2c1	408677284	BMRDWDUCTRGNIG-SJSAEFMNSA-N	407.289	3.114	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(N)=O	409217800	BSOYQVNEODBYBL-NTUHNPAUSA-N	417.824	3.288	50	40	HGGB	
N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	2200432	OWNGBTPJIFAMMP-OBGWFSINSA-N	420.494	3.023	50	40	HGGB	
COC(=O)[C@@H]([C@H](Br)C(=O)c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	4409355	ODIJROLPAWOZGU-JYJNAYRXSA-N	406.232	3.440	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21	6246649	NVNOYLHLOJADJC-ZMOGYAJESA-N	423.469	3.294	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1	16508574	INGSUTNHFAHLHB-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1OC	59502273	KAJLGHCMSNJKBP-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
O=C(COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1	409253985	CMKNBFCETPMQNA-UCQKPKSFSA-N	418.409	3.376	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC	2249331	ONDDNEWRNICPLR-HXUWFJFHSA-N	419.437	3.033	50	40	HGGB	
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc3c(c2)OCO3)N2NC=C(C#N)C2=N1	9481974	VLPYRKLZWZCIKC-NRFANRHFSA-N	413.437	3.317	50	40	HGGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nn(CCO)c(N)c1C#N	12374707	PNJLDPUWRDDYCA-UKTHLTGXSA-N	424.258	3.416	50	40	HGGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CSc1nc2ccccc2s1	15891597	BMLNSBUKYCXQEA-LLVKDONJSA-N	405.476	3.142	50	40	HGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O	20086712	BEZSWWFGVBWAEZ-CWTRNNRKSA-N	414.417	3.267	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccco1	1435325	DKGQPXHOKVZGOO-RXULLKCLSA-N	408.410	3.081	50	40	HGGB	
NC(=O)COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	8452597	HFFQCZQHWCLXFC-FOKLQQMPSA-N	424.284	3.167	50	40	HGGB	
CCn1c2ccccc2c2ccc([C@@H]3C(C#N)=C(N)Oc4c3oc(CO)cc4=O)cc21	8763220	UOBWMTVBJBIJQT-OAQYLSRUSA-N	413.433	3.478	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(O)c4)CC(=O)N32)cc1OC	12275190	LCURLRLVMSYLHJ-ZHRRBRCNSA-N	424.478	3.053	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1OC	12276327	NHEKHACVOXRXGW-MOPGFXCFSA-N	408.479	3.366	50	40	HGGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1	408878481	BDVUMHJHTQAQQT-UHFFFAOYSA-N	400.504	3.103	50	40	HGGB	
COc1cc(Br)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC	409204893	LQJCAXUVADPZTK-VPNURPJOSA-N	402.248	3.224	50	40	HGGB	
CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCCBr	4066391	UAROJXNYPOZUOE-INIZCTEOSA-N	411.296	3.432	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(Br)cc1O	108243598	XHEADFHNMNEUPZ-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1	408773874	JNHIDSOADLJWDX-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(F)c1	409124144	JHPQCGBAIPUUJC-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O	409141011	GQNFAEMNINVZGL-FQEVSTJZSA-N	411.502	3.086	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(C)c(C)c1	11690313	BUOFGFYBBAYXQJ-PAYQVUOSSA-N	421.522	3.484	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F	16991626	JKCOZIOLZLVWSD-RNIAWFEPSA-N	418.469	3.079	50	40	HGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cc(Br)cs1	36288154	GSRHIVRYUHOMSH-DEDYPNTBSA-N	421.364	3.173	50	40	HGGB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1	100281277	VIDLUBVUYIZWEN-JXAWBTAJSA-N	404.297	3.432	50	40	HGGB	
COc1cc(C(=O)N/N=C\c2ccc(F)c(Br)c2)cc(OC)c1OC	104836718	IZECQHLVZIMDHM-UKWGHVSLSA-N	411.227	3.378	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409004077	AIJSJLUWIPSNLL-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	409251157	ZXRKHFPFDLVEHX-DJKKODMXSA-N	423.336	3.497	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O	4119116	IKQLYMPCVXYHMQ-AFUMVMLFSA-N	415.449	3.409	50	40	HGGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4c[nH]c5ccccc45)c(=O)c23)C1	4464224	FMWUYRBOMKXHLP-UTJKBXCSSA-N	419.510	3.214	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31637216	LQOGTLWBGYHVFS-GACBQCINSA-N	418.469	3.079	50	40	HGGB	
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC=C(C#N)CC3)CC2)c1C	95452992	WSNDEVSJNGSBLN-UHFFFAOYSA-N	415.559	3.003	50	40	HGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cc3ccccc3cc2O)cc1	100522636	HVSREJURLIINMI-MFKUBSTISA-N	405.454	3.366	50	40	HGGB	
C[C@]12[C@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42	169559542	YYOJUCRKMCIPST-AEDSEYDFSA-N	412.052	3.371	50	40	HGGB	
NNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(I)c1	216820301	UICNDAAKXAOQQW-UHFFFAOYSA-N	402.619	3.127	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	1917602	ULSIIPPDYNUTML-GZTJUZNOSA-N	422.437	3.141	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1O	5127561	DDEZLMDPHHQINA-ZMOGYAJESA-N	401.422	3.019	50	40	HGGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc(Cl)cc(Cl)c1O	5774939	XAGCYJIPLNNTDH-BMZJSHLCSA-N	406.269	3.165	50	40	HGGB	
CN(CC(=O)N/N=C/c1ccc(Br)cc1)C(=O)OCc1ccccc1	6178112	HXHORQNGDBKUIU-RGVLZGJSSA-N	404.264	3.168	50	40	HGGB	
N#C/C(=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)NCc1ccco1	6672409	KAVZUSJTZOYNSP-CCEZHUSRSA-N	404.392	3.144	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	15945328	BRLWAWAOWVNYGK-DJKKODMXSA-N	422.235	3.415	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c(C)c1	20208193	GOAGPSBXSZUTKP-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O	36656915	YEUCWBVTGLCIJJ-UFFVCSGVSA-N	401.419	3.153	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Br)c1OC	408528053	QPQWWVYYAXNSDD-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OCC	408766357	UQMQAZYDOQMIGR-NTEUORMPSA-N	409.280	3.012	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c(F)c1	408965402	GXIBODBXDOQHOO-VULFUBBASA-N	416.412	3.479	50	40	HGGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2C1	12993363	KOHFCZIJCOUTTG-NSHDSACASA-N	415.540	3.382	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)cc(Br)c1O	30838773	SCVBEAZDYVVQHP-UKWGHVSLSA-N	407.264	3.309	50	40	HGGB	
Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccncc2)n1	33305163	JHQLOJLKHKPCMY-NHDPSOOVSA-N	408.443	3.312	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275941	PWVQQQOJIHFYOW-PGRDOPGGSA-N	408.479	3.347	50	40	HGGB	
O=C(CN1C(=O)/C(=N/NC(=O)Nc2ccccc2)c2ccccc21)Nc1ccccc1	13550260	MWVNHHJWZUUNMQ-YYADALCUSA-N	413.437	3.198	50	40	HGGB	
CCCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19830971	FSIVLYANLFPKSC-SIKLNZKXSA-N	417.513	3.229	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C\c2cc(I)ccc2O)c1C	30838779	VKPVRKUJEKCTSS-OCKHKDLRSA-N	424.238	3.143	50	40	HGGB	
CCn1c(NNC(=O)/C=C/c2ccc(Br)cc2)nc2ccccc2c1=O	32754792	VLXVKYACBNJSLM-FMIVXFBMSA-N	413.275	3.335	50	40	HGGB	
COc1ccccc1OCc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)o1	40144163	VWPFAYKOCGAOIS-UHFFFAOYSA-N	412.467	3.492	50	40	HGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c1C#N	409005536	FANLINYCCXUVLO-WYMPLXKRSA-N	404.426	3.197	50	40	HGGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F	2364800	WKZRMEPACMLVJS-LBPRGKRZSA-N	406.710	3.294	50	40	HGGB	
Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1	6826046	YMQUAHYJAGDINF-UHFFFAOYSA-N	412.298	3.016	50	40	HGGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccccc4OC)CC(=O)N32)c1	12276015	ZYUVYRJFCFUPAM-VGSWGCGISA-N	408.479	3.347	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21	13424460	PICCSZSBCQPFMJ-BOPFTXTBSA-N	403.438	3.046	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	59246435	KEZVYRRGLGFDDZ-FMCGGJTJSA-N	422.312	3.355	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1	59459734	HUIZQTKPEIUHNF-HYARGMPZSA-N	404.382	3.476	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(C)c1	216038174	HQEIAWSJTHMNIO-OCKHKDLRSA-N	406.236	3.373	50	40	HGGB	
NNC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1	226328819	PDRLPLHFFGKTAR-UHFFFAOYSA-N	400.070	3.394	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccs2)c2ccccc2)cc1	408838219	SPUZWIVEIVLSCF-KGENOOAVSA-N	413.524	3.402	50	40	HGGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1	409218948	YUZGEBMSTBUTDD-IWIPYMOSSA-N	404.470	3.190	50	40	HGGB	
CCc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	9126851	OPEJEZPTWFNHSH-UHFFFAOYSA-N	423.494	3.125	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl	408613477	ZVDKGVHGRAFDRP-XMTZNVEYSA-N	417.893	3.292	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1	409185654	OCKAIULWWXSUHP-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	2271715	ZEEUVCFFLINQOF-KRWDZBQOSA-N	402.834	3.084	50	40	HGGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCCOc1ccccc1	4207640	ARTMULYHOXHFSI-CIAFOILYSA-N	422.279	3.308	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCC1)c1cccc(Br)c1	20209765	KPLPZFKIJMNHPG-UHFFFAOYSA-N	416.341	3.042	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)c2cc(C)nc3c2nc2n3CCCCC2)cc1C	39554770	ZCLNUBRDFPJKDI-UHFFFAOYSA-N	411.531	3.473	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cccc1[N+](=O)[O-]	408827370	GVCXNWHRAWHOTQ-WSDLNYQXSA-N	413.430	3.388	50	40	HGGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/N=C(\N)c1cncc(Cl)n1	4117000	OBNBIBMRRXTGGT-NUGSKGIGSA-N	413.740	3.462	50	40	HGGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CCCCCC2)c2ccccc21	5014779	WNJLUNDCBYVVHL-NBVRZTHBSA-N	422.529	3.150	50	40	HGGB	
COCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2	8973530	UIGJMVMUNLFTDA-FQEVSTJZSA-N	418.453	3.362	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)cc2)N1C(=O)CCl	11692275	OVIYQPRIMZNGHW-GHTZIAJQSA-N	412.873	3.431	50	40	HGGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248574	VZAIIGDZELSSFB-SNVBAGLBSA-N	404.289	3.402	50	40	HGGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	33618997	USMUFRYCAZUBJF-ODLFYWEKSA-N	405.252	3.116	50	40	HGGB	
COc1cc(/C=N/NC(=O)CCC(=O)Nc2c(C)cccc2C)cc(OC)c1OC	59483834	YTYYYAPSIFPMNB-YDZHTSKRSA-N	413.474	3.198	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1OC	409004050	ADLRFYIMTAMPJB-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
CC(C)c1ccc(-c2csc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1	575425432	DVXHMNXOASOHLQ-UKRRQHHQSA-N	413.952	3.459	50	40	HGGB	
C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2128451	TUAGWFBGIWOLKG-IBGZPJMESA-N	410.813	3.307	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1	5595286	BGOMNZQIZWRIKJ-NBVRZTHBSA-N	414.465	3.046	50	40	HGGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CN1C[C@@H](c2ccccc2)CC1=O	16194599	KKHPTOGRABLGJF-MQEPLNOPSA-N	420.296	3.468	50	40	HGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccco1)C(=O)NCCCn1ccnc1	26966483	UZVFRGXXPQVNJR-NBVRZTHBSA-N	412.453	3.442	50	40	HGGB	
Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c1O	30735352	LAXWHELJQPEQQM-NLIBPXKJSA-N	413.430	3.196	50	40	HGGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2)cc1	408924642	KZTXBJRCLVTLQU-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	4499483	GBUYZRRLALPJJD-BUVRLJJBSA-N	417.421	3.354	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1ccc(C(=O)O)cc1	4739226	SIDGSZGVLPVALQ-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
COc1ccc2c(CC(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)coc2c1	7737785	VBOFBBYCIUHBHI-UHFFFAOYSA-N	403.394	3.369	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10476112	NMAGMYOTVQMHOD-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(OC)cc2)C(=O)N1c1cc(C)ccc1C	36635933	XFWDFGARVMEKPB-SXKRPYPPSA-N	421.522	3.484	50	40	HGGB	
CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(Cl)cc1)c1ccc(OC)cc1	59490226	FCUZEKCKQVGPBW-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(OCC)c1	408606831	QUPZVBKSHCWRFM-QGZVFWFLSA-N	414.487	3.042	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1cc(Cl)cc(Cl)c1	408785156	YFNBYZADRWUJMB-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC	408810767	JMVSPNAHESHZFE-KFSXAOBBSA-N	400.475	3.239	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1	408997286	MMHIQQTZTLWICQ-RGVLZGJSSA-N	423.341	3.112	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2O)c1C	409391256	ILSJJBWEFNPZFG-ZMOGYAJESA-N	421.453	3.359	50	40	HGGB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(Cl)cccc1Cl	2750950	FBTLUYCZOOKQKS-UFWORHAWSA-N	420.705	3.075	50	40	HGGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)COc1ccccc1Br	3079806	LPGGPZYFCQWPNY-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	8103016	ZLIIEOYOBGPSRL-LPYMAVHISA-N	407.382	3.334	50	40	HGGB	
COCc1cc(C)nc2sc(C(=O)N/N=C/c3cnn(C)c3)c(-n3cccc3)c12	78547551	MPLAKVPPSYCNOG-ZVBGSRNCSA-N	408.487	3.039	50	40	HGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1	674694	LZESLNKTSPVQKW-UHFFFAOYSA-N	409.486	3.173	50	40	HGGB	
CCCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1	2656268	WFTLSTKENCADQV-OAQYLSRUSA-N	417.465	3.195	50	40	HGGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCC(C)C)cc2)cc1	408801827	CDEMJKPIFHHWKO-LDADJPATSA-N	407.470	3.392	50	40	HGGB	
CCOC(=O)/C(=C/NNC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1	408891690	BICOESUUJUWCKW-GHRIWEEISA-N	420.387	3.199	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-]	1861291	FZFBFFJCVVQTPM-MRXNPFEDSA-N	423.450	3.410	50	40	HGGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1ccc2c(c1)OCO2	4815578	LQRWPLHUUMRCKA-FSJBWODESA-N	404.378	3.104	50	40	HGGB	
Cn1/c(=N/NC(=O)c2ccccc2I)sc2ccccc21	5694614	WXSOYLYRKZPILR-SDXDJHTJSA-N	409.252	3.090	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1	6476436	LSIOOCOMSNRBQQ-LJQANCHMSA-N	421.522	3.392	50	40	HGGB	
Cn1c(Cc2cccs2)nnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1	8327334	XORIQABYOSLTGI-UHFFFAOYSA-N	408.512	3.401	50	40	HGGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	10470062	GPUQLMKDQSMAHF-IBGZPJMESA-N	419.591	3.499	50	40	HGGB	
COc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21	46085006	BUDSJJIVAFHGNX-FLFQWRMESA-N	401.422	3.082	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912458	LQBAYUQTAURYEF-SSDVNMTOSA-N	407.301	3.473	50	40	HGGB	
O=C(CC(=O)N/N=C\c1ccc(OCc2ccccc2)cc1)NCc1ccccc1	59444819	AUONKCHKOUTKHE-ONUIUJJFSA-N	401.466	3.422	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1	225584333	VLPKQCCRHBLLBM-BWPNAZKDSA-N	414.502	3.320	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1	225591876	PTWCJPFXFLLWTL-ACPUWCFLSA-N	416.543	3.183	50	40	HGGB	
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCCC3)c3ccccc32)cc1	2448077	DGHMNGCMZQPMHV-LVWGJNHUSA-N	419.529	3.067	50	40	HGGB	
O=C(COc1cccc(F)c1)NNC(=O)c1cc(Br)ccc1Cl	2627841	NHODQHGZRMSWFC-UHFFFAOYSA-N	401.619	3.082	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC	5724626	OSPUMXYFVOYRSF-NRFANRHFSA-N	402.454	3.475	50	40	HGGB	
CSc1nc(C)cc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)n1	12446241	MMBNQFSGCMXXEW-BUBCDMBBSA-N	421.320	3.424	50	40	HGGB	
COC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl	17176538	YBVRGDSNSXHFTJ-GNFOSXPUSA-N	408.241	3.284	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C	98086502	DPUZVWRKUNUJFU-XSFVSMFZSA-N	419.481	3.087	50	40	HGGB	
O=C(NCc1ccco1)[C@H]1CCCN1CCP(=O)(c1ccccc1)c1ccccc1	102791629	OVDNHNZNMQXLHN-HSZRJFAPSA-N	422.465	3.374	50	40	HGGB	
O=[N+]([O-])c1ccc(N/N=C2\[C@@H]3[C@H]4[C@H]5[C@@H](Br)[C@@H]6[C@@H]4C[C@@H]3[C@@H]6[C@H]25)c([N+](=O)[O-])c1	104202612	NQFULNLZXDXRAN-RYWZPUQTSA-N	419.235	3.422	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cc2cc(Cl)ccc2o1	409021637	RFWLHBAZNUGXSP-WSVATBPTSA-N	404.722	3.372	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC(=O)OC	409055402	YGFUGXCPRMNDDS-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OC	409137700	YHVKYJLCGYQKAW-CQSZACIVSA-N	405.252	3.106	50	40	HGGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccncc1	811438	KNMLUVMHXDVGLJ-QGMBQPNBSA-N	413.069	3.379	50	40	HGGB	
O=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	6084255	GOQDFAYESXYDOV-UHFFFAOYSA-N	401.633	3.265	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br	8336669	SHRZIEHTWXHTPW-QGMBQPNBSA-N	409.309	3.107	50	40	HGGB	
C[C@H](OC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)NNC(=O)c1ccccc1	9454600	KIEKGWLQGTYQMI-CABCVRRESA-N	419.481	3.299	50	40	HGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	30821994	GYOUVIIFTLIKAT-SVKBEJCWSA-N	416.390	3.251	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1	31858928	VUSLUJNAAXIDHT-ICXMQADFSA-N	410.499	3.057	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(F)c1	408965158	GPKVZHADFQSEGP-VULFUBBASA-N	416.412	3.479	50	40	HGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	408981140	UVIQBZSGTZWEKP-RASHHNMQSA-N	415.449	3.427	50	40	HGGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	2439167	QUGRSTPGAFPXDS-MADCSZMMSA-N	410.282	3.133	50	40	HGGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	6338469	FBKUWJYFCXWDBP-ZVHZXABRSA-N	401.422	3.360	50	40	HGGB	
CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	6958047	FEZRMWHQMIEQDJ-AWQFTUOYSA-N	408.911	3.397	50	40	HGGB	
Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccccc3Br)c2C)c1	13011651	BWANHTALSSKRJF-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	36011511	VMEUCBWHXUKLTB-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
CSc1nccn1-c1cccc(C(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1	40135715	GPAYNHWKOKEXKX-UHFFFAOYSA-N	410.499	3.456	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)NCCc1ccccc1	58882837	QFZJZBHRRMMOJZ-ONUIUJJFSA-N	401.466	3.188	50	40	HGGB	
CCOc1ccccc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(Cl)cc1	409118531	QZETUIMLYFUAME-UHFFFAOYSA-N	423.922	3.446	50	40	HGGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409267582	OFFGJESNVNRBQE-IEKMCCSYSA-N	405.376	3.217	50	40	HGGB	
O=C(CCCC[C@H]1CCSS1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	524729958	PHRWJQGFTPBUQX-SQNIBIBYSA-N	421.632	3.098	50	40	HGGB	biogenic
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccs3)c2)cc1	5163401	MCRAQCWGSQDOSK-DEDYPNTBSA-N	415.496	3.321	50	40	HGGB	
O=C(NNC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cc2ccccc2cc1O	12764553	PIFOUDHMOXBKRX-KRWDZBQOSA-N	406.438	3.178	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1OCC	14251688	YUFIREFOAPGOJK-UHFFFAOYSA-N	416.474	3.356	50	40	HGGB	
CCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2C)n1	28287084	LQTJBOTWYPHRHK-UHFFFAOYSA-N	409.309	3.124	50	40	HGGB	
Cc1c(/C=N\NC(=O)CN2CCOCC2)c2ccccc2n1Cc1ccc(Cl)cc1	59246511	VWVMKSFSNPOYGB-QFEZKATASA-N	424.932	3.434	50	40	HGGB	
CC(C)(C)c1cc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)[nH]n1	101658201	INGAINRIXRYZCH-QOMWVZHYSA-N	401.470	3.388	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1	408706494	AEAPDAJQAQHIBB-SSDVNMTOSA-N	417.307	3.396	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccc(F)cc1	408783497	LWKZNAAXKKRFCY-ZMOGYAJESA-N	407.401	3.313	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1	2349769	JWEXVJGBLPTYBS-FQEVSTJZSA-N	403.438	3.415	50	40	HGGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1	29771513	FVNFIQICWYVLDZ-UHFFFAOYSA-N	422.466	3.341	50	40	HGGB	
N#CC1=C(S)NC(=O)[C@H]([n+]2ccc(-c3ccncc3)cc2)[C@@H]1c1ccc(F)cc1	2350565	ULUULDJKEUDMOF-WOJBJXKFSA-O	403.462	3.295	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccc(Cl)cc1	104833441	BYWVEJXLPJZTRG-PUHATCMVSA-N	415.884	3.054	50	40	HGGB	
CCOc1ccccc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(C)cc1	408780752	JODZLVYBACQYFG-UHFFFAOYSA-N	403.504	3.101	50	40	HGGB	
CCOC(=O)COc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC	409210161	ILBVMPBZZLWIJY-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	3572399	XVBRPDPZGPWFQX-YSURURNPSA-N	424.379	3.124	50	40	HGGB	
CCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2C)c2cc(OC)ccc21	16818960	YKXQHBWVRKSJOR-GFMRDNFCSA-N	415.877	3.313	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1	20207649	PPALJMZYRKKYAT-PXLXIMEGSA-N	417.531	3.090	50	40	HGGB	
N#CCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	30814001	LCFCUZDAMUFLLA-FBHDLOMBSA-N	416.231	3.090	50	40	HGGB	
Cc1n[nH]c(-c2cccc(CNS(=O)(=O)c3ccc(CCCCl)cc3)c2)n1	89497068	VEVMMLBTXDZFLY-UHFFFAOYSA-N	404.923	3.430	50	40	HGGB	
COc1ccc(C(=O)CSC2=C(C#N)C3(CCCC3)[C@H](C#N)C(=O)N2)cc1OC	989351	CPBJVBGPMQFXTH-CQSZACIVSA-N	411.483	3.185	50	40	HGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	2052910	BSGSJHSZBTVHIW-KEBDBYFISA-N	416.390	3.035	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	2275097	MWHAZKBLNVIWKC-GOSISDBHSA-N	404.422	3.255	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Cl	59248816	BBVPZZWPVASBEN-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
CCS(=O)(=O)[C@H](I)C(=O)c1ccc(Cl)cc1Cl	96517969	GXLFYIPLHFSZPY-JTQLQIEISA-N	407.056	3.372	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409187754	BINBUDYJWVMLFX-ZROIWOOFSA-N	421.291	3.357	50	40	HGGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C(F)(F)F)cc3)CC2=O)cc1	409267581	OFFGJESNVNRBQE-DBJNPDTESA-N	405.376	3.217	50	40	HGGB	
O=C(NNc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1	5774544	RRMPBEIVFYUJRN-UHFFFAOYSA-N	400.435	3.262	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1	6501925	ARPLVLWHGXFPRE-UHFFFAOYSA-N	417.421	3.051	50	40	HGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccc2ccccc12)S(C)(=O)=O	19955473	YCXMRXABCFXOIH-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc3c(c2)OCO3)c(Br)c1	30900888	FMKLKLSTBGKQHA-ZBKNUEDVSA-N	405.248	3.324	50	40	HGGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1	408692877	XMQAXUHFNVORGT-FOKLQQMPSA-N	412.377	3.468	50	40	HGGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)cc(OC)c1OCC(=O)O	408856693	JRRLXDSSIJXYAL-JJFYIABZSA-N	401.394	3.182	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCC(=O)O	409228415	YRSXBORGYUXFFI-YVNNLAQVSA-N	408.813	3.034	50	40	HGGB	
COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3C(F)(F)F)CC2=O)cc1	2403658	XLJQDCHGTVOFCX-VXHUXDJESA-N	405.376	3.217	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1O	4784690	BZMQGEKSZPNDJU-VCHYOVAHSA-N	410.211	3.159	50	40	HGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1	4813972	ACAKVZKRBIOYHA-SRRANQMSSA-N	401.419	3.352	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c(OC)c1OC	9187710	LEBAKIIKYJGYRE-INIZCTEOSA-N	422.416	3.460	50	40	HGGB	
CC[C@H](C)N1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)NC1=S	9244653	YTRFUPJVVWKJTJ-HKJJFUAXSA-N	405.951	3.103	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O	19955485	JZWRLLMRHWBUNO-RELWKKBWSA-N	401.532	3.194	50	40	HGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1Br	20760116	QDPRJWVTLJQKRU-YBFXNURJSA-N	402.204	3.133	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc([N+](=O)[O-])c1O	36074006	GTUPRLVARUNVNA-QGMBQPNBSA-N	418.456	3.161	50	40	HGGB	
O=C(NNC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccccn1	40142846	ZZZMRAIOEPHVEW-UHFFFAOYSA-N	416.231	3.091	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1c(OC)ccc2ccccc12	408609138	YXQNQWAFHAMOGU-SFHVURJKSA-N	406.467	3.406	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1O	408726557	OMIMENJXJDZBTR-VXLYETTFSA-N	422.235	3.154	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC	408810758	JMVSPNAHESHZFE-GYTXZQQPSA-N	400.475	3.239	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccn3)c2C)cc1Cl	408971716	POFYCMGGUPVJGS-RPPGKUMJSA-N	423.904	3.217	50	40	HGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1	1302258	RGZDXTUNHSKQNB-PKOBYXMFSA-N	422.876	3.384	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC	13424408	VUJVBRMJGUGLSY-SXGWCWSVSA-N	420.425	3.359	50	40	HGGB	
CCCCNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409323105	NGERBJDVMHXCHK-AWEZNQCLSA-N	422.348	3.437	50	40	HGGB	
O=C(NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1	2316588	TZYRNNHOLMAZMT-UHFFFAOYSA-N	416.462	3.444	50	40	HGGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)c(Cl)c2)CC(=O)N1	6325196	JMPJAAPHTDGMMT-CYBMUJFWSA-N	407.923	3.289	50	40	HGGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1	6602532	FEFDGRAZKKESPH-FQEVSTJZSA-N	418.453	3.040	50	40	HGGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	8449303	KNGOOYFGULOOHX-BCFCROPCSA-N	417.072	3.108	50	40	HGGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C/c1ccccc1O	14186192	UFGJXACNHIXVJI-HZHRSRAPSA-N	423.494	3.122	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1cccc(F)c1)C(=O)N/N=C\c1cccc(F)c1	38799105	FWGNXZBVSQOWTR-NWTDOYTESA-N	418.469	3.075	50	40	HGGB	
CNC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C	103163052	XVSGAGBRNAYWOJ-NRZXQICZSA-N	417.967	3.418	50	40	HGGB	
Nc1nonc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408973480	BCQFECWOXNEHTI-QPJQQBGISA-N	424.219	3.441	50	40	HGGB	
COc1ccc(CC(=O)N[C@@H](C)C(=O)N/N=C/c2cn(C(C)C)c3ccccc23)cc1	409167343	IDHCHNSGDYFBSR-YSGZUTGPSA-N	420.513	3.428	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1I	919113	DOQPGHCZSANRJU-VXLYETTFSA-N	424.238	3.137	50	40	HGGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(I)cc1	5289293	XOPAOBNUERJGQP-LICLKQGHSA-N	409.183	3.353	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1	6693254	FBKFCXHTVAFRNV-LDADJPATSA-N	407.470	3.392	50	40	HGGB	
O=C(CCSc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58916036	JSILXFRCPUXDED-RCCKNPSSSA-N	414.487	3.064	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(C(=O)O)cc1	59148726	PYMSNGFTRRWUQR-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(=O)O	409228438	AFTSFHVNWWQPGU-UYRXBGFRSA-N	408.454	3.205	50	40	HGGB	
COc1cccc(OCC(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1	869520	YHAMROZKXCOSMX-UHFFFAOYSA-N	415.833	3.152	50	40	HGGB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc2c(s1)CCCCC2	8167223	IFPVHZXBQRJQBF-KRWDZBQOSA-N	415.540	3.281	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccccc1F	12811441	DDOCOQWRHIPUGN-SNVBAGLBSA-N	401.221	3.126	50	40	HGGB	
C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1	17089099	NRTICIPNUZGOTP-SNVBAGLBSA-N	412.324	3.234	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1Cl	408641917	LJYVMLFNFFHMNS-GFCCVEGCSA-N	406.269	3.116	50	40	HGGB	
O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409006424	NTMWYQIIKYGIBE-YDZHTSKRSA-N	413.861	3.041	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)cc1	409226888	WLCPXFUIFPYBNY-RIYZIHGNSA-N	414.259	3.167	50	40	HGGB	
O=C(CCCC[C@@H]1CCSS1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	524729957	PHRWJQGFTPBUQX-FGTMMUONSA-N	421.632	3.098	50	40	HGGB	biogenic
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCc1cccnc1	832424	BPODAJFAHVLADL-DEDYPNTBSA-N	412.449	3.322	50	40	HGGB	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	3327609	WCDVPIWOPWJBPZ-JOCHJYFZSA-N	402.450	3.196	50	40	HGGB	
C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)OCCO2	6512579	FVJLMYADFWXVSN-UDWIEESQSA-N	405.248	3.140	50	40	HGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)c1ccccc1	28214935	GRTXCQFJDQGIAJ-SCELWYEFSA-N	402.454	3.102	50	40	HGGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O	408873316	SSPVDNOPWKMBIW-SSDVNMTOSA-N	421.950	3.490	50	40	HGGB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	585145849	XSEWQIKGZVRHGT-TZMBUAQYSA-N	401.466	3.465	50	40	HGGB	
O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc(Br)ccc1O	1228371	PIFFQYVWHCMZKT-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cn1	1444723	HUEIKRKXZOVNDM-FSJBWODESA-N	404.382	3.281	50	40	HGGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)c1cccc(Cl)c1	2357558	FQVGCLAAYRZBPM-CYBMUJFWSA-N	412.660	3.213	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3c(C)cccc3s2)cc1	4121287	JBAQILCZTJMFNQ-UHFFFAOYSA-N	418.544	3.392	50	40	HGGB	
CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1	9849237	FJYBXCTWYANJJK-IBGZPJMESA-N	422.510	3.450	50	40	HGGB	
Cc1csc(CC(=O)NNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)n1	12599352	BJIVKBIBUYVACU-UHFFFAOYSA-N	423.523	3.369	50	40	HGGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1	26625078	GAODHHCJNXVAQS-GFCCVEGCSA-N	406.269	3.116	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	35131422	NFWXOYPUNZKIDZ-XKZIYDEJSA-N	415.833	3.352	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C	408587455	GBDGSRMLQICGOJ-DUYDGHCJSA-N	422.441	3.195	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl	408612210	UNLRAHXNMIZXDN-BHGWPJFGSA-N	421.856	3.043	50	40	HGGB	
Cc1c(C(=O)N/N=C\c2c(O)ccc3ccccc23)nn(-c2ccccc2)c(=O)c1C#N	409060457	VLWPCMMMSIAXEX-WGARJPEWSA-N	423.432	3.035	50	40	HGGB	
CC1(C)[C@]2(C(N)=O)CC[C@@]1(C(Br)Br)[C@H]2Br	4277160	WRGBBEYNVBRDQZ-ZVCUKBJDSA-N	403.940	3.158	50	40	HGGB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12	35458709	YOWISNGQSRPIPP-XLDMSTKGSA-N	402.487	3.374	50	40	HGGB	biogenic,in-vitro
Cc1ccc(-n2nnc(C(=O)NNC(=O)c3ccc4ccccc4n3)c2C(C)C)cc1	40142823	MJIMDTWRJWPEPI-UHFFFAOYSA-N	414.469	3.322	50	40	HGGB	
CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(SC#N)cc1C	104371448	ZHVQQZDEWJDJCY-YBFXNURJSA-N	409.467	3.227	50	40	HGGB	
CC(C)CNC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	409315436	JLJCGNXDBFLAKQ-AWEZNQCLSA-N	422.348	3.293	50	40	HGGB	
CCOC(=O)c1c(NC(=O)[C@H](CC)SS(=O)(=O)O)sc2c1CCCC2	2188675	DTMSVTKJBGYCFJ-JTQLQIEISA-N	407.535	3.057	50	40	HGGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1O	4879727	KLRDGJCJOCRGHM-SSDVNMTOSA-N	406.398	3.499	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)NNC(=O)CSCc2ccccc2C)cc1	13323943	ZYWBGHDFARPODA-UHFFFAOYSA-N	401.488	3.258	50	40	HGGB	
O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1ccccc1	96429642	DWFOADJKQXTACW-ATJXCDBQSA-N	400.394	3.276	50	40	HGGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Br)cc4)[C@@H]3[C@@H]1CC2	100707768	JQOWUEPPUWFFJG-QZHFEQFPSA-N	420.314	3.335	50	40	HGGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)C(C)(C)C)c2ccccc2)cc1	408782227	FXMKWHPUBYHHON-CJLVFECKSA-N	417.531	3.429	50	40	HGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1)c1ccccc1	409000818	YPJUZSBJLBCVMF-BFTVFPACSA-N	419.865	3.382	50	40	HGGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)C)c2cccc(Cl)c2)cc1	409119757	UFFHGRUFEFKWDW-UHFFFAOYSA-N	409.895	3.056	50	40	HGGB	
CCCc1n[nH]c2c1[C@H](c1cccc(I)c1)C(C#N)=C(N)O2	1438040	KAUMOIJATPMCIM-CYBMUJFWSA-N	406.227	3.185	50	40	HGGB	
O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1ccc(Br)cc1	3152073	BOSDXZMFZIKRGL-VXLYETTFSA-N	406.305	3.271	50	40	HGGB	
N#CC(C(=O)COC(=O)Cc1ccc(Br)cc1)=C1Nc2ccccc2N1	3274202	SOOSGZMDTIRQAO-UHFFFAOYSA-N	412.243	3.377	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1	12556852	KCLFYMBNXLXEAI-UHFFFAOYSA-N	416.890	3.088	50	40	HGGB	
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1cc2c(s1)CCCC2	14245825	ZQCNHXDWGHOCJA-UHFFFAOYSA-N	415.334	3.013	50	40	HGGB	
COc1cccc(/C(C)=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1	20065845	AAHNJTHOQVAICM-ULJHMMPZSA-N	414.937	3.007	50	40	HGGB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1	103918308	SJLWCAQHBOBJTK-RGEXLXHISA-N	407.430	3.306	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1Br	408967020	OTJQADIQNKYTSY-ZVBGSRNCSA-N	406.211	3.241	50	40	HGGB	
COc1ncccc1C(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	12919257	AWKYQRUNXGKMEZ-UHFFFAOYSA-N	413.437	3.018	50	40	HGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl	100509670	PAQCWWPXFSYIBN-WSDLNYQXSA-N	417.853	3.449	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1O	409312803	MPZYYCVSPHUPBO-VXLYETTFSA-N	424.238	3.468	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)N1CCCC1	883589	YHKDGYPNDHRVTC-SFQUDFHCSA-N	402.454	3.080	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c1O	2361299	OAHWLKKTHSVLRT-MFKUBSTISA-N	404.466	3.404	50	40	HGGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)C1CCCCC1)OCO3	4849550	DKONMGLHSMVGKU-UHFFFAOYSA-N	415.515	3.346	50	40	HGGB	
CCOC(=O)/C(=C/NNC(=O)c1ccccc1Br)C(=O)c1ccccc1	408893835	NPAKGMIQQUQGNP-NTCAYCPXSA-N	417.259	3.013	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c1	882957	WZWVGGMIGBMIIV-UHFFFAOYSA-N	421.526	3.098	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Br)cc1	1085231	UIINPEXPMDUSAD-UKTHLTGXSA-N	401.216	3.458	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	2204773	AAMVWQJDIATHAC-MRXNPFEDSA-N	406.269	3.328	50	40	HGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N2CCOCC2)cc1	3209812	UAPXIUVIAHZSKC-DHRITJCHSA-N	406.408	3.104	50	40	HGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	4942360	GHVFJYNSQNYBRW-INIZCTEOSA-N	408.439	3.305	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCC(=O)O	6566059	FPTYCMHZXFMSAZ-KEBDBYFISA-N	421.247	3.075	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	6803949	PUWWQHRXMXRJQZ-FQEVSTJZSA-N	421.522	3.449	50	40	HGGB	
CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\Nc1ccc(OC(F)(F)F)cc1	9060946	SEFZJOICSZISOY-DISPHTKASA-N	421.375	3.269	50	40	HGGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1	32118751	QLZJKLKWTDCGER-UHFFFAOYSA-N	411.508	3.276	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	408602535	DPZQMOKVIQOJBW-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1	408608687	IFQMJYNTUDDHNI-FSJBWODESA-N	415.877	3.046	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)cc(I)c1O	408725305	GYHSZWYVBUNBPY-FPYGCLRLSA-N	422.016	3.229	50	40	HGGB	
CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409134539	VYZSJMIZMBZFCV-CQSZACIVSA-N	405.252	3.106	50	40	HGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1	1405550	KGYSXGKRQGJXAB-UHFFFAOYSA-N	415.496	3.025	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	4157185	ILIHAQRYFFVASO-WHCZJHEKSA-N	413.109	3.277	50	40	HGGB	
N#CC(C(=O)COC(=O)CSc1nc2ccccc2o1)=C1Nc2ccccc2N1	5970397	WWCJDECTESCFIS-UHFFFAOYSA-N	406.423	3.305	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C[C@H]1CCCO1	16023164	YFHGOCDJYPNNPH-FMRZMLBXSA-N	407.470	3.236	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)cc1NC(=O)c1ccco1	17445558	HJCFQFLVWDFVGS-UHFFFAOYSA-N	409.467	3.465	50	40	HGGB	
CCOc1ccccc1OCC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3	32795062	YUBCUOIOPHKRTC-UHFFFAOYSA-N	407.470	3.285	50	40	HGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O	102090833	BEZSWWFGVBWAEZ-BLVKFPJESA-N	414.417	3.267	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cccc(Br)c1	409320166	CDWGWICLKXEHCE-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(F)cc1	2135987	ORIQWMQUQSOYPP-UHFFFAOYSA-N	423.469	3.207	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2OC)cc1	6428526	FJAJIECWGWKYKE-MHWRWJLKSA-N	410.426	3.435	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	9014744	YAOZAGLFTADKTG-QGZVFWFLSA-N	423.450	3.410	50	40	HGGB	
CCCCCn1nc(C(=O)NNC(=O)c2cccc(C)c2C)c2ccccc2c1=O	14239831	LBLPEMXZLCGHHK-UHFFFAOYSA-N	406.486	3.278	50	40	HGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1	19953871	IYAKTDAKZMUBGY-HADWXUJASA-N	423.922	3.044	50	40	HGGB	
CCOc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc(OCC)c1OCC	3239086	JTUGJDUYINGWOF-WSDLNYQXSA-N	400.431	3.375	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccccc2OC)cc1Br	8182353	FFLWCVCXJQMXPX-UDWIEESQSA-N	407.264	3.386	50	40	HGGB	
NC(=O)N/N=C(/CCCCCC/C(=N\NC(N)=O)c1ccccc1)c1ccccc1	13142767	MTTFIFPOMXQPCT-GAHATOAQSA-N	408.506	3.472	50	40	HGGB	
CC(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1	20493214	RJPWDRWQSQGCCV-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCCO2)=N\NC(=O)c1cc2ccccc2cc1O	100522789	OXQJZRLIMUGTTI-AFUMVMLFSA-N	419.437	3.451	50	40	HGGB	
COc1ccccc1N1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O	102592572	TUVGWDJKRSPHGI-CKIJPRSSSA-N	417.097	3.122	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccccc1C#N	409008797	IIPCBWNVPVWTPQ-UFFVCSGVSA-N	402.248	3.378	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	1786117	QQHWNZJMYNWNAY-LFIBNONCSA-N	407.382	3.032	50	40	HGGB	
O=C(CCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc21	4051732	LKHRPAGTCNPVEX-SILNSSARSA-N	408.197	3.281	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OCC	6155380	WXXQJAUJOWGDHB-YDZHTSKRSA-N	413.861	3.473	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(O)cc3)c2C)n1	6964263	XHWCCTNKTUZJLP-SSDVNMTOSA-N	409.515	3.449	50	40	HGGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cs2)cc1	7828315	XMPRUJFGWWTEPX-UHFFFAOYSA-N	418.519	3.048	50	40	HGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914705	ZNEVOXUEOUHAPA-UUYOSTAYSA-N	422.397	3.261	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(I)ccc2O)c1C	72336373	VKPVRKUJEKCTSS-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
Cc1ccc(COc2ccc(/C=C/C(=O)NN)cc2I)cc1	226333225	OJRDEPGNEATDEB-VQHVLOKHSA-N	408.239	3.182	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(OC)c1	409006106	MAHPNHZWKWVRKQ-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(Cl)c1O	409255894	JHUPCTPBOWVPED-WYMPLXKRSA-N	417.893	3.334	50	40	HGGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1O	409392886	SUKVXSZCVYINNK-RGVLZGJSSA-N	405.248	3.492	50	40	HGGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1ccc([N+](=O)[O-])cc1	1472638	ZPCPZEXCEZVMTO-LPYMAVHISA-N	405.366	3.284	50	40	HGGB	
O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NNC(=O)c1ccccc1	4601851	KQMMFBXMARSQRD-UHFFFAOYSA-N	417.465	3.122	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)cc1	6428449	SJQVLXLKASWMBX-MHWRWJLKSA-N	410.426	3.435	50	40	HGGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1cc2c(s1)CCCC2	12772895	BPPNANAXKKZOBE-UHFFFAOYSA-N	422.510	3.073	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1	33566985	NAPPXEJEGSHBBB-FSJBWODESA-N	424.409	3.338	50	40	HGGB	
C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36042373	QKGUSYJTTALSEU-SVXRXWARSA-N	407.224	3.014	50	40	HGGB	
COc1ccc(C2=N[C@@](NC(=O)c3ccc(F)cc3)(C(Cl)Cl)C(=N)N2)cc1	101411701	UYXHBVKANBCWTP-GOSISDBHSA-N	409.248	3.091	50	40	HGGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NCCC(C)C	408707160	HJCHEKXSNNEPNB-ZMOGYAJESA-N	410.474	3.049	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCCO4)o2)cc1	409366307	UENYUDRSFMURQF-ZVHZXABRSA-N	420.421	3.197	50	40	HGGB	
N#Cc1ccc(OCc2cccc(C(=O)NNC(=S)NCc3ccccc3)c2)cc1	2794303	SVOPXBOEADRWEW-UHFFFAOYSA-N	416.506	3.446	50	40	HGGB	
CC(=O)C1=C(C)NC(SCC(=O)N2CCCCC2)=C(C#N)[C@H]1c1ccc(O)cc1	6348360	BIDMYDNKIDCQDJ-OAQYLSRUSA-N	411.527	3.423	50	40	HGGB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NNC(=O)CC(C)C)c1	10160208	VAMGFSQJNKHAQY-UHFFFAOYSA-N	410.449	3.494	50	40	HGGB	
C[C@@H](CBr)[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	253394015	ODBKDMBZQPUAAM-DOQAPGJGSA-N	411.360	3.229	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OCC)c1	408613357	ZHOYZQBEOSDZAD-AFUMVMLFSA-N	415.465	3.170	50	40	HGGB	
Cc1cc(C=NNC(=O)CC#N)c(C)n1-c1ccc(I)cc1	408741180	OHUUQHMEYYFEHN-UHFFFAOYSA-N	406.227	3.063	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccccc1C(F)(F)F)N(c1ccccc1)S(C)(=O)=O	408915316	ZMKWLLUXMCRYRM-UMYHVIPVSA-N	413.421	3.010	50	40	HGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1	409009671	BFSPTUCEMXSSPY-KEBDBYFISA-N	400.280	3.235	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Br)c1OC	409384113	ACSUVAQOKBRPLC-SRZZPIQSSA-N	412.328	3.229	50	40	HGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	919131	PAVJKUNTOGFRCW-OEAKJJBVSA-N	419.393	3.343	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1	1427224	AWNRKLNCVOMRKZ-OAHLLOKOSA-N	416.455	3.087	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)c1	4592787	VVKKUJVHRSLCGV-YVECIDJPSA-N	401.098	3.421	50	40	HGGB	
O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccc(Br)cc1	32124694	ZJYRJMWKWJHASQ-ZDLGFXPLSA-N	424.276	3.206	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)ccc21	38179203	AVPZCJYGZSZEAQ-AWQFTUOYSA-N	401.810	3.396	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408785105	XOYWKIKRIXZYER-HYARGMPZSA-N	417.531	3.125	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1Br	408809748	IOUNBSDOUSUMSK-ZBQKXELDSA-N	409.280	3.213	50	40	HGGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21	408812194	CNNLRLUOMADAIG-PDGQHHTCSA-N	417.465	3.436	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1	409248179	CJQPWKNUWIMCDY-DKSCHZSNSA-N	406.305	3.322	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)cc1	1081718	JXYCBXLSRKLQTI-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1cn(-c2ccccc2)nc1-c1ccccc1	3232414	WWCIHCCXHOGHAE-ZMOGYAJESA-N	414.421	3.420	50	40	HGGB	
Cn1c(CC(=O)NNC(=O)CSc2ccc3ccccc3c2)nc2ccccc21	5267654	WQKCBPQQGHZEQH-UHFFFAOYSA-N	404.495	3.209	50	40	HGGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	6455238	HGEFVQWIGQTODM-QGZVFWFLSA-N	423.513	3.197	50	40	HGGB	
O=C(CNc1ccccc1)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	9221118	DDYLDFHKACRIES-UHFFFAOYSA-N	411.465	3.412	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1	12754572	BHPUIWGXDKBKCH-UHFFFAOYSA-N	409.467	3.149	50	40	HGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2C1	12993362	KOHFCZIJCOUTTG-LLVKDONJSA-N	415.540	3.382	50	40	HGGB	
C/C(Cn1nccc1C)=N\NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1	17082203	DNTFSOUQZPYMOQ-MFKUBSTISA-N	401.474	3.348	50	40	HGGB	
CCN1c2ccccc2C2=C([C@@H](c3ccc(OC)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558397	NEPHGKQPDWNEIY-SFHVURJKSA-N	409.467	3.041	50	40	HGGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C\c1ccc(F)cc1	31783471	NARKXOCMIYCXRO-MYKKPKGFSA-N	406.442	3.414	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)o1	226769162	ZHWSDJKTFLSXIN-UHFFFAOYSA-N	420.381	3.110	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OCC	408727013	OFMSULHTJRUSHG-KOEQRZSOSA-N	423.513	3.246	50	40	HGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(Cl)cc1)S(C)(=O)=O	408784118	SYAMYLXNMMASGO-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
C=CCc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(OC)c1OCC(=O)O	408850115	GGEZDNJMUDCNMQ-SSDVNMTOSA-N	402.834	3.304	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408907507	POCYDIIRPYBRIY-JMMZKRSASA-N	417.531	3.170	50	40	HGGB	
O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	5024875	SPIZKDHEASNFTF-MBUMNQNDSA-N	418.453	3.114	50	40	HGGB	
CCOc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1O	7208083	OTOWTSNVMQWWNU-NBVRZTHBSA-N	417.469	3.272	50	40	HGGB	
C=CCc1ccccc1OCC(=O)N/N=C/c1cc(OC)cc(Br)c1O	8403043	RAWGHORVLCGSPP-SRZZPIQSSA-N	419.275	3.421	50	40	HGGB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)[nH]2)cc1	9199732	ZEBSPNSDNBXPCY-UHFFFAOYSA-N	409.515	3.323	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	19851559	YKSTWIIJZMMKPQ-ZMOGYAJESA-N	410.905	3.125	50	40	HGGB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N/N=C1\C[C@H]2CC[C@]1(C)C2(C)C	28915633	NGJGEZOOIPNHAW-LUIXYYMOSA-N	405.564	3.337	50	40	HGGB	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)NCC2CC2)c1	29820847	GKGZQVMDTYCMDY-UHFFFAOYSA-N	413.421	3.151	50	40	HGGB	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl	39350678	FCSHDIVRCWTZOX-CXSFZGCWSA-N	410.913	3.142	50	40	HGGB	biogenic
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1	58882860	AYTNWPRIYNZRQH-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1	408732511	WAOWMJCCRPSKGA-KGENOOAVSA-N	416.551	3.206	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	408772847	IILPHFJGNBHNFJ-XQNSMLJCSA-N	423.494	3.041	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(C)(=O)=O)c1C	408906010	CBJXONUPNPVSEH-OEAKJJBVSA-N	409.511	3.373	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)cc1Br	818606	YNCPDAJXCFZEER-INIZCTEOSA-N	423.263	3.111	50	40	HGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	942694	ORZRKPHIBQSETJ-UELRPHRMSA-N	410.451	3.283	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1920623	CLVUFJZKRUABCZ-UHFFFAOYSA-N	423.610	3.097	50	40	HGGB	
N#CC(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)=C1Nc2ccccc2N1	3279267	QZTKNWGCDLQHDT-UHFFFAOYSA-N	411.347	3.201	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)c2cc(Cl)ccc2O)c2cc(Br)ccc21	9763005	BJNIDECVPXUVSX-HKWRFOASSA-N	422.666	3.309	50	40	HGGB	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	23109483	GXZOWVWLSKQLJU-UHFFFAOYSA-N	421.840	3.371	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OC)cc(OC)c2)c(OC)c1	27563546	CDNYDQKPKSLLDM-RQZCQDPDSA-N	422.437	3.141	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cccc(C)c2)cc1	408774003	VDFMYRJXQCXQJG-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
CCc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)cc1	409366613	XBYFQCXKVJJRLH-GRSHGNNSSA-N	406.236	3.318	50	40	HGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2)s1	806044	QKGYMZZBGYWLMI-WSDLNYQXSA-N	418.482	3.273	50	40	HGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccco2)cc1	2097208	DSXSZGPOMQELRM-KQWQFICPSA-N	420.444	3.406	50	40	HGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1	6890138	JYGXDODGXVZWTR-HZHRSRAPSA-N	417.506	3.299	50	40	HGGB	
C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)/N=N/c1c(Cl)cc(Cl)cc1Cl	25580874	NSONNKLBVPSAIP-BUBUIDMZSA-N	420.604	3.411	50	40	HGGB	
COc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	40137550	DACMNHOCJIPWFG-LVWGJNHUSA-N	415.449	3.255	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)c2C)cc1	58913341	VZPSQWZATVROEE-ZVHZXABRSA-N	420.469	3.200	50	40	HGGB	
COc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1Br	226367870	OVJVASAXDWVKSR-UHFFFAOYSA-N	402.248	3.013	50	40	HGGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	229826770	QQSSEEPYPNQEEG-WXAGDZRUSA-N	401.532	3.179	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	408808706	FGZJUOYGEYRJSR-WSDLNYQXSA-N	408.414	3.185	50	40	HGGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)NC(N)=O	409251416	QDXIVALWFGVXBM-QPEQYQDCSA-N	418.222	3.269	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Cl)c1OCC(=O)O	409362864	KIXJGGMSFBNUOP-YVNNLAQVSA-N	404.850	3.122	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C(/c1ccccc1)c1nonc1N	4474261	OOZJILYSZOIGMQ-QSUUMFCUSA-N	401.426	3.141	50	40	HGGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1OC	5457463	DOIMVZMLRBALIV-SFHVURJKSA-N	404.426	3.408	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1O	8843161	HVXZFKMUWLENKE-XQNSMLJCSA-N	423.494	3.371	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	20100919	AHUPGMRRDPZLQQ-VXLYETTFSA-N	422.235	3.285	50	40	HGGB	
COc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccco2)cc1	409220329	WYQGNSYTYWUECW-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)cc1	409267594	OJVBQLATVORCQD-WSDLNYQXSA-N	423.381	3.414	50	40	HGGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	942743	IWWGTGPIYHZOOW-NTCAYCPXSA-N	410.480	3.490	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)Cc2ccccc2)c(C)n1CC(C)C	7981986	MZLVXWSOQVEMQM-CIAFOILYSA-N	421.497	3.097	50	40	HGGB	
CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl	12137593	DKRFJNFMFJSDIE-SFHVURJKSA-N	417.893	3.372	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C)c(C)c1C)S(C)(=O)=O	20208999	LOISETWBPNMGIE-LPYMAVHISA-N	401.532	3.091	50	40	HGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC)c(OC)c1)c1ccccc1	408977473	DPFQPYZHXSDNMV-MMTNMYCKSA-N	413.474	3.422	50	40	HGGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3O)cc2)c1	409065957	VIPRGXVHJLKVQI-OYKKKHCWSA-N	403.438	3.482	50	40	HGGB	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	9577671	FARWCJAUDCUCFV-ZDUSSCGKSA-N	409.402	3.297	50	40	HGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3C)c2)cc1	9704258	OUZFSQUVPWJVKB-UHFFFAOYSA-N	423.494	3.179	50	40	HGGB	
O=C(COc1cccc(Oc2ccccn2)c1)NNC(=O)c1cc2c(s1)CCC2	12545947	CBJIJTQZBAUAFP-UHFFFAOYSA-N	409.467	3.264	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C	28617612	QPRHGUHXHIOSLL-QFEZKATASA-N	418.453	3.180	50	40	HGGB	
O=C(N/N=C\c1ccc(O)c(I)c1)c1ccc(Cl)cc1	30822091	MRADZJIRRNMSMU-IUXPMGMMSA-N	400.603	3.414	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1O	57606375	QREOOUNXFVNQBK-JMIUGGIZSA-N	423.263	3.335	50	40	HGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	408966904	RESOIYCJYOZIBF-LSHDLFTRSA-N	420.381	3.233	50	40	HGGB	
Cc1c(C(=O)N/N=C\c2ccc(C(C)C)cc2)nn(-c2ccc(F)cc2)c(=O)c1C#N	409057927	WZOSQYHYIUDHTJ-ZMFRSBBQSA-N	417.444	3.439	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc([N+](=O)[O-])ccc3OC)o2)c1	409181353	BEOQJIRWEAODGI-WSDLNYQXSA-N	423.381	3.414	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccc(OCC)c1OCC	1471891	KQTSQLNTCLPDHK-MRXNPFEDSA-N	406.866	3.348	50	40	HGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1OC	2246412	LMCCWXOGMZDZAY-IBGZPJMESA-N	419.437	3.033	50	40	HGGB	
O=C(N/N=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1)c1ccncc1	4508450	MDZOGWKVQYTUHV-HZHRSRAPSA-N	406.398	3.212	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	5752888	MCDKEHMJBIWMDE-UHFFFAOYSA-N	417.314	3.471	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)cc1	20763896	OEPVCGMMMHSLQA-SSDVNMTOSA-N	420.849	3.063	50	40	HGGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(=O)NCc1ccccc1	408857893	PKYQKNKKGMEIDW-GDNBJRDFSA-N	416.275	3.102	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1C#N	409126169	GYSALBVLWFUVRK-OAQYLSRUSA-N	413.437	3.396	50	40	HGGB	
CCO[Si](CCCCCCOCCOCCOCCOC)(OCC)OCC	627274945	PTMPDGPCEMWVPY-UHFFFAOYSA-N	410.624	3.291	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCBr)cc1)C(=O)O	1542984430	MOZAWGPOXAPFSO-AWEZNQCLSA-N	402.285	3.371	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1	3446394	JRDVAHGMTUNIGM-UHFFFAOYSA-N	416.330	3.463	50	40	HGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1	5156460	ZICSOJOERKVNOV-KRWDZBQOSA-N	402.410	3.090	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccccc2C)c2cc(Br)ccc21	5695344	LUXAJIMVSBOCMG-NKFKGCMQSA-N	415.291	3.056	50	40	HGGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1	32109232	KVHHMMXDJZMLMT-PSOKSICGSA-N	418.405	3.189	50	40	HGGB	
O=C(CC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCCc1ccccc1	58914855	JKCQIOYGANHOEK-BUVRLJJBSA-N	420.425	3.054	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	105975363	GCRSFEABFCYYIJ-VAMGGRTRSA-N	419.506	3.476	50	40	HGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(I)o2)c1	408994476	GEJJNDYHUJXTMM-NVMNQCDNSA-N	412.227	3.284	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1	409223929	HSHICVMTTBCYMN-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(N2CCOCC2)cc1	4075075	NCDQCLZORWAESY-LJQANCHMSA-N	417.444	3.271	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1cn(CCOc2ccccc2OC)c2ccccc12	5007790	BWOCUDHUMHOFQS-OBGWFSINSA-N	419.481	3.398	50	40	HGGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1	28214376	DNMASZLIHZRMQB-AJPHYDNBSA-N	423.513	3.352	50	40	HGGB	
CCCCCCCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	97940390	MPKXCTLZYXDAKN-UHFFFAOYSA-N	406.552	3.277	50	40	HGGB	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C1CCCCC1	226763746	FIGDEIISZPQCOA-PQCBQTOFSA-N	405.130	3.097	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(I)c2)ccc1OC	408749034	KJLRGBMUWPOLCT-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1	408998597	BKGUTXNSXWQLLY-ZVHZXABRSA-N	419.437	3.426	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2	706083	WLUMADZMKYUYQM-NRFANRHFSA-N	403.829	3.159	50	40	HGGB	
CCOC(=O)C1=C(C)NC(SCC(C)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	996019	NULSIBTWQUHVEI-KRWDZBQOSA-N	401.444	3.176	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	4417971	LSGKKKFEPGLCNC-DEOSSOPVSA-N	411.465	3.129	50	40	HGGB	
Cc1ccc(SCc2n[nH]c3c2[C@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)cc1	4631753	PLOINLXOZSPFIK-JOCHJYFZSA-N	415.478	3.335	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OCC	6537314	ZWZHUARMXTUPBN-OEAKJJBVSA-N	400.862	3.452	50	40	HGGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(C(=O)O)cc1	13344933	NBZRGXMJWNEXBO-LFYBBSHMSA-N	415.199	3.422	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(Cl)c1	59248744	WWGLJELXCMUSEB-VXLYETTFSA-N	412.671	3.296	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(N)=O	408735764	XCYHGIKNXNOZPU-OQLLNIDSSA-N	413.861	3.457	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408995621	MONUEQCEFZMYRG-HYARGMPZSA-N	412.446	3.123	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	840431	JUFDPUROCDIAOI-SNVBAGLBSA-N	412.229	3.059	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2	2252671	YVRXPRSSYWVDSY-NRFANRHFSA-N	422.529	3.115	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	2275098	MWHAZKBLNVIWKC-SFHVURJKSA-N	404.422	3.255	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)o2)cc1	6186292	MLDXEJABFOQJRT-YDZHTSKRSA-N	405.410	3.456	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2ccc3ccccc3n2)c2nc3n(c2n1)CCCCC3	12544645	NSFZHRZSOITHSX-UHFFFAOYSA-N	414.469	3.089	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3[nH]2)cc1OC	12556790	ZEDGSYFFBPJLQK-UHFFFAOYSA-N	410.474	3.144	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1OC	408721325	OUNLJCBEWMFLCP-AWQFTUOYSA-N	417.263	3.186	50	40	HGGB	
O=C(N/N=C/c1ccncc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408864969	AINNHNJFPJUOSL-OVVQPSECSA-N	413.525	3.163	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C	408921934	LVWVYPFHGFOEMK-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc(OC)c1OC	985171	RBPNQSBZLHTEKK-KRWDZBQOSA-N	422.416	3.460	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@@H](C#N)C(=O)N2)cc1	2795985	KATYAGUDVDZLBY-INIZCTEOSA-N	410.499	3.322	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	4646369	JUXORCFWHPYMDE-AGHRZHCMSA-N	419.441	3.102	50	40	HGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	4714620	DFQGWSLVXUGBCE-FYJGNVAPSA-N	400.460	3.327	50	40	HGGB	
N#CCn1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c2ccccc21	6045769	FLNMTAXMAQUOMS-SSDVNMTOSA-N	411.259	3.456	50	40	HGGB	
CCCCN(CC)C(=O)NNC(=O)c1cc(Br)c(OCC)c(OC)c1	9591475	NOOWGWSRHJSNPO-UHFFFAOYSA-N	416.316	3.333	50	40	HGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	12578235	FIHNUJQWLCQKIB-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1	15134351	RHGWLXNSTOEPJC-YBFXNURJSA-N	422.235	3.285	50	40	HGGB	
Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)c(Br)c1	23397296	QBHGDJPCDPPJGY-LBPRGKRZSA-N	405.248	3.404	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2ccccc2I)cc1	408711748	IROBVMNSBWZQPZ-UNOMPAQXSA-N	408.239	3.383	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc(NC(C)=O)cc1	2272430	LYEJVRPSQUPJRB-DHRITJCHSA-N	418.453	3.392	50	40	HGGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1cccc([N+](=O)[O-])c1	4311633	ZRDMDBIXDAOAPF-UHFFFAOYSA-N	406.442	3.280	50	40	HGGB	aggregator
COc1c(Br)cc(/C=N/NC(=O)c2ccncc2)cc1Br	9905949	DSCVUIXSXNMWSQ-QGMBQPNBSA-N	413.069	3.379	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(Cl)cc1	19954386	QTRJAXWPMHGQNX-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@]12CC[C@@H](C[C@H]1Br)C2	107535749	GXZUWSLPCHLNFS-NLWGTHIKSA-N	407.352	3.089	50	40	HGGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C	408708633	RTPQZLIANZDCSF-ZMOGYAJESA-N	416.909	3.303	50	40	HGGB	
N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cccnc1	409091208	RLPOABYDEYGTDO-NTEUORMPSA-N	404.411	3.477	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O	2432246	STFNFKHYDRRSDG-NTCAYCPXSA-N	405.410	3.274	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C(C)C)cc2)c(C)c1	6607270	VUSGGXDQUCQAKJ-WSDLNYQXSA-N	401.532	3.164	50	40	HGGB	
CC1(C)C(C#N)=C(SCc2cc3c(cc2Br)OCO3)NC(=O)[C@@H]1C#N	9114528	MTDGDLQBMAOLFC-JTQLQIEISA-N	420.288	3.442	50	40	HGGB	
O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NNC(=O)c1cccs1	12461677	GSQKAPIXIHCPIV-UHFFFAOYSA-N	423.494	3.183	50	40	HGGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCC#N)c(Br)c1	59333965	XBVQTETXJBVTKJ-YHYXMXQVSA-N	413.069	3.109	50	40	HGGB	
Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)NNC(N)=S)cc1	62715910	OOXPFXDBTNMEIN-RMKNXTFCSA-N	420.332	3.214	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OC(=O)c1cccs1	2628089	UDMNJCNORJFPJG-AAGJOFLKSA-N	412.467	3.178	50	40	HGGB	
CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2F)c2ccccc21	8560468	UPVLWGAIJDSBPZ-ZZEZOPTASA-N	404.445	3.413	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1COc1ccccc1C(N)=O	15933776	HLIJYLJTMUZUET-LGJNPRDNSA-N	421.428	3.276	50	40	HGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1	16479024	VAFVKWFTQDZZOI-HKOYGPOVSA-N	421.522	3.070	50	40	HGGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3c(F)cccc3Cl)CC2)cc1	19861300	VWPCKIUYFVPMQD-ZMOGYAJESA-N	402.901	3.055	50	40	HGGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3O)c3ccccc32)cc1	40137515	YSEWEQFHHZEVCG-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccco3)cc2)CC1	57315316	OMWMMWPGDRAXDT-KOEQRZSOSA-N	418.497	3.374	50	40	HGGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	5603023	XAOMMOKZFJYJHT-YZSQISJMSA-N	401.466	3.075	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	59488262	BANGWXOJDGTQOA-ZMOGYAJESA-N	417.421	3.440	50	40	HGGB	
CS(=O)(=O)[C@@H](I)C(=O)c1ccc(-c2ccccc2)cc1	96517908	ZWERYLUNYHSCRI-OAHLLOKOSA-N	400.237	3.342	50	40	HGGB	
COc1ccccc1-n1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1cccs1	104709858	RPRKKOIJOCNQEO-SEYXRHQNSA-N	411.512	3.422	50	40	HGGB	
CSc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1	408761793	LNZRZZWXAWOIDY-IOVUBPJKSA-N	419.572	3.170	50	40	HGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1	409003040	QUBQHVLHCJFATK-SDLXJUDFSA-N	406.398	3.199	50	40	HGGB	
COCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N	3137981	FMSZXARHYHORGX-UHFFFAOYSA-N	420.337	3.136	50	40	HGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cc(C)ccc2C)S(C)(=O)=O)cc1	5541848	IFBJHHGCPSPHQG-FIOICXDGSA-N	417.531	3.007	50	40	HGGB	
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1[N+](=O)[O-]	12894649	KITHKGHXNVKOLP-UHFFFAOYSA-N	423.834	3.235	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1	4453073	YYWACJQNYMGLJI-GOSISDBHSA-N	404.426	3.408	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Br)cc3)CC2=O)cc1	4703037	NFLUHDASXXCRDK-FPQGOQEYSA-N	400.276	3.261	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCc3nc4ccccc4s3)ccc21	6623545	RXBNCMCAZFOMJC-UHFFFAOYSA-N	407.499	3.368	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1O	9971502	YLULAHKWQNSJQY-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1	20207863	QLTXWGGLYKLCBV-ZVHZXABRSA-N	421.522	3.163	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1	33625159	SMJWACWZDPRFBA-VCHYOVAHSA-N	407.211	3.014	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cn3ccnc3)cc2)c(C)n1-c1ccccc1	40143563	IESYAMDVIYXDKH-UHFFFAOYSA-N	413.481	3.414	50	40	HGGB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1	96504697	ITMISWFOAMINQG-QLENYVDCSA-N	420.469	3.188	50	40	HGGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(F)cc1	100537491	KNGOOYFGULOOHX-LVTVNPDKSA-N	417.072	3.108	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c2ccccc21	408768794	JLHXSWXDRIHZEC-XXIFSUITSA-N	424.464	3.022	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1O)c1ccccc1	409227518	ZBCQOYYPKDXJEZ-XKZIYDEJSA-N	405.366	3.284	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)c(Br)c1O	208530306	NEGZXLHJSJAFDI-WTKPLQERSA-N	418.085	3.357	50	40	HGGB	
NC(=O)[C@H]1CC(C(=O)NN(c2ccccc2)c2ccccc2)=NN1c1ccc(F)cc1	225502141	VYTORBPHOYHGEK-OAQYLSRUSA-N	417.444	3.115	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1OC	409344618	HQLZBDJAYDJFPH-SRZZPIQSSA-N	406.280	3.419	50	40	HGGB	
O=C(CCCC[C@@H]1CCSS1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	1547212399	JTPHPIUYWFAEFC-QLFBSQMISA-N	423.560	3.416	50	40	HGGB	biogenic
COc1ccc(C(=O)NN[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1	3322037	RVGHYZJAXNPDHT-OAQYLSRUSA-N	405.454	3.318	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)n1CCC(C)C	3424830	URYARRGOCAZBGS-WOJGMQOQSA-N	416.522	3.226	50	40	HGGB	
C=CCN1C(=O)/C(=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc21	4724327	PLUUDRLBBPMVGB-PTGBLXJZSA-N	404.253	3.425	50	40	HGGB	
CCOc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OCC	6489606	QDINMWPETKVTOS-UHFFFAOYSA-N	407.426	3.483	50	40	HGGB	
COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1O	11582430	WTMQOSMACKIZTC-GFCCVEGCSA-N	407.264	3.389	50	40	HGGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1	12137099	SRSWGAGKJHDBOX-UHFFFAOYSA-N	412.298	3.341	50	40	HGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)c(OCC)c1)c1ccccc1	408982516	YFLFMVMFTXDSJI-FSTGKYBXSA-N	413.474	3.422	50	40	HGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc12	886618	ZFFHIJBNNIYHTN-UHFFFAOYSA-N	421.438	3.378	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2Br)cc1	3168587	PETHYKWTBBCNID-UDWIEESQSA-N	404.264	3.327	50	40	HGGB	biogenic
COCCCNC(=S)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	8104011	SEHMDVLURNIBFV-UHFFFAOYSA-N	400.529	3.109	50	40	HGGB	
Nc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1nc2ccccc2[nH]1	10895213	BTHIVDCNDPMTQL-UHFFFAOYSA-N	405.483	3.267	50	40	HGGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	14333128	BYKGKJHALMCWIX-UVLALUNPSA-N	403.567	3.071	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	15231433	WSUUOWBGHJWVPA-ODCIPOBUSA-N	414.727	3.356	50	40	HGGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	408846743	YXARSROROIZHQF-HZHRSRAPSA-N	411.527	3.320	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)cc1OCC	409312636	NAJPQEOWOWSSHS-XKZIYDEJSA-N	400.431	3.101	50	40	HGGB	
CCCCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2cc(Br)ccc21	13118267	GHWCGWVJDLNDRW-LTGZKZEYSA-N	401.264	3.125	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)c(Cl)c1	408608468	WLZVNMIWXZDXSQ-OAHLLOKOSA-N	404.879	3.297	50	40	HGGB	
N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408987145	ANHNPDPWVLQGKC-AAGJOFLKSA-N	410.455	3.343	50	40	HGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)c1	409225354	PEMQTPSHLBVQEK-RIYZIHGNSA-N	414.259	3.167	50	40	HGGB	
Cc1csc2c(SCC(=O)NNC(=O)C(Cl)=C(Cl)Cl)ncnc12	2142552	UMPVEBVKWPOWEH-UHFFFAOYSA-N	411.723	3.125	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	4417970	LSGKKKFEPGLCNC-XMMPIXPASA-N	411.465	3.129	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1	5163482	OBHFSHWKVULQOS-SFHVURJKSA-N	416.437	3.480	50	40	HGGB	
CNC(=O)N(C1=NC[C@@H](CI)S1)c1ccc(F)cc1F	12416926	PRCNUKHIXVMKJX-MRVPVSSYSA-N	411.215	3.017	50	40	HGGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)CSc1ccc(C)cc1)c1ccc(Cl)cc1	22978328	DQXHOYWFIWOFNB-SFHVURJKSA-N	419.934	3.155	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)Cc3cccn3C)c2)cc1	30738610	DAZSWGJMVQOPFU-CHUMBBMLSA-N	417.465	3.345	50	40	HGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	30821995	GYOUVIIFTLIKAT-XGTDKWECSA-N	416.390	3.251	50	40	HGGB	
C[C@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	100859886	GZLDHLQJQPOCIY-AXNITEOOSA-N	419.157	3.487	50	40	HGGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(I)c1	226333474	AFSHNUWKQIMSEV-XBXARRHUSA-N	412.202	3.012	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccc(Cl)c(Cl)c1	408907504	PMSIWSULTCVQPN-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2C)cc(OC)c1OC	1410856	KLHCOCNKSBOETO-UHFFFAOYSA-N	409.895	3.306	50	40	HGGB	
COc1ccc(OCCCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	6610702	NXPAUCGHCCFCIG-UHFFFAOYSA-N	407.426	3.239	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1O	13847752	QCLOUTVAMRWZCY-AWQFTUOYSA-N	407.810	3.190	50	40	HGGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C\c1c(Cl)cccc1Cl	4579461	AYDQAVDJKMGGLP-NELHALCGSA-N	406.269	3.282	50	40	HGGB	
COc1cc(C(=O)N/N=C/[C@H](C)Cc2ccc3c(c2)OCO3)cc(OC)c1OC	5920573	HYFSAWZLXFPYAR-XIJPWPHISA-N	400.431	3.036	50	40	HGGB	
COCCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1	12138208	DIXQLHQLEOCJAL-UHFFFAOYSA-N	400.475	3.212	50	40	HGGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccc(Br)cc1	12844772	WGZYRQBDHYHLAV-UHFFFAOYSA-N	400.232	3.487	50	40	HGGB	
O=C(NC/C(=N\NC(=O)C1CC1)c1ccccc1)c1ccccc1Br	18191621	XWJJWJHXIQXEAK-OQKWZONESA-N	400.276	3.109	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)C1CCCCC1	33725614	MGVYVINCYODGMC-GRSHGNNSSA-N	406.335	3.038	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1cccc(C(=O)O)c1	59248796	KGJXCMZTHNMDHO-WYMPLXKRSA-N	405.410	3.131	50	40	HGGB	
O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cc2c(s1)CCCCC2	84372106	YCJGXMQJMAXBDI-MRXNPFEDSA-N	401.463	3.110	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1	408886188	FBGIDARZJTUDJK-NTUHNPAUSA-N	413.386	3.175	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408961725	DQGIBGPZAJVHSG-BHGWPJFGSA-N	424.375	3.420	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCC(C)C)=C2C#N)cc1Cl	6306810	AIDVROXQSSESHP-ZDUSSCGKSA-N	407.923	3.193	50	40	HGGB	
C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1	15934569	ZJZDQWHYOGHGEQ-MFKUBSTISA-N	403.438	3.433	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OCC	408599088	OOTIUDBOXZEDKL-CIAFOILYSA-N	401.806	3.423	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC(=O)O	408783842	RQEDHFJLVCMLFT-AUWJEWJLSA-N	407.264	3.073	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409200611	IXELRASFSICRKE-FMCGGJTJSA-N	407.386	3.340	50	40	HGGB	
O=C(NNc1ncnc2ccccc12)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	1615055191	IUKNFOWYHSHCHJ-CALCHBBNSA-N	415.453	3.066	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1OC	9374800	GQUYFFGMRIOPRB-YDZHTSKRSA-N	424.457	3.265	50	40	HGGB	
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NN)cc1	12861903	JBASIYCOUDCWRD-QHCPKHFHSA-N	420.513	3.302	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccnc2)ccc1Oc1nc(Cl)ncc1F	33349888	IGLHEYUASPOOHN-NYAPKIOYSA-N	401.785	3.229	50	40	HGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1C	59720910	FBQJWUADEOMFSI-DNTJNYDQSA-N	421.251	3.242	50	40	HGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccccc1I	408552411	TUJLVKNEVGJJRJ-NVMNQCDNSA-N	414.630	3.474	50	40	HGGB	
N#C/C(=C\c1ccc(I)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408789825	MCXCYLAXIOYQEF-RMKNXTFCSA-N	409.139	3.338	50	40	HGGB	
COC(=O)c1ccc(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1	9480397	SVYCUDUYVPNWNQ-UHFFFAOYSA-N	416.433	3.199	50	40	HGGB	
O=C(N/N=C/c1ccc(Br)o1)c1cccc(I)c1	408997464	GONNQYNFYYSPLR-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	5773757	MQELWOZLCUUNSQ-ZVHZXABRSA-N	417.421	3.053	50	40	HGGB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccccc3)cc2)no1	6316337	LSSSICOOGCPQDX-VBKFSLOCSA-N	408.439	3.330	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(C)Nc3oc(C)nc32)ccc1OCCN1CCOCC1	20459318	NJGKAWSKRWIAMK-FQEVSTJZSA-N	410.474	3.058	50	40	HGGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)c(C)c2c1	95419237	ASQFSEXHZBYINU-UHFFFAOYSA-N	417.469	3.150	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1csc3c1CC[C@H](C)C3)[C@H]2C(=O)O	102207251	RGSUWFWNRXLWAW-DXPHUNCHSA-N	416.543	3.327	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	408609406	RFHWFPGADCNQKX-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2ccccn2)cc1Br	408722622	MKDLNZREGVFBBD-CIAFOILYSA-N	405.296	3.463	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2)[C@H]([n+]2ccccc2)[C@@](O)(c2ccccc2)N1	409415752	IYAXXDXWSQKODI-RNXOBYDBSA-N	418.480	3.224	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(F)cc2)nc2c(C)cccn2c1=O	2436681	XLHLQJOVOCWVDM-NTCAYCPXSA-N	404.401	3.144	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccc(C)cc1	4112927	AHYPYOJUINQVCM-YDZHTSKRSA-N	406.442	3.408	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)c(C)c1	6233529	UNKNAZBSBMIGNG-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N2CCOCC2)s1	13096938	XCSWUBSKKRVNQF-YBFXNURJSA-N	418.569	3.437	50	40	HGGB	
COc1cc(Br)cc(/C=N\NC(=O)COc2cccc(C)c2C)c1O	13945574	GLCNOBWUSDTEFR-UKWGHVSLSA-N	407.264	3.309	50	40	HGGB	
Cc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3Cl)C(O)=NC2=S)c1	16994115	XEMNLSWYSNHIFQ-GXDHUFHOSA-N	414.874	3.055	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1-c1cccc(Br)c1	58439547	LMIUELLIKFTSKH-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	226767029	PMSREODFEGMHTB-UHFFFAOYSA-N	404.382	3.410	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)sc2ncnc(N)c12	408972453	BZKAURKPYISQNW-KTZMUZOWSA-N	421.438	3.304	50	40	HGGB	
CN(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1	8358546	FRAFSMGRLRIMQX-UHFFFAOYSA-N	416.319	3.469	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	14907576	NHLHMCUOOIYMQN-UHFFFAOYSA-N	415.437	3.493	50	40	HGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	408862804	MKBWBZYUPKWKQX-FYJGNVAPSA-N	417.487	3.233	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	408964466	RMQYPEIKTKITFC-VULFUBBASA-N	422.460	3.008	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	409390831	FWVCXYIKLPPCGF-AFUMVMLFSA-N	405.454	3.344	50	40	HGGB	
CCCc1n[nH]c2c1[C@@H](c1cc3c(cc1Br)OCO3)C(C#N)=C(N)O2	9069243	MACASKMNQYGOJM-AWEZNQCLSA-N	403.236	3.072	50	40	HGGB	
CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C	12137417	FGWLEBBXDACECA-HXUWFJFHSA-N	411.502	3.336	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)N(c1ccccc1)S(C)(=O)=O	408924575	KBUCOTDLPIIPGH-WTJYETQFSA-N	421.522	3.243	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	408969228	JPEKLZAHLQINCK-CVKSISIWSA-N	418.497	3.178	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	1021248	VAEJRGZLHWKKLV-ZVHZXABRSA-N	419.437	3.426	50	40	HGGB	
C/C(NNC(=O)c1ccccc1Cl)=C1\C(=O)N(C2CCCCC2)C(=O)N=C1O	5045828	AZLJPIVLPNNGOX-RVDMUPIBSA-N	404.854	3.100	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccs1	6471711	WXOHFUVAVBYEEF-UDWIEESQSA-N	403.460	3.452	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(=O)Nc1ccc(F)cc1F	9235758	FGFQWKILLZCPSZ-RIYZIHGNSA-N	415.396	3.034	50	40	HGGB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1	16479145	IOJFCENNWLSTBA-UHFFFAOYSA-N	413.543	3.356	50	40	HGGB	
CCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)s3)[nH]n2)cc1OC	40069134	BCPRMFCWRMDAJZ-UHFFFAOYSA-N	414.487	3.319	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	43776055	QRIRJSZNIPIVBL-YBFXNURJSA-N	402.204	3.133	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1	100143725	DGIJRUBUKCMFBX-QYZOEREBSA-N	405.479	3.086	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCC(=O)O	408816512	LQFTUIMVMOMQGV-SDQBBNPISA-N	404.781	3.497	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccccc1Br	5739772	PJMRJBAXXJVDSR-CIAFOILYSA-N	420.307	3.460	50	40	HGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1)C(=O)O	28630449	VMESDQVZSLLQHR-SVKBEJCWSA-N	415.496	3.391	50	40	HGGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	408534422	VNJDTDGTSFLOSN-GXDHUFHOSA-N	408.439	3.156	50	40	HGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408758923	UUJJPUKTHRNJGA-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCCCC1	408772066	AKUMTXQYANRFMO-UHFFFAOYSA-N	403.479	3.457	50	40	HGGB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccnc1)c1ccccc1	3179484	QCRUYSYKHGTGGG-QYJQOTDOSA-N	411.465	3.054	50	40	HGGB	
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NNC(=O)c1ccccc1	4870662	KQSWGNRQHIPFNP-UHFFFAOYSA-N	400.862	3.156	50	40	HGGB	
CC(C)(O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1F	32578441	DQLODPITWZFQBG-UFFVCSGVSA-N	409.255	3.388	50	40	HGGB	
O=C(Nc1ccccc1C(F)(F)F)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	250193218	LSVHAPHLWTYENH-BOCQSXMYSA-N	404.182	3.215	50	40	HGGB	
Cc1cc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)ccc1Cl	881051	TZMARRIONJTFLH-UHFFFAOYSA-N	422.666	3.262	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC	4473384	IFUVPYAVLVQULV-QGZVFWFLSA-N	404.426	3.321	50	40	HGGB	biogenic,in-vitro
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	5326790	SRKBQNLAAWAILQ-UHFFFAOYSA-N	410.455	3.322	50	40	HGGB	
CCCOc1c(Br)cc(C(=O)NNC(=O)c2ccoc2C)cc1OC	13141404	HHDHSUNKLAIDLW-UHFFFAOYSA-N	411.252	3.223	50	40	HGGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	20248577	VZAIIGDZELSSFB-JTQLQIEISA-N	404.289	3.402	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1ccc(OC(C)C)cc1	40142935	DZVMUHDJFVRCSH-UHFFFAOYSA-N	424.476	3.419	50	40	HGGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	103175799	QQSSEEPYPNQEEG-FWVVFLIFSA-N	401.532	3.179	50	40	HGGB	
COc1cc2c(cc1/C=N/NC(=O)CSc1nc3ccccc3s1)OCO2	409104353	DHOGYJFPAHNHQE-UFWORHAWSA-N	401.469	3.276	50	40	HGGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc1	1431075	PEQGRANBWNMBDB-KEBDBYFISA-N	405.248	3.073	50	40	HGGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@@H](C)c3ccccc3)c2c1	4679725	DJBJZIQJQVTQNH-INIZCTEOSA-N	420.513	3.132	50	40	HGGB	
Cc1c(NC(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)c(=O)n(-c2ccccc2)n1C	6455890	NOLDZYYFCBVRBG-CPNJWEJPSA-N	412.449	3.349	50	40	HGGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)cc1	12976265	QOWWSOAYFFCBGH-UHFFFAOYSA-N	409.442	3.019	50	40	HGGB	
Cc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)Nc4ccc(Cl)cc42)C(C#N)=C(N)O3)cc1	664651	ONIIOLORWVTMFT-NRFANRHFSA-N	403.829	3.363	50	40	HGGB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Br)[C@H](Br)C(=O)O	1739498	HUXSUVLDQQTVKW-SFYZADRCSA-N	418.991	3.256	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1)NCc1ccco1	16491598	RRGSEKODXJGHCR-ZMOGYAJESA-N	423.494	3.217	50	40	HGGB	
CCCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	24841997	FQMMUVUZMWZYQQ-UHFFFAOYSA-N	423.922	3.482	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)c2C)cc1	408590488	PCIQBASSPKCSBL-BRJLIKDPSA-N	420.469	3.394	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc([N+](=O)[O-])c1O	408967033	RSTVROMERHYPAV-DJKKODMXSA-N	414.330	3.117	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cccc(Cl)c3)c(C)c(C#N)c2=O)cc1C	409055311	KUDZWOSCPCYRQN-ROTLSHHCSA-N	419.872	3.447	50	40	HGGB	
NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl	409264018	KDCOTZWZYKFUCI-YXSASFKJSA-N	400.649	3.275	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2cc(C)cc(C)c2)nc2ccccn2c1=O	4205494	AZEPEMVSJWEHFF-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1	7387377	KDPQIGZOBRJABD-UHFFFAOYSA-N	409.439	3.020	50	40	HGGB	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1	14907531	FKXAYRUJJWXBFA-UHFFFAOYSA-N	413.421	3.247	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@H](C)Nc2ccccc2C)c1O	695776	CQYBSKJURHHJQV-QDBSGRMGSA-N	406.280	3.422	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1	954816	NOSBYCGBYFCQRW-HKNSOBRKSA-N	410.499	3.057	50	40	HGGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1C	4402181	LUBDBHRFMZJNJD-ZMOGYAJESA-N	400.866	3.416	50	40	HGGB	
C/C(=N\NC(=O)CSc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1	5370115	VVASGKUPKJFUIK-MFKUBSTISA-N	405.483	3.361	50	40	HGGB	
COc1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC	15934316	ZHDZQCQXSPWYNE-CQSZACIVSA-N	409.442	3.477	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764769	JLBAUKQLAUBZMV-OEAKJJBVSA-N	414.458	3.190	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)ccc1OCCC(C)C	24299894	WOHYDZCSXLBXJB-UHFFFAOYSA-N	423.469	3.036	50	40	HGGB	
CCn1c(NNC(=O)/C=C/c2ccccc2OC(F)F)nc2ccccc2c1=O	32754796	XWZMFCFSUUNMCW-VAWYXSNFSA-N	400.385	3.174	50	40	HGGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2Cl)c(C)n1-c1ccccc1	5127115	JUCCAWVMASOITO-UHFFFAOYSA-N	403.891	3.371	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1	12856772	SUEDKJOTBCHVOG-CYBMUJFWSA-N	404.875	3.270	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCC#N	59332901	MTRBNIPESJIPHR-SILNSSARSA-N	416.481	3.243	50	40	HGGB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408680193	FWUIIRHHVGEACB-PTEOKISQSA-N	404.182	3.215	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)ccc1OC	409364409	XUFQMUWXCOQFMJ-SRZZPIQSSA-N	406.280	3.419	50	40	HGGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	5155803	UEKNDOQPBIQQKZ-NBVRZTHBSA-N	402.454	3.429	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O	5881116	NTSNMSBIEOOJEU-ZICWZVMQSA-N	414.314	3.298	50	40	HGGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1OC	9360951	XOBYDMZOWUFBPW-YDZHTSKRSA-N	424.457	3.265	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)s1	10087540	PABQOLDNJVDQTL-UHFFFAOYSA-N	409.467	3.214	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)[C@@H]2c1ccccc1[N+](=O)[O-]	22553947	WOCGLRCJVKUNQW-KRWDZBQOSA-N	413.455	3.478	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1	408789969	PCCMVIFOLUNOEC-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1cccc(C)c1	2267063	NEPBTWXIMGSLCM-VULFUBBASA-N	419.481	3.192	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccccc1	2571175	HTJHTGUCHYJAMG-SNVBAGLBSA-N	412.298	3.096	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(NC(C)=O)cc2)C(C#N)=C(N)O3)c1	5156898	XRDFIBILBKXMFH-SFHVURJKSA-N	401.426	3.262	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)cc1	5597167	VLPKQCCRHBLLBM-HNJRGHQBSA-N	414.502	3.320	50	40	HGGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)c1	6391006	QTYCUJDPYNLBCO-LGJNPRDNSA-N	413.481	3.298	50	40	HGGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	8812379	FQXAJHFZGAHCFU-SRZZPIQSSA-N	405.223	3.373	50	40	HGGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(F)cc2)ccc1O	12276133	IWICKLBRYYZFFV-VFNWGFHPSA-N	412.442	3.183	50	40	HGGB	
C=CCNC(=S)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1	12945057	MQPFWPDOYUBTOF-UHFFFAOYSA-N	405.527	3.451	50	40	HGGB	
CCCOc1ccc([C@H]2[C@@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20000619	VBIMHFQLMFGIGD-KNQAVFIVSA-N	417.513	3.229	50	40	HGGB	
O=C(CSSCC(=O)Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1	27825357	MAVQEIXRTYVUKC-UHFFFAOYSA-N	420.468	3.042	50	40	HGGB	
N#CCCN(NC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccc(Cl)cc1Cl	59488052	OPFJHEWJKWJYMI-UHFFFAOYSA-N	423.281	3.003	50	40	HGGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccccc1F)C(=O)NC1CC1	408706940	FLQMQJOVXCBBKK-UFFVCSGVSA-N	419.254	3.061	50	40	HGGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	409203013	VPLQDYGLVMDCPY-OYKKKHCWSA-N	405.454	3.494	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1O[C@H](C)C(=O)O	409229882	ASCCZLVRRCWJJN-QQUGTJAQSA-N	410.348	3.330	50	40	HGGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	6455240	HGEFVQWIGQTODM-KRWDZBQOSA-N	423.513	3.197	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@@H]1c1cccs1	20065742	QGBACIVKDQDGIK-QGZVFWFLSA-N	404.513	3.470	50	40	HGGB	
CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(Cl)cc1Cl	96519287	CFLIIXCMRJYUSK-VHSXEESVSA-N	409.072	3.223	50	40	HGGB	
Cc1ccccc1CSCC(=O)NN=C1C(=O)Nc2ccc(Br)cc21	408768819	JXKQMAZFJMPYNM-UHFFFAOYSA-N	418.316	3.463	50	40	HGGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OC	408769263	QDEADJBIUIMUIA-WUXMJOGZSA-N	414.243	3.130	50	40	HGGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	95471462	RUZDTWAPWFNQNU-GDNBJRDFSA-N	408.439	3.156	50	40	HGGB	
COc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1O	408979520	MONLGPAHXGNWFN-KXWHUPIZSA-N	417.465	3.412	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCCOC	409200309	RGHQMMHXZUSRCN-VCHYOVAHSA-N	424.453	3.063	50	40	HGGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(Cl)cc3)s2)cc1	726400	FBPARHCWUYXOBW-SRZZPIQSSA-N	413.890	3.445	50	40	HGGB	
CCOc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccc(OC)cc2)cc1OC	818309	NJLLDFWHGQSEIE-LJQANCHMSA-N	411.483	3.402	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1	1384073	GEEMKJNHGVXCSL-HYARGMPZSA-N	419.934	3.199	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1OCC	3081468	FVCHORAHWUVWHL-LPYMAVHISA-N	401.850	3.392	50	40	HGGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccc(I)c(O)c1	4714996	CTJCLDQXXIUXEH-GIDUJCDVSA-N	406.632	3.476	50	40	HGGB	
Cc1ccc(NC(=O)[C@H](NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1	7652796	XROHFVBZPPOOSK-OAQYLSRUSA-N	403.438	3.338	50	40	HGGB	
O=C(NNC(=O)c1c(F)cccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1	32904266	JZJGIYBZOVHQKQ-UHFFFAOYSA-N	419.391	3.287	50	40	HGGB	
N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1cccc(Br)c1	33668463	SYVNCJNCKIYRQW-JYRVWZFOSA-N	423.270	3.435	50	40	HGGB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cc(OC)cc(OC)c1	103918340	BFSSIOPSTUWYNQ-QNGOZBTKSA-N	422.485	3.415	50	40	HGGB	
CCN(CC)c1cc2c(cc1NC(=O)[C@H](Br)C(C)C)n(C)c(=O)n2C	408530686	MLJLHXQXLHIECR-MRXNPFEDSA-N	411.344	3.081	50	40	HGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1	408796617	AWFQADZTJPSUAE-PQTFEYQYSA-N	414.243	3.130	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	59473789	DGVOXHGFVILWMC-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
CCOC(=O)/C(C#N)=C(\SC)SC1=C(C(=O)OC)C(=N)Oc2ccccc2N1	100955336	DBVBNPDKRDZZLB-CHRRBNJPSA-N	419.484	3.247	50	40	HGGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	102636098	KNGOOYFGULOOHX-GRRRKWKPSA-N	417.072	3.108	50	40	HGGB	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	408614633	FQVFTJJVURLXKW-SFHVURJKSA-N	407.514	3.361	50	40	HGGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-]	408880167	GIAIMMXJSSQLSJ-OEAKJJBVSA-N	424.457	3.058	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccccc1F)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	1239132	SZMZLKYRRPAFIU-UNSMVDFFSA-N	412.490	3.433	50	40	HGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1ccc(Br)cc1	5576046	WLYZNBXOLWCJMS-CIAFOILYSA-N	413.275	3.342	50	40	HGGB	
COc1cc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc(OC)c1	16488926	KRPODIRZBABHGN-UHFFFAOYSA-N	424.453	3.270	50	40	HGGB	
COc1ccc(C2=Nc3ccccc3[C@@H](c3ccc(C)cc3)N2CC(=O)NN)cc1	97165203	SKJSFYSABXDEOE-HSZRJFAPSA-N	400.482	3.477	50	40	HGGB	
CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1	409020172	ZQOSOPIOZVKKQC-QNDYCBLQSA-N	401.894	3.400	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1C	2080935	HEHRSUVMOGRQHG-CIAFOILYSA-N	401.260	3.299	50	40	HGGB	
Cc1ccccc1/C=N/NC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	2177556	LUNWGWTXGULGLB-YCYNJWQJSA-N	408.285	3.336	50	40	HGGB	
Cc1cc2c(cc1C)N/C(=C\C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N2	408719500	FINIWENZDJOAFL-BLNPFENISA-N	413.821	3.263	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(OC)c1OCC(=O)O	408852887	WXFLGAMXJVRKIW-YVLHZVERSA-N	422.437	3.441	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1O[C@H](C)C(=O)O	409233337	FQMJBTIERRMVOE-JZOCJUILSA-N	421.247	3.074	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@H](C)C(=O)O)cc1	409237029	VACFSXYMVKMMAU-IZCBMXNHSA-N	410.426	3.491	50	40	HGGB	
O=C(NNC(=O)c1cc2ccccc2oc1=O)c1ccc(COc2ccccc2)o1	6510791	OFFBCLZFMYYFJG-UHFFFAOYSA-N	404.378	3.040	50	40	HGGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21	8569388	OOPIUDKILWKRIW-GOSISDBHSA-N	402.410	3.422	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-]	408598932	LKUBJDXOXNTOLF-YBFXNURJSA-N	402.204	3.133	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408708589	QXEFLWOSWYYJLU-SSDVNMTOSA-N	421.295	3.021	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1	409119513	SPZXCOKOBXZMJD-HZHRSRAPSA-N	424.526	3.254	50	40	HGGB	
Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)c1ccc(I)cc1	4702478	OJSQRMLXVLPCSH-LSCVHKIXSA-N	410.211	3.083	50	40	HGGB	
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/C(C)=C/c1ccccc1	8856265	PPUHEXWJKZQHBH-NOMNIEBGSA-N	414.374	3.096	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444672	BNGWYHRBLRBHQX-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CC)=C(C)N=C2SC(C#N)=C(N)N21	408606128	OLQRZCSHDKHRIZ-GOSISDBHSA-N	411.531	3.339	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1	2299262	GQWAOZMSAFBZDO-KRWDZBQOSA-N	423.450	3.410	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31637220	LQOGTLWBGYHVFS-NQGGHMMCSA-N	418.469	3.079	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)OC	408744946	IOTNOODNLBQMCT-WJDWOHSUSA-N	410.426	3.191	50	40	HGGB	
C=CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1	704874	VALBHFNBPBMXJT-SRZZPIQSSA-N	419.275	3.421	50	40	HGGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444741	QFEKOGBDIZASNT-ZVHZXABRSA-N	417.421	3.053	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1	408997630	NPTUIGIMHRDYKV-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)cc1	409082704	MVLBAEJSVRFIKE-BHGWPJFGSA-N	421.409	3.024	50	40	HGGB	
O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(O)cc1	3243444	AAMLNGFXXMFRGH-HYARGMPZSA-N	408.483	3.116	50	40	HGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(NCc2ccc3c(c2)OCO3)cc1	6258085	PSDXQKPCUWHNLX-UHFFFAOYSA-N	414.421	3.114	50	40	HGGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1	9546000	HWMNDRQXZYDNTP-CYBMUJFWSA-N	422.363	3.105	50	40	HGGB	
COc1ccc2oc(C(=O)NNC(=O)CNc3nc4ccccc4s3)c(C)c2c1	12808339	BNHPXKGDGDPKLW-UHFFFAOYSA-N	410.455	3.233	50	40	HGGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)CC#N)c2C)ccc1I	13371432	ZMFWRMLAEJAQLU-JMIUGGIZSA-N	420.254	3.371	50	40	HGGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O	16806572	PSOHAIOTHWQCMK-UNOMPAQXSA-N	404.422	3.388	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccncc3)cc2)cc1C	32109659	MPPJXHVQNKXHPU-QFEZKATASA-N	402.454	3.480	50	40	HGGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(I)o1	33323131	RHTPHWXSFFBORH-APSNUPSMSA-N	404.591	3.067	50	40	HGGB	
COC(=O)COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c1	408864229	UMXCKPUPTJXPDI-ZVBGSRNCSA-N	411.241	3.074	50	40	HGGB	
O=C(N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)c1ccc(Cl)cc1	409000090	XAESCQDXOZXHGL-CIAFOILYSA-N	417.874	3.175	50	40	HGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21	409360033	CZTRDZRZGLSFMD-BHGWPJFGSA-N	412.877	3.420	50	40	HGGB	
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/NC(=O)c2ccccc2O)cc1	4795083	RVBFCZRLHIQSES-HYARGMPZSA-N	409.467	3.265	50	40	HGGB	
CCCCn1nc(C(=O)NNC(=O)c2c(F)cccc2Cl)c2ccccc2c1=O	12746990	ZVPJHBCTVJSIQJ-UHFFFAOYSA-N	416.840	3.064	50	40	HGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1	408796616	AWFQADZTJPSUAE-HAAVITCDSA-N	414.243	3.130	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(I)c1O	408802316	YZBLKJYYKJICOZ-HAAVITCDSA-N	414.243	3.217	50	40	HGGB	
CCc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(C)(=O)=O)cc1	409029048	USOGZGQLJJNULF-OQKWZONESA-N	401.532	3.140	50	40	HGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	409097608	MSXIVPKWODAMOT-LPYMAVHISA-N	408.414	3.250	50	40	HGGB	
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)SSc1ncccc1[N+](=O)[O-]	2560800	KBMFCGVAENSRSY-JTQLQIEISA-N	403.482	3.487	50	40	HGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1	5720552	AVDIHCNAWZSLOQ-UHFFFAOYSA-N	414.508	3.146	50	40	HGGB	
Cc1noc2nc(C3CC3)cc(C(=O)NNC(=O)c3ccccc3Br)c12	12983600	YPFHTPSHPCJWRG-UHFFFAOYSA-N	415.247	3.246	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	40144414	QBICIYLTJJEPBP-UHFFFAOYSA-N	419.460	3.042	50	40	HGGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)Cc2ccccc2)c(OC)cc1Cl	100522722	KXGTVCVXRSPMJH-YDZHTSKRSA-N	403.866	3.421	50	40	HGGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NC1CCCCC1	408834048	KYEMDQHDEIGEDJ-SSZFMOIBSA-N	413.499	3.114	50	40	HGGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1	409186291	AAQORCPLKDQWLS-UUYOSTAYSA-N	416.499	3.268	50	40	HGGB	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1	2856235	QXJKAKFSUNTMLF-VXLYETTFSA-N	424.438	3.187	50	40	HGGB	
C/C(=N\NC(=O)CO/N=C/c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1	5612607	ZUXCOVDPSKUWCK-NHOSVPLHSA-N	404.426	3.423	50	40	HGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1[nH]ncc1Br	6690976	RYOGCKFRROOKCP-CNHKJKLMSA-N	407.659	3.084	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC1CCCCC1	28215464	RIPSYAVDUVRKGM-OEAKJJBVSA-N	424.457	3.186	50	40	HGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444711	QHLKFWADBOMZTC-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)O	408792588	LDXSGSLPJUOCAT-NTUHNPAUSA-N	416.817	3.453	50	40	HGGB	
COc1cccc(/C=N\NC(=O)COc2cccc3ccccc23)c1O[C@@H](C)C(=O)O	409232230	PFDLPMFHDCNHCF-PSHHWHLWSA-N	422.437	3.229	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(N)=O	409252323	DEDHALZTNQKXCU-AFPJDJCSSA-N	410.257	3.020	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(OC)cc3)cc2)cc1	3117308	PCZCLNVYHKHYLY-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1cccc(Cl)c1	5791545	AAHQBRUXJUPNNA-MRXNPFEDSA-N	402.834	3.084	50	40	HGGB	
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)NNC(=O)c1cccs1	6627302	VVQLCQQFZMSFNT-UHFFFAOYSA-N	404.300	3.013	50	40	HGGB	
CCn1c(NNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)nc2ccccc2c1=O	25097733	BXGZXFXHEAZSRP-UHFFFAOYSA-N	408.849	3.217	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1	34771163	DWHPQVYPJQJUNE-ODCIPOBUSA-N	424.240	3.179	50	40	HGGB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)c1	4502858	LDDDMQZYLFHPFQ-QGZVFWFLSA-N	414.487	3.040	50	40	HGGB	
Cc1ccccc1C(=O)NCC(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2C)o1	409159922	VYYHHOMSPHIOQX-MSXFZWOLSA-N	420.425	3.352	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1	9232169	FSJAUNRKDGNSIC-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
O=C(COC(=O)c1ccccc1SCc1ccco1)NNC(=O)c1cccs1	14201565	BJBXJCAEPJIZRU-UHFFFAOYSA-N	416.480	3.251	50	40	HGGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccccc2C(=O)O)C1=O	113480215	ZTIQPERUMLCNOO-QGZVFWFLSA-N	418.434	3.121	50	40	HGGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1ccccc1O	409036865	BVBMVFAAWAQZQF-CCEZHUSRSA-N	402.406	3.086	50	40	HGGB	
CC(C)(C)OC(=O)NCCc1ccc(C(=O)NNc2nc(O)c3ccccc3n2)cc1	1648629868	QWKGUSBWQYOBKW-UHFFFAOYSA-N	423.473	3.160	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@H]2C1	1754250	AXBUSRSBMAXMBL-RBUKOAKNSA-N	419.510	3.290	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1OCC	4358740	NBFFPSXLZQLIIT-HZHRSRAPSA-N	411.458	3.138	50	40	HGGB	
C/C(=N\NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccco1	5221250	DJFGBVYZXNRSLP-JKOZWEMWSA-N	417.421	3.320	50	40	HGGB	
O=C(NNc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	8382108	XHCUNGCGODESBD-UHFFFAOYSA-N	416.528	3.228	50	40	HGGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1ccc(Br)cc1	12808620	WVHUAEIWASXLKC-UHFFFAOYSA-N	420.288	3.478	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1	103121142	MOMBKSTZPCSBQK-GHZVMUDCSA-N	423.494	3.019	50	40	HGGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1	408708922	VKFQUSJRMSAUOV-WSDLNYQXSA-N	400.866	3.211	50	40	HGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2cccc3ccccc23)cc1C	4600183	IAEJQZFOIUGZKV-UHFFFAOYSA-N	419.481	3.402	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	4600399	ZXFICMLRPARSII-KOEQRZSOSA-N	404.466	3.480	50	40	HGGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccccc3)CC(=O)N2)cc1	6441526	SOTWDLXOJNRHQC-GOSISDBHSA-N	407.495	3.083	50	40	HGGB	
CCCSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(C)cc2)n1	27991391	ZEAJOFOCLGGVON-UHFFFAOYSA-N	409.309	3.124	50	40	HGGB	
Cc1cccc(C)c1NCC(=O)N/N=C\c1cc2c(cc1Br)OCO2	30738336	FOFKKKVSEZDSTL-WNFQYIGGSA-N	404.264	3.357	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1	409008590	YIMIFCMPTLHJDQ-QFEZKATASA-N	418.453	3.059	50	40	HGGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	409027696	GJLDFMNSCNIQMR-UHFFFAOYSA-N	424.523	3.069	50	40	HGGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1	5032235	WWCQMDHRTMHHPP-XNTDXEJSSA-N	410.426	3.435	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2	28424619	YKNWZBLXYHPYSK-UHFFFAOYSA-N	423.444	3.008	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c(C)c1	408748058	XTLRSJHSUIXLIS-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1	408906264	DYDKXMYEGGSXKD-FIOICXDGSA-N	417.531	3.089	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1O[C@@H](C)C(=O)O	409252473	RZPKKPWAUDUJAK-DZIKBWIISA-N	407.426	3.102	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409254158	HVYNBWAQPAJOSO-NTUHNPAUSA-N	402.204	3.286	50	40	HGGB	
COc1cccc(/C(C)=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)c1	5217890	APFXUYZINWAAEM-PXLXIMEGSA-N	407.430	3.311	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1	6146450	IIOWHBCCWNXONK-DEDYPNTBSA-N	415.496	3.321	50	40	HGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	6646021	PXHBVPJSEKCIHP-FYJGNVAPSA-N	400.460	3.327	50	40	HGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)Nc1ccc(C)cc1	16292988	HGCQQQFMVNUJMK-LGJNPRDNSA-N	420.391	3.473	50	40	HGGB	
CCN1c2ccccc2C2=C([C@H](c3ccc(OC)cc3)C(C#N)=C(N)O2)S1(=O)=O	20558399	NEPHGKQPDWNEIY-GOSISDBHSA-N	409.467	3.041	50	40	HGGB	
COc1ccc(C)cc1-n1c(SCC(=O)/C(C#N)=C(\C)N)nc2ccccc2c1=O	23990200	WLYQLQVLZHLNCR-JQIJEIRASA-N	420.494	3.120	50	40	HGGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@]2(C#N)C(=C(C#N)C#N)N2CCCCC2)cc1OC	35325228	FIQQPAPVEMDOQH-REWPJTCUSA-N	412.453	3.132	50	40	HGGB	
COc1cc(C)c(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC	408548879	MRFCJOPMXRUGHV-KEBDBYFISA-N	407.264	3.304	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408708816	TYQADJDNPBMPOZ-WSDLNYQXSA-N	415.291	3.253	50	40	HGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc12	1224353	KZFDYZSMGGVALV-UHFFFAOYSA-N	421.438	3.378	50	40	HGGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O	4205343	PRADFFCDGLGFOY-FYWRMAATSA-N	402.454	3.437	50	40	HGGB	
Cc1ccc2nc(/C(C#N)=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)[nH]c2c1	4600001	MXARORGUOZCFJX-NTCAYCPXSA-N	403.467	3.374	50	40	HGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1	8837461	RGZDXTUNHSKQNB-HKUYNNGSSA-N	422.876	3.384	50	40	HGGB	
O=C1[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)N1Cc1ccccc1	100548205	MYIQOLIVIODDMM-FNFFVJSTSA-N	401.098	3.109	50	40	HGGB	
COc1cccc(C(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)c1	409007560	XUFKUZVRJNDMFS-ZMOGYAJESA-N	417.868	3.490	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1)NCc1ccco1	409116609	OHBUSCROQWJDLQ-MFKUBSTISA-N	405.454	3.058	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1ccc(F)cc1	409353500	MBMKIOKVLLXVAW-SSDVNMTOSA-N	404.239	3.162	50	40	HGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	2312302	YDEMGKAGWIOEME-IBGZPJMESA-N	412.467	3.141	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2nc3ccc(C)cc3s2)cc1	4121377	JDJIUDWIXYURKG-UHFFFAOYSA-N	418.544	3.392	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCN(c3cccc(C)c3C)CC2)cc1	5488229	ZRGOLLKYVZFXLM-HEHNFIMWSA-N	404.514	3.158	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	5725222	XQPXPGBQDBIADP-BHGWPJFGSA-N	409.364	3.202	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1	6302808	BETVEQNRGNWPKS-KGENOOAVSA-N	413.524	3.402	50	40	HGGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)COc3ccccc3OC)sc2c1	12040232	VMKKYLCGPBRUHF-UHFFFAOYSA-N	420.874	3.412	50	40	HGGB	
O=C(NNS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(Br)cc1	14249870	UDZMILJJZSMSAW-UHFFFAOYSA-N	407.289	3.001	50	40	HGGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519163	AAUVZIZOFMEXJJ-LSDHHAIUSA-N	402.253	3.193	50	40	HGGB	
Cc1cccc(Nc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c1	408709322	ZOCHPPCMVJUSLL-SRZZPIQSSA-N	415.291	3.230	50	40	HGGB	
Cc1nn(Cc2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)c(C)c1Cl	888136	RZIJADKZICOVPH-UHFFFAOYSA-N	400.841	3.416	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c1OC	3088971	ZOECERONHLRVET-FOKLQQMPSA-N	409.364	3.202	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C	4545622	ALYKYHNESVLXCU-AFUMVMLFSA-N	418.453	3.180	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC	34896002	TUTXOKOZUUXEIA-ZMOGYAJESA-N	422.437	3.173	50	40	HGGB	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1	408614432	CDMRTDJMYQBWEG-CQSZACIVSA-N	420.296	3.370	50	40	HGGB	
CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2ccncc2)cc1Br	408722232	FOIGGHAMJXZDBE-CIAFOILYSA-N	405.296	3.463	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1	409055834	BITGOIPYBCEJQV-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccc(I)c(O)c2)c1C	409068617	BHEPNZKLIXFWGM-GIJQJNRQSA-N	411.243	3.199	50	40	HGGB	
Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccncc2)cc1)S(C)(=O)=O	409133119	QRAGLPCWYJLALW-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
C[C@H](CCC(=O)NN)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2032847474	YZPBDMRZRBJWSE-MELFLNCCSA-N	406.611	3.383	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	954766	KFJMTLIXCACICY-PKIICXIDSA-N	400.529	3.103	50	40	HGGB	
CS(=O)(=O)Nc1ccc(SSc2ccc(NS(C)(=O)=O)cc2)cc1	3086364	XJUZXUNKHLMDHT-UHFFFAOYSA-N	404.560	3.229	50	40	HGGB	
COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CCCC2	6826136	JKSNHZRTLSMWLO-UHFFFAOYSA-N	409.558	3.415	50	40	HGGB	
CCNC(=S)NNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1	7000594	XLBWTNFBYCHLHL-UHFFFAOYSA-N	422.620	3.137	50	40	HGGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	17363845	ZZWULIGWEDBZFS-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)OCC)=C(C#N)[C@H]1c1cccs1	20065740	QGBACIVKDQDGIK-KRWDZBQOSA-N	404.513	3.470	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC	408810778	JMVSPNAHESHZFE-YIXFDOPESA-N	400.475	3.239	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1	408865576	DANRIHVTIASPNR-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccco2)cc1	3031702	RWLPEYVOFISEMN-KKLLDSGKSA-N	402.454	3.267	50	40	HGGB	
O=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1	3111994	HOQUTPSRBHISAR-CNHKJKLMSA-N	413.173	3.339	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)c1	8811079	YPGCYJHYMXIEQO-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
Cc1cc(-n2c(C)cc(C(=O)CSC3=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N3)c2C)no1	8988095	UGMDZFDSPFIJIO-HNNXBMFYSA-N	423.498	3.337	50	40	HGGB	
O=C(COc1ccc2oc3c(c2c1)CCCC3)N/N=C/c1cc([N+](=O)[O-])ccc1O	36395101	DONGMTPMHLZOBH-SSDVNMTOSA-N	409.398	3.455	50	40	HGGB	
COc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1OC	46085090	SJMVSOVZRTXSJI-LVWGJNHUSA-N	415.449	3.385	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	409184103	FBSYNBNGEQXVRZ-FYJGNVAPSA-N	423.922	3.045	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCC#N	409375068	FCKVBDSUWCLRQW-SRZZPIQSSA-N	418.247	3.133	50	40	HGGB	
O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc(Br)c1	2751763	SLRSDFQOGDLBJU-YBFXNURJSA-N	419.235	3.226	50	40	HGGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)c3ccc(O)cc3)c3ccccc32)c1	40137491	IPPLNPBKPAIIOA-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
CC(C)[C@@H](Oc1ccccc1Br)C(=O)NNC(=O)c1ccccc1F	44279269	FSHJSYDNAQJOGI-MRXNPFEDSA-N	409.255	3.453	50	40	HGGB	
CCCCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	100175878	AZSKZYZVQVOOTQ-HEHNFIMWSA-N	416.275	3.436	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1OCC	409046709	LICKWISIOFKLBE-FSJBWODESA-N	414.845	3.172	50	40	HGGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1	3025392	PRYSRKRRLXPXRQ-YDZHTSKRSA-N	422.466	3.055	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2C)nc2c(C)cccn2c1=O	3644294	FYUHHOBJZDBLAD-SFQUDFHCSA-N	402.454	3.455	50	40	HGGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccccc4O)c(=O)c23)cc1	6166680	SKTSFMDHCGAJCH-VROXFSQNSA-N	418.478	3.289	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1cc2c(s1)CCCCC2	7404843	FKSUOZOBIZBOEC-UHFFFAOYSA-N	404.435	3.058	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1	33697638	NQQYYZQMAOBKSB-QYZOEREBSA-N	423.469	3.307	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1	40142918	KTYSXPLVFCKKLW-LJQANCHMSA-N	423.513	3.016	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccc(I)c2)c(OC)c1	59922534	YIEGTTSINKECQB-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)NC1CC1	408606685	ADISCXRYHAEHFA-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(I)o2)cc1	408789387	PLOBIKCVJSKUPY-DHZHZOJOSA-N	422.178	3.216	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409132453	ZWCBAOOZSHBPBN-RBUKOAKNSA-N	408.479	3.237	50	40	HGGB	
Cc1ccc(S(=O)(=O)NNC(=O)C(Cl)(c2ccccc2)c2ccccc2)cc1	1707178	PPEMRFKVNDOWCX-UHFFFAOYSA-N	414.914	3.487	50	40	HGGB	
CC(C)Cn1nc(C(=O)NNc2c(F)c(F)cc(F)c2F)c2ccccc2c1=O	2632507	HAUCZDZVSHMQLL-UHFFFAOYSA-N	408.355	3.366	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2)cc1	19869040	LGXBZNQMFGUKRN-OOIVEFLKSA-N	419.481	3.215	50	40	HGGB	
C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)cc3Cl)cc2C1	40058099	JZEPWPXSDOSTKD-SECBINFHSA-N	402.900	3.289	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)cc1OC	408712114	ZZQOVBPRIXEXOX-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1	409217101	RPJNIPGSSBNMGH-YDZHTSKRSA-N	405.410	3.147	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	840434	YWPZEGPQUHYRPW-SNVBAGLBSA-N	410.257	3.180	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC(=O)C1CC1	1107256	ZCMJIOSUCDPHQB-LJQANCHMSA-N	408.454	3.461	50	40	HGGB	
CCOC(=O)c1cc(NC(=O)[C@@H](Cl)C(=O)c2ccccc2)cc(C(=O)OCC)c1	3267315	KKYSFWFXBATPSB-KRWDZBQOSA-N	417.845	3.469	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)NCC(C)C	5250014	RXMAMXBFVQFCMF-WGOQTCKBSA-N	409.490	3.023	50	40	HGGB	
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1	6680405	PQQNEYSZLRTIKZ-KDVQLTRESA-N	406.394	3.095	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)cc1	12275395	CBQSXFFFWWPPQJ-HTAPYJJXSA-N	408.479	3.347	50	40	HGGB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccccc3F)nc2)C1	24969996	HDZRKUJTDOHVLC-ZIAGYGMSSA-N	421.498	3.036	50	40	HGGB	
CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)c(N3CCCC3)o2)c1	59248112	RRYXFGWUPPMNKG-UDWIEESQSA-N	405.296	3.472	50	40	HGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1OCC	408866280	DQUDCKJHPOGUCK-XDHOZWIPSA-N	420.465	3.338	50	40	HGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2	409366806	YPTDHTURNMDWPO-IFRROFPPSA-N	410.655	3.393	50	40	HGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3ccccc3)cc12	886616	AEPOHJYRCYPODV-UHFFFAOYSA-N	406.467	3.235	50	40	HGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cncc(Br)c2)c1	2661851	YLUMUGFDSNNDPB-UHFFFAOYSA-N	406.280	3.116	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1	7931450	XDIFAQCNGXVZPS-FSJBWODESA-N	406.398	3.341	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc(OC)c1OC	9187694	SJEVPMSKSGROKA-QGZVFWFLSA-N	422.416	3.460	50	40	HGGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)Nc1cc(Cl)cc(Cl)c1	17090203	QLXAVVNUEBQZQE-UHFFFAOYSA-N	415.258	3.298	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCCSc2ccccc21	25044154	DWTCMXAPUCLKRD-UHFFFAOYSA-N	405.907	3.112	50	40	HGGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1	28214799	UEIYRMZOFQBVHN-ZVHZXABRSA-N	419.437	3.182	50	40	HGGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccccc2OCc2c(C)noc2C)c1	32971036	SIEWPQUADAOYOH-UHFFFAOYSA-N	409.442	3.019	50	40	HGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC	59401562	GQNWWQOANCNREH-DJKKODMXSA-N	407.766	3.166	50	40	HGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1	59472873	KOCVPXLQGOJNLP-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	674946	ALOIRIKTOFCPCF-UHFFFAOYSA-N	403.438	3.028	50	40	HGGB	
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1)c1ccccc1	5205634	JGFJJCGIRMXRBY-XQNSMLJCSA-N	407.495	3.417	50	40	HGGB	
COc1cccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)c1	12275816	DMDQZLMOILSKQJ-GCJKJVERSA-N	408.479	3.347	50	40	HGGB	
COc1cc(C)c(/C=N/NC(=O)c2cccc(I)c2)cc1OC	33534193	RJZRFVXFTBQADA-VXLYETTFSA-N	424.238	3.381	50	40	HGGB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@]12CC[C@H](C[C@@H]1Br)C2	89787729	GXZUWSLPCHLNFS-HBFSDRIKSA-N	407.352	3.089	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1	104815364	QIOHLFKWBNQACF-SKBVVQJISA-N	417.472	3.147	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1	408611420	QWVXSAZIHMOKMM-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c1	408863937	REGKDOPBNVEHFO-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1	409003039	QUBQHVLHCJFATK-OVBDPADQSA-N	406.398	3.199	50	40	HGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc21	409339250	GDUBCQDWAORRLZ-SOYKGTTHSA-N	424.504	3.355	50	40	HGGB	
CN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21	1423086	GNENLFSZFGOMSR-DEOSSOPVSA-N	414.440	3.261	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C	4087323	FXDKYXCVAXMGNV-OQLLNIDSSA-N	402.838	3.325	50	40	HGGB	
CCOc1cccc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1O	6313994	DCTDIAICEVVWNO-AUEPDCJTSA-N	406.364	3.310	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@@H]1c1ccccc1	6496141	SGQJRBWWFBHJAY-LJQANCHMSA-N	403.507	3.343	50	40	HGGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc2ccccc2c1	20188435	JRSJKRRZWWOCAO-QOMWVZHYSA-N	400.526	3.498	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1Cl	59516248	UDARNTQVMZNMGN-DJKKODMXSA-N	410.655	3.200	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408815398	RGKUYRIAWZQVMA-PDDARNTQSA-N	421.844	3.011	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1cncc(Br)c1	3186425	DUTWMDVFTLRBSZ-ZVBGSRNCSA-N	414.215	3.420	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc2ccccc2cc1O	5093661	UKYMKFXRGSZQHI-UHFFFAOYSA-N	410.227	3.394	50	40	HGGB	
O=C(COc1ccccc1)NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	6833615	MWTBFTIWIXKCME-UHFFFAOYSA-N	412.449	3.379	50	40	HGGB	
O=C(NNS(=O)(=O)c1c(F)cc(F)c(Cl)c1F)C12CC3CC(CC(C3)C1)C2	9631081	IMAHIZOAEFWBHO-UHFFFAOYSA-N	422.856	3.283	50	40	HGGB	
CCOCc1c(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)oc2ccccc12	12541342	NPINEAFWBQAQPO-UHFFFAOYSA-N	422.416	3.369	50	40	HGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)C(=O)NCc1ccccc1	16479922	KSYYZIDDRDTTPZ-NVNXTCNLSA-N	415.243	3.136	50	40	HGGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccccc1OCc1cn2ccccc2n1	25627583	CLLOPNQYRJOANI-UHFFFAOYSA-N	418.428	3.056	50	40	HGGB	
NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3	36724764	MCJFPURHVRVVNI-UHFFFAOYSA-N	420.947	3.061	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)cc1	211893250	GXPGUILIMYSCSB-VBKFSLOCSA-N	410.426	3.435	50	40	HGGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(O)c(Br)c1	408738296	UMRROXMQTABKDZ-UFFVCSGVSA-N	400.232	3.232	50	40	HGGB	
COc1cc(Br)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC	409204891	LQJCAXUVADPZTK-FVUPAENESA-N	402.248	3.224	50	40	HGGB	
N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	1423065	KOJXDNXALAQDAN-QHCPKHFHSA-N	400.413	3.237	50	40	HGGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(CCCc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	5164633	RJUYPPNGFDEENW-DEOSSOPVSA-N	411.465	3.070	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1	5248509	DNHRITYZPJSTPK-GOSISDBHSA-N	404.426	3.408	50	40	HGGB	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	6406135	XSEWQIKGZVRHGT-UAIBDEAXSA-N	401.466	3.465	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1	6560605	MAMNKLPWVIFTPT-UHFFFAOYSA-N	407.426	3.314	50	40	HGGB	
O=C(N/N=C/c1cccc(F)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12	7698945	MLHRCTSBYGUUCZ-AFUMVMLFSA-N	400.413	3.348	50	40	HGGB	
O=S(=O)(C[C@@H](Br)CBr)c1ccc(Br)cc1	101053238	FDLHYQLUHVFYLN-QMMMGPOBSA-N	420.948	3.381	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1	408607409	CQCCHHDBSSBGFS-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(C(F)(F)F)c1	408965204	UONNIIARGLXIAA-FMCGGJTJSA-N	422.363	3.214	50	40	HGGB	
O=C(CCCCl)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	2210371	DHBBLKFYPVDXFT-UHFFFAOYSA-N	409.861	3.374	50	40	HGGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccccc1Br	3663514	BUFNAPWMWDQPHW-HADWXUJASA-N	401.260	3.379	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1OCC	13847799	LKRDCWKBDWBRAP-CIAFOILYSA-N	401.419	3.230	50	40	HGGB	
COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(N)=O)cc1OC	44790515	UEHINYQMXOXCSH-SXGWCWSVSA-N	406.417	3.147	50	40	HGGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915765	IRMVHTHWDLTMGR-HBBMIWKISA-N	414.487	3.062	50	40	HGGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408612728	YMSXIQASSSTXSQ-JVWAILMASA-N	419.456	3.214	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C)cc3)cc2)cc1	408847020	SGCOXOFWPLFEPW-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cc1ccccc1	8567567	OBEOQQJHQLYFLK-NSHDSACASA-N	411.683	3.260	50	40	HGGB	
N#Cc1cccc(/C=N/NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1	11123126	PGOGJZOUGRCLEA-MFKUBSTISA-N	407.437	3.024	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)c([N+](=O)[O-])cc1OC	20760268	BKZOJGGXLAUAJQ-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1cccc(C(=O)O)c1	408854499	GVSOUVVCCUEMFQ-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
COc1ccc(Br)c(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1	2651575	HSGAJYAYFDEKHO-UHFFFAOYSA-N	413.655	3.195	50	40	HGGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH]c2c1	9263570	QNWBOFDJZLVQCL-XNTDXEJSSA-N	405.414	3.380	50	40	HGGB	
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12	9381473	FAJCZSCKLGMENY-SECBINFHSA-N	423.853	3.329	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	20760133	KHJUPHMPRHAKFL-RGVLZGJSSA-N	405.248	3.155	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc([N+](=O)[O-])c1O	36656916	NMNUPQCXRTXYNT-UFFVCSGVSA-N	401.419	3.153	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OC	1106927	BTIBUYWHKDNKFI-INIZCTEOSA-N	403.232	3.390	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	1917613	JXIXTZRROASWEP-MHWRWJLKSA-N	407.382	3.032	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(OC)cc3)c2)cc1	8116983	XVXGHYNCKYQJOJ-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C[N+](C)(C)C)cc1C	17195480	MTUJGAHUSAUSDG-NCELDCMTSA-O	417.574	3.206	50	40	HGGB	
COc1cc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc(OC)c1OC	985170	RBPNQSBZLHTEKK-QGZVFWFLSA-N	422.416	3.460	50	40	HGGB	
Cc1ccccc1N1C(N)=C(C#N)[C@@]2(C(=O)N(C)c3ccccc32)C2=C1CCCC2=O	4944742	LRWHUROXWCSMBX-RUZDIDTESA-N	410.477	3.430	50	40	HGGB	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1cc2c(s1)CCCCC2	8167227	IFPVHZXBQRJQBF-QGZVFWFLSA-N	415.540	3.281	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)C(C)(C)[C@H](C#N)C(O)=N2)c([N+](=O)[O-])c1	8755734	QCRUHSSMRTZNSD-LLVKDONJSA-N	415.431	3.146	50	40	HGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)oc2ccccc12	12973733	RVPRRLLDXLBKCQ-UHFFFAOYSA-N	409.261	3.127	50	40	HGGB	
O=C(N/N=C\c1cc(Br)cc(Cl)c1O)[C@@H]1COc2ccccc2O1	13596381	HYODFNHGOIMUAL-FDFSMXBESA-N	411.639	3.098	50	40	HGGB	
Cc1ccc(SCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1C	15945430	GRZYKXVZFVZYLZ-UHFFFAOYSA-N	424.526	3.148	50	40	HGGB	
C/C(=N/NC(=O)c1ccccc1O)c1cccc(NS(=O)(=O)c2ccccc2)c1	17088238	WNBDBCKPCGSRMG-JCMHNJIXSA-N	409.467	3.347	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CC[C@H](Br)C(=O)Cc3ccccc32)cc1	228980513	JFMUHWQPIHYFKS-INIZCTEOSA-N	408.317	3.469	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c(OC)c1	2247506	YYEALYQFOFSZQQ-FQEVSTJZSA-N	419.437	3.033	50	40	HGGB	
COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1O	3166265	LPFIVDWIIJFFDY-FOKLQQMPSA-N	409.364	3.289	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)[C@@H]1COc2ccccc2O1	3337719	GEIIBADFXVPJIG-ZYXQSXTMSA-N	414.311	3.180	50	40	HGGB	
COC(=O)c1ccc(Cl)cc1N/C=C(\C#N)S(=O)(=O)c1ccc(OC)cc1	9303808	DQKZJMBJAZPHES-RVDMUPIBSA-N	406.847	3.386	50	40	HGGB	
CCOc1cccc(/C=N/NC(=O)CNc2ccc(I)cc2)c1	408587742	GYOCPJZMWPZIRF-RGVLZGJSSA-N	423.254	3.252	50	40	HGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409007557	XSCPNYCEOJBPSJ-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	409199147	NYDJICYIONCMLM-JENJNIGESA-N	422.481	3.355	50	40	HGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1	409218299	HUNIIHAPWCHYDS-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
CSCc1c(C(=O)NNC(=O)Cc2nc3ccccc3n2C)oc2ccccc12	5268255	ASGBAJOPMWQNSF-UHFFFAOYSA-N	408.483	3.186	50	40	HGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ncccn3)o2)cc1	58918811	FQFZHKNOXWWGMA-FSJBWODESA-N	410.455	3.156	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1C	408615226	NRDVESCHDVVWFK-SFHVURJKSA-N	407.514	3.415	50	40	HGGB	
COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(Oc3ccccc3)c2)C(C#N)=C(N)O1	4952220	BQGAGJYCNCWSST-LJQANCHMSA-N	410.401	3.499	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC3CCCCC3)c2C)cc1	58914056	CTDWLOHQCIVOOS-IWIPYMOSSA-N	410.518	3.392	50	40	HGGB	
CC1(C)[C@]2(C(N)=O)CC[C@]1(C(Br)Br)[C@@H]2Br	169799684	WRGBBEYNVBRDQZ-MPWNKIQUSA-N	403.940	3.158	50	40	HGGB	
C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409124952	CNSOILIMXLZULD-SFHVURJKSA-N	412.287	3.191	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10475987	NCQLVLVRUGWTIC-OEAKJJBVSA-N	400.862	3.452	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(O)c(I)c2)c(C)c1	30760605	SBEYYPNPOROEPJ-OCKHKDLRSA-N	424.238	3.143	50	40	HGGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc([N+](=O)[O-])c1	30809184	ALNGKZHHBOPWDH-NHDPSOOVSA-N	407.342	3.454	50	40	HGGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-]	33708953	ZIYHYJMBHFHGHV-ODLFYWEKSA-N	406.236	3.449	50	40	HGGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(Cl)cc2)s1	98055316	YMCVOAVRLPCHSX-XLTHYULKSA-N	411.936	3.279	50	40	HGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	408527946	GUXRWRZRWCGIDW-BHGWPJFGSA-N	420.347	3.188	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl	408729356	ZEDIUWFOGWSRDE-UFFVCSGVSA-N	414.805	3.334	50	40	HGGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	408732126	SICSRGOHAGWVIX-WSDLNYQXSA-N	403.467	3.496	50	40	HGGB	
COc1ccccc1C(O)(C(=O)N/N=C(\C)c1ccccc1O)c1ccccc1OC	4844031	NAWGMBHTDAVAKB-PCLIKHOPSA-N	420.465	3.186	50	40	HGGB	
CCOC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1	8024825	LFLAKMLVYUEQRF-UHFFFAOYSA-N	412.265	3.154	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC	10038236	IWTRUQYJSGUZDC-AWQFTUOYSA-N	421.247	3.349	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	20197352	OEBDPCYGANQQIU-SSDVNMTOSA-N	420.849	3.365	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	58913407	MNBVCZGEBAEPKN-ZVHZXABRSA-N	420.469	3.200	50	40	HGGB	
Cc1c(Br)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1Br	408919296	WBDCQKBCAKSAOX-CAOOACKPSA-N	420.101	3.123	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)cc1	409006526	ONMWBHWBWJYPQU-KOEQRZSOSA-N	421.497	3.263	50	40	HGGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cccn1-c1cccc([N+](=O)[O-])c1	409015395	MUNRWYGTKKPXAU-OYKKKHCWSA-N	415.409	3.463	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C	409016997	USKMVONHJWEWCI-QRVIBDJDSA-N	407.426	3.378	50	40	HGGB	
CC(C)n1cc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2)c2ccccc21	409157970	WJYSALXJFNTFCZ-ZRWQFTNJSA-N	406.486	3.256	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1	2056338	JRHZHVGGCZWYHH-IRXDYDNUSA-N	407.499	3.409	50	40	HGGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC	8812886	LFQPCIKKVPGPGA-CIAFOILYSA-N	417.259	3.242	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	3178520	WMNQEPQRAPYODA-IMRMQAIZSA-N	404.239	3.091	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)c1cccc(C)c1O	4691338	UJJZKTONDRWLSV-SRZZPIQSSA-N	404.810	3.397	50	40	HGGB	
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1	19950350	FIIPMYRAAVPTTC-UHFFFAOYSA-N	403.479	3.457	50	40	HGGB	
Nc1ccccc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1	32116977	LZXNXKCINKXBAY-WSVATBPTSA-N	413.069	3.263	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	59518815	LSRZJBWFKXEQBN-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)O	408566926	JFQUKSIUISAHEQ-LSHDLFTRSA-N	404.850	3.122	50	40	HGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1	408777737	HNSFXBOZRHDSIB-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC)c1	408912719	RSLWEALVWAZRLZ-PCLIKHOPSA-N	420.465	3.099	50	40	HGGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3c(F)cccc3Cl)CC2)cc1	1095072	RZUQXXLXBIDQNG-ZMOGYAJESA-N	417.868	3.490	50	40	HGGB	
N#C/C(=C\N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	5489393	BNJGJDXMWVVOSV-XMHGGMMESA-N	405.882	3.440	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nc2ccc(C)cc2[nH]1	6908875	GRIWNJFOELJKAD-UHFFFAOYSA-N	404.879	3.087	50	40	HGGB	
CC1=C(C(N)=O)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N1	8623938	IZCWLXUWZIACEC-FQEVSTJZSA-N	422.510	3.450	50	40	HGGB	
CCN(CC)C[C@H](C(=O)Nc1c(C)cccc1C)/C(C)=N\NC(=O)c1ccncc1	17211471	BSZZXVQQFQKMQO-XGDNCFSYSA-N	409.534	3.401	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2438019	YXDXTRULNNQKFJ-HXUWFJFHSA-N	414.421	3.331	50	40	HGGB	biogenic
CCC(CC)=NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1	16609779	WVYJFODGEWCSOS-UHFFFAOYSA-N	401.532	3.212	50	40	HGGB	
C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NNC(=S)NC1CCCC1	17092433	LABRTPVTPDXMMV-VIFPVBQESA-N	420.760	3.308	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)cc1	225584357	VLPKQCCRHBLLBM-UMGGQSCQSA-N	414.502	3.320	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409364157	NFJXXPYYQYFCMZ-YDZHTSKRSA-N	406.394	3.109	50	40	HGGB	
COc1cc(C(=O)NNC2=NC(C)(C)Cc3cc(C)c(C)cc32)cc(OC)c1OC	821592	KJXCVWMPSINSNL-UHFFFAOYSA-N	411.502	3.345	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1ccccc1	28215481	SQASKUQALNKDJM-OEAKJJBVSA-N	418.409	3.376	50	40	HGGB	
CCSc1nc2sc3c(c2c(=O)n1C[C@H](O)CBr)CCCC3	45951909	HWVVTSBNMBHRGK-SECBINFHSA-N	403.367	3.205	50	40	HGGB	
COc1ccc(C2=N[C@](NC(=O)c3ccc(F)cc3)(C(Cl)Cl)C(=N)N2)cc1	101411698	UYXHBVKANBCWTP-SFHVURJKSA-N	409.248	3.091	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C/c2c(C)n(CC(=O)OC)c3ccccc23)cc1	408711997	UPFFDOVILPPVKF-ZVHZXABRSA-N	407.470	3.214	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	3072509	YWSBCLBJFAJXTC-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC	3100327	HCCXWKZXFBOECE-KOEQRZSOSA-N	404.466	3.480	50	40	HGGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1cccc(C)c1)OCO3	13503614	XCXQTKUMXTYEBP-UHFFFAOYSA-N	423.494	3.388	50	40	HGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)ccc21	16363859	JBIJKDGQQIYWNY-UKTHLTGXSA-N	411.259	3.185	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2ccccc2C)cc1	20059076	JUHHIARCRJSHEZ-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1	408708042	NPLLUCZDUGLPSK-RGVLZGJSSA-N	403.280	3.167	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(I)cc2)cc1	408712074	YJHUOXSXYPXZKE-UNOMPAQXSA-N	408.239	3.383	50	40	HGGB	
N#C/C(=C/c1cc([N+](=O)[O-])c(O)cc1O)C(=O)Nc1cccc(Br)c1	408759944	OQWGOOBFPDUCCI-WMZJFQQLSA-N	404.176	3.314	50	40	HGGB	
O=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1	4524479	CTOBDBIQCIDLBY-UHFFFAOYSA-N	405.366	3.035	50	40	HGGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC)c(OCC)c2)cc1	20197974	MFVQVQSAWDFQQG-OEAKJJBVSA-N	414.458	3.190	50	40	HGGB	
O=C(COc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58883260	CILZHWHUFYSSGQ-QFEZKATASA-N	421.428	3.372	50	40	HGGB	
N#C/C(=C\c1cccc(OCCn2ccnc2)c1)C(=O)Nc1ccc2c(c1)OCCO2	96314842	BDSDXUQZFSOXLE-LDADJPATSA-N	416.437	3.279	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1O	408968562	XHHWKSAUUBDADO-ZVBGSRNCSA-N	406.211	3.328	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1O[C@H](C)C(=O)O	409013809	VWBOVVMKYPGUQA-JZOCJUILSA-N	421.247	3.074	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1	667503	RVDKUVPGPKQADV-CIAFOILYSA-N	424.486	3.424	50	40	HGGB	
O=C(N/N=C/c1cccn1-c1ccc(I)cc1)c1ccccn1	1005785	AGHFMHOLQQGGSX-UDWIEESQSA-N	416.222	3.241	50	40	HGGB	
O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)ccc1O	408764513	UGUBRHORYJSQEX-UFFVCSGVSA-N	400.232	3.232	50	40	HGGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	664414	CGEYVVNAJSOHGF-HXUWFJFHSA-N	413.481	3.440	50	40	HGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)o2)cc1	2336270	GJYUCDPVUCXLNY-UQQIOGDDSA-N	420.421	3.413	50	40	HGGB	
Cc1cc2occ(CC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2cc1C(C)C	2656683	PEWOPSIGHBCCMS-NRFANRHFSA-N	408.454	3.395	50	40	HGGB	
O=C(CSc1nnc(Nc2ccccc2F)s1)NNC(=O)c1cccs1	3446460	HQEWZXLBUGSISX-UHFFFAOYSA-N	409.493	3.036	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1	5408747	AKFRZPXALHZVJD-HNNXBMFYSA-N	410.455	3.382	50	40	HGGB	
COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1OC	5525584	YAMITPRQCKRRCU-NBVRZTHBSA-N	417.469	3.185	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc3ccccc23)nc1	11006689	CAOHMEQRFVTLGC-UHFFFAOYSA-N	413.503	3.414	50	40	HGGB	
C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NNC(=S)NC1CCCC1	17092432	LABRTPVTPDXMMV-SECBINFHSA-N	420.760	3.308	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(Br)c1O	32138775	RQZKHHFELQBFCF-UWVJOHFNSA-N	407.220	3.046	50	40	HGGB	
COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(C)nc3)cc2OC)cc1	39402881	IROZICQXHZQPPD-MXAYSNPKSA-N	419.437	3.390	50	40	HGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc(Br)cc1	218740999	HBLGGGNJJGWUPN-UHFFFAOYSA-N	402.248	3.035	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1C	408614407	BXCKTVJVFHQOQS-AWEZNQCLSA-N	420.296	3.424	50	40	HGGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3cccs3)c(=O)c21	1262959	NCZIQRIFACGTEW-IBGZPJMESA-N	405.479	3.493	50	40	HGGB	
CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1	6262864	ZQDLGDNCEXVWFP-UHFFFAOYSA-N	405.907	3.324	50	40	HGGB	
CCn1nc(C(=O)N/N=C2\C(O)=Nc3ccc(C(C)C)cc32)c2ccccc2c1=O	8484571	YVYKSVFHTWEJTI-UHFFFAOYSA-N	403.442	3.276	50	40	HGGB	
O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NNC(=O)c1ccc2c(c1)OCCO2	32764568	HMXOKOGASWPCTC-SOFGYWHQSA-N	409.829	3.134	50	40	HGGB	
Cc1ccc(-n2nnc(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2C(C)C)cc1	40144165	KDVYLVFHRCAOEA-UHFFFAOYSA-N	409.515	3.324	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O)c1cccc(Br)c1	59459110	DOHMYVQFUKELMB-AWQFTUOYSA-N	415.203	3.375	50	40	HGGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cc(C4CC4)nc4onc(C)c34)[nH]n2)cc1	89640986	RNOQLRAGZKNQIL-UHFFFAOYSA-N	416.441	3.182	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C	408592490	YOZUNDUWYULRBH-GQBLCDNYSA-N	405.454	3.064	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)c1	408592629	ZUFXQNCIFJLPBG-JHXRPTDYSA-N	405.454	3.064	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCc1ccc(Cl)c(Cl)c1	408606928	BDANBDBRXLXECB-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1C(=O)O	409212470	QJUNQULRTOLFLR-WSDLNYQXSA-N	406.398	3.464	50	40	HGGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)/C=C/c1cccs1	2448184	MIMKBKGPDPZVSW-MDZDMXLPSA-N	412.496	3.060	50	40	HGGB	aggregator
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cccc2ccccc12	3115980	FUHBAICFZASNMU-SRZZPIQSSA-N	424.369	3.194	50	40	HGGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccn1	3155012	QOQBMQNOJXIHTF-QGMBQPNBSA-N	413.069	3.379	50	40	HGGB	
Cc1c(C)n2c3c(=O)n(CCCCl)c(=O)n(C)c3nc2n1-c1cccc(Cl)c1	10049105	ICJVDXGJVFDYFO-UHFFFAOYSA-N	420.300	3.038	50	40	HGGB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12	31164217	YOWISNGQSRPIPP-AKRZDELNSA-N	402.487	3.374	50	40	HGGB	biogenic,in-vitro
COc1ccc(C(=O)NNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1	32895461	PPSSGLCOMHQPNK-UHFFFAOYSA-N	408.458	3.262	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)C1CCCCC1	34882512	HHBHXDLKQBHXOT-GRSHGNNSSA-N	406.335	3.038	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1c[nH]c2ccccc12	40144773	ZYGAQFXZOXOTHO-UHFFFAOYSA-N	405.433	3.113	50	40	HGGB	
C[C@@]12[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@H]([C@H]5[C@H]1[C@H]4I)[C@@H]2I	100884672	YYOJUCRKMCIPST-SYQMOTIOSA-N	412.052	3.371	50	40	HGGB	
C[C@]1(CI)[C@H]2CC[C@@]1(CI)C(=O)C2	222179928	CYRISYJUPUQPCV-UJNFCWOMSA-N	404.029	3.232	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	409326210	IFOPRHHSOVVYJQ-SFHVURJKSA-N	407.495	3.083	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1ccccc1)C(C#N)=C(N)O2	1476206	XQVRUBPAGNIUMF-OAQYLSRUSA-N	413.433	3.152	50	40	HGGB	
COc1cc(C(=O)N/N=C/[C@@H](C)Cc2ccc3c(c2)OCO3)cc(OC)c1OC	5919536	HYFSAWZLXFPYAR-YSRRJJCPSA-N	400.431	3.036	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2Br)c1	6997234	YCTCKWHYHIVLRS-UDWIEESQSA-N	404.264	3.327	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1	24716271	IXSXLYGBLMCRHA-UHFFFAOYSA-N	415.446	3.335	50	40	HGGB	
O=C(N/N=C\c1cc(Br)c(I)o1)c1ccco1	33305277	YOUZMMNKZUJIBI-ACAGNQJTSA-N	408.977	3.004	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)n1	408895197	UGRVIYCSIQOEQN-UFFVCSGVSA-N	414.922	3.483	50	40	HGGB	
CCCOc1ccc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1	1903555	XVZBABDMPGDOIC-SAPNQHFASA-N	404.422	3.222	50	40	HGGB	
COc1cccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2cccc(OC)c2)c1	12275813	DMDQZLMOILSKQJ-AVRDEDQJSA-N	408.479	3.347	50	40	HGGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	13923719	XVRVAYXHQFERIU-CVKSISIWSA-N	405.429	3.171	50	40	HGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c1C	21676865	MHXUXNZLPCYIRA-OOIVEFLKSA-N	420.513	3.304	50	40	HGGB	
NNC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1	57054057	SZWFOXJMXQEGLC-OAQYLSRUSA-N	408.889	3.261	50	40	HGGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1	59566524	MXTZCGBWHFZOFH-ZVHZXABRSA-N	420.469	3.200	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)OC	409229108	JXGUKZZKEPZKAH-JJBLJPBOSA-N	408.454	3.421	50	40	HGGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(C(N)=O)cc1	409379652	ZEHDVTJIVBQWLZ-PDGQHHTCSA-N	400.438	3.444	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2237344	DNDIKRURYGASHQ-OAHLLOKOSA-N	406.269	3.328	50	40	HGGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O	20212058	WSFNZIWKHWGIBX-UHFFFAOYSA-N	415.943	3.331	50	40	HGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cccc([N+](=O)[O-])c4)ncnc32)c(C)c1	26894935	XPMOYAHLTJEHTL-UHFFFAOYSA-N	403.402	3.097	50	40	HGGB	
Cc1ccc(N(C)C(=O)NNC(=O)C[C@@H](C)n2nc(C)c(Br)c2C)cc1	28295848	HAHFRKKAFPBCNX-GFCCVEGCSA-N	422.327	3.399	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2	59516225	LLVCJDMGVZMROG-ZMOGYAJESA-N	417.421	3.083	50	40	HGGB	
C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc4c(c3)COC4=O)o2)C1=O	100803139	PYJSPNHHQFNFSO-VCHYOVAHSA-N	400.390	3.395	50	40	HGGB	
C[C@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	100859889	GZLDHLQJQPOCIY-GMOUUERTSA-N	419.157	3.487	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(=O)O	107787518	HMLOUGFNYCPYOZ-ZMOGYAJESA-N	422.437	3.474	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)N3CCOCC3)c2)cc1C	409006286	IOYDDHIDZSJFEU-MOSHPQCFSA-N	419.481	3.087	50	40	HGGB	
COc1ccc(C2=Nc3ccc(C)cc3[C@@H](c3ccccc3)N2CC(=O)NN)cc1	915505	FJBVDRPYKFVTSD-HSZRJFAPSA-N	400.482	3.477	50	40	HGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	971444	KBNSVEHANHXYOP-XMMPIXPASA-N	415.449	3.032	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)c1	20060315	MDQYJISNLBLKHP-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c1	59472750	JWRQNQMWTQCWQE-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408708005	NDQCVLDMSSCTHM-WSDLNYQXSA-N	417.307	3.477	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccccc1	409130171	KOJOPAQUJVYVAE-MSOLQXFVSA-N	423.450	3.266	50	40	HGGB	
CC(C)CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	409133696	MJFDRENEYHYXJS-PXLXIMEGSA-N	417.531	3.271	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C(C#N)C=CN2[C@H]3C(=O)c2ccccc2)cc1	16037654	QXAZVKPNPDQSMN-MYGLTJDJSA-N	409.445	3.014	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)c1	408535524	YTECYTFCGKXGHF-ZVHZXABRSA-N	405.454	3.410	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Br)cc1	408607666	UFPHLUCACPSYGF-CQSZACIVSA-N	419.304	3.397	50	40	HGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	408608551	HPLYFKUSZZRABO-JFLMPSFJSA-N	419.456	3.480	50	40	HGGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(O)c(Br)c1	408766110	ZKYKCPKVSKDVBS-QGMBQPNBSA-N	405.277	3.273	50	40	HGGB	
O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1cc2cc(Br)ccc2o1	408852100	IEHSTSZFGOGPEN-JAIQZWGSSA-N	418.247	3.389	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(Sc2ncccn2)o1)c1ccncc1	409103516	ACNYOFHWZZULFR-AWQFTUOYSA-N	404.249	3.142	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409264763	PYJHKCRUGXWKSF-SRZZPIQSSA-N	409.354	3.326	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c(O)c1	409392334	PAZFXVNODAUBAU-SRZZPIQSSA-N	411.370	3.342	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1	2056337	JRHZHVGGCZWYHH-DLBZAZTESA-N	407.499	3.409	50	40	HGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc3ccccc3c2)c(C)c1	2132099	OHYJZEOQTQVODU-UHFFFAOYSA-N	419.481	3.402	50	40	HGGB	
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccncc1	2742733	FLYAAEJWOSHHLV-ZMOGYAJESA-N	421.530	3.022	50	40	HGGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccccn1)c1cccs1	3185063	UODRIKSSIWVWEJ-RUDKWAFVSA-N	417.494	3.116	50	40	HGGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)C(=O)NC1CCCCC1	100089816	ODNHYXIPQGZOHW-FOKLQQMPSA-N	413.305	3.263	50	40	HGGB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C	104897647	NGJGEZOOIPNHAW-FRPUODKISA-N	405.564	3.337	50	40	HGGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCCCC3)nc12	2201557	CZTCBZCVSCUZID-OBGWFSINSA-N	419.529	3.349	50	40	HGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	5889272	QAJPKRJMLARELK-UHFFFAOYSA-N	400.225	3.470	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	12872162	DHTBJPOHACCPLO-UHFFFAOYSA-N	409.439	3.020	50	40	HGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCOCC3)c2C)cc1	13388318	DHVUBAWDJAMMPV-ZHZULCJRSA-N	407.470	3.037	50	40	HGGB	
C[C@H](CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2)NC(=O)c1ccccc1	22975091	KMILWEOBSDXSMR-OAHLLOKOSA-N	413.543	3.377	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1[N+](=O)[O-]	107611279	JUJFHLAXUBLFFF-YBFXNURJSA-N	402.363	3.064	50	40	HGGB	
N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1ccc(O)cc1	408793997	HAOIQINXKGOCPG-YRNVUSSQSA-N	406.179	3.248	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	408941815	QNXACICGFISJJV-KIHMUJGBSA-N	419.323	3.221	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)o1	8884304	XOBMKKZXDFJTSQ-UHFFFAOYSA-N	417.365	3.377	50	40	HGGB	
Cc1ccc(N(C)S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)NN)cc1	12415343	RSFBSXLZIDEGGI-UHFFFAOYSA-N	401.513	3.152	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	16218666	QETMUCMBZIJTRQ-UHFFFAOYSA-N	415.258	3.298	50	40	HGGB	
O=C(NNC(=S)NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1	34966845	UZLCRQSEBRHEJG-UHFFFAOYSA-N	412.696	3.052	50	40	HGGB	
Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c[nH]c4ccccc34)s2)c1	59498643	JAFRQYWAAZFUFS-FSJBWODESA-N	418.482	3.273	50	40	HGGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	408587937	HTRDQMFCWMKWDJ-LFVJCYFKSA-N	418.453	3.277	50	40	HGGB	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1	408783581	NBZLMONWACWCAA-VBKFSLOCSA-N	412.287	3.410	50	40	HGGB	
O=C(O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1	409006499	OGMWRYYOGLGENO-YDZHTSKRSA-N	413.861	3.041	50	40	HGGB	
CCOC(=O)c1csc(N(NC(=O)CCl)C(=O)Nc2ccc(Cl)cc2)n1	1415212	TZLCVDTYWUICHF-UHFFFAOYSA-N	417.274	3.282	50	40	HGGB	
COc1cc(C(=O)N/N=C\c2cc(C)n(C)c2C)ccc1I	408786921	XQZJSZJHCGSDEM-NVMNQCDNSA-N	411.243	3.019	50	40	HGGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409003358	SEMKQNBUKARWPZ-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1C	409060901	ZFKIBZXOACNICE-ROTLSHHCSA-N	419.872	3.447	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1Br	409197082	VLMGNTQTHFTPIN-VPNURPJOSA-N	402.248	3.224	50	40	HGGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	409199144	NYDJICYIONCMLM-DQYQWZCESA-N	422.481	3.355	50	40	HGGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)nc2n1	1081902	WZOCLKZANWTIQM-YDZHTSKRSA-N	400.442	3.084	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1	1687588	WQZBJECPVQLPCI-CYKDIAAXSA-N	418.469	3.075	50	40	HGGB	
C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)N/N=C/c4ccccc4F)c(=O)c23)C1	4367742	SZMZLKYRRPAFIU-CXQCRDLUSA-N	412.490	3.433	50	40	HGGB	
O=C(CSc1nc2ccccc2s1)NNS(=O)(=O)c1ccc(Cl)cc1	12934761	HTKVGDYDQDNXPA-UHFFFAOYSA-N	413.933	3.052	50	40	HGGB	
COc1ccc(C=NNC(=O)c2cccnc2)cc1COc1ccc([N+](=O)[O-])cc1	15987629	MXVITEIGVPNTBI-UHFFFAOYSA-N	406.398	3.341	50	40	HGGB	
Nc1scc2c(C(=O)N/N=C/c3ccccc3)nn(-c3ccc(Cl)cc3)c(=O)c12	16450996	JRMLDVYNXVHMFG-AUEPDCJTSA-N	423.885	3.447	50	40	HGGB	
CCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)n1	27991224	NKEYYQNIHSSIKX-UHFFFAOYSA-N	415.700	3.079	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	408826598	HLOZOFADQLPYAS-RGVLZGJSSA-N	406.280	3.053	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1O[C@@H](C)C(=O)O	409237190	IBJKZBWLFQXPGN-JHAVZTMOSA-N	412.398	3.066	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccc(Br)c1	704475	NWGICPZTNCOPRQ-UHFFFAOYSA-N	423.064	3.298	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(OC)cc(OC)c1	1026281	BQUVGFHAURUTFV-IBGZPJMESA-N	406.438	3.486	50	40	HGGB	
CC/C(=N\NC(=O)CCCC(=O)N/N=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1	5727585	XQEPYHKOUIYRHB-CTWPWMDCSA-N	424.501	3.429	50	40	HGGB	
CC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	7520147	NRPAYDRUZUMPKL-UHFFFAOYSA-N	403.287	3.404	50	40	HGGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccnc1	30814081	OSNXPMMXKYSDNQ-NHDPSOOVSA-N	407.342	3.454	50	40	HGGB	
COc1ccc(Br)cc1C(=O)n1c(C)c(C(=O)NN)c2ccccc21	226367130	GEYHWWXTVCBRCB-UHFFFAOYSA-N	402.248	3.013	50	40	HGGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408921539	BCQDJPRRMGPQSZ-WUXMJOGZSA-N	401.762	3.257	50	40	HGGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OC(=O)c1ccccc1	979594	UBAXTQIKEUFKCK-KEBDBYFISA-N	406.236	3.069	50	40	HGGB	
CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Br	2272832	UEGIQMKLDSWLHQ-QWHCGFSZSA-N	413.312	3.373	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc([N+](=O)[O-])c1O	31833847	BYHVGCZGFWQIIQ-JJFYIABZSA-N	408.414	3.433	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC	408747261	LFXOPDKMUNPTFL-PXNMLYILSA-N	414.845	3.124	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCC#N	409022504	FIBFCVCHQFSQKO-QFEZKATASA-N	404.426	3.065	50	40	HGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1OC	704640	UXPVVBPDLLHMIP-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21	2709965	TZWDPFZKHIIADA-NRFANRHFSA-N	414.465	3.217	50	40	HGGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	7402932	AUYPMNOODWJFAR-CYBMUJFWSA-N	411.549	3.127	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1	20209729	JMPFXRCWOLCWMO-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(I)c1OC	47080978	NVYXUUOCHLKLBB-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2O)cc1	100811163	UESDQGVKIYKYQW-WGOQTCKBSA-N	419.481	3.409	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1	105975364	GCRSFEABFCYYIJ-XUVXKRRUSA-N	419.506	3.476	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCc1ccccc1Cl	408613368	ZJYPANOIWQOURL-WYMPLXKRSA-N	417.893	3.150	50	40	HGGB	
COc1ccc(C)cc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(C)cc1	408785839	ZWFZURPGJIDORJ-UHFFFAOYSA-N	403.504	3.019	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	408828209	LBVGIINPVZORCC-OEAKJJBVSA-N	424.457	3.058	50	40	HGGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1ccc(-c2ccc(F)cc2)o1	408975183	IZAMYJIWFAVFES-UUYOSTAYSA-N	422.445	3.304	50	40	HGGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N)cc2)c1	409008665	ZMZFPLHZTGGZLL-AFUMVMLFSA-N	402.454	3.359	50	40	HGGB	
COc1cccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1OC	5525385	GXJIQSAQNXFOJT-OBGWFSINSA-N	417.469	3.185	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)n1	6964278	HDMHOQPKWKWNKH-RGVLZGJSSA-N	410.459	3.035	50	40	HGGB	
CCc1c(C(=O)NNc2nc3ccccc3c(=O)n2CC)cnn1-c1cccc(C)c1	29860931	FCMJPTUGMGYLCL-UHFFFAOYSA-N	416.485	3.230	50	40	HGGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(O)c(/C=N\NC(=O)c2ccccc2)c1	35935788	JXULYGLESOOVGM-MQDDAKQZSA-N	400.438	3.228	50	40	HGGB	
O=C(CCCCCCCCC(=O)NCCBr)NCCBr	5188199	SXTJZLWUEDFCCH-UHFFFAOYSA-N	414.182	3.129	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	8913830	OXNXSIXRPCVVGL-YDZHTSKRSA-N	406.398	3.484	50	40	HGGB	
CCOc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	20130599	TXYYQDMIHGHPIO-BUVRLJJBSA-N	414.937	3.007	50	40	HGGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)N[C@H]1CCS(=O)(=O)C1	26965392	ZUUAHCMWSGLQQZ-CTXBLAANSA-N	424.400	3.176	50	40	HGGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1C(=O)O	44965640	NVLDJPVDDABAME-ZVHZXABRSA-N	415.877	3.479	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	408601892	CDNLOEFTTADUOB-YSURURNPSA-N	424.259	3.464	50	40	HGGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCc3ccccc3)c2C)c1	408971916	LXQCARSQBXARFR-CVKSISIWSA-N	402.498	3.477	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cccc(C)c2)cc1	409185039	QJQDEFPDOWXIHX-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Cl)ccc1O	1434321	ICIVYFHTRZWYCJ-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
CCOC(=O)C1=C(CBr)NC(=O)N[C@H]1c1cccc(Br)c1	4289061	VWMLJOOPCLMVOD-LBPRGKRZSA-N	418.085	3.015	50	40	HGGB	
C/C(CC(=O)NCc1cccnc1)=N/NC(=O)Cc1ccc(-c2ccccc2)cc1	4358392	WWEVBNOTJOQQGM-IMRQLAEWSA-N	400.482	3.490	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21	6318969	BMEIOVJAESTLPR-ZVHZXABRSA-N	407.470	3.214	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@H]1c1ccccc1	409148438	ZDOFTPSDXGOCRE-MSOLQXFVSA-N	423.450	3.266	50	40	HGGB	
CC(C)c1ccc(-c2csc(NC(=O)N[C@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1	575425430	DVXHMNXOASOHLQ-HIFRSBDPSA-N	413.952	3.459	50	40	HGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CNC3CCCCC3)o2)c([N+](=O)[O-])c1	5558553	RAIMXUDLGPZSJU-WSDLNYQXSA-N	400.435	3.236	50	40	HGGB	
Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N/N=C/c3ccccc3)s2)cc1	5684172	DKQYXBKSHXQCGT-UDWIEESQSA-N	414.512	3.325	50	40	HGGB	
Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)c1ccncc1	8299866	FIKIBKDRHPSVJP-UHFFFAOYSA-N	414.465	3.454	50	40	HGGB	
CC(C)CCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	8560457	IGPLOWQJDGBYLM-VXPUYCOJSA-N	404.445	3.413	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc3c(c2)OCO3)cc1OC	96310782	OGXJAHSTISTXNA-VGOFMYFVSA-N	418.409	3.368	50	40	HGGB	
O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)c1cccc(Cl)c1	100118476	FNRNOJSUKAOYSU-GFCCVEGCSA-N	412.660	3.213	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)C1C[C@@H]2CC[C@@H](C1)C21SCCS1	102917276	RKTXXEYCBSZDTG-IRXDYDNUSA-N	420.600	3.442	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21	408534209	VHZISCUJCVSBDS-DHRITJCHSA-N	406.486	3.383	50	40	HGGB	
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409021227	ZHDQSQBFIWXLLB-DJKKODMXSA-N	422.235	3.415	50	40	HGGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c1	409150592	CVEKDAUHVLFMPT-BRJLIKDPSA-N	406.486	3.176	50	40	HGGB	
N#CC1=C(N)N(c2ccc(Cl)cn2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	9450366	TXCAYVIHDJJRIC-QFIPXVFZSA-N	417.856	3.146	50	40	HGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)Nc1ccccc1C	13893463	NBTABOYRHBAYNF-LGJNPRDNSA-N	420.391	3.473	50	40	HGGB	
COc1cccc(/C=N\NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1	31783230	VXKYETWJFOTVDU-YNDNYMCLSA-N	424.526	3.303	50	40	HGGB	
CC1(CC(=O)N/N=C/c2cccc(I)c2)SCCS1	38534949	JYIDOTLOCLEMJC-OQLLNIDSSA-N	406.314	3.328	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1	40080026	DMGKKTZTCWNNTH-HNNXBMFYSA-N	408.289	3.148	50	40	HGGB	
COc1cc(/C=N/NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(Br)c1O	408833276	SSYGAYZFKJEBIB-NHDAZHRASA-N	420.219	3.235	50	40	HGGB	
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NNC(=O)c1ccccc1F	2726395	PWZZXKUGIOIQJO-UHFFFAOYSA-N	400.841	3.416	50	40	HGGB	
COc1ccc2c(CC(=O)NNC(=O)COc3ccc(Cl)c(C)c3)coc2c1	3613879	SNZXYGZKILJHQO-UHFFFAOYSA-N	402.834	3.172	50	40	HGGB	
C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1	4947122	NUSTYJFIMBMJKE-SRZZPIQSSA-N	413.330	3.369	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccc(Cl)cc1	5791491	HYKUGYWWIZDNSY-INIZCTEOSA-N	402.834	3.084	50	40	HGGB	
C=C1c2ccccc2C(=O)N1CCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	12484192	KTXQCBLLJYBCLD-UHFFFAOYSA-N	407.514	3.257	50	40	HGGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O	409043489	RBSRQMBGGPLJHP-VXLYETTFSA-N	420.219	3.392	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1	954818	NOSBYCGBYFCQRW-HJQVIKLGSA-N	410.499	3.057	50	40	HGGB	
CC(C)[C@H](Oc1ccccc1Br)C(=O)NNC(=O)c1ccccc1F	44279267	FSHJSYDNAQJOGI-INIZCTEOSA-N	409.255	3.453	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	100859885	GZLDHLQJQPOCIY-YBNXAWPWSA-N	419.157	3.487	50	40	HGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(F)c1	408964801	FAWGAONEUPEAIW-QPJQQBGISA-N	410.188	3.231	50	40	HGGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408969689	SAOCONVWCFHHLU-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
N#Cc1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	6228796	NHMRVGJDFOUMEA-CVKSISIWSA-N	407.433	3.080	50	40	HGGB	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNC(=O)c1ccc2c(c1)OCO2	13009471	XEBGXUCHURGLAL-UHFFFAOYSA-N	415.858	3.196	50	40	HGGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c2ccccc21	13567607	VKDKJKYHMVNFFY-RUZDIDTESA-N	423.476	3.073	50	40	HGGB	
CSc1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	32576966	DZBKJYTXSRTVAA-UCQKPKSFSA-N	416.978	3.330	50	40	HGGB	
CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2cccnc2)cc1Br	408723523	WKVIKFUDTSXUFI-CIAFOILYSA-N	405.296	3.463	50	40	HGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1	408782997	JEKXXGCATAYONS-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	9762123	BUWLXDAHOVXHCL-RGVLZGJSSA-N	410.342	3.292	50	40	HGGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	24050627	PTZULSSBMBTWMW-UHFFFAOYSA-N	413.547	3.138	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc([N+](=O)[O-])c1O	35655052	CZLLYIDXYMYQJW-AWQFTUOYSA-N	407.810	3.190	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(I)c1O	408969067	GRBDZLYZZAYLOV-NVMNQCDNSA-N	410.211	3.078	50	40	HGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OC	409316485	YDRDUWVGHNVGNX-JJFYIABZSA-N	418.833	3.141	50	40	HGGB	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)cc(N(CCCl)CCCl)c1	712732	GYXKQVKLKXTQPF-KRWDZBQOSA-N	414.333	3.470	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O	2413843	IWJRGPKGMGLTQG-DTQAZKPQSA-N	416.437	3.013	50	40	HGGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cc2ccc3ccccc3c2[nH]1	2448684	XRYHGOPVFBXNDX-QFIPXVFZSA-N	417.421	3.442	50	40	HGGB	
O=C(N/N=C/c1ccccc1Cl)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	5897810	MEYPOAUNHFIPTC-RHLNUJDMSA-N	400.822	3.003	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccccc1Cl	20493216	YPKVRDSAVQUVFR-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)cc1	28617633	SQMYQUKWAXRFKK-HMAPJEAMSA-N	401.532	3.063	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Br)c1OC	33643928	OLMJAIWBEJFQQO-VXLYETTFSA-N	422.235	3.067	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br	58900865	GVISWLAXWPTCGX-ZVBGSRNCSA-N	410.243	3.168	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)csc2C1	225591846	PTWCJPFXFLLWTL-COHNVNCPSA-N	416.543	3.183	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OC)cc1C	408608359	WCWPYWMGHXERKI-GOSISDBHSA-N	411.531	3.257	50	40	HGGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCC	409369890	HDDPQVOVQDLCSZ-XNTDXEJSSA-N	403.276	3.389	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c(OC)c1	2247507	YYEALYQFOFSZQQ-HXUWFJFHSA-N	419.437	3.033	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1	3102717	BKHBJBJFAXCZKV-NFCNUSAFSA-N	422.412	3.237	50	40	HGGB	
Cc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)o2)cc1	12746826	BULIWLNKBQXHDC-UHFFFAOYSA-N	408.410	3.013	50	40	HGGB	
COc1cccc(NC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1	14923613	GAAXHBVOICPTPL-SRZZPIQSSA-N	404.810	3.391	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2C)cc1	408756579	WIXAECAHLHSAJG-ISXGRJCASA-N	401.532	3.147	50	40	HGGB	
O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(Cl)c1	408963897	PYALYBPZQNOQQL-CAOOACKPSA-N	400.603	3.414	50	40	HGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)c(OCC)c1)c1ccccc1	408982517	YFLFMVMFTXDSJI-MMTNMYCKSA-N	413.474	3.422	50	40	HGGB	
COc1cccc(-c2[nH]nc3c2[C@H](c2cc(OC)cc(OC)c2)C(C#N)=C(N)O3)c1	664390	PQFZAMSEVDPTGJ-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
O=C(CCCCl)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2	3178192	OAMVVZRCYUKGKO-UHFFFAOYSA-N	417.845	3.455	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1C	4132051	MUYAVZXZSJXMBG-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)C1CCC1	12535001	OBSJDSZQWDMGBK-UHFFFAOYSA-N	412.877	3.216	50	40	HGGB	
O=C(COc1ccccc1F)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl	14141540	COXSUJMLFQDWLT-UHFFFAOYSA-N	421.639	3.391	50	40	HGGB	
CNc1sc2c3c(c(=O)[nH]c2c1C#N)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O3	15083450	QQVOGTSLMLXFMM-GFCCVEGCSA-N	409.858	3.375	50	40	HGGB	
CC(C)c1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3)C(O)=NC2=S)cc1	34237647	JVACBCFZKCDBLH-ATVHPVEESA-N	408.483	3.217	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	59444674	QDTFDCKTAKZMST-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C)C3)[C@H]2C(=O)O	102207247	RGSUWFWNRXLWAW-POLXEEHOSA-N	416.543	3.327	50	40	HGGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C(C)C)S(=O)(=O)c1ccc(C)cc1	408785091	XMTZJNRMEQVMOI-UHFFFAOYSA-N	423.922	3.364	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(=O)OC)cc2)C(C#N)=C(N)O3)cc1	5163484	OBHFSHWKVULQOS-GOSISDBHSA-N	416.437	3.480	50	40	HGGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	33568243	PIITVKFCMMLJDB-QINSGFPZSA-N	423.450	3.148	50	40	HGGB	
Cn1ccnc1Sc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1[N+](=O)[O-]	96663176	VZFMKGDDHSCQMU-ZROIWOOFSA-N	409.427	3.296	50	40	HGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	409341486	DVMFMIBUKFBNEI-IFRROFPPSA-N	410.655	3.393	50	40	HGGB	
Cc1c(-c2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)o2)cccc1[N+](=O)[O-]	1823976	WCWFIORVHBZRAY-SSDVNMTOSA-N	410.361	3.391	50	40	HGGB	
COc1ccc(CCCC(=O)NCC(=O)N/N=C/c2c(F)cccc2Cl)cc1	4680639	FKUYDUVBSOEASZ-WYMPLXKRSA-N	405.857	3.077	50	40	HGGB	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	12817114	ISQFJTLBBZGJKT-ZDUSSCGKSA-N	424.526	3.275	50	40	HGGB	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)CC2=O)cc1	15621381	FSPJUMCFUDZAQE-CYBMUJFWSA-N	420.296	3.370	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC	20195198	GFHZNBQEUUKWDX-ZVHZXABRSA-N	412.486	3.337	50	40	HGGB	
CCn1c(SCC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1	30750474	UNWMIXFRGHAFEO-MTJSOVHGSA-N	424.486	3.424	50	40	HGGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc(OC)cc(OC)c1	34688706	MCOICRNBROYARG-BKUYFWCQSA-N	400.435	3.222	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444713	AEPNUFOZOWTHRX-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)c3ccccc3C)o2)cc1	408782859	KKRQHKKGACXFPT-LPYMAVHISA-N	411.483	3.139	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Br)c1OC	409136466	RIYDCLGSZSHKLU-INIZCTEOSA-N	418.291	3.196	50	40	HGGB	
Nc1nnc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)s1	1307886	IFRNEWLHSPXYAC-UFFVCSGVSA-N	401.879	3.046	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccccc1	23109412	SBIHNVVSSRZNBL-UHFFFAOYSA-N	416.264	3.278	50	40	HGGB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NNC(=O)CC(C)C)cc1	112126511	UOPSQPLVPPNSEV-PGMHBOJBSA-N	406.486	3.387	50	40	HGGB	
O=C(NNC(=S)NCCCc1ccccc1)C(O)(c1ccccc1)c1ccccc1	408587277	SUVWGCDWXUOHQD-UHFFFAOYSA-N	419.550	3.051	50	40	HGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1OC	8272711	ZCEOFZYDIWGQKQ-UHFFFAOYSA-N	414.458	3.458	50	40	HGGB	
CCc1ccccc1N1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=C(\C#N)C(=O)NC	11690286	WQVYOGXQUGAMIF-SXKRPYPPSA-N	421.522	3.430	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1c[nH]c2ccccc12	19682238	FZYRSUCWRIPFCJ-AFUMVMLFSA-N	409.921	3.089	50	40	HGGB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	98004421	DHOKOYAOGBVGOT-SJAXDAAESA-N	416.481	3.041	50	40	HGGB	
Cn1cccc1P(=NC(=S)N1CCOCC1)(c1ccccc1)c1ccccc1	102134546	RLIHURLZYVUSMP-UHFFFAOYSA-N	409.495	3.120	50	40	HGGB	
CN1C(=O)/C(=N/NC(=O)CSCc2ccccc2Br)c2ccccc21	409348871	SXSRYAZTNUUUJP-HEHNFIMWSA-N	418.316	3.179	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(I)c1O	409358180	DBIRRQYXOVNOIN-GRSHGNNSSA-N	424.238	3.007	50	40	HGGB	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nc2ccccc2c1=O	799243	KNAGJWBXCGCLTQ-FSJBWODESA-N	422.510	3.224	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	1087115	OXWQMVKKMZLEOG-VIFPVBQESA-N	423.705	3.424	50	40	HGGB	
COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)O	2183968	NNEISHOSUXHQKQ-MKMNVTDBSA-N	402.410	3.167	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1	8780773	ZGNCUCZETBSGMX-HYARGMPZSA-N	423.429	3.011	50	40	HGGB	
O=C(CCCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	9062421	ZDYURRKSZBMQJY-UHFFFAOYSA-N	415.793	3.465	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1	12734519	MEHKFNVEUPOIBF-QGZVFWFLSA-N	414.465	3.183	50	40	HGGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC(N)=O)c1	409248994	IUSRLWFJGSCFPI-NVNXTCNLSA-N	414.259	3.438	50	40	HGGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1	5163507	DNQLKZBTGNXWAO-KGENOOAVSA-N	405.907	3.279	50	40	HGGB	
COc1ccc(S(=O)(=O)N(NC(=O)NNc2ccccc2)c2ccccc2)cc1	5527044	MFTIAYTULFSUHE-UHFFFAOYSA-N	412.471	3.132	50	40	HGGB	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O	6049929	LUZLJQIYWHAMKR-HGFPGGDJSA-N	421.881	3.446	50	40	HGGB	
C/C=C/c1ccc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(OC)c1	6361232	YIOAAZFRHSUKDA-ZZXKWVIFSA-N	419.437	3.492	50	40	HGGB	
N#CC(C(=O)COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)=C1Nc2ccccc2N1	7198597	CJHUJCVTECYZOQ-KRWDZBQOSA-N	419.437	3.243	50	40	HGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3cc(C4CC4)on3)cc2)n1	9502693	RWFRMHIYEBTTDL-UHFFFAOYSA-N	423.498	3.326	50	40	HGGB	
O=C(NNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)c1ccccc1O	12741830	FLXFDBIIGYXKKD-UHFFFAOYSA-N	424.766	3.325	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1cccc(C(=O)O)c1	28616186	RXXNTXGOPBMOLB-CFRMEGHHSA-N	405.410	3.131	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1O	59444699	JPFMMZATZQXMNO-ZVHZXABRSA-N	419.437	3.069	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1C	1440624	XJABEGBWVXKUPZ-DNTJNYDQSA-N	405.248	3.324	50	40	HGGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2212743	TXQPQHXSJQYZDF-PXAZEXFGSA-N	415.852	3.346	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1	6022570	MPNVFSJVYVVYOW-CIAFOILYSA-N	414.259	3.183	50	40	HGGB	
CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1	6440724	XDCJANDITLNJHK-LBPRGKRZSA-N	405.907	3.467	50	40	HGGB	
O=C(N/N=C/c1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1	6890146	WCTVKDSXYZHSRS-JJIBRWJFSA-N	421.522	3.391	50	40	HGGB	
COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-c2ccc(C)cc2)cc1	7727784	IBROULALKZHJRO-UHFFFAOYSA-N	402.497	3.355	50	40	HGGB	
Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NNC(=O)c1ccco1	16228583	OEXOFCRPEHUIJE-UHFFFAOYSA-N	400.232	3.487	50	40	HGGB	
CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(Cl)cc3Cl)cnc2s1	31783528	HSWFOXPINZPCAW-YXSASFKJSA-N	409.298	3.478	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(Cl)c(Cl)c1	32576934	HZNYMHXOIATXMP-QRVIBDJDSA-N	405.329	3.261	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1	12364801	BXRLKDMPQFVITF-AEOXGOBCSA-N	408.414	3.413	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1	13151888	BUHIIVNDQZOLBH-OEAKJJBVSA-N	418.409	3.376	50	40	HGGB	
O=C(NNC(=S)NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1	34966843	DEAVQWAKOVCRIE-UHFFFAOYSA-N	412.696	3.052	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(C)cc1C	11690302	OSLRNNZFCKATAJ-KNOQIOAQSA-N	421.522	3.484	50	40	HGGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccccc1Br	14018005	ZBYTZCKFYSKGRO-UHFFFAOYSA-N	423.064	3.298	50	40	HGGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2ccc(OC)cc2OC)cc1	14921886	JVSRCXWMHSDULS-OEAKJJBVSA-N	415.446	3.343	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@@H](c1ccccc1)C(C#N)=C(N)O2	1476205	XQVRUBPAGNIUMF-NRFANRHFSA-N	413.433	3.152	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2438018	YXDXTRULNNQKFJ-FQEVSTJZSA-N	414.421	3.331	50	40	HGGB	biogenic
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	5498211	ZTGLWQTXSKRXNB-WQGFDPGOSA-N	413.543	3.362	50	40	HGGB	
CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926818	CDEIMGJAGDHPRZ-DEOSSOPVSA-N	413.433	3.312	50	40	HGGB	
CCCc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c2c(c1OC)OCO2	15085391	SEZMBPNCJWBLGS-UFFVCSGVSA-N	415.402	3.057	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	20394684	DGIJRUBUKCMFBX-QRVBRYPASA-N	405.479	3.086	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	223154800	RNLPOLBDGJXZQN-WNFQYIGGSA-N	414.727	3.356	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Br)cc1	408605692	MUYKLZZWEJVJMH-ZDUSSCGKSA-N	405.277	3.007	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc1	408754605	KXNIVAZPKRGLBE-YRXLECQKSA-N	401.532	3.147	50	40	HGGB	
O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc2c(c1)OCCO2	408974144	VRRJYYFSUYBLLD-UFFVCSGVSA-N	408.241	3.244	50	40	HGGB	
N#CC(C(=O)COC(=O)/C=C/c1ccc(Br)o1)=C1Nc2ccccc2N1	12539147	MYAGTHYIALUCEB-SOFGYWHQSA-N	414.215	3.440	50	40	HGGB	
CC(C)[C@@H](NCC(=O)NNC(=O)c1ccccc1Br)c1ccccc1	57517067	NJASDUOIRLEOSQ-GOSISDBHSA-N	404.308	3.197	50	40	HGGB	
C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1cnccn1	100522696	LGCVXFJCFWHOEQ-WGOQTCKBSA-N	403.442	3.190	50	40	HGGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	409213387	UEIFBPLQFFARTH-OYKKKHCWSA-N	405.454	3.494	50	40	HGGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21	5014765	MLDREKVIASKNSS-QGOAFFKASA-N	416.481	3.258	50	40	HGGB	
CC(C)N1C(=O)/C(=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc21	5690198	ALKSEKBIXJOHLX-YXQDFNCHSA-N	421.497	3.399	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2[C@@H](C1)[C@H](c1cccc(F)c1)C(C#N)=C(N)C2(C#N)C#N	20026766	JDVGBLCPXZGUGP-IEBWSBKVSA-N	419.460	3.486	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3cccnc3)cc2)cc1OC	24642163	RVEKYUPRFVYRRR-UHFFFAOYSA-N	421.453	3.143	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2cccc(I)c2)cc1	408711917	QPBBLCGATQPPES-UNOMPAQXSA-N	408.239	3.383	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1	409302591	JMVMEKUHTQKHKP-GOSISDBHSA-N	423.494	3.414	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	840432	YWPZEGPQUHYRPW-JTQLQIEISA-N	410.257	3.180	50	40	HGGB	
CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=N/NC(=O)c1ccccc1	4763571	VOGZCBLXSDYVTJ-PCLIKHOPSA-N	411.465	3.095	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	7387385	KEEGDRDHNRJODP-UHFFFAOYSA-N	407.904	3.395	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3/C2=N\C(=O)CCl)cc1	12504580	KBSXDTXLCUQVMY-LSDHQDQOSA-N	419.934	3.249	50	40	HGGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(I)c1O	408958354	YASMUDAVGOJYMN-YBFXNURJSA-N	424.238	3.088	50	40	HGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1	409005201	DPKOSIHLWJHFCO-QFEZKATASA-N	402.454	3.359	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)ccc1O	409005273	GYYADSIYJCERQJ-BUVRLJJBSA-N	409.486	3.102	50	40	HGGB	
CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409134535	VYZSJMIZMBZFCV-AWEZNQCLSA-N	405.252	3.106	50	40	HGGB	
O=C(CSc1ncnc2sc3c(c12)CCCC3)NNC(=O)Cc1ccccc1	888506	GXLKDSKJCJDLQV-UHFFFAOYSA-N	412.540	3.052	50	40	HGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1n[nH]c2ccccc12	8294797	BVHXEELZBDCCDP-UHFFFAOYSA-N	407.257	3.490	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1	9704259	XGBSSXBHUHZLJU-UHFFFAOYSA-N	423.494	3.179	50	40	HGGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1ccco1	15906189	YAVPWWXBTHPCBV-FLMGYRAFSA-N	422.441	3.367	50	40	HGGB	
O=C(CCc1ccccc1)NNC(=O)COc1ccc(OCc2ccccc2)cc1	17239125	YRDWDUJCRBLCSU-UHFFFAOYSA-N	404.466	3.425	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(Cl)cc1Cl	19849345	PPOVFYGIQDDSHW-QRVIBDJDSA-N	405.329	3.261	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OCc1ccccc1	28217766	LNLKLQPVGGZTCP-SRZZPIQSSA-N	402.248	3.400	50	40	HGGB	
Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	100118464	CIBCLCSMHMHVAN-OAQYLSRUSA-N	415.449	3.354	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	108265658	AHWXLHBZWWSOBX-HMAPJEAMSA-N	412.446	3.366	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc(OC)c1OC	850214	UKTFMPQSNSFGKD-KRWDZBQOSA-N	406.394	3.037	50	40	HGGB	biogenic,in-vitro
Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)/C=C/c1ccc(F)cc1	2396415	DVXWGGPLJHGRQK-FMIVXFBMSA-N	424.457	3.138	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(F)cc1	4679797	PBLUIIXRHNRRIB-XARWVIDASA-N	412.248	3.166	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(-n4nc(C)cc4C)cc3)ccc21	9377896	RBNHYXRFLYZGQZ-UHFFFAOYSA-N	416.485	3.242	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@]12C(=O)N1CCCc3cccc2c31	17093567	NSFNSJMIUUZMCG-QUGAMOGWSA-N	423.472	3.342	50	40	HGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](O)c3ccccc3)c2C)cc1	408589238	LCBQVGKJRFDGFH-BHSKHCGUSA-N	419.481	3.455	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409310733	BNOPTMDVVYFMAD-MRXNPFEDSA-N	423.494	3.414	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O	4544941	AKNVWNUHZKSLBL-QXUMQBBKSA-N	404.378	3.126	50	40	HGGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1	15659241	RDJBYIYBPOGNGZ-UHFFFAOYSA-N	417.512	3.141	50	40	HGGB	
Cc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(Cl)cc2)c(C)c(C#N)c1=O	409058795	LGOWYHKSGHEMPI-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	2057036	SKZUTBGIJHEPDK-RGVLZGJSSA-N	410.342	3.292	50	40	HGGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	3086453	QUZAQXWEGJAZRQ-DOZBRYHWSA-N	416.437	3.086	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C=C(C#N)C#N)cc2)cc1	3270784	BQEBTDISBMKCML-UHFFFAOYSA-N	408.483	3.400	50	40	HGGB	
Cc1ccc(C(C)C)c(OCC(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1	6501688	QABSQIPBKIDNQA-UHFFFAOYSA-N	419.934	3.486	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCCC3)c(F)c2)n1	6964271	LTZFXUBDIFINAZ-WSDLNYQXSA-N	401.511	3.465	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1	19597432	DPHPUHJLZQUHLI-KRWDZBQOSA-N	402.472	3.067	50	40	HGGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C(C)(C)C)c1O	27019940	QXLUCUBUAHYENJ-HTRKUNOGSA-N	418.559	3.197	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccncc3)c2)cc1C	28617638	ZUQORRSALUTKFR-QFEZKATASA-N	402.454	3.480	50	40	HGGB	
C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C\c4ccc(F)cc4)c(=O)c23)C1	31783315	FUTGKWDRJVKFIE-MIHZTRLPSA-N	412.490	3.433	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	2237384	MJPMNBMPHKSEEZ-MRXNPFEDSA-N	406.269	3.328	50	40	HGGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(CC(N)=O)c3ccccc23)cc1	6044545	GYIZGQWADMUWTI-LGJNPRDNSA-N	413.481	3.298	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(C(=O)O)o1	6453849	ITKIJIFKCOPBBW-YDZHTSKRSA-N	408.410	3.258	50	40	HGGB	
CC1CCC2(CC1)NC(=O)N(CC(=O)NN(Cc1ccccc1)c1ccccc1)C2=O	36767691	GTRFIHKRKFRADF-UHFFFAOYSA-N	420.513	3.225	50	40	HGGB	
N#Cc1cc(Cc2ccc(NC(=O)CCl)c(C#N)c2)ccc1NC(=O)CCl	113481878	DBZWDHIDBJCIJA-UHFFFAOYSA-N	401.253	3.375	50	40	HGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	223152675	ROVRLMQERDOVQX-XKZIYDEJSA-N	422.397	3.342	50	40	HGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409189236	NLQVJVHKZSUWRA-ZROIWOOFSA-N	403.276	3.435	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)[C@@H]([C@H](C)Cl)S(=O)(=O)c2ccccc2)cc1	1762634	XVQJSVUGRINEGD-SUMWQHHRSA-N	409.891	3.272	50	40	HGGB	
C/C(=N/OCC(=O)N/N=C/c1cc([N+](=O)[O-])c2ccccc2c1O)c1cccs1	6613239	XWRXSLDKTLTSKC-QFXIOJDPSA-N	412.427	3.406	50	40	HGGB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	15987167	SMNMZAJDIVGLFP-SVZNOHIVSA-N	405.520	3.211	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(Cl)cc2)C(C)C)cc1	408765307	LCFYHFIVIDARHS-AGKWGAAGSA-N	407.923	3.102	50	40	HGGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl	3431148	RPKIXHYINYHXLD-UHFFFAOYSA-N	402.756	3.387	50	40	HGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	5482965	SFJAAJMDQVORNC-HZHRSRAPSA-N	411.458	3.171	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	19955419	SIQZUNQNIXHNLL-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	33700818	HOIWXJIVTYGREX-XKZIYDEJSA-N	407.382	3.334	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101052705	UWDIAGSZSXHNFQ-YVECIDJPSA-N	401.098	3.421	50	40	HGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)COc1ccc(Cl)c(C)c1	408952897	KWQUOMZDFQPPCY-RMKNXTFCSA-N	400.731	3.319	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccco1	1464845	KKSDFZWOYYEJEI-CIAFOILYSA-N	409.354	3.180	50	40	HGGB	
COC(=O)C(=C[C@@H](Br)[C@H](Br)c1ccccc1)C(=O)OC	1716640	IYKXVSGKMJGACF-VXGBXAGGSA-N	406.070	3.159	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC	4473383	IFUVPYAVLVQULV-KRWDZBQOSA-N	404.426	3.321	50	40	HGGB	biogenic,in-vitro
CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccccc2O)cc1)c1ccccc1	8843153	RGVXSHKEFSPFCO-HZHRSRAPSA-N	423.494	3.122	50	40	HGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OC	9296316	STGFYDWJQMHSFY-OAHLLOKOSA-N	405.252	3.106	50	40	HGGB	
Cn1nc(C2CC2)c2c(C(=O)NNC(=S)NCc3ccccc3)cc(C3CC3)nc21	17092383	FUDNRJFHGNEECD-UHFFFAOYSA-N	420.542	3.032	50	40	HGGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1	32109231	KVHHMMXDJZMLMT-KXFBGNFFSA-N	418.405	3.189	50	40	HGGB	
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNc1ccccc1[N+](=O)[O-]	32747742	FUTFVXUSOIQGFN-NAVXVDNBSA-N	414.506	3.395	50	40	HGGB	
C#CCOc1ccc(OC)cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1	33402092	UIIWXRHRNXCNJA-ITYLOYPMSA-N	414.461	3.093	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)NCc1ccco1	58882973	UQOIIRULXAIRMS-MSXFZWOLSA-N	411.845	3.392	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1c(OC)ccc2ccccc12	408609129	YXQNQWAFHAMOGU-GOSISDBHSA-N	406.467	3.406	50	40	HGGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	409028535	OQEOIYMUSCMDOA-HYARGMPZSA-N	401.532	3.289	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccn(Cc3cccc(Br)c3)n2)c1	1081898	GOCZSHPBORKHSM-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
COC(=O)[C@H]([C@H](Br)C(=O)c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4409352	ODIJROLPAWOZGU-OWCLPIDISA-N	406.232	3.440	50	40	HGGB	
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	5324774	OXFCVOQPOIDMFV-VXPUYCOJSA-N	402.429	3.309	50	40	HGGB	
C=CCc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1O	5725885	IBTFDGHTAPNNMB-BUVRLJJBSA-N	422.485	3.391	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	6615228	UICZTQZQDAHVHH-FYJGNVAPSA-N	410.455	3.410	50	40	HGGB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NN(c1ccccc1)c1ccccc1	13013225	QHBLZYKCWHCNKI-UHFFFAOYSA-N	416.393	3.060	50	40	HGGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C\c4ccc(O)cc4)c(=O)c23)cc1	31783576	RAACKOBWBKFQIX-VROXFSQNSA-N	418.478	3.289	50	40	HGGB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408680028	FWUIIRHHVGEACB-DZDPUUJWSA-N	404.182	3.215	50	40	HGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])c(C)c1	408911457	ZKSVCGHJWXMXCW-LPYMAVHISA-N	415.446	3.402	50	40	HGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COCC(F)(F)F)c1	996320	CAKRTJAZNYAGLH-INIZCTEOSA-N	412.364	3.029	50	40	HGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	4525860	PACITSYYJLAJGF-HYARGMPZSA-N	404.382	3.476	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)cc(Br)c1OC	4544295	VIVNBZCSYKUHIN-ZICWZVMQSA-N	407.264	3.384	50	40	HGGB	
COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(Oc3ccccc3)c2)C(C#N)=C(N)O1	4952227	BQGAGJYCNCWSST-IBGZPJMESA-N	410.401	3.499	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1O	5942703	TWNDQWMDYINPKE-QGMBQPNBSA-N	408.208	3.144	50	40	HGGB	
C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)NCC1(c2ccccc2)CC1	10496792	PMQJQXXGNUGHKY-AWEZNQCLSA-N	409.515	3.159	50	40	HGGB	
CCCCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19816395	HRWOJRUJRPECML-SIKLNZKXSA-N	417.513	3.229	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2C(C#N)=C(N3CCCC3)NN2[C@@H]1c1ccc(Cl)cc1	104629498	VIRXAMFBASRZCW-GOSISDBHSA-N	411.893	3.281	50	40	HGGB	
COc1cccc(/C=C(\C#N)C(N)=S)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408545049	YCUCUOODJFJPJJ-YRNVUSSQSA-N	400.372	3.497	50	40	HGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	408607606	DTFIWJKYJGZHSX-JFLMPSFJSA-N	419.456	3.480	50	40	HGGB	
C[C@@H](CCC(=O)NN)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	2032847473	YZPBDMRZRBJWSE-IJJVPTHTSA-N	406.611	3.383	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1cccs1	5725251	VFMUTFRAZSSIRM-XSFVSMFZSA-N	401.513	3.208	50	40	HGGB	
O=C(COc1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Cl	5772086	QBYJMRGRVGJONY-UHFFFAOYSA-N	403.649	3.252	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)c2cc(C)c(CC)s2)c([N+](=O)[O-])cc1OC	12676256	VVXQGTWRYSIVBJ-UHFFFAOYSA-N	407.448	3.009	50	40	HGGB	
CC(C)(C)OC(=O)NNC(=O)c1cc(Br)c(Br)s1	17398288	DRHIYKRTLDUKSQ-UHFFFAOYSA-N	400.092	3.443	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408609016	IZGMBBVYBYGBSG-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
CCCNC(=O)NN(C(=O)Nc1ccc(C)cc1)c1nc(C(=O)OCC)cs1	3768071	HSAZXZOEZARVRP-UHFFFAOYSA-N	405.480	3.291	50	40	HGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccccc1-n1cccn1	40140366	UWHJMKHJGZGIRP-UHFFFAOYSA-N	412.449	3.379	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(I)cc2)c(OC)c1	408711615	BOOTXAJINZNGPH-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1	408731221	LHKFFBJKYSEKHZ-VCHYOVAHSA-N	424.324	3.122	50	40	HGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1O	695581	SUGSFOMDCDUYPN-YDZHTSKRSA-N	422.514	3.024	50	40	HGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1	3357385	OCIJHAWUTFPXTN-MDWZMJQESA-N	416.336	3.106	50	40	HGGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3cc(C)n[nH]3)cc2)cc1	33344344	IPPRDVUGDMLYFA-RQXPBMLRSA-N	404.426	3.109	50	40	HGGB	
O=C(NNC(=O)c1ccccc1-n1cccn1)c1ccc(COc2ccccc2)o1	40144663	XMOIIYWPIUGJKT-UHFFFAOYSA-N	402.410	3.119	50	40	HGGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1O	409020345	OGALHFLEUZUXSP-LPYMAVHISA-N	414.414	3.063	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1cccc(Cl)c1	2376643	KSPAPENHXLGGSU-KEBDBYFISA-N	401.879	3.084	50	40	HGGB	
CC[C@@H](C)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1	2791854	PFDZQDBFGUWIMD-LLVKDONJSA-N	410.337	3.275	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	4499503	AUYYUEYOFQZJNB-UFFVCSGVSA-N	408.241	3.259	50	40	HGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc3ccccc3cc2OC)cc1	8209057	UTNYXRAEWRTTOV-OAHLLOKOSA-N	408.454	3.476	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc(Cn3nc(C(F)(F)F)cc3C)o2)ccc1O	55008634	MQHXPHPENKZBPW-AQHIEDMUSA-N	422.363	3.330	50	40	HGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	58912444	PWAOQXGMISMUMZ-CIAFOILYSA-N	419.323	3.175	50	40	HGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1	868699	FWIXVIHYEWUOSU-SRZZPIQSSA-N	413.821	3.271	50	40	HGGB	
Cc1nn(-c2ccccc2)nc1C(=O)NNC(=S)Nc1cccc(Cl)c1C	1037873	MTIDRZPXGRDYEP-UHFFFAOYSA-N	400.895	3.169	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1	1390359	WOGNONUNKTWSHC-ODCIPOBUSA-N	409.393	3.429	50	40	HGGB	
CC(=O)Nc1ccc(N/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1	6279776	ULSLIYSZAFGTMY-BKUYFWCQSA-N	400.438	3.350	50	40	HGGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)c1	8951568	BSWKTRQQHWORLN-SFHVURJKSA-N	418.409	3.041	50	40	HGGB	
C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@@H](C)C(=O)NNC(=O)c4ccccc4)cc3c2C1	9454607	KIEKGWLQGTYQMI-GJZGRUSLSA-N	419.481	3.299	50	40	HGGB	
CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c1	54363644	WOMOJRRSHPTTBU-UHFFFAOYSA-N	412.895	3.462	50	40	HGGB	
O=C(N/N=C/c1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	59921698	JYGUPTVYFLQLAU-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	408590263	OLNGHGXPAOTIHL-LFVJCYFKSA-N	424.501	3.422	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1	7892730	PNVCYOAVOXRMKA-YDZHTSKRSA-N	406.398	3.341	50	40	HGGB	
C/C(=N\NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(C#N)cc1	9119326	GEUDPGPCBKTDQL-WPWMEQJKSA-N	421.460	3.470	50	40	HGGB	
O=C(N/N=C/c1c(Sc2ccccc2)nc2ccccn2c1=O)c1ccccc1O	9354748	DLMODYRGKAMQSH-OEAKJJBVSA-N	416.462	3.315	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(Cl)cccc2Cl)cc1	16309162	COSIYWGNHPZFMB-JMIUGGIZSA-N	414.314	3.073	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Cl)c1cccc2ccccc12	19955125	DQZRJZZUNQYMRY-LPYMAVHISA-N	415.902	3.410	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C[C@H]4CC=C[C@H]34)c2)cc1	33619179	SCTNEGOSXZHFPX-XDLJLMFPSA-N	411.483	3.178	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1	33861136	COHGDKWYXWLLPI-ODCIPOBUSA-N	424.240	3.179	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n1	40080024	ZPVVMKOCHKXIHE-OAHLLOKOSA-N	408.289	3.148	50	40	HGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1	408922434	ASSLSOJPYATMJU-HADWXUJASA-N	423.922	3.044	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccccc1C#N	409126150	GYSALBVLWFUVRK-NRFANRHFSA-N	413.437	3.396	50	40	HGGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)N/N=C/c3ccccc3OC)cc12	2319704	DKAYTZLEGBTAMA-FSJBWODESA-N	410.426	3.456	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)c1	9192136	ALQKRFZGQKRJGP-KRWDZBQOSA-N	420.425	3.026	50	40	HGGB	
COc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4cccc(O)c4)CC(=O)N32)cc1OC	12275192	LCURLRLVMSYLHJ-OPAMFIHVSA-N	424.478	3.053	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC	12362455	KQWCEYALDJGSKE-CIAFOILYSA-N	409.402	3.156	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc(O)c1O	14171980	IPUPEPVKHKYQBE-BUVRLJJBSA-N	422.437	3.328	50	40	HGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1C	409107397	ROVDFSWPSVDQAC-DNTJNYDQSA-N	421.251	3.242	50	40	HGGB	
CC(C)=NNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O	6262267	TXCNOSGUAIZMQM-UHFFFAOYSA-N	417.575	3.432	50	40	HGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)CC2(C)SCCS2)c1	408592428	YCTLMEPLIUFVCZ-LZYBPNLTSA-N	405.339	3.200	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc2c(c1)OCCO2	408712011	VOYJWHSWYCWJNN-YBFXNURJSA-N	422.222	3.216	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	408768519	GRMDXTYOPKHNHV-ZVHZXABRSA-N	419.437	3.182	50	40	HGGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(C)(=O)=O	408866773	GNWHIVPGOIYFCK-UHFFFAOYSA-N	423.579	3.478	50	40	HGGB	
O=c1c2c3c(sc2nc2n1C[C@H](CI)S2)CCCC3	841009	MRKFVDKWXNAXNV-ZETCQYMHSA-N	404.298	3.246	50	40	HGGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	4505148	VKNWRMNATOZRAG-HOTGVXAUSA-N	406.442	3.468	50	40	HGGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\C(Br)=C\c1ccccc1	4721337	JFWCXHUJXULPSR-OTYYWZJLSA-N	412.287	3.054	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	10475868	FXVLOAFFLUCZTH-KEBDBYFISA-N	405.248	3.269	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	100887924	GCRSFEABFCYYIJ-AQNXPRMDSA-N	419.506	3.476	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(I)o2)cc1	408817162	MVAZFIVTTFSFNS-WQLSENKSSA-N	408.195	3.116	50	40	HGGB	
COc1cc(C(=O)NNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc(OC)c1OC	707542	YMBPMDHJQWMTPR-IINYFYTJSA-N	417.289	3.065	50	40	HGGB	
N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2CCCC=C12	2300392	HXTPRPHSPNDIKK-JLTOFOAXSA-N	420.270	3.149	50	40	HGGB	
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4cccc(OC)c4)CC(=O)N32)cc1	12275934	PWVQQQOJIHFYOW-GCJKJVERSA-N	408.479	3.347	50	40	HGGB	
Cc1noc(C)c1COc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	24766635	SCJXVJAMDIPRFH-UHFFFAOYSA-N	404.426	3.427	50	40	HGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1OC	408906236	BDRUIVZFCYKKRD-NEIHUHTASA-N	403.866	3.156	50	40	HGGB	
COc1ccc2nc(O)c(/C=N/NC(=O)CN3Cc4cc(C)c(C)cc4C3)cc2c1	409197810	PKIOPTNCFDITKT-YSURURNPSA-N	404.470	3.032	50	40	HGGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=S)Nc1ccc(OC(F)F)cc1	9562553	YEOMTWBPFLGWHQ-UHFFFAOYSA-N	423.470	3.274	50	40	HGGB	
C[C@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	229937000	GZLDHLQJQPOCIY-TYKAWROJSA-N	419.157	3.487	50	40	HGGB	
COc1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)ccc1I	408747885	VFUNHIIQSBQPIB-YBFXNURJSA-N	423.254	3.130	50	40	HGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1)C(=O)O	408844896	JBIIDJDYCQUTIZ-LBUZSKGWSA-N	411.241	3.374	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	4102981	QOWGMCXQCWRTDH-DOTOQJQBSA-N	407.499	3.409	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	408968641	AKVRWVQCNDZUFU-CVKSISIWSA-N	418.497	3.178	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1	409009410	FKWLCFIVSQZQDM-VQCBNXJZSA-N	410.426	3.491	50	40	HGGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)cc1	409021019	WYNNNLMJJVRPLE-KUARTLJMSA-N	401.419	3.101	50	40	HGGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1	664417	CGEYVVNAJSOHGF-FQEVSTJZSA-N	413.481	3.440	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1I	1092665	KEXXAZPJFZWLSP-KEBDBYFISA-N	423.254	3.170	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(O)c(I)c1	1434004	BZPAZFCIZTWNDJ-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	6430882	PDAOULPFFZPVPJ-UHFFFAOYSA-N	401.894	3.219	50	40	HGGB	
Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)CBr)ccc1O2	8961488	WTZMLLLPMAWGRN-UHFFFAOYSA-N	411.277	3.471	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2O)c1C	408590224	OFBSWKYPTIVVGW-WSDLNYQXSA-N	408.414	3.480	50	40	HGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(Br)cc1	408795126	LCLBDQATWSYHFM-UKTHLTGXSA-N	401.216	3.458	50	40	HGGB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1	868355	VIDLUBVUYIZWEN-NBVRZTHBSA-N	404.297	3.432	50	40	HGGB	
O=C(O)[C@H](Br)[C@@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1	1739505	HUXSUVLDQQTVKW-HTQZYQBOSA-N	418.991	3.256	50	40	HGGB	
N#C/C(C(=O)N1CCCCC1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	12416260	POEKMFWWWMHDPY-VXPUYCOJSA-N	402.429	3.263	50	40	HGGB	
COC(=O)c1ccc(/C=N\NC(=O)c2cc(-c3ccc(OC(C)C)cc3)n[nH]2)cc1	30743061	WZACDRCCYXZHML-QRVIBDJDSA-N	406.442	3.414	50	40	HGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1)NCc1ccccc1	58883062	XQVHHAQDCUYLGK-YSMPRRRNSA-N	405.429	3.285	50	40	HGGB	
C[C@]1(CI)[C@@H]2CC[C@]1(CI)C(=O)C2	100746541	CYRISYJUPUQPCV-JEZHCXPESA-N	404.029	3.232	50	40	HGGB	
CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1	409004705	YDCAHBWQOFZYKU-UHFFFAOYSA-N	404.264	3.118	50	40	HGGB	
Cc1cc(C)c(C#N)c(SCc2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)n1	4457538	GSYRPWZYXMUKNX-KRWDZBQOSA-N	415.482	3.199	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	4615027	FQWBFBMISIIRFL-LFVJCYFKSA-N	419.437	3.380	50	40	HGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)Nc1ccccc1	16136795	JISBORLMURULBT-BRJLIKDPSA-N	406.364	3.165	50	40	HGGB	
Cc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1	23136074	MOGBSWCVKVNELB-UHFFFAOYSA-N	410.861	3.325	50	40	HGGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2cccc(Br)c2)c(C)c1C#N	408720994	CICODWUOBCIJNB-UFWORHAWSA-N	405.277	3.413	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1Br	409197081	VLMGNTQTHFTPIN-FVUPAENESA-N	402.248	3.224	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(Br)c1	409234871	NNFGTNDIABFGMR-FYJGNVAPSA-N	418.291	3.058	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OC(=O)c1ccco1	3150280	FEXBAJXGYAYFAK-ZMOGYAJESA-N	407.426	3.378	50	40	HGGB	
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12	4121253	LPLIJPZRVNNUFA-JTQLQIEISA-N	405.863	3.190	50	40	HGGB	
COc1c(/C=N/NC(=O)Cc2ccccc2)c(C[C@@H](C)Cl)c(OC)c2c1OCO2	15085462	LQCGQXJHMNEEBE-HJQVIKLGSA-N	418.877	3.295	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)OC	15225939	IMYUQQUSHOWJEZ-YBEGLDIGSA-N	410.426	3.191	50	40	HGGB	
Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)[nH]n1	18254663	VAVDNLBVNPSPQR-DJKKODMXSA-N	417.219	3.057	50	40	HGGB	
CCCCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	19816389	HRWOJRUJRPECML-DENIHFKCSA-N	417.513	3.229	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1O	408570044	RQQJVBVAJNAUBY-RGVLZGJSSA-N	404.513	3.409	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OCC)c2)cc1	408742492	ALWONVQCEMXKFX-WJDWOHSUSA-N	410.426	3.493	50	40	HGGB	
O=C(NNC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccccc1Cl	6719463	AJJJIIXAVZDGHJ-UHFFFAOYSA-N	409.858	3.482	50	40	HGGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1	13597957	LFPDHZZKKSAXOP-DTQAZKPQSA-N	413.455	3.072	50	40	HGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O	16693930	MZGMVDLVUOQFKU-BOPFTXTBSA-N	404.382	3.005	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2)c1C	408529331	JEAHWSVUXWSINI-ZVHZXABRSA-N	405.454	3.410	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1OC	409007561	XULNBBDLJNDDBI-BUVRLJJBSA-N	409.486	3.015	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)O)cc1	409045717	HGKXKOWKGKWEIQ-RIYZIHGNSA-N	414.801	3.136	50	40	HGGB	
CCOC(=O)c1ccc2nc(N[C@@]3(C(F)(F)F)C(=O)NC(C)=C3C#N)sc2c1	4690101	ORGQYIWXQCCQON-MRXNPFEDSA-N	410.377	3.113	50	40	HGGB	
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2c(C)cccn2c1=O	5576739	KACOQJRHGQUUOB-SFQUDFHCSA-N	402.454	3.455	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)cc1	12276334	UUXSNTLUKYRRJX-MOPGFXCFSA-N	408.479	3.366	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1cccc(Cl)c1Cl)C1CCCCC1	33760700	CJUCXYXPYPJVAX-GRSHGNNSSA-N	406.335	3.038	50	40	HGGB	
CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	40144727	RUQWBEDSYNJMEE-UHFFFAOYSA-N	420.556	3.274	50	40	HGGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	408591215	SAJCVMIHFQIDCN-LFVJCYFKSA-N	424.501	3.422	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	409002103	MDVLERHGFVBHAF-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
Cc1ccccc1/C=N/NC(=O)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	2177554	LUNWGWTXGULGLB-FBRGJASNSA-N	408.285	3.336	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	6180776	AAGIIOIKAZMHBX-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1cc2c(s1)CCCCC2	7404855	YYEUJQUJTOIPIY-UHFFFAOYSA-N	402.900	3.433	50	40	HGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2cccc(OC(C)C)c2)cc1	10471678	HQZNDTWLOBXUHR-UHFFFAOYSA-N	413.474	3.052	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccc(Br)cc1	58917427	QXQQWQRVCJXZFO-CIAFOILYSA-N	420.307	3.460	50	40	HGGB	
COc1cc(/C=N\NC(=O)COc2cccc3ccccc23)ccc1O[C@H](C)C(=O)O	409013780	VJRZLOGRCDDBHD-IZVPMIMASA-N	422.437	3.229	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@@H]1c1cccc(Br)c1	409322165	JBVMEEIUCMNKMK-CQSZACIVSA-N	420.332	3.143	50	40	HGGB	
CCc1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)cc1	704524	CZKWHSLURXOCTA-YBFXNURJSA-N	408.239	3.383	50	40	HGGB	
O=C(N/N=C/c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1384079	ZOUBWZKLUOLDRC-LPYMAVHISA-N	423.897	3.030	50	40	HGGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F	2298370	JDBADFQVKPKISI-AWEZNQCLSA-N	411.833	3.079	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O	3170413	JOOVWNBHEDKRDH-CVKSISIWSA-N	401.466	3.099	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)c2cc(Br)c(Br)s2)n1	12870146	QJEOGCJSCYPREV-UHFFFAOYSA-N	406.103	3.437	50	40	HGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408789725	RTHHMYQDWUXMHB-NTEUORMPSA-N	400.818	3.446	50	40	HGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1cccc([N+](=O)[O-])c1	1022138	JZHDNQMTQACRRC-SRZZPIQSSA-N	413.821	3.271	50	40	HGGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)cc1	2754025	UHXUVWVYRRXMAI-LPYMAVHISA-N	407.430	3.391	50	40	HGGB	
C/C(=N/NC(=O)c1cc2c(s1)C[C@H](C)CC2)c1cccc(NS(C)(=O)=O)c1	17083238	MCFFNICUPQNVKK-IDJNSLICSA-N	405.545	3.398	50	40	HGGB	
Cn1cccc1P(=Nc1ccc([N+](=O)[O-])cc1)(c1cccn1C)c1cccn1C	97983147	YVYZNMHGNOHCRM-UHFFFAOYSA-N	407.414	3.420	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1	102751417	DGIJRUBUKCMFBX-GUDVDZBRSA-N	405.479	3.086	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OC)c1O	105945785	KCMJWNHSVSSAHF-DJKKODMXSA-N	401.400	3.296	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc2c(c1)OCO2	13424141	IKXQAHRHRKQJOX-VCHYOVAHSA-N	424.453	3.063	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc(Cl)c1	20209583	JFQZEKVJTCKCAF-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12	26892906	PBPKDMBQLUWMIO-OXQOHEQNSA-N	414.914	3.055	50	40	HGGB	in-vitro
O=C(Cc1ccc(F)cc1)NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	32909625	FPYZEJILJVOHCG-UHFFFAOYSA-N	406.339	3.034	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)OC(C)C	408602408	NIAUPNFNSNCRAM-JJFYIABZSA-N	404.850	3.443	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc2cc([N+](=O)[O-])ccc2o1	408967714	WZOVCGUGGRGGFS-CNHKJKLMSA-N	404.722	3.372	50	40	HGGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1	409005026	YTCANYMVGKXJDU-IRLDBZIGSA-N	417.465	3.490	50	40	HGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	409091695	TWBNPSUNDUOGSR-QGMBQPNBSA-N	408.208	3.144	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3OC)=C2C#N)cc1	409310732	BNOPTMDVVYFMAD-INIZCTEOSA-N	423.494	3.414	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1OC	409363313	LDANDFGFGCOLQR-YDZHTSKRSA-N	408.410	3.355	50	40	HGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCCO2	409366815	YTXYMUCYOGGRCH-PCLIKHOPSA-N	400.434	3.316	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1	2349767	JWEXVJGBLPTYBS-HXUWFJFHSA-N	403.438	3.415	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1	6897906	QSHBXBWSDPDFFB-MFKUBSTISA-N	412.449	3.217	50	40	HGGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c2)cc1	10040089	BMJZZULXHKDLLD-UHFFFAOYSA-N	417.421	3.051	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccccc2C)cc1	20059998	YGWFGFURINXOLK-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(C)(=O)=O)c1	20208595	MFNCZIJGZNNLDZ-WSDLNYQXSA-N	401.532	3.145	50	40	HGGB	
Cc1cc(-n2c(C)cc(C=NNC(=O)CC#N)c2C)ccc1I	245380457	ZMFWRMLAEJAQLU-UHFFFAOYSA-N	420.254	3.371	50	40	HGGB	
COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1O[C@H](C)C(=O)O	409237591	AEHXFHBCSRLYMX-LZCVXGSNSA-N	406.438	3.393	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1OCC	409322146	KTTKXMLNIMRUFN-JJFYIABZSA-N	420.849	3.365	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2ccc(C)cc2)ccc1OCc1c(C)noc1C	3402196	STNSGAKHFURDBO-UHFFFAOYSA-N	409.442	3.262	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC	10038234	HNQXERWVMKABTR-AWQFTUOYSA-N	421.247	3.349	50	40	HGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1	408908242	QQECHOYWXINUGO-VYVDHXHBSA-N	418.291	3.257	50	40	HGGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NC1CCCC1	409195475	VDYRKBOEGILRIU-ZROIWOOFSA-N	421.291	3.357	50	40	HGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(N)=O)c1	409225552	PODOCTCWVVJXOP-RIYZIHGNSA-N	414.259	3.167	50	40	HGGB	
COc1ccc(CCNS(=O)(=O)c2ccc(CBr)cc2)cc1OC	2385486	QJXWHFXDPDYQIX-UHFFFAOYSA-N	414.321	3.120	50	40	HGGB	
COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc3c(cc21)OCO3	2502516	DKIYLBFCZITVMD-QGZVFWFLSA-N	401.216	3.405	50	40	HGGB	
COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NNC(=O)c2ccco2)c1	8160515	OMOOKRQBKXSNIU-UHFFFAOYSA-N	413.817	3.269	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c(C)c1	13945562	QITGZBXDHHTPGH-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(C)Nc3oc(C)nc32)ccc1OCCN1CCOCC1	20459316	NJGKAWSKRWIAMK-HXUWFJFHSA-N	410.474	3.058	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	108948070	OFXICALEYJCYES-HMAPJEAMSA-N	412.446	3.366	50	40	HGGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1C1CCCCC1)[C@@H](Br)[C@@H]3Br	226763724	FIGDEIISZPQCOA-KISRQWFGSA-N	405.130	3.097	50	40	HGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)cc1	868873	DHVUBAWDJAMMPV-XSFVSMFZSA-N	407.470	3.037	50	40	HGGB	
C[C@@H](CC(=O)NNC(=O)CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1	4681965	MHBPSIGQWGZGNH-OAHLLOKOSA-N	401.894	3.475	50	40	HGGB	
CC/C(=N\NC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCC3)c1cccs1	6263379	RGWWYGRVIZCEAH-GDKRHEGXSA-N	400.529	3.500	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(Br)c1	15938614	AHJNPPMMIAVVQN-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
C[C@H](C(=O)N/N=C\c1ccccc1O)n1c(-c2ccccc2)nc2ccccc2c1=O	31857537	ZWZCQSAYOCGVHK-MKCIMWKDSA-N	412.449	3.480	50	40	HGGB	
CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1Cl	40154881	UNPLORPWJHPIKT-LJQANCHMSA-N	417.893	3.156	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc([N+](=O)[O-])c1O	59104131	OPJFLFMZQGMRLB-SXGWCWSVSA-N	420.425	3.446	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	59515466	SGZQPUVRUWOXTK-WGOQTCKBSA-N	417.465	3.041	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C\c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1	61965885	WQZBJECPVQLPCI-NWTDOYTESA-N	418.469	3.075	50	40	HGGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1	672506	CZTLYQLPYBESPC-UHFFFAOYSA-N	417.465	3.396	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OCC(=O)OC	1095577	IMYUQQUSHOWJEZ-MHWRWJLKSA-N	410.426	3.191	50	40	HGGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	2274774	QTNVCPHGZRRULC-QGZVFWFLSA-N	402.834	3.084	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1O	2275407	FFLIAOVHHUOSJF-MFKUBSTISA-N	404.466	3.404	50	40	HGGB	
Cc1cc(I)ccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1O	2748680	YWKJQQUKRCXENO-NJDFMEINSA-N	423.254	3.256	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccccc3C)n2C)o1	2760902	NHTWKOCVEHXGAL-URMYYVDKSA-N	412.519	3.268	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/C=C\c2ccco2)nnc1-c1ccc(OC)cc1	13382305	AEKLHLOFLZXLEF-YRBPYOIRSA-N	411.487	3.474	50	40	HGGB	
O=C(CCCl)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	39772101	ZQVZTNYGRKZUER-UHFFFAOYSA-N	415.793	3.465	50	40	HGGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCC(=O)O	59248470	XKTQCNLOROKDPV-SSDVNMTOSA-N	402.834	3.304	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	102069873	UWDIAGSZSXHNFQ-LPWJVIDDSA-N	401.098	3.421	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(N)=O	409022279	LWXLVJUOWKQOMI-RMORIDSASA-N	415.833	3.113	50	40	HGGB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccnc1)c1ccccc1	3179488	QCRUYSYKHGTGGG-TVYAFPLLSA-N	411.465	3.054	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)COc2cccc(Br)c2)cc1OC	4481989	CURHMENZANSMNM-UDWIEESQSA-N	407.264	3.386	50	40	HGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(I)cc2)c1	4703525	BQVPYZSYTAPTNH-VXLYETTFSA-N	408.239	3.437	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(OC)c1OC	6804539	ZFLGZFWLUVDLLN-INIZCTEOSA-N	404.426	3.321	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c1	33574605	YFICVIFHCYMVNU-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@@H]1[C@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	217682269	GZLDHLQJQPOCIY-TXACCCEWSA-N	419.157	3.487	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408568480	JPVLTTMRNQOYPV-VXLYETTFSA-N	419.484	3.308	50	40	HGGB	
COc1cc(Br)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409142697	ATKQGIMPLUUCPI-KRWDZBQOSA-N	418.291	3.196	50	40	HGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Br)OCO2	3116131	SMTMLZJOPGFZKZ-FBCYGCLPSA-N	411.639	3.360	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3o2)c(OC)c1	4933545	GJLZUDZUGSRBET-KEBDBYFISA-N	401.444	3.096	50	40	HGGB	
Cc1cc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc(C)c1Cl	5539915	VZEQRHMFGNVUEI-IFRROFPPSA-N	405.794	3.123	50	40	HGGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2)c1	8166767	KGGOOBCZHKHVKC-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Br)[C@@H]3[C@H]1CC2	105295531	KJLBUTKDFBUFCK-WSFKTYETSA-N	420.314	3.335	50	40	HGGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccnc1	811437	OFBDMSDYSSBPIG-QGMBQPNBSA-N	413.069	3.379	50	40	HGGB	
O=C(O)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1	1096410	BRXHDYPORNVRAK-YDZHTSKRSA-N	413.861	3.041	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1	9019587	UNWMIXFRGHAFEO-CIAFOILYSA-N	424.486	3.424	50	40	HGGB	
COc1ccc(C(C)=O)cc1CC(=O)NNC(=O)CSc1ccc(Cl)cc1	12808110	ZTGSBHWZWGHQNA-UHFFFAOYSA-N	406.891	3.033	50	40	HGGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1csc(COc2ccc(F)cc2)n1	13011379	NKUKPHUHFJJBHV-UHFFFAOYSA-N	417.487	3.486	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408706518	AOFZUNMFVGGFHR-FZTAQKCPSA-N	421.295	3.019	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)cc1	408743714	UNNLKMZDYBDQSQ-ZVHZXABRSA-N	405.454	3.410	50	40	HGGB	
O=C(COc1ccccc1)N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3	3212414	QELWKCNJRUFBQK-SSDVNMTOSA-N	409.398	3.455	50	40	HGGB	
O=C(N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21)c1ccccc1O	46085149	OHBKYJSPTWVUKA-LVWGJNHUSA-N	415.449	3.342	50	40	HGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	58912446	ZWOQIOMVWKPYOY-WYMPLXKRSA-N	408.424	3.431	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(OC)c2)cc1	408818909	PKKLPUHWNILBDU-SXGWCWSVSA-N	411.845	3.483	50	40	HGGB	
C/C(=C(/C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCCCC1	2366064	ZXVOWMDVOLKJLI-KAMYIIQDSA-N	412.437	3.394	50	40	HGGB	
Cc1ccc(C)c(NC(=S)NNC(=O)CCn2nc(C)c(Br)c2C)c1	2795609	DJTSDPTXZQHZBL-UHFFFAOYSA-N	424.368	3.287	50	40	HGGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccccc1	3765168	SXAAUCNBPRCOBG-XQNSMLJCSA-N	407.495	3.341	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c(OC)c1OC	8353217	NTOMZZMPODIXTP-UHFFFAOYSA-N	402.491	3.080	50	40	HGGB	
CCOC(=O)c1c(N/C(C)=C(\C#N)C(N)=O)sc2c1CCN(Cc1ccccc1)C2	8825142	IAUKEDDDIRTSQL-SAPNQHFASA-N	424.526	3.178	50	40	HGGB	
C/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)N(c2ccccc2C)C(=O)N=C1O	9108695	AEMDOZXDPPJKLY-VBKFSLOCSA-N	412.833	3.280	50	40	HGGB	
CC(=O)N1C(=O)/C(=N\NC(=O)Nc2ccccc2)c2cc(C)c(Br)cc21	13477648	JNRSRQAGTRQHIA-PGMHBOJBSA-N	415.247	3.176	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	33777830	QRORATGYMDVGMV-VXLYETTFSA-N	421.251	3.196	50	40	HGGB	
O=C(CSc1ncn[nH]1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	73386104	JUZNXNFUMVWGMS-UHFFFAOYSA-N	418.482	3.460	50	40	HGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Br)cc1	408605682	MUYKLZZWEJVJMH-CYBMUJFWSA-N	405.277	3.007	50	40	HGGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1	408706773	DLOHBAJBSMIMNY-WSDLNYQXSA-N	402.882	3.457	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)ccc1OCc1ccccc1	408972006	NMVDBFHXTOBGFS-LFVJCYFKSA-N	409.486	3.127	50	40	HGGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	4703096	GVGTWLVEKZWDGF-YZSQISJMSA-N	401.466	3.075	50	40	HGGB	
COC(=O)Cc1n[nH]c2c1[C@@H](c1ccc(F)c(Oc3ccccc3)c1)C(C#N)=C(N)O2	6198728	PPXOXYPHPIXPKL-IBGZPJMESA-N	420.400	3.275	50	40	HGGB	
N#CC1=C(SCC(=O)NCc2ccco2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	6495517	DUYMUTRZPUCSQP-OAHLLOKOSA-N	401.875	3.321	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1O	6959376	XBQHHWXCOJOJAM-GIJQJNRQSA-N	410.211	3.078	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(F)cc1	20212564	IUYVAOQCWOLDPF-FYJGNVAPSA-N	411.886	3.094	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1O	59459741	WQSDMNXFPISBEU-GZIVZEMBSA-N	415.755	3.162	50	40	HGGB	
COc1cccc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c1O	408569894	QWIWNMIHBCABQN-JAIQZWGSSA-N	404.513	3.409	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c1C	408913936	VIKVTHCKTHQBFL-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	409172304	BYJFOOCEFSFXLW-WYMPLXKRSA-N	420.425	3.352	50	40	HGGB	
O=C(N/N=C/c1ccncc1)C1CCN(Cc2ccc(Br)cc2)CC1	5634129	BAFNNYGTZGAIJG-LPYMAVHISA-N	401.308	3.206	50	40	HGGB	
O=C(NNC(=O)c1cc(Br)c(Br)s1)c1cccc(O)c1	12901841	FMSXLYZZHHQPBN-UHFFFAOYSA-N	420.082	3.054	50	40	HGGB	
Cc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O	100097155	VPULOFUKUTYEPT-OAQYLSRUSA-N	415.449	3.354	50	40	HGGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(CC)CC)cc2)s1	408729810	DIGNKJBBGQKEQL-KGENOOAVSA-N	416.551	3.206	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2	2422925	PVLMKMZYGGZVOD-XMMPIXPASA-N	411.465	3.308	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1	3057528	IGYWYPFUTURZTK-UDWIEESQSA-N	402.248	3.103	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1[N+](=O)[O-]	4822322	CWMSNBRXSNPMCP-IBGZPJMESA-N	403.398	3.316	50	40	HGGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1	5002767	RJGVSRQVYBUGDM-RQZCQDPDSA-N	407.180	3.420	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2)c(C)c1	6606927	SEGFQGLXALEOTA-SRZZPIQSSA-N	407.923	3.036	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC	408725265	GPERUGGOHJVXLY-VXLYETTFSA-N	422.235	3.067	50	40	HGGB	
COc1ccc(O)c(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1	8444018	OQRBPNVSWFDUOE-KAVVDJPUSA-N	421.478	3.384	50	40	HGGB	
O=C(NNC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1ccccn1	40142851	LAXBDAOQNNDFDL-UHFFFAOYSA-N	416.231	3.091	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1	58882895	BUNYFNMMHWFPQJ-QQXSKIMKSA-N	401.466	3.454	50	40	HGGB	
N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NC[C@@H]1CCCO1	96311090	YUZIVZGGQMMRLP-OIQJVACTSA-N	401.264	3.041	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	408799229	YKZINNOPNCXWQM-OOIVEFLKSA-N	419.481	3.215	50	40	HGGB	
CCCc1n[nH]c2c1[C@@H](c1cccc(I)c1)C(C#N)=C(N)O2	1438041	KAUMOIJATPMCIM-ZDUSSCGKSA-N	406.227	3.185	50	40	HGGB	
COc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccco3)cccc2[N+](=O)[O-])cc1	409225956	RQWSHWQUNCEZSK-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NC(N)=O	409232769	PQIYWYHJFYHLID-WJDWOHSUSA-N	416.393	3.429	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1O	4671712	XWEILHBGHQNPSO-AWQFTUOYSA-N	407.264	3.309	50	40	HGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccccc2Br)cc1	101547146	GYQHSQRRAHTZFE-LPYMAVHISA-N	418.291	3.270	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1ccccc1	104815355	QIOHLFKWBNQACF-AYRHNUGRSA-N	417.472	3.147	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408612576	VUAXUDRKRYYIQO-XMTZNVEYSA-N	417.893	3.292	50	40	HGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1C	408968921	CVCOIJWAXDQQOG-WGOQTCKBSA-N	402.498	3.212	50	40	HGGB	
CCOc1ccccc1/C=N/NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1	409007236	VVSIWANTXDTMMP-LFVJCYFKSA-N	409.486	3.096	50	40	HGGB	
CCOc1ccc(CCNC(=S)NNC(=O)c2ccc(Cl)cc2)cc1OCC	5274155	CPEVAZOVAMTDQJ-UHFFFAOYSA-N	421.950	3.489	50	40	HGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccc(O)c1	9305457	UZPWJSKZDOGDMF-FOKLQQMPSA-N	424.284	3.125	50	40	HGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	20209660	ZSALSGUSYZJYRV-CIAFOILYSA-N	423.922	3.044	50	40	HGGB	
CCCc1nn2c(=O)cc(COc3ccc(C=C(C#N)C#N)cc3OC)nc2s1	20332159	JMQBYLASFWVLEE-UHFFFAOYSA-N	407.455	3.122	50	40	HGGB	
Cc1nc(C)c2c(C)c(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)sc2n1	40057542	CJWRINJRWOQOMI-UHFFFAOYSA-N	407.455	3.346	50	40	HGGB	
Cn1ccnc1COc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	40119789	OFDDYUNNLPGNCK-UHFFFAOYSA-N	424.526	3.404	50	40	HGGB	
CCCCCCCNC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1	98045232	IJSXIMVCUPCYNS-UHFFFAOYSA-N	412.328	3.077	50	40	HGGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(C)cc2)S(C)(=O)=O)cc1	408906265	DYDKXMYEGGSXKD-JMMZKRSASA-N	417.531	3.089	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1	409206584	PRPMVGLQXOAAMH-PRWBYUBPSA-N	407.470	3.083	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1OC	409336017	ZYYDOYBIZGYJJS-JMIUGGIZSA-N	423.263	3.335	50	40	HGGB	
O=C(N/N=C/c1ccco1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	5022311	SIUQDBWPAIQLNN-JWZHWXDPSA-N	404.382	3.109	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(C)cc2C)nc2ccccn2c1=O	5529414	LQYVGMWZEPUQIV-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	18255957	VVKKUJVHRSLCGV-FNFFVJSTSA-N	401.098	3.421	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)c(C)c1	216038105	CLGXABLCJTWKSD-OCKHKDLRSA-N	406.236	3.373	50	40	HGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(F)c(Br)c1	2311512	ODOZUINRASSQBA-CYBMUJFWSA-N	415.646	3.452	50	40	HGGB	
COCCOC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	3227755	RCZMSNIYQLSFRT-RUDMXATFSA-N	405.042	3.014	50	40	HGGB	
N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21	12416258	KHJVHKCIIAUGFZ-VXPUYCOJSA-N	414.396	3.160	50	40	HGGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	15008791	MQKQCDYRICXGGH-UFFVCSGVSA-N	423.337	3.015	50	40	HGGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/C(Cl)=C/c3ccccc3)CC2)cc1	19861304	IPYVOUUNDRCSCD-CPGHBSSUSA-N	410.949	3.495	50	40	HGGB	
C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	100471471	YZPBDMRZRBJWSE-GLIBUGFGSA-N	406.611	3.383	50	40	HGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)n2c1	408980892	UBNODUXJUHNSPE-IFRROFPPSA-N	415.247	3.206	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3cc#cc4ccccc34)c(C)c(C#N)c2=O)cc1	409061760	HQIHVDSVRKNMAE-DICXZTSXSA-N	419.444	3.239	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)cc2)cc1	2020931	OYOSWLMGCWXHEN-ZVHZXABRSA-N	419.437	3.426	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNS(=O)(=O)c1cccc(Cl)c1	12856779	SUEDKJOTBCHVOG-ZDUSSCGKSA-N	404.875	3.270	50	40	HGGB	
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N/N=C/c1cccs1	408859254	RMPBRZDWDUNPQK-FYJGNVAPSA-N	417.487	3.233	50	40	HGGB	
COCCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C(=O)OC)o2)c2ccccc12	409393275	POBKRDVLPYHYMJ-RVDMUPIBSA-N	408.410	3.166	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1F)C(C#N)=C(N)O2	2256818	BBTQRFIBHGBXMT-FQEVSTJZSA-N	410.493	3.246	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	100364808	CSTXIHLGAMHVPZ-MFKUBSTISA-N	413.518	3.041	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C)c1O	105487939	YMEHHXMVKLUTEU-QGMBQPNBSA-N	410.211	3.083	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1OCc1ccccc1	408611621	RDSHIRSCEXXFIG-WYMPLXKRSA-N	417.893	3.150	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(OC)c1OC(C)=O	9373262	PFOFKTCPUUSSHP-KEBDBYFISA-N	421.247	3.156	50	40	HGGB	
COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1O	11582431	WTMQOSMACKIZTC-LBPRGKRZSA-N	407.264	3.389	50	40	HGGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C\c1c2ccccc2cc2ccccc12	33360435	HMFZUKSFBFLIJR-QFEZKATASA-N	422.448	3.498	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	101052702	UWDIAGSZSXHNFQ-FNFFVJSTSA-N	401.098	3.421	50	40	HGGB	
CCOc1ccc([C@@H]2C(C(=O)N(CC)CC)=C(C)N=C3SC(C#N)=C(N)N32)cc1	408604426	IWOVVGXNHCBWEA-GOSISDBHSA-N	411.531	3.339	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1I	408904668	MVTNBCWKVVTBGR-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc([N+](=O)[O-])c1O	37020494	UJEHEXLYHOXYDD-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
CN1CCN(C(=S)N=P(c2ccccc2)(c2ccccc2)c2cccn2C)CC1	102134538	IIZITLPAOIGDAN-UHFFFAOYSA-N	422.538	3.035	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-]	408832722	ZSRQYHKILBFNJD-WSDLNYQXSA-N	413.430	3.388	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2cccc(O)c2)c1OCc1ccc(C(=O)O)cc1	409188042	WOHPWWYWGSFZHH-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1cccc(O)c1	910223	IJPRZRJNGFZPFV-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C	2219783	OQDZWPRVXURXEJ-WSDLNYQXSA-N	407.430	3.229	50	40	HGGB	
O=C(NNC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(F)cc1F	3435801	GRQZZCVHUMZZHY-UHFFFAOYSA-N	412.392	3.497	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)c1	5248533	LICCGFAVAVAWFB-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
COc1ccccc1OCC(=O)NNC(=O)c1cccnc1Sc1ccccc1	12770786	JZVBBQYGBDIUQU-UHFFFAOYSA-N	409.467	3.081	50	40	HGGB	
Cc1ccc([C@@](O)(CC(=O)NNC(=O)c2oc3ccccc3c2C)C(F)(F)F)o1	14241834	LFJPFAYFHBJRIE-SFHVURJKSA-N	410.348	3.244	50	40	HGGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)cc1	26966357	VAKVSAKOVRFSHL-XDJHFCHBSA-N	414.465	3.314	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)c(C)c1	58914283	HIDJFQXHKUKSKT-DICXZTSXSA-N	417.513	3.263	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccc2c1CCCC2	100522903	JIOJXXQJHMHZNF-CVKSISIWSA-N	422.485	3.033	50	40	HGGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(N)=O	408877611	WERMFXAWFQHLPK-NTUHNPAUSA-N	402.204	3.329	50	40	HGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2)cc1OC	408887422	OGCOMNZGYIGXCH-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O	2447581	LUZLJQIYWHAMKR-QPCOYWRUSA-N	421.881	3.446	50	40	HGGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1Cl	28772801	IAUHYCJAQSHZNV-HNNXBMFYSA-N	407.857	3.307	50	40	HGGB	
COc1cc(C(=O)N/N=C\c2cc(C)c(O)c(C)c2)ccc1I	108021623	CXVNFBZFEBWEAW-OCKHKDLRSA-N	424.238	3.386	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1cccc(I)c1	408775202	OSVRQEIEUXAPGT-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	408924103	NXCAMEMMXRLCBO-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2OC)c2ccccc2OC)cc1	1246883	YLZUGYITCIQMKM-PCLIKHOPSA-N	420.465	3.099	50	40	HGGB	
N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	1422442	YJLCASWAUKSOCO-HSZRJFAPSA-N	418.403	3.376	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	2342410	BHCYOTWGOQIIKQ-FQEVSTJZSA-N	414.421	3.331	50	40	HGGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1O	20086259	UTOARAVOOAUKMP-INIZCTEOSA-N	424.254	3.225	50	40	HGGB	
Cc1occc1C(=O)NN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21	33014846	YHRFUHHVDLCLQT-DEDYPNTBSA-N	401.422	3.046	50	40	HGGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccccc2Cl)cc1OC	72238776	SZZXOXZEADAVJC-UHFFFAOYSA-N	424.848	3.243	50	40	HGGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C1CCCCC1	100550284	FIGDEIISZPQCOA-LVTVNPDKSA-N	405.130	3.097	50	40	HGGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc1	1265947	WBKWAYZGBGAUBX-KXBFYZLASA-N	409.511	3.276	50	40	HGGB	
CCCCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](Br)CC)cc1	8733248	DMSQWDNTCCFLOA-OAHLLOKOSA-N	413.312	3.262	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2cccnc2)nn1-c1ccccn1	9373363	DFTXBWHJTAODLY-ZVHZXABRSA-N	413.397	3.001	50	40	HGGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(COCC(F)(F)F)cc1	22467507	QPICTEKRYUAGRX-UHFFFAOYSA-N	405.376	3.251	50	40	HGGB	
N#C/C(=C/c1ccc(O)c(I)c1)C(=O)NCc1ccccc1	33337493	KWGVKDCIVANQIN-ZSOIEALJSA-N	404.207	3.220	50	40	HGGB	
COc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccccc2)cc1	33772599	HJXFDYFHHKYPJQ-IWIPYMOSSA-N	403.438	3.477	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCc1ccccc1	408607492	DIQNRLREKXEFJZ-FSJBWODESA-N	415.877	3.046	50	40	HGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1	408839507	UAJFDBLIDNEMGW-ZMOGYAJESA-N	417.421	3.440	50	40	HGGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(Cl)cc3)c(C)c(C#N)c2=O)cc1	409059563	QRUXDXBQVJPKGK-MXAYSNPKSA-N	419.872	3.392	50	40	HGGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12	2323287	DAICVITZDMZPNZ-QPNANDPSSA-N	402.520	3.331	50	40	HGGB	
O=C(N/N=C\c1cc(Cl)cc(Br)c1O)[C@@H]1COc2ccccc2O1	4936111	UJXWXHAIKQQBRX-FDFSMXBESA-N	411.639	3.098	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	8336648	PSZYHFSLPHRMNN-UFFVCSGVSA-N	418.906	3.010	50	40	HGGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Br)cc4)[C@H]3[C@H]1CC2	8411537	JQOWUEPPUWFFJG-PIKADFDJSA-N	420.314	3.335	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1C	104827377	GTKGZPJSOJALHL-RAXLEYEMSA-N	414.487	3.219	50	40	HGGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	408818054	OURFQZLJFODEJP-RIYZIHGNSA-N	415.243	3.286	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1O[C@@H](C)C(=O)O	409233339	FQMJBTIERRMVOE-KKBVUKDESA-N	421.247	3.074	50	40	HGGB	
Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1	2136083	GPLJFIJIYIFPIL-UHFFFAOYSA-N	413.543	3.315	50	40	HGGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	4179731	MZUKBDPVUYAISP-AWQFTUOYSA-N	411.245	3.497	50	40	HGGB	
CC/C(=N\NC(=O)CCCC(=O)N/N=C(\CC)c1ccccc1O)c1ccccc1O	5727586	XMUGHOHMFXVVOC-SIHVKLMXSA-N	424.501	3.429	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC	6790887	IKFFLXWECSQVRT-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
COc1cc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc(OC)c1OC	9056531	LQUPIDNZUATULU-FMCGGJTJSA-N	424.409	3.435	50	40	HGGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1CCN1CCN(C(=O)Nc2ccc(F)cc2)CC1	25326824	MBBNOGHNMYKTDD-UHFFFAOYSA-N	420.492	3.442	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	408922027	OGIYCZSAQZNCOF-OQKWZONESA-N	417.531	3.009	50	40	HGGB	
N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C#N)cc1F	408965401	GWQJLCYZTDWDCF-LSHDLFTRSA-N	401.195	3.126	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccco1	409058355	MULALNZBQIFANX-LPYMAVHISA-N	423.381	3.108	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccnc4)c(=O)c32)cc1	730219	LTEQETGBOGQZDX-OAQYLSRUSA-N	414.465	3.217	50	40	HGGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OC2CSC2)c1	832036	HADRFOCXXRNCSV-AWQFTUOYSA-N	417.512	3.473	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)CC1(C)SCCS1	6348128	PKVVFXGNAVLOTA-WOJGMQOQSA-N	413.362	3.498	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1Cl	28772804	IAUHYCJAQSHZNV-OAHLLOKOSA-N	407.857	3.307	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2cccc(Cl)c2)cc1	408760435	YPPHOZAVURJVFK-MEGCXXLRSA-N	421.950	3.492	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1O	408976245	ADRJOISWBYXEQO-UVPCLOGWSA-N	417.465	3.412	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)cc2)cc1	4525049	LGXBZNQMFGUKRN-QUYTYNJFSA-N	419.481	3.215	50	40	HGGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1	40128386	SIHRALDNFYNSEX-UHFFFAOYSA-N	400.841	3.285	50	40	HGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(N2CCOCC2)c(F)c1	409146406	SQNWCSHLXFBYBU-MXAYSNPKSA-N	409.383	3.374	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C	409185393	YGMYIKCDAKSFQN-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC(C)=O	806453	AEFKRZOLFKQFPK-SFHVURJKSA-N	412.442	3.080	50	40	HGGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1	4548168	LGSYKWROGATQSN-UHFFFAOYSA-N	404.854	3.310	50	40	HGGB	
O=C(COc1ccc(F)cc1Br)NNC(=O)c1ccc(Cl)cc1	6430702	VWVNZWQKDNJPPJ-UHFFFAOYSA-N	401.619	3.082	50	40	HGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1I	13963828	OREWKKNSVRAVOO-GIJQJNRQSA-N	414.630	3.474	50	40	HGGB	
N#CC(C#N)=C(c1ccc(N2CCOCC2)s1)c1ccc(N2CCOCC2)s1	16430760	IHEVPCYGQGELNH-UHFFFAOYSA-N	412.540	3.332	50	40	HGGB	
O=C(NN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21)c1cccs1	33014893	AMWJVOJTGOVAOD-QGOAFFKASA-N	403.463	3.206	50	40	HGGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1	408612916	XKJIPPUVASPGEQ-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	408907631	OGRMEHDDPBEIHB-GKXUUXLPSA-N	418.837	3.056	50	40	HGGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)cn1	1435114	UYJZBJCRUGTWJA-YDZHTSKRSA-N	404.382	3.281	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2C)c(OC)c1	1917770	ANBOWILYLVSMPF-LDADJPATSA-N	406.438	3.197	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H]2Oc3ccccc3O[C@@H]2c2ccccc2)ccc1O	6180948	IJMAMDFSRGLGQZ-HCQBAUJFSA-N	404.422	3.432	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OCC)cc1OCC	7869487	BMHYBYXGPYMRSW-HZHRSRAPSA-N	413.474	3.362	50	40	HGGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	59433874	PCKVLEDWOVCFTN-OEAKJJBVSA-N	403.394	3.266	50	40	HGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1[nH]nc(C2CC2)c1Br	65095176	FJJOJEBTCURCFZ-UHFFFAOYSA-N	421.339	3.417	50	40	HGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	408799225	YKZINNOPNCXWQM-JJEHFPDLSA-N	419.481	3.215	50	40	HGGB	
CCOc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O	408947407	CKZZUVSSOPACKX-SXGWCWSVSA-N	420.425	3.446	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	409211586	ONDCKMKOVVIBEQ-CFRMEGHHSA-N	421.453	3.330	50	40	HGGB	
CCOc1c(Br)cc(/C=N/NC(=O)CNC2CCCCC2)cc1OC	409384614	DNKZUOHBYWMDTI-SRZZPIQSSA-N	412.328	3.229	50	40	HGGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Br)o1	1449518	NBLQMUDFLMJGAX-FRKPEAEDSA-N	402.042	3.334	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)csc2C1	4652259	ZPENMLJTAMWCIR-CFVMTHIKSA-N	404.532	3.327	50	40	HGGB	
Cn1c(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)nc2ccccc21	6650132	OATNMYZCZKFYKO-UHFFFAOYSA-N	414.465	3.009	50	40	HGGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)COc1ccccc1F	6684986	YATYOMYVBNBNSM-MFKUBSTISA-N	421.476	3.449	50	40	HGGB	
N#CC1=C(N)N(c2ccc(Cl)cn2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	9450370	TXCAYVIHDJJRIC-JOCHJYFZSA-N	417.856	3.146	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H](C)Br)cc2)c1	9499290	UMWSXIKJARNLTG-LBPRGKRZSA-N	421.243	3.424	50	40	HGGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	10470066	GPUQLMKDQSMAHF-LJQANCHMSA-N	419.591	3.499	50	40	HGGB	
C/C(=N\NC(=O)c1cccc(Br)c1)c1cc2ccc(O)cc2oc1=O	13306887	PGMSWHXJIBGBJR-KEBDBYFISA-N	401.216	3.415	50	40	HGGB	
CC1(C)[C@]2(C(N)=O)CC[C@]1(C(Br)Br)[C@H]2Br	100012817	WRGBBEYNVBRDQZ-UAINPKIQSA-N	403.940	3.158	50	40	HGGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Br)cc4)[C@@H]3[C@H]1CC2	105298691	JQOWUEPPUWFFJG-OAOYMFHYSA-N	420.314	3.335	50	40	HGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O	105838083	OKPYXIAVHSNVLV-UDIPQKBFSA-N	403.438	3.109	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	408568378	JFOFPLJCPUROEO-VXLYETTFSA-N	419.484	3.308	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1F	408785282	VVJQXKGZBLFMIQ-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC#N)ccc1OCc1ccc(Br)cc1	1021096	ORDFMFYZNONZNP-SRZZPIQSSA-N	402.248	3.400	50	40	HGGB	
O=C(CCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12	2206582	LTEXAMNEPFCEAR-CIOBDNPFSA-N	414.469	3.420	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC	2292524	WHQVUQZVIMLTTA-HYARGMPZSA-N	408.414	3.096	50	40	HGGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccc(F)cc1	2656248	BDCSSNIEDVYKRG-HXUWFJFHSA-N	419.412	3.185	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c1	3112280	HCORRRLVGZNWMS-NJRDNMGOSA-N	417.465	3.325	50	40	HGGB	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3c(Cl)cccc3Cl)ccc12	9467744	MIMPVCMLAUPXJH-UHFFFAOYSA-N	421.236	3.248	50	40	HGGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	12735678	ABDFGJIPHYJXAZ-GFCCVEGCSA-N	403.435	3.008	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(F)cc1	20212776	XPBQUUVWUDMKPT-FYJGNVAPSA-N	411.886	3.094	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCOCC3)o2)cc1Cl	409002975	XQPLKFWHLRKMET-GXDHUFHOSA-N	400.818	3.152	50	40	HGGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)cc1	409361186	AEZHWOKGASOGDI-JJFYIABZSA-N	404.850	3.067	50	40	HGGB	
Cc1cc(NCC(=O)N/N=C/c2ccccc2F)ccc1I	1081772	XBEQSQCGEHIQAW-AWQFTUOYSA-N	411.218	3.301	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C	1838653	WCLDGILDFRXSIE-RWZYYMRUSA-N	422.466	3.076	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	15018719	CSPROJQNXWQHLB-FSJBWODESA-N	422.312	3.355	50	40	HGGB	
CCN1c2ccccc2C2=C([C@@H](c3ccccc3OC)C(C#N)=C(N)O2)S1(=O)=O	20558372	BGBFZQLYVHPKNM-SFHVURJKSA-N	409.467	3.041	50	40	HGGB	
CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)ccc21	40144717	TWXJKLGSGUVIRH-UHFFFAOYSA-N	411.527	3.391	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cc(Cl)ccc1OC	408606844	RHEYJAOQSTULLT-OAHLLOKOSA-N	404.879	3.297	50	40	HGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1	408724371	DIZIFVZLEQZTJR-UFFVCSGVSA-N	409.354	3.356	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2ccc(F)cc2)cc1	408783585	OWMJGNCXELOHOC-LPYMAVHISA-N	415.446	3.073	50	40	HGGB	
COc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1OC	409199591	HWZCTLQWKPIGNE-GHRIWEEISA-N	408.454	3.347	50	40	HGGB	
Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NCc3ccco3)c3ccccc32)cc1	2358327	LJFXVRIXICTSTJ-MRCUWXFGSA-N	410.433	3.329	50	40	HGGB	
COc1cccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(N)=O)c1	2409339	SDQTVTDLVGOPQL-ODXGNSPJSA-N	407.495	3.224	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1	5675770	WDBGRYCJECDXFF-PXLXIMEGSA-N	410.451	3.227	50	40	HGGB	
Cc1nnc(SCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)s1	5881572	MGRSOOFHQBYNER-QGMBQPNBSA-N	406.924	3.236	50	40	HGGB	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1)SC[C@H]2CI	16478109	SCNUPPUCTAXSJM-BXUZGUMPSA-N	420.279	3.065	50	40	HGGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2cc(Br)ccc21	18276200	URMYPARNTRSFEZ-FXBPSFAMSA-N	414.259	3.124	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1cc(Cl)cc(Cl)c1	28216613	IERFWCISRFXRNJ-SSDVNMTOSA-N	409.317	3.183	50	40	HGGB	
O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914453	YECCLKKCZBPCOX-MYKKPKGFSA-N	417.252	3.415	50	40	HGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1C	96868613	JCWHQZASVBVXAS-ZHZULCJRSA-N	419.481	3.087	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2	245225868	VUBVNWRXPHTIHJ-QSDOXLQRSA-N	421.975	3.205	50	40	HGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(CCOC)C3=C2C(=O)CC(C)(C)C3)cc1	409140392	DHUPRDOHKRVEDJ-NRFANRHFSA-N	405.498	3.081	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	5725231	NLBOZZFVFUOQLT-XQNSMLJCSA-N	410.474	3.356	50	40	HGGB	
CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccccc2c(=O)n1-c1ccccc1	9310989	FLDJSJIEPCUBHQ-LPYMAVHISA-N	417.381	3.274	50	40	HGGB	
CCc1c(C(=O)NNc2nc3ccccc3c(=O)n2CC)cnn1-c1ccc(F)cc1	24907534	NQXMWWCWPGXMLM-UHFFFAOYSA-N	420.448	3.061	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1OC	59433900	DIKLHFYVCMSNHE-WSDLNYQXSA-N	417.849	3.011	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c3ncccc23)cc1	59459139	OPZMXLITZIEMCU-UFFVCSGVSA-N	400.232	3.475	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OC	408567634	PBRWHTBZRGEOPH-FOKLQQMPSA-N	418.877	3.210	50	40	HGGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)C(=O)Nc1ccc(O)cc1	408794538	SNNYCKRWPXHXFV-KPKJPENVSA-N	417.215	3.164	50	40	HGGB	
COC(=O)[C@@H]1C2=C(C(=O)C[C@H]1c1ccccc1)[C@H](c1ccccc1)C(C#N)=C(N)O2	1616031322	LBCHRUKIOPRPLZ-DBVUQKKJSA-N	400.434	3.294	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc(I)c2)c1	1959528	KSEYBRCMUSQTDY-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CCN(CC)CCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2	2252672	YVRXPRSSYWVDSY-OAQYLSRUSA-N	422.529	3.115	50	40	HGGB	
CCN1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2cc(Cl)ccc21	8756637	ZKGBUYYCARKUCH-HMMYKYKNSA-N	422.666	3.309	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccc(C)c(C)c1	11690312	BUOFGFYBBAYXQJ-LOKSUBMMSA-N	421.522	3.484	50	40	HGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccccn2)cc1	40115862	QFZOKIJPXZPSNG-UHFFFAOYSA-N	418.497	3.311	50	40	HGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1	59472875	LMDWGDCWJFTJDH-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
C=CCOc1cccc(/C=N/NC(=O)C2CCN(C(=O)c3cccc(OC)c3)CC2)c1	409006627	QGPHUVQQRNELLQ-KOEQRZSOSA-N	421.497	3.263	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCCOc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409132456	ZWCBAOOZSHBPBN-RTBURBONSA-N	408.479	3.237	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1	4157184	ILIHAQRYFFVASO-LRRLDJKKSA-N	413.109	3.277	50	40	HGGB	
O=C(CCl)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	9062393	FKQGKWGZMBYZRO-UHFFFAOYSA-N	401.766	3.074	50	40	HGGB	
O=C(Cc1nc2ccccc2[nH]1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	12587964	YGXABNLFYCALAO-WEMUOSSPSA-N	409.449	3.173	50	40	HGGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C1CCCCC1	226763730	FIGDEIISZPQCOA-LIBFEPKXSA-N	405.130	3.097	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	408775321	GMZTXXDXZGWPNL-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NCCc3ccccc3)c2C)c1	408970496	AKVJHPCUWJDDKF-WGOQTCKBSA-N	402.498	3.212	50	40	HGGB	
COc1ccc(C(=O)NCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1OC	3080486	PBDXOZFLVPAELX-UHFFFAOYSA-N	417.465	3.002	50	40	HGGB	
COc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(OC)c1	5525388	VUJGONBNYSWSDP-NBVRZTHBSA-N	417.469	3.185	50	40	HGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2N)c1C	14257450	JXBPHBLAPXSGPC-FSJBWODESA-N	407.430	3.357	50	40	HGGB	
O=C(NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)c1cccnc1	46305709	GJQDCDCCYZMRFN-UHFFFAOYSA-N	415.375	3.238	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1F	408777827	JTSXCAPOACDHTH-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Br)c1OC	409137699	YHVKYJLCGYQKAW-AWEZNQCLSA-N	405.252	3.106	50	40	HGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	409363335	LGFYIFRNBJCWOW-LPYMAVHISA-N	407.382	3.319	50	40	HGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O	1215002	DMPZAIRGTJRWCD-UFFVCSGVSA-N	406.280	3.424	50	40	HGGB	
O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O)c1cccc(Cl)c1	2225934	FNRNOJSUKAOYSU-LBPRGKRZSA-N	412.660	3.213	50	40	HGGB	
Cc1cc(OCC(=O)NNC(=O)C(Cl)Cl)c(C(C)C)cc1Br	2301745	TXEXOYXCRIZHLY-UHFFFAOYSA-N	412.111	3.211	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(C)c1	7784868	HTQWFOHPTJGOGZ-KEBDBYFISA-N	404.264	3.163	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cccc(Cl)c1	408706767	DKGWLRXOBTYAKA-AWQFTUOYSA-N	409.671	3.042	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc([N+](=O)[O-])c1O	408949444	ICBMFPAAICEQMX-NVNXTCNLSA-N	406.398	3.056	50	40	HGGB	
ICCN(CCI)c1ccccc1	4707929	JQLBXLQMDUHDGG-UHFFFAOYSA-N	401.029	3.363	50	40	HGGB	
CCn1c2ccccc2c2ccc([C@H]3C(C#N)=C(N)Oc4c3oc(CO)cc4=O)cc21	8763219	UOBWMTVBJBIJQT-NRFANRHFSA-N	413.433	3.478	50	40	HGGB	
CCOc1c(Br)cc(C(=O)NNC(=O)c2cccc(C)c2)cc1OC	12885467	AJJIKODJMFAUCB-UHFFFAOYSA-N	407.264	3.240	50	40	HGGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1)c1cccc(F)c1	15134980	VOAQICJNQNLDFB-RNRKLAHPSA-N	420.396	3.335	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1	28217957	SSAXXSOYVLIPDZ-KEBDBYFISA-N	423.263	3.004	50	40	HGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1)C(=O)O	408844902	JBIIDJDYCQUTIZ-OYNCOLRUSA-N	411.241	3.374	50	40	HGGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408921801	CCCZRKBETSXNST-WUXMJOGZSA-N	401.762	3.257	50	40	HGGB	
CCCCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1	409168193	LAZOXFWYNDRWEC-XHFXOGKZSA-N	409.486	3.377	50	40	HGGB	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1	654694	MMDFDKZDQUOZDM-YDZHTSKRSA-N	422.514	3.024	50	40	HGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)o2)cc1	2336268	GJYUCDPVUCXLNY-HLQTZPMBSA-N	420.421	3.413	50	40	HGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(OC)c1	6629974	VGJNUHLHPLLAKR-CIAFOILYSA-N	401.536	3.191	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccccc2)c1	408829734	PVYAEAZESVVCAX-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
COc1ccccc1N(CC(=O)NN=C1CCCC1)S(=O)(=O)c1ccc(C)cc1	408922413	AOSXKUVYADFNBV-UHFFFAOYSA-N	415.515	3.245	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccccc2)c1C	409382665	MZYVIQFERQPQIF-AFUMVMLFSA-N	404.470	3.443	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1	4719394	LPWHFFOAXYBDJY-LRRLDJKKSA-N	413.109	3.277	50	40	HGGB	
Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1	5724868	IKBPUAVDMMLBCB-GFCCVEGCSA-N	416.275	3.306	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)ccc1OC	10476122	ZGEULJLCURBAON-YBFXNURJSA-N	424.238	3.462	50	40	HGGB	
COc1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1O	13476014	QYHLWRXGWSCKPW-NXUONHHFSA-N	421.478	3.384	50	40	HGGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1cccc([N+](=O)[O-])c1	14920851	BZLVCMYJSADYSF-VXLYETTFSA-N	419.781	3.025	50	40	HGGB	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)c1Cl	25540621	GWCIJUXVPPETHI-CGOBSMCZSA-N	401.637	3.159	50	40	HGGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1Br	105456740	SHMFSVMDNZSOAK-ATVHPVEESA-N	413.275	3.380	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	2255429	IAGWGMAWTGACMO-QGZVFWFLSA-N	419.312	3.243	50	40	HGGB	
NNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1	3066303	ZNCLZXZOZHNIRG-JWGURIENSA-N	423.476	3.300	50	40	HGGB	
CCOc1c(Br)cc(C(=O)NNC(=O)Cc2ccccc2C)cc1OC	12990100	HCEUEEIRGRICAR-UHFFFAOYSA-N	421.291	3.169	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C)c1	409063739	MMLFIJRXFDYNFV-QRVIBDJDSA-N	407.426	3.378	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCC(=O)O	409210662	JYKNLYRHTDPHAC-UFFVCSGVSA-N	422.890	3.445	50	40	HGGB	
CCOC(=O)C1=C(C)NC(SCC(C)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	996018	NULSIBTWQUHVEI-QGZVFWFLSA-N	401.444	3.176	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)c(OC)c4)c32)cc1O	1438053	ZLINPPZIPLLWAN-GOSISDBHSA-N	420.425	3.026	50	40	HGGB	
CC[C@H](Br)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12	4073769	PWDJYIKQWNCPJP-IGQGHUGPSA-N	411.292	3.115	50	40	HGGB	biogenic
C[C@H](C(=O)NN=C1C2CC3CC(C2)CC1C3)n1cnc2sc3c(c2c1=O)CCC3	6852722	ZUAFKYAGVOTAII-SHIHICALSA-N	410.543	3.436	50	40	HGGB	
O=C(Nc1cc(Cl)ccc1C(=O)NNC(=O)c1ccco1)c1ccc(F)cc1	12926503	LFRMLOQWGRREJV-UHFFFAOYSA-N	401.781	3.399	50	40	HGGB	
O=C(N/N=C/c1c(F)cccc1F)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	16035415	XGTJQFLJQMKASS-DHRITJCHSA-N	418.407	3.431	50	40	HGGB	
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3)C2)c1	40142781	YQMVYUSKXNWMMK-QGZVFWFLSA-N	413.905	3.270	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1	61965887	WQZBJECPVQLPCI-JUNJMIJGSA-N	418.469	3.075	50	40	HGGB	
N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)NC[C@H]1CCCO1	96311091	YUZIVZGGQMMRLP-WDBUWWRISA-N	401.264	3.041	50	40	HGGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1C1CCCCC1	100550287	FIGDEIISZPQCOA-RHIYVLOFSA-N	405.130	3.097	50	40	HGGB	
COc1cc(C(=O)N/N=C/c2ccccc2OC)ccc1I	408747642	QUIAZXSNRJDGMV-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CC(=O)N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1	409008836	LUJSXFADDKHSTO-DJKKODMXSA-N	412.202	3.479	50	40	HGGB	
COc1ccc(SCC(=O)N/N=C\c2cccn2-c2cccc(C(=O)O)c2)cc1	409109192	ZIWZGSPJTBCBAI-XKZIYDEJSA-N	409.467	3.427	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)[C@H]([C@@H](C)Cl)S(=O)(=O)c2ccccc2)cc1	1762632	XVQJSVUGRINEGD-DYVFJYSZSA-N	409.891	3.272	50	40	HGGB	
CCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1	5465364	FEDNSWMVFTXDCR-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
CCCNC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	6324092	WPUVIEMBMYEFRH-CYBMUJFWSA-N	408.321	3.047	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@H]1c1ccccc1	6496088	SGQJRBWWFBHJAY-IBGZPJMESA-N	403.507	3.343	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1	16284783	YIBHTYHRUAVULW-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-]	100544226	BJFQFDWCPHZXRO-SRZZPIQSSA-N	404.810	3.391	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1I	408904551	LHBUQZGCFJDQSK-XDHOZWIPSA-N	408.239	3.383	50	40	HGGB	
Cc1cc(OCC(=O)NNC(=S)Nc2ccccc2)cc(C)c1Br	2561642	NTEOISPNRHTCBV-UHFFFAOYSA-N	408.321	3.463	50	40	HGGB	
COC(=O)[C@@H]([C@H](Br)C(=O)c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4409353	ODIJROLPAWOZGU-HRCADAONSA-N	406.232	3.440	50	40	HGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1	6684359	MXKOASKSDSDZMR-XLHYMUBZSA-N	410.861	3.183	50	40	HGGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	8969054	SHOAWOBZDCNVLJ-JOCHJYFZSA-N	417.856	3.291	50	40	HGGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2cc(OC)ccc2OC)cc1	14921889	AVFNTTFTZCRPOI-OEAKJJBVSA-N	415.446	3.343	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c1	20208581	JCCOWMSLDGRYRN-UFFVCSGVSA-N	411.886	3.012	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OCc1ccccc1	48572173	PQELNXOZVNIRQC-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc([N+](=O)[O-])c1	59679555	MCOSHOGDYCSHSZ-VCHYOVAHSA-N	407.224	3.314	50	40	HGGB	
C[C@@]1(CI)[C@H]2CC[C@@]1(CI)C(=O)C2	222179875	CYRISYJUPUQPCV-FXBDTBDDSA-N	404.029	3.232	50	40	HGGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C	408706577	BVROALCGHIBVBQ-FOKLQQMPSA-N	423.300	3.258	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c(OC)c1	408871139	XYPUDBXEOWEHOV-VGOFMYFVSA-N	417.259	3.395	50	40	HGGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	636828	HJXYMCNKEYOAIC-MFKUBSTISA-N	423.513	3.352	50	40	HGGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1nc2ccccc2[nH]1	4561995	IBPYXWPECSSPOD-GHRIWEEISA-N	411.465	3.441	50	40	HGGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1C	18103558	BURRUGAQHGLUSU-HNNXBMFYSA-N	410.499	3.380	50	40	HGGB	
CCOc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	32576954	TXYYQDMIHGHPIO-IWIPYMOSSA-N	414.937	3.007	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1Br	58886352	WSSINGBPRPOVOS-LANLRWRYSA-N	404.308	3.479	50	40	HGGB	
CCOC(=O)/C=C/O[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@H]12	169808149	BDHFWWVJQMCQPX-XRARCUHDSA-N	402.560	3.347	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408904341	IBDVQRCOAKZDEI-OCKHKDLRSA-N	414.330	3.030	50	40	HGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	855751	OMOVCJNSHFQXKV-MFKUBSTISA-N	403.438	3.477	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)cc1	1093240	YOINDJLPGQFQCF-AFUMVMLFSA-N	418.453	3.180	50	40	HGGB	
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)Cc1ccccc1	8567570	OBEOQQJHQLYFLK-LLVKDONJSA-N	411.683	3.260	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OC(=O)c1cccnc1	13074671	RPJYZPHRVPONAO-RPPGKUMJSA-N	422.416	3.011	50	40	HGGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1cc2c(s1)CCCC2	32755093	FSSGRVXAPPYVSO-CQSZACIVSA-N	417.556	3.002	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCC(=O)OC	408777130	VSMBEWQRPAYWBF-NVNXTCNLSA-N	421.291	3.161	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	2204204	NSPJTBPMJOWBTE-INIZCTEOSA-N	405.376	3.040	50	40	HGGB	
Cc1ccc2[nH]c(SCC(=O)NNC(=O)c3ccc(Br)cc3)nc2c1	2618201	VHSJGWTYIAZMCL-UHFFFAOYSA-N	419.304	3.187	50	40	HGGB	
COc1ccc2c(c1)C[C@@H](C)C/C2=N\NC(=O)CSCC(=O)Nc1ccccc1	4474717	QXRQUGLLOZZMPL-YWNOGDAOSA-N	411.527	3.470	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Br)c1OC	5661076	JJUZJAINPPWEKE-ZVBGSRNCSA-N	410.243	3.168	50	40	HGGB	
O=C(Cc1cccs1)N/N=C\c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	33288402	ZAXIIKRDJITBGN-UUYOSTAYSA-N	408.435	3.389	50	40	HGGB	
C[C@H](CBr)[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2	253394019	ODBKDMBZQPUAAM-RMRMAHCOSA-N	411.360	3.229	50	40	HGGB	
Cn1cccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1O	409108900	YTIZAWCVCDNQLC-FRKPEAEDSA-N	401.058	3.020	50	40	HGGB	
C[C@@H](Cl)CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2	3178289	RFERUCMRPZZJKB-CYBMUJFWSA-N	417.845	3.453	50	40	HGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1	5408745	AKFRZPXALHZVJD-OAHLLOKOSA-N	410.455	3.382	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	9425647	VFBQGMKQSKEBLE-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	9518716	DARBDDQONSSKSF-UHFFFAOYSA-N	409.793	3.134	50	40	HGGB	
O=C1c2c(sc3c2CCCC3)N[C@H]2S[C@H](CI)CN12	26895259	YIHAABDNQBXSEX-FUXBKTLASA-N	406.314	3.329	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccco1	32220701	UAKISFXLUVTHCC-JJFYIABZSA-N	408.366	3.000	50	40	HGGB	
Cc1cc(NC(=O)N/N=C\c2ccccc2OCC(=O)O)ccc1Br	33721803	KLENDGQFKCUTCI-OCKHKDLRSA-N	406.236	3.377	50	40	HGGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1	226344030	PFXXHNPZWRMKSA-UHFFFAOYSA-N	410.069	3.358	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1C	408565813	ASQQMVBPMRQTBJ-DJKKODMXSA-N	406.236	3.373	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)O	408790768	YKZZGCOXUSAJAH-WUXMJOGZSA-N	402.790	3.063	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(N)=O	408815739	UJGPMYNBEYKCFK-OVCLIPMQSA-N	413.861	3.457	50	40	HGGB	
Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3Cl)s2)cc1	726398	OJLAGSKCKOEQBK-SRZZPIQSSA-N	413.890	3.445	50	40	HGGB	
O=C(OC[C@H](CCl)OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	1685798	AFRUQYCVCQVGCS-VKHMYHEASA-N	401.284	3.421	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nnc1-c1ccc(C)cc1	13596260	GSWITLBKCQBDAF-WSDLNYQXSA-N	423.498	3.214	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2	58414279	WMXHRFSDNGGSCY-UHFFFAOYSA-N	420.428	3.370	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCC(=O)O	59248324	IERDYZJCQWLLQY-BOPFTXTBSA-N	422.437	3.441	50	40	HGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)CSc1nc2ccccc2o1	85909673	DEIKARBIDYULNI-NHDPSOOVSA-N	407.455	3.270	50	40	HGGB	
COc1ccc(C(=O)NN/C(=C2\C(=O)N(c3ccccc3)N=C2C)C(F)(F)F)cc1	100509963	OTXHHMKZLDFEBY-MSUUIHNZSA-N	418.375	3.169	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1	695702	FSJVRGKMXHOSLS-AWQFTUOYSA-N	417.263	3.450	50	40	HGGB	
COC(=O)[C@@H](Br)[C@H](Br)c1cc(OC)c(OC)c(OC)c1	1704041	JLZNLULNALKSKA-MNOVXSKESA-N	412.074	3.085	50	40	HGGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F	2298371	JDBADFQVKPKISI-CQSZACIVSA-N	411.833	3.079	50	40	HGGB	
COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1O	2675973	JQZDEQXGSWVFOT-ZVHZXABRSA-N	417.893	3.495	50	40	HGGB	
O=C(N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccnc1	3085085	DZHJFNWJLQXYHN-SRZZPIQSSA-N	407.342	3.454	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1	4491474	YIPBQZUVSVFEST-LSHDLFTRSA-N	410.257	3.490	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccncc1	4865355	IAYVUPZZWNTHNS-DEDYPNTBSA-N	400.485	3.098	50	40	HGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)oc2ccccc12	14235800	DTSQXRQRSZVXKM-UHFFFAOYSA-N	414.361	3.263	50	40	HGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	59960679	IDRLJSROEPSFMN-BHGWPJFGSA-N	405.332	3.325	50	40	HGGB	
CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(N)=S)cc1OC	408544203	TZDWJYDLWDFGCU-XNTDXEJSSA-N	411.483	3.304	50	40	HGGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(N)=O)c(Br)c2)cc1OC	408583691	WQIHNWFLDVSQKT-VGOFMYFVSA-N	417.259	3.395	50	40	HGGB	
COc1ccc(SCC(=O)N/N=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1	409244123	YDCJXENXXPKPSH-XKZIYDEJSA-N	409.467	3.427	50	40	HGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)Nc1cccc(C)c1	4690906	MRIBVDSLHNBYMI-WGOQTCKBSA-N	406.486	3.333	50	40	HGGB	
CCCCN1C(=O)/C(=N/NC(=O)c2ccccn2)c2cc(Br)ccc21	5737664	ORFCWKSHOVPHGF-LTGZKZEYSA-N	401.264	3.125	50	40	HGGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	6208336	NAQQEZZSKRUPPZ-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccc(C)cc3)=C2C#N)cc1	6476410	LSIOOCOMSNRBQQ-IBGZPJMESA-N	421.522	3.392	50	40	HGGB	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1	100863863	NUYBPFKKHKEERW-XDHOZWIPSA-N	404.422	3.124	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2	245225869	VUBVNWRXPHTIHJ-XCVBADHISA-N	421.975	3.205	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C	408591203	RZNADKNPYNIIRS-WYMPLXKRSA-N	419.437	3.373	50	40	HGGB	
Cc1ccccc1NC(=O)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408846625	QVNHYNUYGYJJSW-ODLFYWEKSA-N	407.268	3.343	50	40	HGGB	
COCCN1C(N)=C(C#N)[C@H](c2cc(OC)ccc2OC)C2=C1CC(C)(C)CC2=O	409127893	KFRBVYVPPFAVLK-FQEVSTJZSA-N	411.502	3.086	50	40	HGGB	
C=CCOc1c(I)cc(/C=C(\C#N)C(=O)OCC)cc1OC	4832012	XKMKGFIYAKRDQG-KPKJPENVSA-N	413.211	3.335	50	40	HGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)c2ccccc2)c(C)n1CC(C)C	5180785	AFEDXVLOXVGTST-RGVLZGJSSA-N	407.470	3.168	50	40	HGGB	
CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)c1	8733223	FPYKAPWLLQFKDC-OAHLLOKOSA-N	413.312	3.118	50	40	HGGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@@]2(C#N)C(=C(C#N)C#N)N2CCCCC2)cc1OC	35325220	FIQQPAPVEMDOQH-NZQKXSOJSA-N	412.453	3.132	50	40	HGGB	
Cc1ccccc1Nc1ccc(C(=O)O)cc1/C=N/NC(=O)C(=O)NC1CCCCC1	408707225	IAULEARHHZGKJC-ZVHZXABRSA-N	422.485	3.336	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c1	408782181	WNADIJGXRODOFY-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCc1ccc(Cl)cc1Cl	408996509	IJIBDTYRSXJINE-AUEPDCJTSA-N	424.284	3.167	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1	409029181	YZEHELZNBCFMAO-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
O=C(COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1)Nc1ccccc1	409252328	RVPVVICUSJQBHF-UCQKPKSFSA-N	418.409	3.376	50	40	HGGB	
N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)c1nc2ccccc2s1	5024113	DHYDOHAZUPSZMP-FYWRMAATSA-N	415.478	3.205	50	40	HGGB	
CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6264434	AFYDPMRBGNHKSR-UHFFFAOYSA-N	405.907	3.468	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	33664711	CJPCMCJKYAXSNL-HMAPJEAMSA-N	409.446	3.307	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1	35494332	FTSGMPFTGQNPAY-MTJSOVHGSA-N	419.275	3.084	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc([N+](=O)[O-])c1O	36157533	IIBILLSDNRCXLW-FSJBWODESA-N	408.414	3.415	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1c(C)cccc1C	408708429	QCAGGRQVFFMXOD-UFFVCSGVSA-N	403.280	3.006	50	40	HGGB	
N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(=O)N1CCOCC1	409214878	YHNYORZNPJOGET-MNDPQUGUSA-N	401.466	3.486	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)o1	2269364	JEMJFSNUFRLPQA-PDEZOQIOSA-N	407.382	3.453	50	40	HGGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC2C3CC4CC(C3)CC2C4)cc1	4416637	OCUQIRVJAMGEBN-MZJWZYIUSA-N	424.545	3.011	50	40	HGGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1	8426855	OKSFNEJDMIOHFG-FYJGNVAPSA-N	417.874	3.279	50	40	HGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1c[nH]nc1-c1ccccc1	14095232	APMOFSFQOCSQFN-OAHLLOKOSA-N	400.438	3.458	50	40	HGGB	
CC(C)=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	19952985	JRLDMHARZLFFIQ-UHFFFAOYSA-N	413.421	3.413	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1F	36635928	QUIJVNZQWMEKLV-CQHJRZBDSA-N	411.458	3.007	50	40	HGGB	
COc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1	101075915	RVQQDOQGJMXOAX-LPWJVIDDSA-N	417.097	3.122	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1OC	169879804	ZLTHWFLJVJOQFO-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
COc1ccc(CC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC	2663502	SXCOOGXRZAQKNO-UHFFFAOYSA-N	420.465	3.140	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1	3333720	NKPNHVBFTBWXHW-DHRITJCHSA-N	418.453	3.180	50	40	HGGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1	5163510	CFRXAPXQFLNGAR-XDHOZWIPSA-N	411.936	3.340	50	40	HGGB	
CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)[C@@H]1C2	7987647	QQSSEEPYPNQEEG-KNORYGFTSA-N	401.532	3.179	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)ccc1O	13645568	JSIIVQXOUHMYQV-FSJBWODESA-N	424.457	3.351	50	40	HGGB	
Cc1cc(C)nc(NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)n1	14514645	MFMBXQFZKWUFBG-UHFFFAOYSA-N	402.458	3.165	50	40	HGGB	
Cc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(=O)oc2ccccc12	79021727	JCSKFYDSEBWVFA-OAHLLOKOSA-N	416.433	3.483	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)c1	408588271	ISYVYXCCXRNOEK-WYMPLXKRSA-N	419.437	3.373	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	408944909	VZWLQGADEQFYOY-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2[N+](=O)[O-])cc1	1319850	CKRNLBHJFNHORX-PUFAJPFRSA-N	401.419	3.352	50	40	HGGB	
COc1cccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(N)=O)c1	2437501	LCHFSHHTIJOUIX-IMGOXIFKSA-N	413.886	3.260	50	40	HGGB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)[C@H](C)Cl)scc12	9381385	BUOCAXZDONZLNP-NSHDSACASA-N	419.890	3.498	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2)c(I)c1	13477157	HRYJKHJZMSAAJR-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(O)cc2)[C@@H]3CCC1	61992924	SHQCJTGCYLLFFF-FDCKDHBTSA-N	402.498	3.499	50	40	HGGB	biogenic
COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)c1	100927728	JJADNZORHTWYHK-SSDVNMTOSA-N	405.838	3.197	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1OC	409195679	ROHKCOPYUQPGIY-FPQGOQEYSA-N	402.248	3.224	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(O)c1	1434862	AWZVUFMMZXFBPM-LPYMAVHISA-N	405.366	3.284	50	40	HGGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1[N+](=O)[O-])c1cccnc1	4822395	QYXBSMWSAKGJML-MTJSOVHGSA-N	410.261	3.038	50	40	HGGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	6323788	DUKCIGAUNILRCB-KRWDZBQOSA-N	401.532	3.416	50	40	HGGB	
O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccc(Br)cc21	15015343	BQCBHSRWKDVGIR-UHFFFAOYSA-N	424.254	3.454	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	409113094	DMVKJGXKLMOEJI-RCCKNPSSSA-N	403.504	3.025	50	40	HGGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O	409139022	LIDBBYPRFISBSI-VXLYETTFSA-N	400.287	3.153	50	40	HGGB	
O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc2ccccc2n1	2383018	XONOQBXQEGDBLX-ROMGYVFFSA-N	413.481	3.159	50	40	HGGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)s2)c(C)n1-c1ccccc1	2643441	BLXKONCHSMOKEO-UHFFFAOYSA-N	409.920	3.432	50	40	HGGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccccc32)c1	6200203	NBXQKJRSAIAOTI-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c2ccccc21	6570076	RWMJRDUGMMBDFO-ZMOGYAJESA-N	420.469	3.235	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)CN[C@@H](c2ccccc2)c2ccc(C)cc2)cc1	19536090	NOSSDSIABWLAKV-QHCPKHFHSA-N	403.482	3.144	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc([N+](=O)[O-])c1O	36020391	RJMYOLVBVMDMAC-UFFVCSGVSA-N	401.419	3.270	50	40	HGGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[C@@H]3CCC1	57061343	KEEPGHZIENGBLU-AOOMUMSASA-N	421.457	3.294	50	40	HGGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1	408966529	NCGJDZHLSPPHGN-WOJGMQOQSA-N	411.410	3.069	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccccc1	409130174	KOJOPAQUJVYVAE-QZTJIDSGSA-N	423.450	3.266	50	40	HGGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1cncn1-c1ccc(F)cc1	8294269	HCIUFCHQAWPJMA-UHFFFAOYSA-N	406.339	3.034	50	40	HGGB	
COc1ccc(-c2oc(/C=C/C(=O)NN)cc2Br)c(Br)c1	57353804	SHJMGXHNPSOJLD-HWKANZROSA-N	416.069	3.483	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc([N+](=O)[O-])cc1	59248585	SKPXUCPIPXPERK-VCHYOVAHSA-N	407.224	3.314	50	40	HGGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	59515251	HRJGXNQBQZKIEX-RGVLZGJSSA-N	413.390	3.252	50	40	HGGB	
CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(Cl)cc1Cl	96519285	CFLIIXCMRJYUSK-NXEZZACHSA-N	409.072	3.223	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1	211733987	BBDJQBBWCBYJNL-MTJSOVHGSA-N	417.259	3.242	50	40	HGGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NC(N)=O	409234790	YEBFDAZFFYWMKP-ZSOIEALJSA-N	400.232	3.130	50	40	HGGB	
O=C(O)[C@@H](Br)[C@H](Br)C(=O)Nc1cccc(C(F)(F)F)c1	1739502	HUXSUVLDQQTVKW-YUMQZZPRSA-N	418.991	3.256	50	40	HGGB	
O=C(CSSCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1	3228713	YOWSJKIZZZFNLQ-UHFFFAOYSA-N	422.444	3.462	50	40	HGGB	
Cc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)cc1	4944734	BQRQGDIYBVCQCK-RUZDIDTESA-N	410.477	3.430	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1	6180466	ODIJQHVPLGHAKR-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N\NC(=O)c1ccc([N+](=O)[O-])cc1	20191062	IZQNBRHYYTVHMR-HIXSDJFHSA-N	417.425	3.332	50	40	HGGB	
O=C(NNc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)Nc1ccccc1	408727200	XPLRYKGFYPTXCT-UHFFFAOYSA-N	404.478	3.176	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(OC)c2)cc1	408765137	KICOUMCQFSZWPY-GZTJUZNOSA-N	408.410	3.343	50	40	HGGB	
COc1ccc(NC(=O)N/N=C\c2ccc(O)c(I)c2)cc1	408903876	ATPDXCIUTWTMRL-MFOYZWKCSA-N	411.199	3.161	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C	408921886	KKTSUZQGFBRXLM-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I	409235374	ZYOHTSBRTIQBCP-GRSHGNNSSA-N	412.202	3.132	50	40	HGGB	
O=C(NNC(=O)c1ccccc1I)c1ccc(Cl)cc1	5771720	GIQJSTCNEUMVOH-UHFFFAOYSA-N	400.603	3.019	50	40	HGGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccc(Br)cc4)[C@@H]3[C@H]1CC2	9144830	JQOWUEPPUWFFJG-VLQPXKRTSA-N	420.314	3.335	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1	12250339	HQINQWIYKLLEAT-PMACEKPBSA-N	420.490	3.349	50	40	HGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(I)o2)ccc1Cl	942651	GKKLYYGRUUKBDH-REZTVBANSA-N	418.618	3.375	50	40	HGGB	
O=C(O)[C@@H](Br)C12CC3CC(C1)CC([C@@H](Br)C(=O)O)(C3)C2	4529665	PXYZNQHXPDCSOC-KTARAFJVSA-N	410.102	3.269	50	40	HGGB	
CC[C@@H]1CCc2sc(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)cc2C1	9718266	ZEVJXEDKDRFAIT-CQSZACIVSA-N	400.500	3.189	50	40	HGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)ccc21	14152084	DEWGFKWOKNHZKT-NTEUORMPSA-N	417.494	3.235	50	40	HGGB	
Cc1csc(C2=C(N)NC(SCC(=O)NC3CC3)=C(C#N)C23CCCCC3)n1	21722383	HOWOQAGSKBUGKU-UHFFFAOYSA-N	415.588	3.380	50	40	HGGB	
O=C(Cn1cnc2ccccc21)N/N=C1/CCCOc2cc(Br)ccc21	70020417	KPZLKACLCXEQQR-JCMHNJIXSA-N	413.275	3.492	50	40	HGGB	
NNC(=O)CN[C@@H](c1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccccc1	97165208	AUZSHVOWPABSTM-NRFANRHFSA-N	408.889	3.261	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCC(=O)OCC	408782923	LFGBZRJWJXNZQF-WQRHYEAKSA-N	400.475	3.187	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)c1C	408923619	YOTVOJBBWUVQMY-HYARGMPZSA-N	411.483	3.242	50	40	HGGB	
COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1CBr	2362803060	CEDMEAGNFHQGQT-UHFFFAOYSA-N	413.312	3.425	50	40	HGGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc([N+](=O)[O-])cc1	3168488	OPBWQZWRGKDLHU-YBFXNURJSA-N	419.235	3.226	50	40	HGGB	
CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc(I)o1)C(C#N)=C2N	4391252	AVSYGQHCWIAVPO-HNNXBMFYSA-N	410.211	3.335	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1	409025059	KYJMTEYLUXHTAW-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)cc1	409161727	PEABYFLBGPRHLZ-SRZZPIQSSA-N	409.354	3.326	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(OC)c3)=C2C#N)cc1	409321815	JTMVDAGYPTTXFS-SFHVURJKSA-N	423.494	3.414	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1ccc(Br)cc1	58903899	KBPJNDKHOBOLDW-SSDVNMTOSA-N	419.323	3.079	50	40	HGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1	223165176	ULNNCUHUDINMMU-PDGQHHTCSA-N	407.470	3.392	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(I)c1OC	408761455	FOVSETUOMKFJRJ-RQZCQDPDSA-N	414.199	3.055	50	40	HGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(Br)c1	408908241	QQECHOYWXINUGO-RSZPVBOMSA-N	418.291	3.257	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1	1421632	QUXWKMBIOCHZAS-UFFVCSGVSA-N	410.257	3.490	50	40	HGGB	
O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1	7939935	NLVJQBJBBSLDEO-UHFFFAOYSA-N	401.633	3.265	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cncc(Br)c2)c(C)n1-c1ccccc1	8027095	XUSGHTGFQIVQTM-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1OCC	14134657	RRFZXPCLIVALCX-RHLNUJDMSA-N	421.291	3.430	50	40	HGGB	
COc1cc(OC)c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	41780507	QWTUVNYYVGTMHB-UHFFFAOYSA-N	415.324	3.396	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(=O)NCc1ccccc1	408787538	BNSMVWPZWDUCCP-DEDYPNTBSA-N	415.449	3.198	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	408922168	DRFDEHNOLYZTBN-NTUHNPAUSA-N	413.386	3.175	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br	5611262	PNKMIBXUZAJXDD-YBFXNURJSA-N	405.252	3.116	50	40	HGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1ccc(F)c(F)c1F	7519313	JAOLHWDVVHHJQJ-UHFFFAOYSA-N	402.438	3.020	50	40	HGGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21	40137451	BMNUCVUBBZLDIJ-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1	408944371	VHFFBYGPMIKACU-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)o1	2269366	JEMJFSNUFRLPQA-OKFCBPFISA-N	407.382	3.453	50	40	HGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1C	4739666	JCWHQZASVBVXAS-XSFVSMFZSA-N	419.481	3.087	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(I)c1O	5543509	KHKQLFWEODWGAF-GIJQJNRQSA-N	410.211	3.078	50	40	HGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Br)c1O	5661034	FCHDMSYGAKUZNB-DNTJNYDQSA-N	412.671	3.379	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c([N+](=O)[O-])cc1OC	408964897	IJINOTQCRFPGCY-DJKKODMXSA-N	414.330	3.030	50	40	HGGB	
N#CC(C(=O)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)=C1Nc2ccccc2N1	7198601	CJHUJCVTECYZOQ-QGZVFWFLSA-N	419.437	3.243	50	40	HGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	58883648	OMLYSMYINMPLSM-QGMBQPNBSA-N	402.208	3.077	50	40	HGGB	
O=C(N/N=C\c1cc(Br)c(N2CCOCC2)o1)Nc1ccc(F)cc1	408850977	SRMAUZMRYQPVOS-GRSHGNNSSA-N	411.231	3.173	50	40	HGGB	
COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)c1	408969186	ITIDUNICCKYWFD-LSCMLXDISA-N	411.502	3.064	50	40	HGGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1	409365901	SHTYXDNMCNUUPN-GRSHGNNSSA-N	406.236	3.318	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2	706082	WLUMADZMKYUYQM-OAQYLSRUSA-N	403.829	3.159	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O	5880748	NTSNMSBIEOOJEU-DQAKUKQTSA-N	414.314	3.298	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1	19947647	NJJGVGMPYVPXNN-XQNSMLJCSA-N	423.494	3.041	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCC(=O)O	408806447	NECRVTWDKPCAFJ-MHWRWJLKSA-N	410.426	3.411	50	40	HGGB	
CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1	637636	BLWHMUXTEAJCQU-INIZCTEOSA-N	409.552	3.456	50	40	HGGB	
O=C(COc1ccccc1Br)N/N=C/c1ccc(Br)o1	1449528	DMRYBGUAGJBMDS-FRKPEAEDSA-N	402.042	3.334	50	40	HGGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1	4180127	XFLAZZNKEPGGLS-CIAFOILYSA-N	402.838	3.378	50	40	HGGB	
Cc1c(C(=O)NNS(=O)(=O)c2cccc(Br)c2)oc2ccccc12	7380419	ADIXNYHXQFBTRW-UHFFFAOYSA-N	409.261	3.127	50	40	HGGB	
Cc1ccc2nc(COc3ccc(C(=O)NNc4nc(C)cc(C)n4)cc3)cn2c1	11547705	URDYPOREZIZPBM-UHFFFAOYSA-N	402.458	3.385	50	40	HGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccc(Br)cc1	12976618	PWDYQENSKWKZTE-UHFFFAOYSA-N	419.300	3.155	50	40	HGGB	
NNC(=O)c1ccc(OCc2ccccc2Cl)c(I)c1	216820406	OMQXIENOQPKWKF-UHFFFAOYSA-N	402.619	3.127	50	40	HGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C	408592491	YOZUNDUWYULRBH-JHXRPTDYSA-N	405.454	3.064	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408735357	OIMPUZJZYBQBFG-FSJBWODESA-N	422.312	3.355	50	40	HGGB	
Cc1ccc(NC(=O)[C@@H](NNC(=O)c2ccc3c(c2)OCO3)c2ccccc2)cc1	7652801	XROHFVBZPPOOSK-NRFANRHFSA-N	403.438	3.338	50	40	HGGB	
CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(N3CCCC3=O)cc2)cc1	8316001	ZZKHIIFDVMTTAU-UHFFFAOYSA-N	409.486	3.313	50	40	HGGB	
Cc1nc(CSc2ccccc2C(=O)NNC(=O)c2ccccc2Cl)no1	22990477	BXQYXPRZKYIHAJ-UHFFFAOYSA-N	402.863	3.399	50	40	HGGB	
COc1ccc(CCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1Br	28408768	KMPVHYIMFFVPNZ-UHFFFAOYSA-N	423.332	3.402	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl	408612228	UOTFKDKOEZMKPN-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	409273079	VEWKZXGSOXUXNQ-KURUZVKSSA-N	405.410	3.358	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1I	1187956	DSJCQVQUSAQIBM-KEBDBYFISA-N	423.254	3.170	50	40	HGGB	
O=C(CCl)NNc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1	2142980	QKLUKJHXGTZBKC-UHFFFAOYSA-N	423.178	3.188	50	40	HGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C(/c1ccccc1)c1nonc1N	4474260	OOZJILYSZOIGMQ-WUXPNXBRSA-N	401.426	3.141	50	40	HGGB	
O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NNC(=O)c1ccccc1F	6485627	YMTRRDDHRSJALN-UHFFFAOYSA-N	408.385	3.236	50	40	HGGB	
CCC/C(=N\NC(=O)CNC(=O)c1ccccc1Br)c1ccccc1	12418945	FMXVKWZCVSCXAN-OQKWZONESA-N	402.292	3.500	50	40	HGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	15135254	VMEUCBWHXUKLTB-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
CCOC(=O)[C@H](C)Oc1ccccc1[C@@H]1C(C#N)=C(N)NC2=C1C(=O)CC(C)(C)C2	16682177	OPIZAQPLTQFAFC-ORAYPTAESA-N	409.486	3.041	50	40	HGGB	
CCOc1ccc(C(=O)NNC(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1	40142924	VUWKLGRXJRULNU-UHFFFAOYSA-N	410.449	3.031	50	40	HGGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1	408779052	PYVLITCTVYHZIV-CIAFOILYSA-N	407.923	3.380	50	40	HGGB	
CCn1c(SCC(=O)N/N=C/c2ccncc2)nnc1-c1ccc(Cl)cc1	1241399	RVMYCRDZSWUDFJ-SRZZPIQSSA-N	400.895	3.256	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2256182	ATEXBBWXLSUEKR-IBGZPJMESA-N	404.857	3.472	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c(C(=O)O)c1OC	2278171	FCZHUTLWZSOPEO-FSJBWODESA-N	408.410	3.084	50	40	HGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1	5053793	HKOBPEZMUUDKGZ-YDZHTSKRSA-N	400.394	3.213	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	6312908	NVPKYAORTVTBLA-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12	12416698	SIJKFBTUPWSMRZ-QHCPKHFHSA-N	403.413	3.197	50	40	HGGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	19955011	OMKLWZWEXFHRCP-HYARGMPZSA-N	417.531	3.125	50	40	HGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	20086137	JDXCEEBVSXCKRT-RBZFPXEDSA-N	415.449	3.316	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	20102141	VUOPIVXERPSWMT-BUVRLJJBSA-N	414.937	3.007	50	40	HGGB	
COc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(C)(=O)=O)cc1	20210250	JGWIHISWLGDDNW-UHFFFAOYSA-N	409.552	3.170	50	40	HGGB	
CN1C(=C(C#N)C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)N(C)c2ccccc21	22415026	PEALVKHQGAGTBH-ZHACJKMWSA-N	418.409	3.042	50	40	HGGB	
O=C(NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1)c1cccc(Cl)c1	23109486	NDXHEBSGDDVLGU-UHFFFAOYSA-N	416.264	3.278	50	40	HGGB	
CCOc1ccc(-n2c(SCC(=O)/C(C#N)=C(/C)N)nnc2-c2cccnc2)cc1	25424087	YYELIZZYCXEUCO-JXAWBTAJSA-N	420.498	3.145	50	40	HGGB	
C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	25548036	CZJXBZPJABCCRQ-BULBTXNYSA-N	413.341	3.166	50	40	HGGB	in-man
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(Oc2ccccc2)cc1	59444416	OKAKJJOMNCJAFV-OEAKJJBVSA-N	403.394	3.266	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	408611624	RFGAWQINGJNTNJ-GZIVZEMBSA-N	414.676	3.422	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(Cl)c2)C(C)C)cc1	408759302	BTWDKAZEFOBCRT-IUOVYFEOSA-N	407.923	3.102	50	40	HGGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408965371	KVTLTKYMEKVUMU-SRZZPIQSSA-N	411.370	3.047	50	40	HGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)cc1	409237030	VACFSXYMVKMMAU-QXPQOBGOSA-N	410.426	3.491	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OCC	3067314	ZVVGOFISKJSKKO-ZVHZXABRSA-N	417.893	3.294	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2cccc(C)c2)nc2c(C)cccn2c1=O	4205622	UPTLBWJKSZOAQN-GHRIWEEISA-N	400.438	3.313	50	40	HGGB	
O=C(COC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	8433650	MKUOJHUCSHGPJT-UHFFFAOYSA-N	401.633	3.265	50	40	HGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1ccc(C(F)(F)F)n1	9666343	DRPJFXCRBHGZAE-NUGSKGIGSA-N	424.814	3.259	50	40	HGGB	
CCN(CC)S(=O)(=O)c1ccc(NNC(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1	13145948	FGYXZIKAFUCEOD-UHFFFAOYSA-N	421.479	3.082	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccccc2F)cc1	20499735	UCNOVKDOXNVNKG-UHFFFAOYSA-N	403.479	3.376	50	40	HGGB	
COc1ccc(OCC(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1	2398101	MSSHSTBCFDBXEU-UHFFFAOYSA-N	415.833	3.152	50	40	HGGB	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)c2ccc(Cn3cncn3)cc2)cc1	11365817	JUKYHYVVKUQSPX-UHFFFAOYSA-N	417.494	3.438	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C\c1ccccc1F)N/N=C\c1ccccc1F	31637210	JKCOZIOLZLVWSD-GACBQCINSA-N	418.469	3.079	50	40	HGGB	
CCn1c(NNC(=O)c2cc(-c3ccccc3Cl)on2)nc2ccccc2c1=O	40087013	RGEHQUDVXSQQFP-UHFFFAOYSA-N	409.833	3.482	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCC2)c2ccc(F)cc2)cc1	408772882	NTCGWDFTQJDSKS-UHFFFAOYSA-N	403.479	3.376	50	40	HGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408944390	VJITUBJEBBMJQH-OVMKCGGTSA-N	419.323	3.221	50	40	HGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-]	9905823	YXOGVPMNDFPULD-VXLYETTFSA-N	422.235	3.285	50	40	HGGB	
CC(C)=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	19951129	KOYZBJRARZRZBC-UHFFFAOYSA-N	424.320	3.156	50	40	HGGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)Cc3ccccc3)c3ccccc32)c1	40137488	GTQYYOJXIWGMPR-PNHLSOANSA-N	413.477	3.484	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1	102258203	PTWCJPFXFLLWTL-HKAKVCCISA-N	416.543	3.183	50	40	HGGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccccn3)c2)cc1C	409018877	ZQARQZFYEAZDJR-AFUMVMLFSA-N	402.454	3.480	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409190287	RMXVXIDBOZJKJJ-UFWORHAWSA-N	411.639	3.330	50	40	HGGB	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)ccc21	409247530	DCZJAQGBJCHGMV-JYRVWZFOSA-N	400.360	3.441	50	40	HGGB	
COc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	409326209	IFOPRHHSOVVYJQ-GOSISDBHSA-N	407.495	3.083	50	40	HGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1	1091992	CMEUHPKPJCIBCC-HZHRSRAPSA-N	420.473	3.450	50	40	HGGB	
C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc(S(=O)(=O)Nc2ncccn2)cc1	4809267	IQRJSDHZWNQVLX-CHWSQXEVSA-N	403.335	3.338	50	40	HGGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)c1ccc(Cl)cc1	40128391	VJKNHKZWACVGJZ-UHFFFAOYSA-N	400.841	3.285	50	40	HGGB	
O=C(NNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1F	78964342	OVTLKVLIIFFKKG-QGZVFWFLSA-N	420.282	3.186	50	40	HGGB	
O=C(NNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1)c1ccccc1F	78964347	OVTLKVLIIFFKKG-KRWDZBQOSA-N	420.282	3.186	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2cccc(C)c2)cc1	408996407	IEYYNVOEJBDERE-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3n2)cc(Br)c1O	3230183	PWKNZKQEHPBKHH-KEBDBYFISA-N	400.232	3.475	50	40	HGGB	
O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4157191	FIGDEIISZPQCOA-BCFCROPCSA-N	405.130	3.097	50	40	HGGB	
O=C(CSCc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	15228042	LHXXCEMNIBJRIB-UHFFFAOYSA-N	404.289	3.155	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Br)cc1	58911405	GNLKYESANWFKAU-SRZZPIQSSA-N	419.323	3.221	50	40	HGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	58914672	NAGAUFDINYASIR-XKZIYDEJSA-N	422.397	3.342	50	40	HGGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	59444676	PTUKVQVZUGDZFZ-BUVRLJJBSA-N	403.438	3.363	50	40	HGGB	
COCCn1c(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc2ccccc21	72302668	PJCCQZFYYSRWEW-UHFFFAOYSA-N	417.918	3.494	50	40	HGGB	
CC(C)[C@H](Br)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	408526547	BLPBYYFNERJYIH-KRWDZBQOSA-N	423.355	3.225	50	40	HGGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408850734	DHTPFGOUKFEYKQ-YBEGLDIGSA-N	413.861	3.212	50	40	HGGB	
Cc1ccccc1NC(=O)C1(N(NC(N)=O)C(=O)Cc2ccccc2)CCCCC1	5243014	BLRZJYITCNABOJ-UHFFFAOYSA-N	408.502	3.291	50	40	HGGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)c1ccccc1	28214917	UYRDLSUJJAFPAP-YSGZUTGPSA-N	402.454	3.102	50	40	HGGB	
O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(I)cc1	39977946	QEGZOAZEHMKIGK-IUXPMGMMSA-N	400.603	3.414	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2Cl)cc1	39986618	IIEGICVZSZVCDR-JMIUGGIZSA-N	414.314	3.073	50	40	HGGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1Br	59254510	INRKARQNJNBKAG-MKMNVTDBSA-N	415.243	3.410	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCc1ccc(F)cc1	408612602	WAXOSEJYINKPOO-GMJSKMFWSA-N	415.465	3.168	50	40	HGGB	
C[C@@H](C(=O)N/N=C/c1ccc(O)cc1)n1c(-c2ccccc2)nc2ccccc2c1=O	949506	UZIMVZPPCRAXGC-JZCUADNKSA-N	412.449	3.480	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)c1C	2801261	PABUHLRFBACFSS-RQRMZWKBSA-N	421.497	3.391	50	40	HGGB	
CCCCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2cc(Br)ccc21	5737662	BNNROKCDHUENMN-OQKWZONESA-N	415.291	3.433	50	40	HGGB	
Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)NNC(=O)c1ccccc1	9937544	HGDICXDPJZCTBZ-UHFFFAOYSA-N	402.414	3.053	50	40	HGGB	
C=C(C)COc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20029227	OATVYIUNYKICEM-KNQAVFIVSA-N	415.497	3.005	50	40	HGGB	
CCOC(=O)c1c(NC(=O)N/N=C\c2ccc3c(c2)OCO3)sc(C(C)=O)c1C	32223335	QQAWHORPDHUEOR-ZBKNUEDVSA-N	417.443	3.320	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	100539753	LPWHFFOAXYBDJY-ARFNZGECSA-N	413.109	3.277	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc2c(c1)OCO2	408569736	PTACPPSFVRTJNO-KEBDBYFISA-N	402.497	3.423	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cccc(C)c2)cc1	409185272	VIMPCSRNXRJFGO-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1cccc(OC2CSC2)c1	3350244	MEUITPTYUQSQNP-BHGWPJFGSA-N	417.490	3.445	50	40	HGGB	
O=C(CCc1ccccc1)NNC(=O)COc1ccc(Cl)cc1Br	5773292	HJVOQYCAJVJANH-UHFFFAOYSA-N	411.683	3.262	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C[C@H]4CC=C[C@@H]34)c2)cc1	35604133	SCTNEGOSXZHFPX-SCKCAHLASA-N	411.483	3.178	50	40	HGGB	
COc1ccc(-c2ccc(C(=O)n3cc(C(=O)NN)c4ccccc43)o2)c([N+](=O)[O-])c1	226767901	PYBAWUPJBKECDJ-UHFFFAOYSA-N	420.381	3.110	50	40	HGGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2OC)cc1	408735047	MVXJXZFTIYJQDB-SRKIZSPNSA-N	422.481	3.485	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)c1	59463291	XVDYSHJCEUXAMC-BHGWPJFGSA-N	421.409	3.024	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1	102258216	PTWCJPFXFLLWTL-DHMYTKHGSA-N	416.543	3.183	50	40	HGGB	
Cc1c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C	17093890	RVUYXBZUDWTMHV-AQTBWJFISA-N	424.464	3.420	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(NC(=O)c2ccco2)cc1	408839409	RRNMTQVFENCZKG-RGVLZGJSSA-N	423.341	3.112	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccccc2Cl)cc1	408756655	TUZPQZZDNRKNGA-MEGCXXLRSA-N	421.950	3.492	50	40	HGGB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC(C#N)=C(N)N32)cc1OC	408604455	JJIXKJKUYMCPJO-QGZVFWFLSA-N	414.487	3.040	50	40	HGGB	
CC(C)n1cc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2)c2ccccc21	409157968	WJYSALXJFNTFCZ-PDERCVKFSA-N	406.486	3.256	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	408936874	IRZXHBOVPZCVRD-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(Br)c1	409140153	FCLNVBWRMXGPIA-CIAFOILYSA-N	406.255	3.189	50	40	HGGB	
COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1O	31776205	WTMQOSMACKIZTC-XGTDKWECSA-N	407.264	3.389	50	40	HGGB	
O=C(N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21)c1ccc(O)cc1	46085148	CNOYIRKLHJYEJM-LVWGJNHUSA-N	415.449	3.342	50	40	HGGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	101118115	LCLQBIPYLKZKLH-VURSCTDPSA-N	419.484	3.493	50	40	HGGB	
O=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	1711898	HLOQTMLCFCJGHP-UHFFFAOYSA-N	406.354	3.495	50	40	HGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccccc2)c1	6292380	RGEZHJZMENLWKL-PXLXIMEGSA-N	409.467	3.260	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Oc1nc(Cl)ncc1F	15224360	LNYCDNQXTFCLSY-NUGSKGIGSA-N	401.785	3.229	50	40	HGGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519162	AAUVZIZOFMEXJJ-GJZGRUSLSA-N	402.253	3.193	50	40	HGGB	
O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	226855738	ARGHBTATWJTSMN-UHFFFAOYSA-N	424.649	3.178	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)n1	408839889	BDDJUCUCNPZHEU-DJKKODMXSA-N	422.352	3.164	50	40	HGGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1	409208319	AOZBLXGJTHMDJI-IWIPYMOSSA-N	404.470	3.190	50	40	HGGB	
COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1	12284796	ACUDVDIDXSTKAZ-BJMVGYQFSA-N	419.275	3.006	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCOCC2)cc1	38373801	NFDCOHUHPNSUOB-UUYOSTAYSA-N	408.285	3.359	50	40	HGGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	100813192	MWDIWUWDKOTXSK-WGOQTCKBSA-N	411.546	3.453	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408771527	HRFZVDDRIDYEFF-HYARGMPZSA-N	401.532	3.289	50	40	HGGB	
N#CC1=C(SCC(=O)N2CCc3ccccc3C2)NC(=O)C[C@@H]1c1ccc(F)cc1	409311790	IDZPTDPWJRWSPV-LJQANCHMSA-N	421.497	3.482	50	40	HGGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21	1423085	GNENLFSZFGOMSR-XMMPIXPASA-N	414.440	3.261	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1	1427223	AWNRKLNCVOMRKZ-HNNXBMFYSA-N	416.455	3.087	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	2299261	GQWAOZMSAFBZDO-QGZVFWFLSA-N	423.450	3.410	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	4860398	XCLOAGKZLVTSRM-YBFXNURJSA-N	406.236	3.449	50	40	HGGB	
Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NNC(=O)Cc1c[nH]c2ccccc12	40144409	UZOGFZWOLBCLLG-UHFFFAOYSA-N	419.460	3.042	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885027	ZAQRLSZXDOAYEC-OEAKJJBVSA-N	418.409	3.263	50	40	HGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2Cl)CC1	409006898	SBKQIZDFVZMVJZ-LPYMAVHISA-N	414.849	3.251	50	40	HGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1	4813973	ACAKVZKRBIOYHA-PUFAJPFRSA-N	401.419	3.352	50	40	HGGB	
CCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	6843706	NZVNUQFXFVXQHX-LLVKDONJSA-N	424.284	3.109	50	40	HGGB	
Cc1nc(Cc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)o2)cs1	6909045	VLWLLDBFLDACCE-UHFFFAOYSA-N	410.484	3.359	50	40	HGGB	
COc1ccc(/C=N\NC(=O)c2ccccc2I)cc1OC	32292083	VDXFJCNLRNXOKC-ZDLGFXPLSA-N	410.211	3.072	50	40	HGGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1C	408591783	VCSHOZDXACGMIN-IBUSPFOHSA-N	419.481	3.455	50	40	HGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc2c(cc1Cl)OCO2)c1ccccc1	408982083	XNQIKLBYOHSIGO-RSFOSLOZSA-N	417.849	3.396	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1Br	409242437	UZFTZWJGSXQRHV-FYJGNVAPSA-N	418.291	3.058	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)CCC(=O)Nc1ccccc1Br	3167706	HVXGFAAZWJIQJA-UDWIEESQSA-N	404.264	3.327	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1F	17239405	WJQXFUNFDCHDRV-UHFFFAOYSA-N	424.428	3.253	50	40	HGGB	
Cc1ccccc1COc1ccc(/C=C/C(=O)NN)cc1I	226332962	KZLKZIBSRGCBQV-VQHVLOKHSA-N	408.239	3.182	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2Cl)C(C)C)cc1	408759404	DLCUSPRYSRANAA-IUOVYFEOSA-N	407.923	3.102	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccc(F)cc1	408783796	RFMYVFSEEITCNK-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(OC)c(O)cc2Br)cc1	408821264	FMDDHQIYGPSCJL-AUWJEWJLSA-N	417.259	3.395	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)O	409050138	ZHTIFMJHAMRPMO-WUXMJOGZSA-N	404.781	3.497	50	40	HGGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccccc1O	409251457	QFLRLIOZTIGWLU-UDWIEESQSA-N	404.264	3.414	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccccc1O)n1c(-c2ccccc2)nc2ccccc2c1=O	949505	ZWZCQSAYOCGVHK-FYHAJLKWSA-N	412.449	3.480	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	2367018	BQNBYGJSGSLRKZ-BFNDQCEFSA-N	406.305	3.322	50	40	HGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	4942362	GHVFJYNSQNYBRW-MRXNPFEDSA-N	408.439	3.305	50	40	HGGB	
COc1cccc(C(=O)NN/C(C)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1	6013684	KNTVPOWEBPJFKR-SOFGYWHQSA-N	402.266	3.235	50	40	HGGB	
CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	6606960	JMXUBJAIPWPYLD-CIAFOILYSA-N	419.572	3.105	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1cccc(OC)c1	13510695	CNEVBAAEQQBLEL-HGBKYHTQSA-N	411.458	3.007	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C	408784423	QZSIADHWDLKYQA-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1	408921100	CZWJCQSFSKOOTO-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCC(=O)O	409071684	PNNGRGQMWSCBJQ-MHWRWJLKSA-N	408.410	3.138	50	40	HGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12	1433737	IQKKZYGSHRMWDM-UFFVCSGVSA-N	402.248	3.468	50	40	HGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cn(C)c2ccccc12	1444823	DAGRNYBBJDZXHP-UFFVCSGVSA-N	416.275	3.479	50	40	HGGB	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)[C@@H]3CC=CCC3)sc2=O)c1	2221250	SWNJPCPATJFOGQ-WVISFHDSSA-N	419.890	3.116	50	40	HGGB	
CCOc1ccc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCC	14245586	DUACBGLQHMVFNU-UHFFFAOYSA-N	422.547	3.010	50	40	HGGB	
CCCCOc1ccc(/C=N\NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	31729687	OJPXTOUVBUODPX-XKZIYDEJSA-N	413.434	3.046	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)CCCc2ccc(OC)cc2C)cc1	33366128	OJEBPENDPGTLCB-IWIPYMOSSA-N	412.486	3.419	50	40	HGGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCN(C(=O)c2ccccc2)CC1	409004975	GRYRRSCYRYUYEF-HYARGMPZSA-N	414.303	3.452	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2	1440647	SRDHEZHSKVRESL-DNTJNYDQSA-N	405.248	3.324	50	40	HGGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccco2)c1	8167205	ZJAHTPFVUOIWDD-MTJSOVHGSA-N	409.354	3.180	50	40	HGGB	
CCOC(=O)/C(=C/NNC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1	15227509	CLAUTWNWDTYTAO-FOWTUZBSSA-N	417.259	3.013	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	28214608	ZSYJCZIUGYCODB-BUVRLJJBSA-N	403.438	3.477	50	40	HGGB	
CC(C)N1CCC(=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)CC1	39949112	KKJSMMBGBPBDQU-UHFFFAOYSA-N	420.560	3.139	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC	409188762	AGQBOVFYUXBYIF-WSDLNYQXSA-N	404.850	3.445	50	40	HGGB	
O=C(Oc1c(/C=N\NC(=O)c2ccco2)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	409223102	GJZHZNOZRBZJCQ-JAIQZWGSSA-N	424.325	3.079	50	40	HGGB	
O=C(CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)NCCC1=CCCCC1	4700318	CBQGIYIPLFQQCI-UHFFFAOYSA-N	411.424	3.253	50	40	HGGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)C(=O)NCc1ccccc1	14923288	GPBIPNQBLIQWBQ-WYMPLXKRSA-N	421.284	3.131	50	40	HGGB	
O=C(CN1CCOCC1)N/N=C/c1ccccc1OCc1cccc2ccccc12	59246907	WPMDDKDBOJBJJW-PCLIKHOPSA-N	403.482	3.201	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(I)c1O	409050503	WOLUOAZRWVRXOG-CAOOACKPSA-N	414.199	3.061	50	40	HGGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(OC)c1OC	704901	AHFLCXMTXDRUII-KEBDBYFISA-N	401.444	3.096	50	40	HGGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccncc2)cc1	1479404	RHLOAWBUUXVTPZ-YDZHTSKRSA-N	418.482	3.473	50	40	HGGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21	2206455	YABBHFTZXUCCIO-HXUWFJFHSA-N	403.438	3.415	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1	6416894	QAOFWFVOOQACMI-RGVLZGJSSA-N	403.280	3.237	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCc1ccc(C(=O)O)o1	33622352	LWFSCGCRJJCYAJ-JJFYIABZSA-N	410.382	3.035	50	40	HGGB	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1	408614431	CDMRTDJMYQBWEG-AWEZNQCLSA-N	420.296	3.370	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NC1CCCCC1	408774437	WZRGGUSMJIWBQV-OEAKJJBVSA-N	424.457	3.186	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCC3)c2C)cc1Cl	408973119	SCRATVKLBAPIQH-FSJBWODESA-N	416.909	3.265	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccccc3N)cc2)cc1	409006447	JITLTFWVKHFIRC-AFUMVMLFSA-N	402.454	3.359	50	40	HGGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2OC)c1	409235908	QLHPRMGVFFKWGY-AQTBWJFISA-N	407.470	3.476	50	40	HGGB	
COc1cc(-c2cc(C(=O)NNc3ncnc4ccccc34)no2)cc(OC)c1OC	1616031287	KJGHHXVIGZDNGF-UHFFFAOYSA-N	421.413	3.068	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(OC)c1OC	1305230	YRXYKVRVBOTRSI-KEBDBYFISA-N	401.444	3.096	50	40	HGGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)cc(OC)c2)C(C#N)=C(N)O3)cc1	8382634	RSAPFHKQZMEQEE-GOSISDBHSA-N	404.426	3.321	50	40	HGGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)C1c2ccccc2Oc2ccccc21	13635216	JMNYIJMWBKCOPU-UHFFFAOYSA-N	414.377	3.305	50	40	HGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)c1C	2801259	PABUHLRFBACFSS-QDDTUJKSSA-N	421.497	3.391	50	40	HGGB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1	4694862	FQPDPOZSIXKPPM-XQNSMLJCSA-N	407.495	3.028	50	40	HGGB	
CCCCCC1=CCC/C1=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	5163441	ZYVAUBUONNIIHE-LSDHQDQOSA-N	419.547	3.094	50	40	HGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(I)cc1	17819787	QEGZOAZEHMKIGK-CAOOACKPSA-N	400.603	3.414	50	40	HGGB	
CCOc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1	19828949	IKNVIFHMCAFVGR-UHFFFAOYSA-N	423.922	3.446	50	40	HGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	19955465	GFLLEJFLFCZXMP-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C2CCCC2)cc1	59515891	XKSGCVPTLTYWCV-UHFFFAOYSA-N	413.543	3.275	50	40	HGGB	
Cc1occc1C(=O)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	102455838	HPNXXXRFLJKSOR-ZBJSNUHESA-N	404.382	3.177	50	40	HGGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCc3cccnc3)c2C)cc1C	408866465	GMBDSJTVWFQFKF-DICXZTSXSA-N	417.513	3.263	50	40	HGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)o1	409156570	OWEXPWLKGHLPQC-BHGWPJFGSA-N	424.388	3.182	50	40	HGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc2c(c1)OCO2	409177448	AWRZDEZIOBFXLL-DHRITJCHSA-N	401.422	3.143	50	40	HGGB	
C/C(=N\NC(=O)CSc1ncccn1)c1ccc(NC(=O)c2ccccc2)cc1	409185780	QAKDEANDXFKNIF-MFKUBSTISA-N	405.483	3.361	50	40	HGGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N1CCCCC1	4205330	JTPJJVJFOHXIJV-BMRADRMJSA-N	400.438	3.406	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c(C)o1	8143785	MGNQCYQOSRGWJP-IBGZPJMESA-N	413.518	3.410	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc2ccccc2c(=O)s1	12031234	FAOGONQYDQCSIA-UHFFFAOYSA-N	423.277	3.408	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1	32755037	ACAMJSQMPAMGQS-INIZCTEOSA-N	413.543	3.359	50	40	HGGB	
O=C(NNC(=O)c1cccnc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	32969077	MTWQGMUAATYAMB-UHFFFAOYSA-N	422.444	3.470	50	40	HGGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(C)(=O)=O)c1	408775006	FEFBSTXQCDKQLA-LPYMAVHISA-N	401.532	3.343	50	40	HGGB	
CCCCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1	2176067	KTIXAPJKQJTHTO-PXLXIMEGSA-N	417.531	3.090	50	40	HGGB	
COc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(=O)N2)cc1	2795986	KATYAGUDVDZLBY-MRXNPFEDSA-N	410.499	3.322	50	40	HGGB	
C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1	22357294	MOMBKSTZPCSBQK-TYBYMHCUSA-N	423.494	3.019	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	408761352	ITDLNGGXMBXCOE-MEGCXXLRSA-N	421.950	3.492	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O[C@H](C)C(=O)O	409235602	CLDTZXUIZLHZHE-JZOCJUILSA-N	421.247	3.074	50	40	HGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)cc1	409379853	ADKAVBOKEKFPHZ-AFUMVMLFSA-N	410.518	3.253	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)cc(Br)c1O	1444783	UPYWOLOGIJDWBQ-UFFVCSGVSA-N	406.280	3.424	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc1	2253610	FPXHIAGGWDDOHN-OAQYLSRUSA-N	414.465	3.217	50	40	HGGB	
O=C(O)COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	6685025	CZVQLPDELJRCDQ-DJKKODMXSA-N	401.469	3.002	50	40	HGGB	
O=C(NNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)c1ccccc1	13006313	XUXWUTKCDIKXCD-UHFFFAOYSA-N	407.451	3.079	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1c(F)cccc1Cl	20065357	MDVKWRACXCBFJR-WYMPLXKRSA-N	423.319	3.400	50	40	HGGB	
COCCOC(=O)/C(C#N)=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1	33553196	PHDRWNVCNUJGJA-XDHOZWIPSA-N	408.454	3.418	50	40	HGGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1	104704247	HSIUNWWOXIZOOI-JORMNFRLSA-N	417.922	3.195	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	109038300	LTDNXNOXEJRZIF-HMAPJEAMSA-N	409.446	3.307	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408842430	KCVQYHOEGYGJOR-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NNc1c(F)c(F)cc(F)c1F	2640016	NOSGYIQERVCQJI-UHFFFAOYSA-N	422.334	3.360	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1Br	4544329	RLMSGCNPQVQDGP-KEBDBYFISA-N	405.248	3.073	50	40	HGGB	
CCn1c(NNC(=O)CSCc2ccccc2Cl)nc2ccccc2c1=O	11162169	OKJSFTJVZLHIJD-UHFFFAOYSA-N	402.907	3.446	50	40	HGGB	
O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1O	103580404	FZRNDHFRBDJXJJ-NYYJTOMGSA-N	407.308	3.277	50	40	HGGB	
N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)N1CCN(c2ccccc2)CC1	408851320	BKGYLOAWAVASDB-GDNBJRDFSA-N	412.833	3.210	50	40	HGGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	408975456	KOCDLAABYZVIRK-FOKLQQMPSA-N	408.368	3.029	50	40	HGGB	
CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1	408997416	OLEZNGSKRVDFKN-YDZHTSKRSA-N	413.543	3.364	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccccn2)c1OCc1ccc(C(=O)O)cc1	409186491	CSNMIPWZXRRGAD-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C	409212445	QCVVBXLWAIKSMT-CFRMEGHHSA-N	421.453	3.330	50	40	HGGB	
Cc1ccc(O[C@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)c(Br)c1	23397293	QBHGDJPCDPPJGY-GFCCVEGCSA-N	405.248	3.404	50	40	HGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408612574	VUAXUDRKRYYIQO-CHOFVFFHSA-N	417.893	3.292	50	40	HGGB	
CCOC(=O)/C(=C/NNC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1	408893205	LBGNNLYTDYDDTA-GHRIWEEISA-N	420.387	3.199	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1	408906612	ILIIPFZFYGPORQ-UDWIEESQSA-N	414.314	3.300	50	40	HGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1OC	2246413	LMCCWXOGMZDZAY-LJQANCHMSA-N	419.437	3.033	50	40	HGGB	
COc1cc(/C=C/C(=O)N/N=c2/sc3ccccc3n2C)ccc1OC(F)F	3308545	SKGFKPWVLHMICW-HXUWVWILSA-N	405.426	3.495	50	40	HGGB	
CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2	17090242	XORAYYQDWBBDQW-VZUCSPMQSA-N	415.383	3.107	50	40	HGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	40140687	NBYIWHXMWPYTCM-HNNXBMFYSA-N	416.522	3.389	50	40	HGGB	
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1	6363903	QTUAIUZGEUEAFP-COHNVNCPSA-N	418.559	3.407	50	40	HGGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc3ccccc3cc2OC)cc1	8209053	UTNYXRAEWRTTOV-HNNXBMFYSA-N	408.454	3.476	50	40	HGGB	
O=C(CCSc1ccc(F)cc1)NN[C@H](C(=O)N1CCCC1)c1ccccc1	15489999	HVBMTXVZJMPHGD-FQEVSTJZSA-N	401.507	3.292	50	40	HGGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1	20213877	WNXJLRKPIRAACT-HYARGMPZSA-N	417.531	3.009	50	40	HGGB	
CCC(CC)=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1	59515873	BUHXKKJTSGTFRY-UHFFFAOYSA-N	401.532	3.478	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1	104815360	QIOHLFKWBNQACF-DMTNHVFBSA-N	417.472	3.147	50	40	HGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408796349	XYQXLJKEFMPTEO-FOWTUZBSSA-N	413.861	3.027	50	40	HGGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccc2c(c1)OCO2	2747453	YYGANTFDCSQPDH-KEBDBYFISA-N	418.247	3.047	50	40	HGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1	4502569	HTPUMDRUNWYIHM-UFFVCSGVSA-N	406.891	3.275	50	40	HGGB	
C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccncc1	5652452	RZMNMYKQEWDLFS-DEDYPNTBSA-N	400.485	3.098	50	40	HGGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNc2cccc3ccccc23)c2ccccc21	5706323	GYMXXOFJJQZMSR-NFFVHWSESA-N	411.465	3.423	50	40	HGGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)n1	8292384	RVFCFSQTHGNGLM-UHFFFAOYSA-N	405.483	3.238	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1C	16839340	RIGCZHDSGZFZMN-UHFFFAOYSA-N	409.873	3.242	50	40	HGGB	
Cc1c(C(=O)NNC(=O)Cc2csc(NC(=O)c3ccco3)n2)oc2ccccc12	17448912	OJSWLWIOMHNSDI-UHFFFAOYSA-N	424.438	3.047	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccc(Br)c1	27527999	BAPWYYRFDDMIRQ-PXLXIMEGSA-N	416.319	3.435	50	40	HGGB	
O=C(NNC(=O)c1ccccc1O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	30571912	DGPLLEMSCAQWLE-HXUWFJFHSA-N	400.438	3.161	50	40	HGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3	32608373	XINQFIARWFIBBG-ZVBGSRNCSA-N	412.789	3.218	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	409219364	LXBPPSQJURPMDR-JAIQZWGSSA-N	424.325	3.079	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)[C@@H](C)Nc2ccccc2C)c1O	695778	CQYBSKJURHHJQV-HMASQMOLSA-N	406.280	3.422	50	40	HGGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(OC)cc(OC)c1	1026279	BQUVGFHAURUTFV-LJQANCHMSA-N	406.438	3.486	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	1476192	JXPZUVSBTOZXJT-LJQANCHMSA-N	404.857	3.472	50	40	HGGB	
CNC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O	2412827	HLNHJZIXQRBCIK-GXDHUFHOSA-N	408.845	3.410	50	40	HGGB	
O=C(CCSc1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	5205729	ONOWVAIAJDIVEU-UHFFFAOYSA-N	404.289	3.404	50	40	HGGB	
Cc1ccc(NC(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)cc1	6212767	PKGHPJSDRZWMSW-DJKKODMXSA-N	406.236	3.377	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1	6226678	GJLMCUTURMGQGY-RGVLZGJSSA-N	406.280	3.296	50	40	HGGB	
Cc1cc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)ccc1Br	12993321	GAQWVHSERMCMHS-UHFFFAOYSA-N	423.288	3.435	50	40	HGGB	
Cc1cc(=O)oc2c(/C=N/NC(=O)c3cc(Br)ccc3O)c(O)ccc12	16266768	VYPXDVMRNCPIRV-DNTJNYDQSA-N	417.215	3.039	50	40	HGGB	
COc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	46085021	XQQJNVMCHSBXIE-RWEWTDSWSA-N	415.449	3.141	50	40	HGGB	
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S	118918616	VRARBZPXAFLRSH-WCJLJOFASA-N	416.595	3.163	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(I)c1O	408802317	YZBLKJYYKJICOZ-PQTFEYQYSA-N	414.243	3.217	50	40	HGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1)C(=O)O	408814747	HNUDCPITGNRHSW-XEQXHXIFSA-N	406.236	3.457	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)cc1C	409068190	KOWYUSQYILJSIG-ROTLSHHCSA-N	419.872	3.447	50	40	HGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc([N+](=O)[O-])cc4)c32)c1	1097830	DHQPDDRMIRRBLR-QGZVFWFLSA-N	419.397	3.220	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	5953560	NFKFJTBTGHGWDA-HZHRSRAPSA-N	410.474	3.356	50	40	HGGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3OC)CC(=O)N2)c1	9089380	SZWCHERNDDBOCA-QGZVFWFLSA-N	423.494	3.414	50	40	HGGB	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccc(Br)cc3)c2C)cc1	12867982	BCGQATIODBBXSP-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)c1	20207679	ZUUQKJFTMRUYAZ-ZVHZXABRSA-N	421.522	3.163	50	40	HGGB	
Cc1sc2ncn(CC(=O)N/N=C\c3ccccc3O)c(=O)c2c1-c1ccccc1	54219799	GMWQADIENVJAQD-MYKKPKGFSA-N	418.478	3.289	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O	408907271	NUFKAUULXSQXAA-OQKWZONESA-N	401.532	3.194	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)c(C)c(C#N)c2=O)cc1Cl	409058858	LTRPCRMARWJTHI-GATIEOLUSA-N	423.835	3.277	50	40	HGGB	
NC(=O)CCn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21	409389983	BKSIKXOACIWWCK-MZJWZYIUSA-N	413.481	3.232	50	40	HGGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccnc3)c3ccccc32)o1	409393813	SKMXXBXPPKIOGX-WYMPLXKRSA-N	402.410	3.228	50	40	HGGB	
COC(=O)[C@@H]1C2=C(C(=O)C[C@H]1c1ccccc1)[C@@H](c1ccccc1)C(C#N)=C(N)O2	1616031324	LBCHRUKIOPRPLZ-VDGAXYAQSA-N	400.434	3.294	50	40	HGGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21	40137454	RZHMWOJPEOJBJW-LVWGJNHUSA-N	415.449	3.260	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1	102629607	VVKKUJVHRSLCGV-RNJOBUHISA-N	401.098	3.421	50	40	HGGB	
CO/N=C\C(C#N)=C/C=C/Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104210874	UDVMGMNVLPWLHW-YJQUNYQKSA-N	401.448	3.100	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC	409203628	ZMYOTFLSHUAVHP-UFFVCSGVSA-N	422.890	3.143	50	40	HGGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)NC(N)=O	409239781	QHLFLNDCTMWVCG-LCYFTJDESA-N	421.844	3.035	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)c(O)c1	802289	JRHIBEMOWZYWFG-UFWORHAWSA-N	413.655	3.346	50	40	HGGB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1C	12857228	FPYICQAVXSYROZ-UHFFFAOYSA-N	423.516	3.165	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(I)c1O	13586138	XZBHFOWOBCWQIT-VXLYETTFSA-N	424.238	3.468	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2I)c(OC)c1	60512598	DZCPNFXJSHGAOZ-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
COCCn1nnc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2c1=O	96222638	FZZKMYZVNXMNFV-AWEZNQCLSA-N	408.549	3.091	50	40	HGGB	biogenic
CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C2/C(=O)Nc3ccccc32)C1	97962598	WTBKCPCPWFYJGL-QGZVFWFLSA-N	412.534	3.448	50	40	HGGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)[C@@H]1C2	102982169	QQSSEEPYPNQEEG-KPQBVPQESA-N	401.532	3.179	50	40	HGGB	
C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)NCC1(c2ccccc2)CC1	10496793	PMQJQXXGNUGHKY-CQSZACIVSA-N	409.515	3.159	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCc1ccc(C(=O)O)o1	108032139	RHNUFLHLEIEDDD-JMIUGGIZSA-N	400.412	3.391	50	40	HGGB	
C/C(NNC(=O)c1cccnc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112286987	WUBOAZMIAOLVJS-HKWRFOASSA-N	415.428	3.180	50	40	HGGB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NNC(=O)CC#N	408537296	ZVUDUZNRGLTXRW-STZFKDTASA-N	417.513	3.295	50	40	HGGB	
CCOC(=O)c1ccc2nc(N[C@]3(C(F)(F)F)C(=O)NC(C)=C3C#N)sc2c1	4690103	ORGQYIWXQCCQON-INIZCTEOSA-N	410.377	3.113	50	40	HGGB	
O=C(CCc1nc2ccccc2s1)NNC(=O)c1cncn1-c1ccc(F)cc1	5267611	HLPVUIOORDTLTP-UHFFFAOYSA-N	409.446	3.015	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCc2ccccc2C1	20393618	VBKIKESEWCBZSK-VULFUBBASA-N	400.482	3.412	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1cccs1	23109409	FHWKWLJWFKLLQR-UHFFFAOYSA-N	422.293	3.340	50	40	HGGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cc2ccc3ccccc3c2[nH]1	2448683	XRYHGOPVFBXNDX-JOCHJYFZSA-N	417.421	3.442	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)C[C@@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1	4700374	MJSHEORCFTWZSH-ZDUSSCGKSA-N	417.893	3.473	50	40	HGGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(=O)c1ccccc1)OCO3	5985081	YXNHUGXCWTYFNU-UHFFFAOYSA-N	409.467	3.079	50	40	HGGB	
CCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccco2)cc1OC	12275235	QHZCWAYVIVQJFM-QKKBWIMNSA-N	412.467	3.330	50	40	HGGB	
CCCCOc1ccc(C(=O)NNC(=O)c2nc(SC)ncc2Cl)cc1OC	29557362	KMAZMCAYVNWHEH-UHFFFAOYSA-N	424.910	3.114	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)cc1OC	33792876	PFQSFKJHTRANTJ-CIAFOILYSA-N	417.259	3.242	50	40	HGGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1	96193226	AYXHSLUKRLYJQV-MHWRWJLKSA-N	421.409	3.056	50	40	HGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1	109047668	BAHHDZFFYKOVET-XDHOZWIPSA-N	418.479	3.048	50	40	HGGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)cc1	409021020	WYNNNLMJJVRPLE-MUBJSKCLSA-N	401.419	3.101	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3)c(C)c(C#N)c2=O)cc1Cl	409055508	CHAIDCCPTPBKFM-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
CCCOC[C@H](O)C[C@H](Cc1ccccc1)C(=O)NNC(=S)Nc1ccccc1	5585102	HPPXOFJGKHBUTD-AZUAARDMSA-N	415.559	3.041	50	40	HGGB	
N#C/C(C(N)=O)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1	16755404	CBCSIWKCDIACTJ-JQSQVVPISA-N	401.850	3.391	50	40	HGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)c1C	21676862	MHXUXNZLPCYIRA-JJEHFPDLSA-N	420.513	3.304	50	40	HGGB	
CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C)C3)[C@H]2C(=O)O	102207238	RGSUWFWNRXLWAW-IZPYDPNXSA-N	416.543	3.327	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)c2ccccc2)cc1C	32909642	MUFSXZREFLIPPK-SFHVURJKSA-N	411.483	3.144	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCc1ccc(F)cc1	408613300	YVBHGCGCXMABCE-DHRITJCHSA-N	415.465	3.026	50	40	HGGB	
O=C(O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1	408813992	GLADILPEAVTYEJ-UKWGHVSLSA-N	417.215	3.423	50	40	HGGB	
CCOc1ccc2nc3sc(C(=O)NNC(=O)Cc4ccccc4)c(N)c3cc2c1	917121	IERFIWDCMQJWBY-UHFFFAOYSA-N	420.494	3.434	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1C	1838651	WCLDGILDFRXSIE-TVJQZGFISA-N	422.466	3.076	50	40	HGGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1	5270018	YZTQPFRRZFUWSV-MRCUWXFGSA-N	414.465	3.179	50	40	HGGB	
Cc1ccccc1NC(=S)NNC(=O)COc1cc2c(C)cc(=O)oc2cc1C	6276339	GOWXTXYKRQFRTI-UHFFFAOYSA-N	411.483	3.115	50	40	HGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O	408950336	JGDQXQXYZOYLKR-NVNXTCNLSA-N	406.398	3.056	50	40	HGGB	
CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	409325533	ZSUXTHDYUIGQJC-CQSZACIVSA-N	422.348	3.389	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1	1089154	IABQJYFJCNWUMR-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@H]2C1	4473464	JNVTYUPAKPLUSW-SIKLNZKXSA-N	417.513	3.228	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Oc1nc(Cl)ncc1F	6647154	IDOUXVNKAPWNFZ-LIMNOBDPSA-N	401.785	3.229	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2OC)N1C(=O)CCl	11692284	KQXMMSCTNRYOON-UWJYYQICSA-N	412.873	3.431	50	40	HGGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1	226344642	NFASPSSEIVOXPY-UHFFFAOYSA-N	410.069	3.358	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCC	408541865	FHGJGOWRODIERP-BJMVGYQFSA-N	402.257	3.282	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(N)=O	408811476	VRTZVCXHMODHJI-OQLLNIDSSA-N	413.861	3.457	50	40	HGGB	
C#CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OCC	409015709	QBARHAUUJCZETG-MYYYXRDXSA-N	403.438	3.175	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1	409218702	JUOPTXIJEMTIMJ-JAIQZWGSSA-N	424.325	3.079	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1OC	409391162	HMGLBPPVETXRTR-KEBDBYFISA-N	423.263	3.335	50	40	HGGB	
Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc4ccccc4cc3O)ccc12	1244054	FOELBGGBWMECIE-WYMPLXKRSA-N	402.406	3.489	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1O	2708577	IJUBIQDPAOAKOO-UKTHLTGXSA-N	411.483	3.376	50	40	HGGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cccnc2)c1	9285176	GPSMHKHGESTUQA-HZHRSRAPSA-N	424.482	3.045	50	40	HGGB	
O=C(NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O)Nc1cccc(Cl)c1	23136124	LXADHHSNRMYJNH-UHFFFAOYSA-N	414.824	3.156	50	40	HGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OCC	59333084	BRKXEDPNXZRSJI-FXBPSFAMSA-N	415.493	3.353	50	40	HGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c(I)c2)cc1C	408963347	NJAGNODYGKALMI-AWQFTUOYSA-N	423.254	3.176	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1	409248176	CJQPWKNUWIMCDY-BFNDQCEFSA-N	406.305	3.322	50	40	HGGB	
COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cc(O)cc(O)c3)c2)cc1	13321581	QHRYNMXTLKRVPJ-YDZHTSKRSA-N	406.394	3.090	50	40	HGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	408870914	WCDDEIGDRORKGH-VGOFMYFVSA-N	401.806	3.489	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	2237382	MJPMNBMPHKSEEZ-INIZCTEOSA-N	406.269	3.328	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2246605	RJIFCWGRYKQLPR-INIZCTEOSA-N	419.312	3.243	50	40	HGGB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1Cl	3060616	DVRVMVTXSIHJPH-UFWORHAWSA-N	420.705	3.075	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1	3085126	YXFXCIKPCPIWDB-WPWMEQJKSA-N	415.493	3.484	50	40	HGGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	6355264	OENWBSWFNRSHCS-IBGZPJMESA-N	421.522	3.474	50	40	HGGB	
O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=S)Nc1ccc(Cl)cc1	8680956	ZHBZPEKEPADJDG-UHFFFAOYSA-N	409.796	3.430	50	40	HGGB	
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NNC(=O)c1ccc(Cl)cc1	28807261	WXHRKKRSINLUTD-UHFFFAOYSA-N	422.297	3.332	50	40	HGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccn1-c1ccc(C(=O)O)cc1	409223003	YKKWQLVPFWLRLY-CIAFOILYSA-N	424.438	3.326	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	657430	RXSYYTBSCOBUDR-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Br)ccc2O)cc1	2393955	JGZVJOYEZAMHFU-RGVLZGJSSA-N	420.263	3.032	50	40	HGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=S)Nc1ccccc1	4550663	DLHWXIPULDTDQC-UHFFFAOYSA-N	402.479	3.173	50	40	HGGB	
Cc1ccccc1C(=O)NC1=N/C(=C(/C#N)C(=O)NCc2ccco2)c2ccccc21	5246795	XYJFTMJLQZGGNV-MRCUWXFGSA-N	410.433	3.329	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCc1ccccc1	17472481	YDHCAGBTOUIXPQ-AFUMVMLFSA-N	421.453	3.024	50	40	HGGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cc([N+](=O)[O-])ccc1O	20247919	BYPZPDUQIGSIRE-QGMBQPNBSA-N	424.276	3.446	50	40	HGGB	
Cc1cccc(/C=N\NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1	32123409	RTYKVQGYIAURFK-KQWNVCNZSA-N	407.495	3.341	50	40	HGGB	
Cc1ccccc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1	408706746	DANMKEYCNGMSHM-SRZZPIQSSA-N	415.291	3.230	50	40	HGGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1	409313049	AVKZPLIXBIFDIU-QGZVFWFLSA-N	421.478	3.184	50	40	HGGB	
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)c1	9704271	WYSDHDPLJDKUJN-UHFFFAOYSA-N	423.494	3.179	50	40	HGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)OCCC#N)=C(C)N1	19815907	KTTDSOCEJIVJAU-LJQANCHMSA-N	411.483	3.136	50	40	HGGB	
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NNc1ccccc1[N+](=O)[O-]	32747741	FUTFVXUSOIQGFN-FRXJQHJJSA-N	414.506	3.395	50	40	HGGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	58915766	IRMVHTHWDLTMGR-HFITWMCCSA-N	414.487	3.062	50	40	HGGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccccc2Br)cc1	1410845	QTVBJCCDULFJCH-UHFFFAOYSA-N	422.304	3.257	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC#N	4559138	NMBVATKYEVLTMV-NRFANRHFSA-N	413.437	3.310	50	40	HGGB	
O=C(CSCCc1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21	408725800	IBRKHGKQQGQLGH-UHFFFAOYSA-N	418.316	3.197	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Br)c1O	3115619	VEUNVFWLZYJEMV-AWQFTUOYSA-N	407.264	3.309	50	40	HGGB	
COC(=O)COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33742159	XFNGOIYBCUEDES-KEBDBYFISA-N	413.411	3.125	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	58912491	PDFFVSRFSNIRPA-WYMPLXKRSA-N	406.408	3.185	50	40	HGGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1	408707061	GPBFTJFBXOPICE-SZMVHAFZSA-N	414.893	3.137	50	40	HGGB	
CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1	408795585	LQFMQOIMSDOOBR-WOJGMQOQSA-N	411.889	3.467	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O	409226044	RNNLPFOIJWSBRI-LFYBBSHMSA-N	420.252	3.412	50	40	HGGB	
COc1cccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c1O[C@@H](C)C(=O)O	409228232	WFUFCWCEZUGIOY-RQSOKRQSSA-N	424.375	3.259	50	40	HGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C	13063006	RQRSGYXSZUHSLB-QGOAFFKASA-N	405.454	3.261	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(C)o1	40073511	SYKZHDHYZJZNMM-UHFFFAOYSA-N	406.364	3.484	50	40	HGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(Br)cc1	1189816	KJVGDUPXCLFMCP-VIZOYTHASA-N	419.016	3.411	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c(Br)c1	1434994	ICMGNZDELNVTIB-UFFVCSGVSA-N	416.275	3.479	50	40	HGGB	
COc1cccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccccc4OC)CC(=O)N32)c1	12276019	ZYUVYRJFCFUPAM-JTSKRJEESA-N	408.479	3.347	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	31842161	OXNXSIXRPCVVGL-QRVIBDJDSA-N	406.398	3.484	50	40	HGGB	
CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21	100175612	KMABWKCHLYZXPW-NJNXFGOHSA-N	407.518	3.422	50	40	HGGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(OC)c1O	408882269	NFLQNHKTNBFVKX-VCHYOVAHSA-N	408.454	3.370	50	40	HGGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409012380	JRAIHRAVJDUQEZ-LFVJCYFKSA-N	418.453	3.277	50	40	HGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	409210002	HSGJKNFIURNBQL-REZTVBANSA-N	410.795	3.104	50	40	HGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2	1435220	GAEYDJXUQMKIOU-BUVRLJJBSA-N	402.406	3.441	50	40	HGGB	
O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc(Cl)cc1	8856343	IVSOAQFYEBADEQ-UHFFFAOYSA-N	421.634	3.284	50	40	HGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(C)ccc1C	59516021	TZPVPSMXWDBISP-KEBDBYFISA-N	404.264	3.163	50	40	HGGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C	212078410	PLYUSJXOIYTQTG-ZROIWOOFSA-N	405.239	3.352	50	40	HGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OC)s1	408730522	HFTFYHIMYHZRAS-DEDYPNTBSA-N	403.508	3.148	50	40	HGGB	
O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N(CCCl)CCCl)c1	645220	KMWFWRTXNKMQDV-UHFFFAOYSA-N	401.315	3.407	50	40	HGGB	
N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	690949	DYLPRNHXEAYTSR-SFHVURJKSA-N	419.312	3.341	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O	4515108	QLKYZZITVXMXBL-UDWIEESQSA-N	401.513	3.126	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1O	6639572	VSCAPNBVBNQCMK-OQLLNIDSSA-N	401.260	3.429	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)c(C)n1CC(C)C	8340844	LPOOZGVYDPPSFP-KOEQRZSOSA-N	409.578	3.423	50	40	HGGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)N[C@H](C)c3ccccc3)c2c1	4679726	DJBJZIQJQVTQNH-MRXNPFEDSA-N	420.513	3.132	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1	6166339	BJJQWBHDYKGPPS-JOLLHRLESA-N	424.526	3.303	50	40	HGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1	33780051	BLVQPIFKLLQTKQ-CIAFOILYSA-N	417.259	3.242	50	40	HGGB	
Cc1nc(C)c(C(=O)N2CCC3(CC2)CO[C@H](CI)C3)s1	2056226749	ZAGCZCUCKOIHGK-LBPRGKRZSA-N	420.316	3.206	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21	3372484	FISCZUOMEFASHS-UHFFFAOYSA-N	414.531	3.222	50	40	HGGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)cc2)cc1	4525051	LGXBZNQMFGUKRN-DUBROFONSA-N	419.481	3.215	50	40	HGGB	
COc1ccc2nc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)cc(C)c2c1	8657448	DHQLQDSSAHPYTH-UHFFFAOYSA-N	406.467	3.117	50	40	HGGB	
CCOc1ccc2oc(C(=O)NNC(=O)c3cc(Br)cn3C)c(C)c2c1	12393363	JHTUYUTZLKXIKA-UHFFFAOYSA-N	420.263	3.316	50	40	HGGB	
O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cccc(Br)c1	32124832	FEDPKDXAEMFUEB-ZDLGFXPLSA-N	424.276	3.206	50	40	HGGB	
CCOc1c(I)cc(/C=N/NC(=O)c2ccco2)cc1OC	1104581	DSLJRSWCYUIUQJ-RQZCQDPDSA-N	414.199	3.055	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC(=O)C1CC1	1107255	ZCMJIOSUCDPHQB-IBGZPJMESA-N	408.454	3.461	50	40	HGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2CCCC=C12	2300395	HXTPRPHSPNDIKK-XOBRGWDASA-N	420.270	3.149	50	40	HGGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-]	3248747	FZFBFFJCVVQTPM-INIZCTEOSA-N	423.450	3.410	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)c1	5158675	ARQODTBWYYAAAC-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19830969	FSIVLYANLFPKSC-DENIHFKCSA-N	417.513	3.229	50	40	HGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cccc(Cl)c1Cl	408719444	MMMUELOVQOQHHC-DNTJNYDQSA-N	409.664	3.451	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccc(F)c1	409137707	YLMCRVOZCFSWLN-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl	5747089	LNJHGAOLASHYBG-UHFFFAOYSA-N	417.893	3.111	50	40	HGGB	
CCn1c(NNC(=O)c2cnn(Cc3ccccc3Cl)c2)nc2ccccc2c1=O	11165144	ZLIJTDUEUTXPAX-UHFFFAOYSA-N	422.876	3.072	50	40	HGGB	
COc1ccc(-c2cc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c3ccccc3n2)cc1	104624693	UVAINDPLTOMAJS-RGEXLXHISA-N	401.422	3.393	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2nc3ccccc3c(=O)n2Cc2ccccc2)c1	113928889	QNOFINKOUDNTIQ-MFKUBSTISA-N	412.449	3.217	50	40	HGGB	
C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc2c(c1)OCCO2	408691707	MWWMJCFKTFLIFU-CIAFOILYSA-N	404.264	3.173	50	40	HGGB	
Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	1091246	LZXNXKCINKXBAY-CNHKJKLMSA-N	413.069	3.263	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c(OC)c1	1097713	MKIDORWWZQCVHF-QGZVFWFLSA-N	419.397	3.220	50	40	HGGB	
C[C@@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)NNC(=O)c4ccccc4)cc3c2C1	9454610	KIEKGWLQGTYQMI-HUUCEWRRSA-N	419.481	3.299	50	40	HGGB	
COc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccccc1	19949968	YITRZIJAHVIGTL-UHFFFAOYSA-N	415.515	3.327	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(F)cc3)c2C)cc1	30546819	PDUSOLGTRYCGES-UHFFFAOYSA-N	409.465	3.241	50	40	HGGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59444400	JJURNQBLHLJEJX-GZIVZEMBSA-N	413.739	3.146	50	40	HGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O[C@H](C)C(=O)O)cc1	408844456	JEMOXZGRVBPGDU-JZOCJUILSA-N	421.247	3.074	50	40	HGGB	
Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc4ccccc4c3O)ccc12	1302864	ORWBGKHVJUFJTP-WYMPLXKRSA-N	402.406	3.489	50	40	HGGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	3664790	TYTFQGYQEYTECT-WGOQTCKBSA-N	417.465	3.041	50	40	HGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2)sc2c1[C@@H](C(=O)OC)CC2	4860524	ORZRKPHIBQSETJ-ZVHGMHCTSA-N	410.451	3.283	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2cccnc2)c1OCc1ccc(C(=O)O)cc1	10042019	RNFNLJIHQWKTRJ-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1	20493206	LKFAXOCEALPSDZ-KGENOOAVSA-N	423.922	3.045	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)[C@@H]1c1ccco1	100935729	JNYMAFJWWRAFIQ-LJQANCHMSA-N	415.515	3.306	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1OC	108227865	RFEGBEFMJLAHKE-KEBDBYFISA-N	420.263	3.189	50	40	HGGB	
Cc1cc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)c(C)s1	691081	FILXJMWYPOMFPV-IBGZPJMESA-N	412.559	3.348	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3	891978	OIHQTPWHPSLCJH-SFHVURJKSA-N	409.829	3.474	50	40	HGGB	
O=C1C(CBr)(CBr)CC[C@@]12CN=C(Br)C2	5496397	ZNRANVIWZUFMOM-SECBINFHSA-N	401.924	3.309	50	40	HGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1	6034662	KWCFTPCEMIOHDY-UHFFFAOYSA-N	403.438	3.331	50	40	HGGB	
COc1ccc2ccccc2c1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1	19826217	YCYPZCQXWCBHPO-ONUIUJJFSA-N	416.525	3.116	50	40	HGGB	
CC(=O)Oc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	1434120	CMSRKVYDRYRPPZ-SSDVNMTOSA-N	413.430	3.481	50	40	HGGB	
C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	4502971	ZNGGXRVCRPZIFM-RCCKNPSSSA-N	407.923	3.231	50	40	HGGB	
CCCCCCN1C(=O)/C(=C/NNC(=O)c2ccccc2Cl)C(O)=NC1=S	9087460	YYLUEUPYQIGRNG-ACCUITESSA-N	408.911	3.122	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3F)c2C)cc1	12808661	LNVSNWCHKRTACD-UHFFFAOYSA-N	409.465	3.241	50	40	HGGB	
CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)c1	100720887	ABBPCVDBIQIKJG-XDHOZWIPSA-N	404.422	3.124	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)cc1OC	408691931	YMAWOLQJZYFISM-CIAFOILYSA-N	406.280	3.419	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408789683	QYWZXZWXHGKJDW-LFIBNONCSA-N	410.426	3.278	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)O	409049004	VKYVJUWIHBHFPZ-LZYBPNLTSA-N	414.845	3.425	50	40	HGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Br	409126434	OBAHNIZSNFTTSF-GOSISDBHSA-N	412.287	3.191	50	40	HGGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	409228540	BIUOWDDKCGKHKD-CXDFQFJYSA-N	406.442	3.216	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1	10059323	MKOIUHGINSFONC-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1	13686297	WOBZIOKTWWIRSI-YDZHTSKRSA-N	400.398	3.157	50	40	HGGB	
O=C(N/N=C/C=C/c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408851613	DHLUXVVCQMUGPT-ZHURISFOSA-N	417.918	3.309	50	40	HGGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2319466	HMFZUKSFBFLIJR-AFUMVMLFSA-N	422.448	3.498	50	40	HGGB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNc3ccccc3)C2=O)cc1	5375985	ABDIWYBDDIYNKG-ATVHPVEESA-N	413.524	3.430	50	40	HGGB	
CCOC(=O)/C(C#N)=C\c1cn(CCC(=O)O)nc1-c1cccc(Br)c1	6179709	AWGFHIUSEVIVOF-JYRVWZFOSA-N	418.247	3.257	50	40	HGGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2c[nH]c3ccccc23)c(Br)c1	40144771	YPPFJGNUZKPBOM-GFCCVEGCSA-N	416.275	3.467	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc4c(c3)OCO4)o2)c1	408728886	VZHBHGNOZDNQAI-FSJBWODESA-N	406.394	3.155	50	40	HGGB	
COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1OC	408950372	JLSVEJUHGYVMPH-ATVHPVEESA-N	405.454	3.460	50	40	HGGB	
CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCCBr)cc1	4066388	CDSQQASLSPBQJW-INIZCTEOSA-N	411.296	3.432	50	40	HGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1	4108644	WPNGUCLFQPTWCT-AUEPDCJTSA-N	422.397	3.454	50	40	HGGB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1C	12507949	FLEDFSARWRMUAF-UHFFFAOYSA-N	423.494	3.179	50	40	HGGB	
CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21	409391078	XXWHLTMYJOUPMD-KNTRCKAVSA-N	409.829	3.166	50	40	HGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1OC	1428059	KMSAELIRHJRFML-AWEZNQCLSA-N	416.455	3.087	50	40	HGGB	
Cc1ccc(NC(=O)C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1	1951511	BBEQNGNIFBWJMG-YYADALCUSA-N	412.449	3.001	50	40	HGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nc(O)c2cc([N+](=O)[O-])ccc2n1	6079983	KDDJSBDTFPPGJH-FBCYGCLPSA-N	406.185	3.314	50	40	HGGB	
COc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3cccc(OC)c3)c2)c1	8167148	WTSNONNBRWDPPW-UHFFFAOYSA-N	419.437	3.031	50	40	HGGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	12755238	NVDVATYIQKJCHJ-GFCCVEGCSA-N	417.437	3.246	50	40	HGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	20209497	HYCRIRTXENTCPR-CIAFOILYSA-N	423.922	3.044	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccs1	58871299	AEYAJLMMKRHAEQ-RGVLZGJSSA-N	410.411	3.378	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)cc1	408709112	XUBGRIAQZDVVBB-SRZZPIQSSA-N	403.280	3.087	50	40	HGGB	
CCOC(=O)c1c(NC(=O)[C@@H](CC)SS(=O)(=O)O)sc2c1CCCC2	2188676	DTMSVTKJBGYCFJ-SNVBAGLBSA-N	407.535	3.057	50	40	HGGB	
CC(C)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21	9926817	SPFAGVVCAWPQCV-XMMPIXPASA-N	413.433	3.168	50	40	HGGB	
Cc1ccsc1/C=N\NC(=O)COc1ccccc1I	408993502	DOVJHBOIWKYMGZ-PXNMLYILSA-N	400.241	3.190	50	40	HGGB	
CC/C(NNC(=O)c1ccccc1Cl)=C1/C(=O)N(c2ccccc2)C(=O)N=C1O	9319061	ZSOSJCQXUTWODW-NXVVXOECSA-N	412.833	3.362	50	40	HGGB	
CCCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC	19830970	FSIVLYANLFPKSC-KNQAVFIVSA-N	417.513	3.229	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	4544461	JUIMSEYUHNVURN-PUMYGXPMSA-N	408.454	3.421	50	40	HGGB	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1=O	6050096	KFGHYPRUFSMXSR-UHFFFAOYSA-N	423.513	3.060	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1OC	8566752	UFIXSFIECXUOCN-AWEZNQCLSA-N	410.455	3.382	50	40	HGGB	
Cn1cc(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cn1	12772674	FKTPXLBAZYKULU-UHFFFAOYSA-N	405.845	3.364	50	40	HGGB	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	22873519	HURYMDXXXRVWBN-TZMCWYRMSA-N	407.580	3.211	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c(Br)c1	30900895	CUBAZSFLMVXUBA-UKWGHVSLSA-N	405.248	3.293	50	40	HGGB	
COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1O	58886418	LQZPGDZBLRQWAP-PZUDMAOCSA-N	407.264	3.127	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H]1c1cccs1	100686383	WZTPXPWEUVKTTF-QTJGBDASSA-N	423.501	3.208	50	40	HGGB	
CCCOc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1	102922047	WFTLSTKENCADQV-NRFANRHFSA-N	417.465	3.195	50	40	HGGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1O	409007865	ZZPYRUPUQJNHAU-YDZHTSKRSA-N	415.877	3.057	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2cccc(O)c2)cc1	409019944	LAQNQMZMOIBIRE-OYKKKHCWSA-N	419.437	3.182	50	40	HGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)COc1ccc(Cl)cc1	409100646	RGGYZQGZISMHJE-YDZHTSKRSA-N	417.893	3.487	50	40	HGGB	
CC[C@@H](Br)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12	4073770	PWDJYIKQWNCPJP-XQBGPQTJSA-N	411.292	3.115	50	40	HGGB	biogenic
COc1ccc(C2=CS/C(=C(\C#N)C(=O)CSc3nccn3C)N2)cc1OC	12965261	NQSWKHRJKTYZCO-QGOAFFKASA-N	414.512	3.169	50	40	HGGB	
Cn1ccnc1Sc1ccc(/C=N\NC(=O)Cc2cccs2)cc1[N+](=O)[O-]	34856858	UZMLTKPQHPFZTF-ODLFYWEKSA-N	401.473	3.234	50	40	HGGB	
Cc1ccc(OCC(=O)NNC(=O)C2(c3ccc(Br)cc3)CC2)cc1	40047242	UARMXAZBPWPAND-UHFFFAOYSA-N	403.276	3.016	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCC	409042754	OSGTUXAZRACQTI-LPYMAVHISA-N	415.833	3.352	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC	874180	VUJVBRMJGUGLSY-CXUHLZMHSA-N	420.425	3.359	50	40	HGGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12	1093585	RBZWCIOQJGHHQF-HMMYKYKNSA-N	400.482	3.270	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	4525117	WBPVXLBEAJWWME-NTUHNPAUSA-N	416.817	3.152	50	40	HGGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)/C=C/c1ccc(F)cc1	4675570	DZWRYSQMAQWIMX-RUDMXATFSA-N	407.239	3.136	50	40	HGGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1	9515851	JRCZASDCRWSUGX-UHFFFAOYSA-N	411.512	3.299	50	40	HGGB	
O=C(COc1ccc(I)cc1)N/N=C/c1ccc(Cl)cc1	9891844	YFDRRFXCDFBMON-GIJQJNRQSA-N	414.630	3.474	50	40	HGGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	12769859	RMFHLPZFPFZCKK-OAHLLOKOSA-N	421.428	3.307	50	40	HGGB	
CNC(=S)NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1	13545385	GXWCHBRELOMVES-UHFFFAOYSA-N	411.434	3.116	50	40	HGGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)c2ccccc21	13567662	NNBJYJVYALTQAB-SANMLTNESA-N	420.472	3.125	50	40	HGGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(Cl)cc2)S(C)(=O)=O)cc1	19953875	IYAKTDAKZMUBGY-CNRHGSOZSA-N	423.922	3.044	50	40	HGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	33411920	LSOACQULEMBCSV-UUYOSTAYSA-N	421.369	3.383	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc1	57510538	URBTXVAITUYYTG-GOSISDBHSA-N	409.467	3.041	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c(C)c1	59472748	NOWROTKRHYSYRV-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(F)cc1	408612604	WAXOSEJYINKPOO-MMTYYTLLSA-N	415.465	3.168	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1cccc(Cl)c1Cl	408923972	ITQIPIDSVZIIRQ-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCC(=O)OC	409052582	KVJISHQJTFBMKH-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)o1	409366447	VCMVWHFGXDHCGE-ZVHZXABRSA-N	422.437	3.443	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1	695698	QJVJBHBNVMMIMD-AWQFTUOYSA-N	416.279	3.117	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(C)cc1	934915	BUMDTZKOJZJCEV-HGBKYHTQSA-N	422.466	3.076	50	40	HGGB	
COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3ccccc3Br)cc2c1	12740039	AMKUGHHIFFAZCY-UHFFFAOYSA-N	418.247	3.022	50	40	HGGB	
C=CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(CC)cc2)nc2ccccn2c1=O	13770068	KLZKVUBPPCEBCI-SAPNQHFASA-N	400.438	3.258	50	40	HGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914778	LDQWBCMMXYLZKK-XKZIYDEJSA-N	422.397	3.342	50	40	HGGB	
Cc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	101052289	ILIHAQRYFFVASO-ARFNZGECSA-N	413.109	3.277	50	40	HGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(C)=O)cc1	408718389	WCVDROOHPUMCDP-KEBDBYFISA-N	418.247	3.097	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccc(C(=O)O)cc1	408963954	AUAFWQIWPWWGER-CFRMEGHHSA-N	420.421	3.442	50	40	HGGB	
COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccco1	409123776	HWIUZKAUXOHACO-UHFFFAOYSA-N	406.394	3.302	50	40	HGGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cccc(-n2cccc2)c1	409233308	UTWTUPCMKDUMTO-ULJHMMPZSA-N	404.470	3.086	50	40	HGGB	
O=c1c2c3c(sc2nc2n1C[C@@H](CI)S2)CCCC3	841008	MRKFVDKWXNAXNV-SSDOTTSWSA-N	404.298	3.246	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1	4132493	QQIPVAIDGVBZCX-OEAKJJBVSA-N	400.442	3.042	50	40	HGGB	
N#CCCCN1C(=O)/C(=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	6549052	OSRUOXCWMIOCCO-WEMUOSSPSA-N	411.465	3.423	50	40	HGGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	7892319	HSHFFWQBBJGVGQ-LICLKQGHSA-N	409.183	3.353	50	40	HGGB	
COc1cc(OC)c2[nH]c(C(=O)NNC(=O)c3ccc(Br)cc3)cc2c1	12779293	KWDLFDICJXBHSY-UHFFFAOYSA-N	418.247	3.022	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1ccccc1Cl	32576976	VBEWWZRSQGDPSM-QRVIBDJDSA-N	405.329	3.261	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1C#N	408735303	QCGFEJWATGVLMQ-LYCWOWIHSA-N	417.465	3.348	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1	408786557	KOCVFVBAXJRGNY-CJLVFECKSA-N	417.531	3.125	50	40	HGGB	
Cc1cccc(-n2nc(C(=O)N/N=C\c3ccccc3Cl)c(C)c(C#N)c2=O)c1	409059314	WJFILUYWOOLZEK-MSXFZWOLSA-N	405.845	3.138	50	40	HGGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	1091915	BGCCPLGKLHCOJF-YDZHTSKRSA-N	415.409	3.462	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])cc1OC	1507646	XBSQFRYHFYNTAT-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(F)cc3F)cs2)cc1	12754196	YUXIEPCGXQDWPQ-UHFFFAOYSA-N	423.466	3.274	50	40	HGGB	
COc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)C(F)(F)F)cc2)cc1OC	17093506	LGVGPHFIGGVTJT-ROTLSHHCSA-N	423.391	3.288	50	40	HGGB	
COc1cc(/C=N\NC(=O)CNc2ccccc2C)cc(Br)c1OC	30718993	QJIHUKDNZJJKQH-FBHDLOMBSA-N	406.280	3.337	50	40	HGGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccc(I)cc1	57617352	BTTLGKMHWRYXIG-XDHOZWIPSA-N	424.238	3.219	50	40	HGGB	
O=C(COC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1Cl	138894758	YGEHXBJQJCSDPN-UHFFFAOYSA-N	422.868	3.476	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)O	409019694	WEMRUJQKSRHIQY-NKVSQWTQSA-N	402.790	3.322	50	40	HGGB	
Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3ccncc3)cc2[N+](=O)[O-])n1	409113730	FAIHYSHYRLAZIU-NHDPSOOVSA-N	408.443	3.312	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Br)cc2)c(OC)c1	409361690	DRJHZJHTIZPEBE-CIAFOILYSA-N	406.280	3.419	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1I	668192	YESUFNSWHDKKLV-VGOFMYFVSA-N	401.185	3.025	50	40	HGGB	
COc1ccc(C2=Nc3ccc(C)cc3[C@H](c3ccccc3)N2CC(=O)NN)cc1	915506	FJBVDRPYKFVTSD-QHCPKHFHSA-N	400.482	3.477	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	6471339	CSYSQJFPFAMTTH-DEDYPNTBSA-N	415.496	3.321	50	40	HGGB	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NNC(=O)c1cc(-c2ccccc2)on1	9577673	FARWCJAUDCUCFV-CYBMUJFWSA-N	409.402	3.297	50	40	HGGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839347	UELONTUJOMQMFW-UHFFFAOYSA-N	416.264	3.278	50	40	HGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-]	59463296	OBPVVQLOIMYACT-AUEPDCJTSA-N	422.397	3.454	50	40	HGGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1	408923152	FTWBTAYJGOJYFA-CNRHGSOZSA-N	423.922	3.044	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1	409200559	IEUWTGRIDFPWCP-OYKKKHCWSA-N	420.469	3.027	50	40	HGGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1ccc2ccccc2c1	822485	WSWDZQKVUJERNX-ZVHZXABRSA-N	406.438	3.311	50	40	HGGB	
COc1ccc(C(=O)CSC2=C(C#N)C3(CCCC3)[C@@H](C#N)C(=O)N2)cc1OC	2056698	CPBJVBGPMQFXTH-AWEZNQCLSA-N	411.483	3.185	50	40	HGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc1	5408574	ZEJPQRGWOSXZIJ-SFHVURJKSA-N	404.474	3.144	50	40	HGGB	
CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl	12137592	DKRFJNFMFJSDIE-GOSISDBHSA-N	417.893	3.372	50	40	HGGB	
CC(=O)Nc1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)cc1	12851153	TWDSMIIIKAFBGG-CQSZACIVSA-N	417.893	3.073	50	40	HGGB	
CN(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccccc1	16187090	KRZDRSYSSJYBOQ-XQNSMLJCSA-N	423.494	3.250	50	40	HGGB	
Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccc(Br)cc3)c2C)c1	29463521	NEMWMZZXSIQMKM-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1Oc1ccc([N+](=O)[O-])cn1	30961019	CMDDLNSEZHFSSN-KSEXSDGBSA-N	407.386	3.340	50	40	HGGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(-c2ccccc2)cc1	96519161	AAUVZIZOFMEXJJ-HUUCEWRRSA-N	402.253	3.193	50	40	HGGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(S(N)(=O)=O)cc3)n2)c1	100839969	WCPKBTKMVRFZHH-KAMYIIQDSA-N	412.496	3.443	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc([N+](=O)[O-])c1O	108224250	UHRCUNIZLHLNKI-QGMBQPNBSA-N	416.371	3.196	50	40	HGGB	
C[C@@]12[C@H](I)[C@H]3[C@@H]4[C@@H]5C[C@@H]3[C@@H]1[C@@H]5[C@@H](I)[C@H]42	169559548	YYOJUCRKMCIPST-TWHNIESQSA-N	412.052	3.371	50	40	HGGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408801091	SQIKBAGYYOTEIG-QGOAFFKASA-N	404.422	3.430	50	40	HGGB	
O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	2675760	UQDUGQAMKMVUMR-YZSQISJMSA-N	415.449	3.176	50	40	HGGB	
COc1ccc(CNC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1	6477693	CJHDNDCQQBMJJE-LJQANCHMSA-N	421.522	3.392	50	40	HGGB	
O=C(CCl)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	9062372	WKNHVTDEGRQFOH-UHFFFAOYSA-N	401.766	3.074	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)cc1	12276332	UUXSNTLUKYRRJX-RTBURBONSA-N	408.479	3.366	50	40	HGGB	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1	12915097	WLKKYLDMVXETSL-UHFFFAOYSA-N	417.506	3.210	50	40	HGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(Oc2ccccc2)cc1	20059686	LPQRCUSGXIXYFL-UHFFFAOYSA-N	401.488	3.291	50	40	HGGB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(SC#N)c1O	409043496	RCXAAJKGOGZJHA-CHHVJCJISA-N	423.450	3.257	50	40	HGGB	
Cc1cc(I)cc(C)c1OCC(=O)N/N=C/c1cccs1	880915	CPBLMRGPXFYILG-CAOOACKPSA-N	414.268	3.499	50	40	HGGB	
CCOC(=O)c1cs/c(=N\NC(=O)c2ccccc2)n1C(=O)Nc1ccccc1	1415502	FNRGXTULADLXAQ-ATJXCDBQSA-N	410.455	3.052	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(I)ccc1O	1437669	LKMUOTARTRSWJT-DJKKODMXSA-N	424.238	3.143	50	40	HGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	12973758	APCZIJUHKDJPAV-UHFFFAOYSA-N	424.400	3.291	50	40	HGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1	23109452	YWPGTZAZJPXDSP-UHFFFAOYSA-N	403.482	3.269	50	40	HGGB	
O=C(CCC(=O)N/N=C1/CCCc2ccccc21)N/N=C1/CCCc2ccccc21	39345028	IRHJXKBEVYAYKA-ORFRIDJFSA-N	402.498	3.480	50	40	HGGB	
O=C(NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(Cl)cc1	40072508	ARKBBFSBHUFOLT-UHFFFAOYSA-N	409.755	3.014	50	40	HGGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1	690874	GQGCWWZWGPOVSS-OAQYLSRUSA-N	406.530	3.232	50	40	HGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1OC	4502761	LYQFSHNJVMWJLY-YDZHTSKRSA-N	414.458	3.188	50	40	HGGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	4600616	SJNVWLPZAFXWPA-WSDLNYQXSA-N	407.382	3.202	50	40	HGGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccccc1	6555916	SCPKKIHXGVSAKU-PXLXIMEGSA-N	411.483	3.188	50	40	HGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1Cl	9235463	REVNKOGPHQOFRN-UFFVCSGVSA-N	423.698	3.432	50	40	HGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	15013061	FCQFZPMLMLUFPI-CPNJWEJPSA-N	417.465	3.376	50	40	HGGB	
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(I)cc2)cc1	59140356	PENYRBBNOCNKBX-RGVLZGJSSA-N	419.222	3.234	50	40	HGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1O	59459732	JWCKVYUXCOXJBQ-OEAKJJBVSA-N	405.410	3.282	50	40	HGGB	
COc1cc(OC)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Br	408727904	YHQGSFCBJCBBEM-VXLYETTFSA-N	422.235	3.067	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(Cl)cc1	408779050	PWPOPFYADVFOBB-RCCKNPSSSA-N	407.923	3.263	50	40	HGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408789286	IJUVRWCSRQBJSQ-RIYZIHGNSA-N	400.818	3.446	50	40	HGGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccccc1[N+](=O)[O-]	1297189	JYKFEXCPDSZBAH-UHFFFAOYSA-N	406.442	3.280	50	40	HGGB	
Cc1cccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CCCC3=O)c1	4944739	JEGDEYKGRVWDPA-VWLOTQADSA-N	410.477	3.430	50	40	HGGB	
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl	5752185	XXIFVOHLGBURIG-OZCCCYNHSA-N	408.897	3.350	50	40	HGGB	world
CCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1	6843710	NZVNUQFXFVXQHX-NSHDSACASA-N	424.284	3.109	50	40	HGGB	
CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)CC1	12698851	MCURXCXVOHSMAV-UHFFFAOYSA-N	419.591	3.453	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	13576195	RPBIUPWKQPVMNS-DEDYPNTBSA-N	403.460	3.386	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)c(C)c1	13955363	DWNVFONLJMVKFG-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2=O)cc1	408614632	FQVFTJJVURLXKW-GOSISDBHSA-N	407.514	3.361	50	40	HGGB	
C=CCc1cccc(/C=N/NC(=O)c2ccc(I)cc2)c1O	857242	SPXJTHRYFWYXQF-YBFXNURJSA-N	406.223	3.489	50	40	HGGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1-n1cccc1	1394366	ROKFDWSMFZMNTD-UHFFFAOYSA-N	410.282	3.407	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OC	6959148	WMDBYSVJNFRVPR-AWQFTUOYSA-N	408.911	3.397	50	40	HGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(=O)Nc1cccc(C)c1	16349577	XIWGINGNUKONNU-LGJNPRDNSA-N	420.391	3.473	50	40	HGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O	16693868	JEJYYZXSZJNRFO-BOPFTXTBSA-N	404.382	3.005	50	40	HGGB	
CC/C(NNC(=O)Nc1ccccc1)=C1\C(=O)N(c2ccc(C)cc2)C(=O)N=C1O	17045837	HXSCHHYVFOLVQZ-WUKNDPDISA-N	407.430	3.409	50	40	HGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3F)c2C)cc1	58912871	XCGDIRNNOOBMQF-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
O=C(N/N=C/c1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408864199	TWEVSKKLXPCRTI-OVVQPSECSA-N	413.525	3.163	50	40	HGGB	
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21	2365220	RZEFXBGRZWOQKL-ZZEZOPTASA-N	412.474	3.489	50	40	HGGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\C=C\c1ccc(Br)cc1	4498967	XQAWEFHZLKKXEC-NWYXGYPMSA-N	412.287	3.094	50	40	HGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(I)cc2)c1	10118461	JKZMMIJJANSHNL-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1O	59920970	ASAKDNYKKZWEPD-GIJQJNRQSA-N	408.208	3.226	50	40	HGGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(=O)O)c1	408545081	YYMIHDMXRHTKDB-VBKFSLOCSA-N	401.378	3.419	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797341	RIZXRIOLNAJOLA-WUXMJOGZSA-N	401.762	3.257	50	40	HGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)c1	5156397	BBNONNBRZPMZJW-QGZVFWFLSA-N	404.426	3.321	50	40	HGGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC3CCCCC3)c2C)cc1	58911557	TXYWJFXAMCMGFP-BUVRLJJBSA-N	410.518	3.392	50	40	HGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	408534638	WFXZARJUTTYZSC-BRJLIKDPSA-N	405.376	3.288	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Br)c1OCC#N	408984169	FKSBMWWTDJGEHQ-NTUHNPAUSA-N	416.231	3.176	50	40	HGGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1	2132141	TZFVCVLOKUQARQ-UHFFFAOYSA-N	401.466	3.385	50	40	HGGB	
O=C(COc1ccc(OC(F)(F)F)cc1)NNC(=O)Nc1ccccc1Cl	2532719	HVYHWINAQOAXDN-UHFFFAOYSA-N	403.744	3.470	50	40	HGGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1ccc([N+](=O)[O-])cc1	6473612	HZYWTPBCSUVBDK-LPYMAVHISA-N	405.366	3.284	50	40	HGGB	
CCOc1cc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C	20000223	AIZDIQKRZWHYTD-SIKLNZKXSA-N	417.513	3.228	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(O)c1	20249072	RROFCIBDTGJALZ-RGVLZGJSSA-N	401.444	3.249	50	40	HGGB	
Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(C)n1-c1ccc(F)cc1	33044112	VOZSFXFLOSNPHK-WYMPLXKRSA-N	409.417	3.461	50	40	HGGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58884662	CZQSPVNZHBOJSC-GZIVZEMBSA-N	413.739	3.146	50	40	HGGB	
COc1cc(C)c(/C=N\NC(=O)COc2cccc(Br)c2)cc1OC	408549254	RLBNZAAKAWINCT-JMIUGGIZSA-N	407.264	3.304	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408937605	KAQQTSUSBGRLHL-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccccc1C(F)(F)F	408974172	WJPFZYFWCXNPGA-LSFURLLWSA-N	408.771	3.163	50	40	HGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc1	409261718	DAZWWFSXAKLROG-WSDLNYQXSA-N	417.849	3.098	50	40	HGGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@@H](c1cccnc1)C(C#N)=C(N)O3	803960	VNCRYASAEUZZRN-AWEZNQCLSA-N	401.451	3.368	50	40	HGGB	
N#CCC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	8861822	YCOPWYXMIUIGJX-UFFVCSGVSA-N	416.231	3.090	50	40	HGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O	20086710	BEZSWWFGVBWAEZ-HXPMCKFVSA-N	414.417	3.267	50	40	HGGB	
Cc1ccccc1C(=O)NNC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2	95957890	PSBXWDSITAIRAR-LJQANCHMSA-N	401.875	3.038	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2	101113313	VUBVNWRXPHTIHJ-JERLVFOGSA-N	421.975	3.205	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1	408747898	VMCWBZDSNNDGBY-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1	409228541	BIUOWDDKCGKHKD-HUCUOGIVSA-N	406.442	3.216	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@@H](Cc2ccc(O)cc2)N2Cc3ccccc3C2=O)cc1	1383726	ANUAQZZZOWURRT-OJLHXUGZSA-N	413.477	3.418	50	40	HGGB	
CCn1c(NNC(=O)CSCc2cccc(Cl)c2)nc2ccccc2c1=O	11155864	NVWPFMPKQRVXBA-UHFFFAOYSA-N	402.907	3.446	50	40	HGGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	12768998	XMBGIWCKTJCQJB-UHFFFAOYSA-N	420.513	3.036	50	40	HGGB	
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)c(F)c3F)cc2C1	12806016	LCWCTOJCGCADPF-SECBINFHSA-N	418.462	3.304	50	40	HGGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccccc2C(=O)O)C1=O	13573460	ZTIQPERUMLCNOO-KRWDZBQOSA-N	418.434	3.121	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1	17130042	LFQWAXQDERAUJP-UHFFFAOYSA-N	419.481	3.080	50	40	HGGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1c[nH]c2ccccc12	19367296	MGIFEALHEGZXOD-AFUMVMLFSA-N	409.921	3.089	50	40	HGGB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C(C#N)C=CN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1	35146803	QXAZVKPNPDQSMN-KJJMTIBFSA-N	409.445	3.014	50	40	HGGB	
COc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC)c1	107593740	LIAAHUVRRMXOKR-KOEQRZSOSA-N	404.466	3.480	50	40	HGGB	
COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)o1	409390567	FWSIIYBWDBCCIA-WYMPLXKRSA-N	402.410	3.228	50	40	HGGB	
NC(=O)N/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1	857392	RTGUMISQXZCJAR-VEMXNMSTSA-N	402.454	3.237	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccc3c(c1)OCO3)[C@H](c1cccs1)C(C#N)=C(N)O2	2257113	OXUMXJMWZQSJSB-IBGZPJMESA-N	419.462	3.213	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	4702711	WNJWGHOADFMKEN-INIZCTEOSA-N	419.312	3.243	50	40	HGGB	
COc1cc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(F)cc2)ccc1O	12276128	IWICKLBRYYZFFV-QVKFZJNVSA-N	412.442	3.183	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1C	13944010	SBYPUVKUBLIWBN-UFWORHAWSA-N	422.235	3.209	50	40	HGGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14151989	XHKYUUDXHWTRBH-SDNWHVSQSA-N	408.483	3.474	50	40	HGGB	
Cc1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)c1	101052807	VVKKUJVHRSLCGV-WUHRBBMRSA-N	401.098	3.421	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)C1C[C@H]2CC[C@H](C1)C21SCCS1	102917278	RKTXXEYCBSZDTG-IAGOWNOFSA-N	420.600	3.442	50	40	HGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1	690934	NGOGBUSMDYVELW-OAQYLSRUSA-N	422.529	3.069	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3cc(Cl)ccc31)C(C#N)=C(N)O2	994138	SMHCWLPYRGBYHS-NRFANRHFSA-N	403.829	3.159	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)[C@H]([C@H](C)Cl)S(=O)(=O)c2ccccc2)cc1	1762635	XVQJSVUGRINEGD-GUYCJALGSA-N	409.891	3.272	50	40	HGGB	
O=C(CCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1)NCc1cccs1	4599960	ZWVOFYSDDCISFW-UHFFFAOYSA-N	415.446	3.005	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccnc2)c([N+](=O)[O-])cc1OCc1ccccc1	6735523	BOOLKHCWXYGXPA-YDZHTSKRSA-N	406.398	3.341	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	8371699	ZOLXVCJYYPCRKM-FPQGOQEYSA-N	400.276	3.261	50	40	HGGB	
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(=O)O)cc2)N2NC=C(C#N)C2=N1	13569315	MIUJZVRASNQWMD-HXUWFJFHSA-N	413.437	3.287	50	40	HGGB	
C[C@@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	39757727	YZXQVEJQWNMBSM-SNVBAGLBSA-N	415.793	3.463	50	40	HGGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	2204771	AAMVWQJDIATHAC-INIZCTEOSA-N	406.269	3.328	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1OC	2309776	IZYBSZHFPRFCIQ-INIZCTEOSA-N	423.494	3.414	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1OCC	3067320	RWOOPCRKGBUVKI-ZVHZXABRSA-N	415.877	3.070	50	40	HGGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccc(F)cc3)cs2)cc1	7727109	ZEMFVCQRPHIUFN-UHFFFAOYSA-N	405.476	3.135	50	40	HGGB	
C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1	19597430	DPHPUHJLZQUHLI-QGZVFWFLSA-N	402.472	3.067	50	40	HGGB	
Cc1nc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)sc1CC(N)=O	40025079	FBAZBVAHQIJVSJ-FVKJSVPQSA-N	416.553	3.482	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(I)c1O	59419144	PODGSDYQWTZEHJ-LZYBPNLTSA-N	416.240	3.221	50	40	HGGB	
COc1ccc(C2=Nc3ccccc3[C@H](c3ccc(C)cc3)N2CC(=O)NN)cc1	97165204	SKJSFYSABXDEOE-QHCPKHFHSA-N	400.482	3.477	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccn1	5119718	ROTJSHSCYWHOAS-DEDYPNTBSA-N	400.485	3.098	50	40	HGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1OC	7208195	SXTBACUJEUOIHT-GHRIWEEISA-N	418.453	3.047	50	40	HGGB	
COc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1O[C@@H](C)C(=O)O	409237590	AEHXFHBCSRLYMX-BGHCKBSUSA-N	406.438	3.393	50	40	HGGB	
O=C(COc1ccccc1F)NNC(=O)c1cc(Br)ccc1Cl	3390948	MFYNFOQHPYEXSK-UHFFFAOYSA-N	401.619	3.082	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC#N	4559140	NMBVATKYEVLTMV-OAQYLSRUSA-N	413.437	3.310	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)c(Br)c1O	408848131	PJTOEKVEIQLATL-UITAMQMPSA-N	418.085	3.311	50	40	HGGB	
O=C(Oc1c(/C=N\NC(=O)c2ccccc2O)cccc1[N+](=O)[O-])c1ccccc1	409227363	ZOSDKLSIWDZWMY-XKZIYDEJSA-N	405.366	3.284	50	40	HGGB	
N#C/C(C(=O)NC1CCCC1)=C1/N=C(NC(=O)c2ccccc2F)c2ccccc21	5268773	NMEISNMQLXEWDV-ZZEZOPTASA-N	402.429	3.309	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1	5380237	VWHFDXSUJLFUNH-XQNSMLJCSA-N	407.495	3.341	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc(OC)c1OC	6189195	JAARIDSXWAIJOK-ZMOGYAJESA-N	422.485	3.338	50	40	HGGB	
O=C(COc1ccccc1F)NNC(=O)CSc1cc(Cl)ccc1Cl	6786723	SOAVWKQWIQEIQS-UHFFFAOYSA-N	403.262	3.451	50	40	HGGB	
COc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1	12275707	CUZYVXMUZUSRDG-PGRDOPGGSA-N	408.479	3.347	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)Nc2cc(Cl)ccc2OC)cc1	104813350	PZJYVAGHTCAMSJ-YDZHTSKRSA-N	419.865	3.257	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)c1	1086931	HEBTYGFMJUZJRE-CIAFOILYSA-N	413.275	3.466	50	40	HGGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cc(C)ccc2C)S(C)(=O)=O)cc1	5541852	IFBJHHGCPSPHQG-JMMZKRSASA-N	417.531	3.007	50	40	HGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1cccc(Br)c1	12800917	IBBKXLSPCKQDCC-UHFFFAOYSA-N	419.300	3.155	50	40	HGGB	
O=C(NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)Nc1ccc([N+](=O)[O-])cc1	13323969	DACQONFKFCFKIX-UHFFFAOYSA-N	416.287	3.298	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	37866385	KXAMPBUHODBGSN-SSDVNMTOSA-N	408.370	3.260	50	40	HGGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1	409247163	GQUXSUIWTKPFMC-LPYMAVHISA-N	413.547	3.335	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3C)n2C)o1	2760904	NHTWKOCVEHXGAL-XHADFYDMSA-N	412.519	3.268	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1	4453445	TYZOVZFAIFWAMM-HKUYNNGSSA-N	419.460	3.486	50	40	HGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OC(C)C)c(OC)c3)[C@@H]2C1	19816413	JNVTYUPAKPLUSW-DENIHFKCSA-N	417.513	3.228	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1C	20209735	PPMKSMOEKKNVOP-SRZZPIQSSA-N	407.923	3.182	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O	36162604	MOVTZJHFCHUEAT-SRZZPIQSSA-N	401.419	3.136	50	40	HGGB	
O=C(NNS(=O)(=O)c1cccc2ncccc12)c1cc2c(s1)CCCCC2	89807741	CINCPQDLSKLRMD-UHFFFAOYSA-N	401.513	3.189	50	40	HGGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccccc1I	408550649	IRDYIFWYJQMROS-NVMNQCDNSA-N	414.630	3.474	50	40	HGGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccccc2)c1	408845995	XBWLIKPLYOSCPE-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)cc(N(CCCl)CCCl)c1	712734	GYXKQVKLKXTQPF-QGZVFWFLSA-N	414.333	3.470	50	40	HGGB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccnc2)cc1	3023125	CXEIQGMUYCZREV-KLJWOBRGSA-N	413.481	3.069	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)C(=O)Nc1ccccc1	4723214	DKPHWDHJUHWHPC-MDWZMJQESA-N	401.216	3.458	50	40	HGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	4738876	VDXIHHZNEJOEFY-SSDVNMTOSA-N	404.850	3.200	50	40	HGGB	
CCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2cc(Br)ccc21	5791761	PVUTYLQMVCQIMP-PYCFMQQDSA-N	416.275	3.023	50	40	HGGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)c1	6207030	IPQOUSBAQHXVJT-UHFFFAOYSA-N	417.421	3.051	50	40	HGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1O	8569223	WRUADZCKGKNEQG-SFHVURJKSA-N	418.409	3.128	50	40	HGGB	
CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(F)c(F)c3F)cc2C1	12806018	LCWCTOJCGCADPF-VIFPVBQESA-N	418.462	3.304	50	40	HGGB	
O=C(COc1ccc2ccccc2n1)N/N=C/c1ccc(O)c(Br)c1	18193259	XOVHQZBNJOXLIJ-KEBDBYFISA-N	400.232	3.232	50	40	HGGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(C(=O)O)c1	35253538	UVBAHWDKZZJSKP-UUILKARUSA-N	415.199	3.422	50	40	HGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1	58924992	ORIDQFKQVIZOBG-CIAFOILYSA-N	423.922	3.044	50	40	HGGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc1OC	216042970	QKEKCLNETUFBSG-KSEXSDGBSA-N	418.877	3.210	50	40	HGGB	
COC(=O)COc1ccccc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408904581	LRYOKMUDCIYPHG-JMIUGGIZSA-N	420.263	3.465	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	409362343	UYQUFQWCVWJYCK-FOKLQQMPSA-N	407.426	3.005	50	40	HGGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1	671342	LMLFDTMNYFYZBP-UHFFFAOYSA-N	405.454	3.418	50	40	HGGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(I)o1	704578	MYIUNDGRBXJPGW-FRKPEAEDSA-N	404.591	3.067	50	40	HGGB	
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C/c1ccccc1F	958348	GBYISBDFUISWAC-BHGWPJFGSA-N	406.442	3.414	50	40	HGGB	
C/C(=N/NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1ccccc1	4909056	MYLCYHCAQWYJFV-BKUYFWCQSA-N	414.512	3.406	50	40	HGGB	
Cn1nc(C2CC2)c2c(C(=O)NNC(=S)Nc3ccccc3)cc(C3CC3)nc21	17087427	ZSCIVMYWLMFAPJ-UHFFFAOYSA-N	406.515	3.355	50	40	HGGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1	38161717	XLJQDCHGTVOFCX-IEKMCCSYSA-N	405.376	3.217	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1cccc(C(=O)O)c1	59248303	VHWHPJIYYXMYKE-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
Cc1ccc2nc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)sc2c1	408677283	BMRDWDUCTRGNIG-IZIREBJPSA-N	407.289	3.114	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408852541	HHWQCJBWTLKFOI-BHGWPJFGSA-N	423.400	3.394	50	40	HGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1C	3367017	LDZVICUNYFNUMS-VXLYETTFSA-N	423.469	3.010	50	40	HGGB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12	253389712	YOWISNGQSRPIPP-PIMJCVPXSA-N	402.487	3.374	50	40	HGGB	biogenic,in-vitro
C#CCOc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OCC	409366917	XJKFKLDZWWIMDA-WYMPLXKRSA-N	403.841	3.452	50	40	HGGB	
COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](NNC(=O)c3ccccc3)C2)cc1	5320751	XOSSJMWQQAXYGQ-JOCHJYFZSA-N	414.465	3.206	50	40	HGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c(Br)c1	20100997	RTXBCTMMAREZLV-UWVJOHFNSA-N	422.235	3.209	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C	32109706	ALYKYHNESVLXCU-QFEZKATASA-N	418.453	3.180	50	40	HGGB	
Cc1occc1C(=O)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21	102455846	WQMOXNWUWWXLPC-ZBJSNUHESA-N	404.382	3.177	50	40	HGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	408935551	GACDBWGMNRBNKO-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
COc1cccc(/C=N/NC(=O)c2ccncc2)c1OCc1ccc(C(=O)O)cc1	409186894	JECKVQWTPZWXAN-ZMOGYAJESA-N	405.410	3.131	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1	2320711	CCBBDPVISVEDGX-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(I)c2)c1	3152778	BZERMIFKCNFTOJ-VCHYOVAHSA-N	407.211	3.014	50	40	HGGB	
O=C(NNC(=O)c1ccccc1O)c1cc(Br)c(Br)s1	8881600	QHQSMAOCWUJTCM-UHFFFAOYSA-N	420.082	3.054	50	40	HGGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	12735681	ABDFGJIPHYJXAZ-LBPRGKRZSA-N	403.435	3.008	50	40	HGGB	
COc1cc(OC)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	35151497	PURVRIDRQBCMLB-GRSHGNNSSA-N	422.235	3.067	50	40	HGGB	
CCOc1cc(C(=O)N/N=C(\C)c2c(O)cc(C)oc2=O)cc(OCC)c1OCC	102236600	DMYGGIBHGBVIHB-LPYMAVHISA-N	418.446	3.004	50	40	HGGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	408867314	JOVSRYRZDFQEPC-UHFFFAOYSA-N	414.531	3.493	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	4102983	QOWGMCXQCWRTDH-RDJZCZTQSA-N	407.499	3.409	50	40	HGGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(C)c1	6607263	LRHCBXXNFGYYTC-YDZHTSKRSA-N	415.559	3.338	50	40	HGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccccc1F	16491156	OMTRFTMLRAWJLW-HAHDFKILSA-N	417.506	3.299	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1cc(C)cc(C)c1	408707649	LJKXGDPBXXPCNX-UFFVCSGVSA-N	403.280	3.006	50	40	HGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC)c(OC)c1)c1ccccc1	408977472	DPFQPYZHXSDNMV-FSTGKYBXSA-N	413.474	3.422	50	40	HGGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)NCc1ccco1	408991403	NUIMYZWXYBKMGQ-SDNWHVSQSA-N	418.438	3.223	50	40	HGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1cccc(Cl)c1	409097767	JHGOSXNEVIYFLV-QRVIBDJDSA-N	417.893	3.487	50	40	HGGB	
O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)Nc2ccc(Br)cc21	1054894	XCUHHIUASVVUTK-UHFFFAOYSA-N	423.270	3.487	50	40	HGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\n2c(S)nc3ccc([N+](=O)[O-])cc32)cc1	1637530	HLCWREVIEUFLOW-UVTDQMKNSA-N	400.441	3.338	50	40	HGGB	
N#C/C(C(=O)NCc1ccco1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21	2209727	IORYBORJLIUGDA-VLGSPTGOSA-N	402.435	3.082	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1	8733079	VUFQRHFNJATWNR-HNNXBMFYSA-N	413.312	3.118	50	40	HGGB	
COc1c(/C=N/NC(=O)c2ccccc2)c(C[C@@H](C)Cl)c(OC)c2c1OCO2	15086103	XDSGLRDFGAAGTO-OWGFIJSYSA-N	404.850	3.366	50	40	HGGB	
N#CCn1cc(/C=N\NC(=O)COc2cccc(Br)c2)c2ccccc21	107630307	GOVZVWJLSRWDMP-JJFYIABZSA-N	411.259	3.456	50	40	HGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(OC)c2)cc1	408712097	ZJLSOVVKBDVORV-JAIQZWGSSA-N	407.264	3.255	50	40	HGGB	
C[C@H](S[C@@H](C)C(=O)N/N=C/c1cccc(F)c1)C(=O)N/N=C/c1cccc(F)c1	1690499	FWGNXZBVSQOWTR-CYKDIAAXSA-N	418.469	3.075	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1	4664466	OJEBPENDPGTLCB-BUVRLJJBSA-N	412.486	3.419	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(NC3CCCCC3)s2)cc1	8072074	QQKWGXNHAJNGDQ-UHFFFAOYSA-N	405.549	3.144	50	40	HGGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1OC	12276321	NHEKHACVOXRXGW-RBUKOAKNSA-N	408.479	3.366	50	40	HGGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)cc1	408737495	SICVVJGPSLRGRQ-XQNSMLJCSA-N	408.479	3.456	50	40	HGGB	
COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1O[C@H](C)C(=O)O	409009414	FLSVJVPQGJQXBS-SKBUGYKVSA-N	424.375	3.259	50	40	HGGB	
COC(=O)Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	818723	LVFJZGSAWHZRDQ-HXUWFJFHSA-N	405.454	3.265	50	40	HGGB	
CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)[C@@H](C)Cl)scc12	4121252	LPLIJPZRVNNUFA-SNVBAGLBSA-N	405.863	3.190	50	40	HGGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1	4505173	VKNWRMNATOZRAG-JKSUJKDBSA-N	406.442	3.468	50	40	HGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8339262	DYXWCXYKSHBIFE-WSDLNYQXSA-N	402.834	3.142	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)ccc1O	16688780	UWSFMHFTTKZTIF-AWQFTUOYSA-N	417.263	3.273	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1O	408567932	GYNLULVKIDCVHJ-RGVLZGJSSA-N	404.513	3.409	50	40	HGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21	409340832	AZUJWLQWMXQBLU-BRJLIKDPSA-N	410.449	3.214	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc([N+](=O)[O-])c2)n1	6964281	IGFSSWRESVEESP-RGVLZGJSSA-N	410.459	3.035	50	40	HGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2c2cccs2)cc1	7216159	PMSRTOCEHQKPKO-GOSISDBHSA-N	400.548	3.192	50	40	HGGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	12404002	SENFFQDQXOMJNG-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
CC(/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)=C\c1ccco1	19861418	YMRIBNXEMXVAIW-PPNJIUILSA-N	400.910	3.256	50	40	HGGB	
CN1CCC(=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1	58444944	ZQYKXUNEGNEVHE-UHFFFAOYSA-N	420.542	3.224	50	40	HGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OC	408954560	RJRLTCZEUXJECQ-YVLHZVERSA-N	405.454	3.460	50	40	HGGB	
COc1cc(C=NNC(N)=O)cc(Br)c1OCCOc1cccc(C)c1	4207636	OXVXUOXETMWBGD-UHFFFAOYSA-N	422.279	3.226	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c(OC)c1	9986132	DQRBAMAYRQIGLZ-SFHVURJKSA-N	418.409	3.041	50	40	HGGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1	28215449	NGMMIAKAGNCMKI-OEAKJJBVSA-N	418.409	3.376	50	40	HGGB	
NNC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1	57054056	SZWFOXJMXQEGLC-NRFANRHFSA-N	408.889	3.261	50	40	HGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	102083093	AKNVWNUHZKSLBL-BIPCEHGGSA-N	404.378	3.126	50	40	HGGB	
C/C(NNC(=O)c1ccncc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112286973	HOXTYAULKXCINM-HKWRFOASSA-N	415.428	3.180	50	40	HGGB	
C[Si](C)(CI)O[Si](C)(C)CI	195759550	AYFZKJFGMZOAKS-UHFFFAOYSA-N	414.173	3.362	50	40	HGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1	409373608	WJLWEAHHWWZDPG-YBFXNURJSA-N	402.204	3.133	50	40	HGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	831381	GGHOKIUNGIOUSE-QGMBQPNBSA-N	402.208	3.077	50	40	HGGB	
O=C(CCSCCC(=O)N/N=C/c1ccccc1F)N/N=C\c1ccccc1F	4722836	JKCOZIOLZLVWSD-NQGGHMMCSA-N	418.469	3.079	50	40	HGGB	
Cc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccnc3)c3ccccc32)cc1	10233010	VGSNKOYKXDNZDP-DQRAZIAOSA-N	421.460	3.131	50	40	HGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1cccs1	16491182	HVSBNDKYIYQQTN-ZHZULCJRSA-N	405.545	3.222	50	40	HGGB	
CCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1	19682691	AXDGHJPLWSLHGJ-BUVRLJJBSA-N	414.937	3.007	50	40	HGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444722	GTIVYCVBCJRLBL-ZMOGYAJESA-N	417.421	3.083	50	40	HGGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408608917	QKENSXLOOXTQCR-FOKLQQMPSA-N	406.269	3.325	50	40	HGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408763342	PEGDERDSPBIXIL-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3	891980	OIHQTPWHPSLCJH-GOSISDBHSA-N	409.829	3.474	50	40	HGGB	
CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	1643507	PHQSQVFTGWZWKF-CQSZACIVSA-N	410.423	3.125	50	40	HGGB	
CCOC(=O)c1cnc(C(F)(F)F)nc1NNC(=O)c1cc(Cl)nc(Cl)c1	2158645	YNKBTWHNRIHMNB-UHFFFAOYSA-N	424.166	3.131	50	40	HGGB	
C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc(S(=O)(=O)Nc2ncccn2)cc1	4809266	IQRJSDHZWNQVLX-BETUJISGSA-N	403.335	3.338	50	40	HGGB	
O=C1/C(=C/Cc2ccccc2)SC2=[N+]1C[C@@H](CI)S2	33374169	VRXLRXCJCGVXLN-HBZGRHIISA-N	402.302	3.305	50	40	HGGB	
Cc1csc(CC(=O)NNC(=O)CN[C@@H](c2ccc(CC(C)C)cc2)C(C)C)n1	96126354	BDETVSOGRKJGMH-JOCHJYFZSA-N	416.591	3.327	50	40	HGGB	
NC(=O)[C@@H]1CC(C(=O)NN(c2ccccc2)c2ccccc2)=NN1c1ccc(F)cc1	225502106	VYTORBPHOYHGEK-NRFANRHFSA-N	417.444	3.115	50	40	HGGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Cl)c(Cl)c3)CC2=O)cc1	408615284	OIVLDMREIFCLAN-ZDUSSCGKSA-N	406.269	3.116	50	40	HGGB	
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408680030	FWUIIRHHVGEACB-GRRRKWKPSA-N	404.182	3.215	50	40	HGGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(O)c(I)c1	408965931	XSFJOHNUOYHSGZ-MFOYZWKCSA-N	411.199	3.161	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(I)c1O	408981063	YQIDDYZKWITYFN-LFYBBSHMSA-N	423.210	3.066	50	40	HGGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1	6355284	OENWBSWFNRSHCS-LJQANCHMSA-N	421.522	3.474	50	40	HGGB	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	6508103	LANFKQNZZKPGNV-UHFFFAOYSA-N	403.467	3.204	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC	10476113	ZOUVDVNEVNBHEM-VCHYOVAHSA-N	410.211	3.072	50	40	HGGB	
COc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(OC)cc2)cc1	12275711	CUZYVXMUZUSRDG-XMSQKQJNSA-N	408.479	3.347	50	40	HGGB	
O=C(/C=C\c1ccccc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839355	DCYSRXLLJZPFAB-WQLSENKSSA-N	407.857	3.024	50	40	HGGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1C	408591233	SFKSWFDAODSCAF-GWJNGDFSSA-N	406.442	3.494	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	408885150	XXUVIBUKCUNKPT-RIYZIHGNSA-N	420.874	3.207	50	40	HGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)cc2O)cc1	409001275	HLONEWFCPBIWES-YDZHTSKRSA-N	405.410	3.123	50	40	HGGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	409368946	UGHQQNFKRSCICO-NBVRZTHBSA-N	405.454	3.242	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccccc1C	1093236	QPRHGUHXHIOSLL-AFUMVMLFSA-N	418.453	3.180	50	40	HGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)c(OCC)c1	5095411	RQOQLOSTFXAVJQ-GOSISDBHSA-N	403.442	3.487	50	40	HGGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1n[nH]c(N)c1C#N	16383261	RDGUFQKTEPBEFR-LREOWRDNSA-N	409.041	3.158	50	40	HGGB	
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cccc(C)c2)cc1	20059085	OSLSTCPVNYWBEV-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1F	20494648	DVOAUJSABFVISG-FSJBWODESA-N	422.372	3.456	50	40	HGGB	
O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	36035137	KKJVASPTQNHEON-NLRVBDNBSA-N	414.509	3.478	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(F)cc1	58918989	DZEIIOIFGPGDQU-HZHRSRAPSA-N	413.474	3.285	50	40	HGGB	
O=C(COc1ccccc1)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21	102434325	WCBYBKWLOYXENW-RWEWTDSWSA-N	415.449	3.012	50	40	HGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1	408692304	JMCONLAKLBFXDL-DNTJNYDQSA-N	412.671	3.379	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N/N=C/c2ccccc2C)cc1	408756580	WIXAECAHLHSAJG-YRXLECQKSA-N	401.532	3.147	50	40	HGGB	
COC(=O)COc1cccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)c1	408862954	NVQMRETUTJBOBM-SSDVNMTOSA-N	400.500	3.239	50	40	HGGB	
Cc1cc(C(=O)NNC(=O)c2cc(-c3cccnc3)on2)c(C)n1-c1ccccc1	40143559	LPPOIDCARHPVOL-UHFFFAOYSA-N	401.426	3.219	50	40	HGGB	
Cc1ccc(CSCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	59473770	YLHYNWBIQUQZKP-UHFFFAOYSA-N	418.316	3.463	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1	408724738	HEHSEDDZBDZBOH-UFFVCSGVSA-N	409.354	3.356	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)N(c1ccccc1)S(C)(=O)=O	408924570	KBUCOTDLPIIPGH-DTVDJLOLSA-N	421.522	3.243	50	40	HGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC	3140106	SKLDMRNLFYKLRK-RGVLZGJSSA-N	407.264	3.386	50	40	HGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1	8424729	TZDXLQYBVHDLNK-VOTSOKGWSA-N	417.237	3.135	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2cc(O)c(Br)cc2Br)cn1	30803073	WITWPGNINZRPFM-WSVATBPTSA-N	413.069	3.385	50	40	HGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1	408793175	DHPGHFSXCNCUQU-MDWZMJQESA-N	401.216	3.487	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1ccccc1C	2195120	FQMPGFIDPKDLOW-WDUNQMNWSA-N	407.495	3.176	50	40	HGGB	
CC(C)N1C(=O)/C(=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	5690196	VFZCREBCBNYREL-RELWKKBWSA-N	400.276	3.267	50	40	HGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2Br)oc2ccccc12	7380432	MCKZNBSCRSPPOK-UHFFFAOYSA-N	409.261	3.127	50	40	HGGB	
CCOC(=O)c1csc(-n2nc(-c3ccc(OC)cc3)cc2NC(=O)CCl)n1	16956862	ZSWZQNHDNYABDP-UHFFFAOYSA-N	420.878	3.358	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(CC)cc3)[C@H]2C1	19816346	WVUISOZSNLXKEM-VQTJNVASSA-N	401.470	3.131	50	40	HGGB	
O=C1c2c(sc3c2CCCC3)N[C@@H]2S[C@H](CI)CN12	26895263	YIHAABDNQBXSEX-UHLUBPPHSA-N	406.314	3.329	50	40	HGGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C\c1ccc(Cl)cc1	33347163	NVRVOOWVYASCBM-AFPJDJCSSA-N	400.891	3.141	50	40	HGGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1	33904388	RGZDXTUNHSKQNB-MJGOQNOKSA-N	422.876	3.384	50	40	HGGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1S(=O)(=O)N(CC)c1ccccc12	57510561	BANIYPIMVPURTC-IBGZPJMESA-N	423.494	3.431	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1OC	59515551	GSJNHKJLGLQZNO-WSDLNYQXSA-N	401.850	3.311	50	40	HGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)c(Br)c1	6221887	GCDCAVYLGZQFII-CAOOACKPSA-N	410.249	3.305	50	40	HGGB	
COc1ccc(C=NNC(=O)c2ccncc2)cc1COc1ccc(NC(C)=O)cc1	15979573	RLTWKIYZXUSXFC-UHFFFAOYSA-N	418.453	3.392	50	40	HGGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)cn1	30803075	DRYBLCAMZSQUPJ-MYKKPKGFSA-N	403.394	3.102	50	40	HGGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1OCc1c(C)noc1C	32971040	IOVJQBWMAVDQIH-UHFFFAOYSA-N	409.442	3.019	50	40	HGGB	
C#CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br	107932018	GXIMCSFNQKVFBS-NDENLUEZSA-N	416.231	3.062	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccc(F)cc1	408793660	GAHLJFJIYDLFMM-RKCQOLGWSA-N	423.444	3.045	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(F)cc1	408972792	VMVIIJLXHRCRSY-CVKSISIWSA-N	406.461	3.042	50	40	HGGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c2ccccc21	5014761	JESPUYXETHIAND-QGOAFFKASA-N	416.481	3.258	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCC(=O)O	8207107	XOPUOGDGURYYNL-FSJBWODESA-N	408.410	3.084	50	40	HGGB	
N#CCC(=O)N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	30814027	URGODRBTLTVMDG-JMIUGGIZSA-N	417.219	3.300	50	40	HGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	408908348	RMXBDTRLAOXPEC-VYVDHXHBSA-N	418.291	3.257	50	40	HGGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)NC1CCCCC1	2551959	KVGVMJIVNSGZEA-UHFFFAOYSA-N	401.294	3.375	50	40	HGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)/C(=C\c1cccs1)NC(=O)c1ccccc1	4694208	PYMCYSAQRFPLAG-LOXJZLIVSA-N	410.411	3.171	50	40	HGGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	7928173	CYUQIXIDHJHHJD-QGZVFWFLSA-N	413.905	3.279	50	40	HGGB	
Cc1ccccc1SCC(=O)NNC(=O)[C@H](C)Nc1nc2ccccc2s1	10667176	GDGSXUJQGRKLPD-ZDUSSCGKSA-N	400.529	3.345	50	40	HGGB	
COc1c(/C=N/NC(=O)Cc2ccccc2)c(C[C@H](C)Cl)c(OC)c2c1OCO2	15085463	LQCGQXJHMNEEBE-HKNSOBRKSA-N	418.877	3.295	50	40	HGGB	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1)SC[C@@H]2CI	16478115	SCNUPPUCTAXSJM-SMDDNHRTSA-N	420.279	3.065	50	40	HGGB	
O=C(CCCl)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	39767028	QMEWRTDTOPDPJM-UHFFFAOYSA-N	415.793	3.465	50	40	HGGB	
NC(=O)N/N=C(\C(=S)Nc1ccc(I)cc1)c1ccccc1	68572219	KWKXATOPQGNGHX-UYRXBGFRSA-N	424.267	3.103	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4157181	VOPIJSAHMVYJFN-DVAYIVIVSA-N	413.109	3.277	50	40	HGGB	
Cc1cc(NC(=O)CCCCl)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1	9845528	YWUSMXCTBNGMME-UHFFFAOYSA-N	413.844	3.406	50	40	HGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1Br	9972332	UGBANNUNTLUOPH-DJKKODMXSA-N	422.235	3.203	50	40	HGGB	
CSc1nccn1-c1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1	40135753	HQUPTQCRWSDWBH-UHFFFAOYSA-N	403.467	3.217	50	40	HGGB	
CC1(C)CC(=O)C/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1	105860575	CNGXKMXOQLYLBY-DEDYPNTBSA-N	419.528	3.414	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@@H]2C1	1754252	AXBUSRSBMAXMBL-MOPGFXCFSA-N	419.510	3.290	50	40	HGGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Br)cc1	5891759	BUVXSKLZCHQEQD-UHFFFAOYSA-N	401.182	3.472	50	40	HGGB	
CC1(C)C(C#N)=C(SCc2cc3c(cc2Br)OCO3)NC(=O)[C@H]1C#N	9114527	MTDGDLQBMAOLFC-SNVBAGLBSA-N	420.288	3.442	50	40	HGGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2c(C)nn1-c1ccc(C)cc1	17143831	YHVFPRZECDLYMA-UHFFFAOYSA-N	407.474	3.066	50	40	HGGB	
CC(=O)N[C@H](CC(=O)NNC(=O)CSc1ccc(C)cc1)c1ccc(Cl)cc1	22978330	DQXHOYWFIWOFNB-GOSISDBHSA-N	419.934	3.155	50	40	HGGB	
N#CC(=C=N)C1=C(C#N)[C@H](c2ccc(Cl)cc2)[C@H]([n+]2ccccc2)[C@@](O)(C2CC2)N1	34903621	TULILSRMXDGPNB-PMVMPFDFSA-N	416.892	3.130	50	40	HGGB	
COc1cc(C(=O)NN)cc(Br)c1OC(=O)c1cccc2ccccc12	226364728	LNGRMJQIOURCBM-UHFFFAOYSA-N	415.243	3.434	50	40	HGGB	
C[C@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)S(C)(=O)=O	408906583	HWFFMMLQUIMAHS-ZICWZVMQSA-N	414.314	3.298	50	40	HGGB	
CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3F)cs2)cc1	7727114	FQKBWILGRPKXDT-UHFFFAOYSA-N	405.476	3.135	50	40	HGGB	
CN(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1	8042714	XFVZBXUECDOXBJ-LPYMAVHISA-N	415.902	3.264	50	40	HGGB	
CN(C)c1cccc(C(=O)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1	12527866	WNIZEFULVXGJKA-UHFFFAOYSA-N	414.462	3.002	50	40	HGGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1	30809148	MQKQCDYRICXGGH-FBHDLOMBSA-N	423.337	3.015	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1O	943545	WTMQOSMACKIZTC-QDBSGRMGSA-N	407.264	3.389	50	40	HGGB	
C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2128453	TUAGWFBGIWOLKG-LJQANCHMSA-N	410.813	3.307	50	40	HGGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1	4354956	CMMYOEISGOFTIF-MSOLQXFVSA-N	407.861	3.222	50	40	HGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1	6166336	BJJQWBHDYKGPPS-ICJUELJFSA-N	424.526	3.303	50	40	HGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	6228665	VEBDZCWFXZHKNQ-KEBDBYFISA-N	413.411	3.125	50	40	HGGB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	408646628	VWNPBNPBLBNPGW-GFCCVEGCSA-N	406.269	3.116	50	40	HGGB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1	409005166	CVWJWDURFLSNEQ-UFFVCSGVSA-N	423.337	3.015	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Br)c1O	409391675	KPKUGTFUUVERBS-DJKKODMXSA-N	409.236	3.032	50	40	HGGB	
CNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(C)cc1	934913	BUMDTZKOJZJCEV-QUWSGOTNSA-N	422.466	3.076	50	40	HGGB	
C/C(=N/NC(=O)COc1ccc(Cl)cc1Br)c1cc(O)ccc1O	17201745	NLAYADPNGZZYDE-OCKHKDLRSA-N	413.655	3.433	50	40	HGGB	
C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	22873513	HURYMDXXXRVWBN-JSGCOSHPSA-N	407.580	3.211	50	40	HGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	96663602	ODWLQCXWOMYFNW-SXGWCWSVSA-N	420.425	3.359	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100550272	VOPIJSAHMVYJFN-VYEAZLRYSA-N	413.109	3.277	50	40	HGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	408840387	BCFDOEBHGPSIMB-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCC(=O)Nc1ccc(C)cc1	409020801	TZVXSFGAIKNVKR-YDZHTSKRSA-N	407.426	3.378	50	40	HGGB	
COc1cccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1O[C@@H](C)C(=O)O	409245290	QLSQUKGEICLKLH-DZIKBWIISA-N	407.426	3.102	50	40	HGGB	
CCCCCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(=O)c2ccccc21	2290790	XPLVYJAXUVVTPH-ZVHZXABRSA-N	423.469	3.375	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1	3089154	HQAYIERWDKVANU-OEAKJJBVSA-N	424.457	3.073	50	40	HGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1OC(C)=O	6014825	UGQMBVGCVDEQFU-INIZCTEOSA-N	408.439	3.290	50	40	HGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cccc([N+](=O)[O-])c1O	409092667	XMRLLPLICHTLBN-AWQFTUOYSA-N	414.305	3.372	50	40	HGGB	
C[C@@H](NC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	4700388	OLKIEJYQETVXPW-CYBMUJFWSA-N	407.392	3.124	50	40	HGGB	
COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)c1	4940291	VUFPBPYNJLYEAC-PCLIKHOPSA-N	410.474	3.080	50	40	HGGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)CNc1ccccc1	6297606	ACOAKEXWMFHRFD-PCLIKHOPSA-N	402.502	3.343	50	40	HGGB	
CCOC(=O)COc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1	9204382	VMJJWYHWDXIXJG-CIAFOILYSA-N	419.275	3.084	50	40	HGGB	
CC[C@H]1CCc2sc(C(=O)OCC(=O)NNC(=O)c3ccc(C)cc3)cc2C1	9718267	ZEVJXEDKDRFAIT-AWEZNQCLSA-N	400.500	3.189	50	40	HGGB	
CCOc1ccccc1/C=N\NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3	31854654	LJRQUJHDAKXHOB-DBJNPDTESA-N	424.526	3.132	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc(OC)c1OC	225369128	QYNIVFPMGIIPIH-KSEXSDGBSA-N	412.442	3.028	50	40	HGGB	
NC(=O)N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1	857390	RTGUMISQXZCJAR-GDQCRLHRSA-N	402.454	3.237	50	40	HGGB	
CCCc1nc(SCC(=O)NNC(=O)c2ccc(OC)cc2)c2ccccc2n1	1342756	IMJYWUVLQTYIEI-UHFFFAOYSA-N	410.499	3.144	50	40	HGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	13602923	ZCYUIYAFDOHEKE-QPJQQBGISA-N	413.739	3.176	50	40	HGGB	
CCSc1ncc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1	27991266	YJJJKPLQVBYQAM-UHFFFAOYSA-N	415.700	3.079	50	40	HGGB	
CCc1c(C(=O)NNc2nc3ccccc3c(=O)n2CC)cnn1-c1ccc(C)cc1	29860933	NUBFWARIHVISQQ-UHFFFAOYSA-N	416.485	3.230	50	40	HGGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/C[C@@H]4CC=C[C@@H]34)c2)cc1	35604136	SCTNEGOSXZHFPX-NOPNPAKSSA-N	411.483	3.178	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(F)cc1	408778105	AYULLPFPNUVRIV-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)ccc1OCC(=O)N1CCCC1	409154874	LAYVXOHJXWRYMM-LDADJPATSA-N	420.469	3.027	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(N)=O	409220113	UKHZQUMPYWBVTL-WUXMJOGZSA-N	420.252	3.412	50	40	HGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc(OC)c1O	726947	INTMXBMRUKPZGQ-AWQFTUOYSA-N	423.263	3.009	50	40	HGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	840429	JUFDPUROCDIAOI-JTQLQIEISA-N	412.229	3.059	50	40	HGGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	8245305	WZMGDLUOWYIZDW-ZDUSSCGKSA-N	417.437	3.401	50	40	HGGB	
O=C(CCl)Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1	13371520	XRHCEPNVWWYFIQ-UHFFFAOYSA-N	414.723	3.039	50	40	HGGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1)c1ccccc1	28214914	UYRDLSUJJAFPAP-NFXIUMSZSA-N	402.454	3.102	50	40	HGGB	
CCS(=O)(=O)[C@H](I)[C@H](O)c1ccc(Cl)cc1Cl	96519284	CFLIIXCMRJYUSK-ZJUUUORDSA-N	409.072	3.223	50	40	HGGB	
C[C@@H](CBr)[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	253394017	ODBKDMBZQPUAAM-HJPIVEBKSA-N	411.360	3.229	50	40	HGGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	409247902	DUEMVLVVPSVMLD-UCQKPKSFSA-N	418.409	3.376	50	40	HGGB	
CCOc1ccc(OCCCC(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1	3332002	BFDAAXOVJHYLEE-UHFFFAOYSA-N	424.501	3.384	50	40	HGGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	4132738	UVECBKARNZFLFI-UHFFFAOYSA-N	416.393	3.113	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1	16348952	ZYDUCBUENQOZMN-XQNSMLJCSA-N	413.543	3.469	50	40	HGGB	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)c1ccccc1	21287555	JHNIXXLDQCNWHW-LLVKDONJSA-N	410.352	3.265	50	40	HGGB	
C[C@H](Cl)C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	39757726	YZXQVEJQWNMBSM-JTQLQIEISA-N	415.793	3.463	50	40	HGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)NCC(C)C)cc2)c1	223170619	KSWOROGSQCBTAJ-WQRHYEAKSA-N	407.470	3.392	50	40	HGGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(C)(=O)=O	408773697	IUTHEBSZSBCCNH-LPYMAVHISA-N	417.531	3.043	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(N3CCCC3)o2)cc1	408823604	NZNKOKJITCJCFI-JAIQZWGSSA-N	422.279	3.180	50	40	HGGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)n1	408992444	SABINRMMCPPRJR-RVDMUPIBSA-N	417.454	3.467	50	40	HGGB	
C=CCc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)c1O	667830	YAUYUFMPMBGFKL-LPYMAVHISA-N	405.414	3.038	50	40	HGGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3Cl)CC2)cc1	1436584	JMTRTNGNUNJMPB-HYARGMPZSA-N	419.934	3.199	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(I)c1O	3148183	YLAOJNRJKXJEPK-YBFXNURJSA-N	424.238	3.088	50	40	HGGB	
Cc1cccc(COc2ccccc2C(=O)OCC(=O)NNC(=O)c2ccccc2)c1	5678948	XTJHHTBOSYXCPS-UHFFFAOYSA-N	418.449	3.192	50	40	HGGB	
O=C(N/N=C/c1ccccc1Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	5897815	MEYPOAUNHFIPTC-KKJJZKEWSA-N	400.822	3.003	50	40	HGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1	6209231	VYFRFBDVDRTIKD-LFIBNONCSA-N	401.440	3.241	50	40	HGGB	
CC1(CC(=O)N/N=C/c2ccccc2I)SCCS1	6348165	LQUVUGVUGKIZQJ-OQLLNIDSSA-N	406.314	3.328	50	40	HGGB	
CCOc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(C)C	8198427	KITVMTVLVITJDC-UHFFFAOYSA-N	401.419	3.103	50	40	HGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	8767607	PIITVKFCMMLJDB-NTCAYCPXSA-N	423.450	3.148	50	40	HGGB	
C[C@H]1CCc2[nH]c3ccc(C(=O)O[C@H](C)C(=O)NNC(=O)c4ccccc4)cc3c2C1	9454615	KIEKGWLQGTYQMI-LSDHHAIUSA-N	419.481	3.299	50	40	HGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1O[C@@H](C)C(=O)N(C)C	13058344	MLKAEWMFFDOJKP-HZGBGQKMSA-N	413.518	3.297	50	40	HGGB	
O=C(/C=C/c1cccc2cccnc12)NNC(=O)COc1cccc(C(F)(F)F)c1	32899467	LCXLLUIFQVMSJW-MDZDMXLPSA-N	415.371	3.493	50	40	HGGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1C#N	59427702	PGJZSMQFCZVMIO-GZIVZEMBSA-N	407.257	3.244	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1	59433295	MOYRWOHEIVNJHI-LPYMAVHISA-N	407.382	3.334	50	40	HGGB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	102636099	KNGOOYFGULOOHX-PTEOKISQSA-N	417.072	3.108	50	40	HGGB	
CCC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)C(=O)c1ccccc1	408684519	NRCAHVBAMPZAMF-DHMVHTBWSA-N	421.287	3.152	50	40	HGGB	
COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1Cl	408870452	DVLWJRXFDUCIGJ-UHFFFAOYSA-N	415.943	3.331	50	40	HGGB	
N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408987148	ANHNPDPWVLQGKC-KMPOOHAWSA-N	410.455	3.343	50	40	HGGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC[C@H]1CCCO1	853961	PDDRUKQGLFYNLO-MUPHDSPYSA-N	407.426	3.376	50	40	HGGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3cccnc3)c2)c(C)c1	6165944	QVBOXRIJHUPTIO-OEAKJJBVSA-N	408.483	3.263	50	40	HGGB	
CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1	6440102	QGVWBISVMRDWOM-GFCCVEGCSA-N	405.907	3.467	50	40	HGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc(Br)c1OC	35324603	NAGAMFAAQBJQOY-INIZCTEOSA-N	402.248	3.267	50	40	HGGB	
CNC(=O)[C@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C	100868578	XVSGAGBRNAYWOJ-DADVEIPYSA-N	417.967	3.418	50	40	HGGB	
Cc1ccsc1/C=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O	408925874	RMLXDJMXIBRQSQ-QGMBQPNBSA-N	420.343	3.280	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c(OC)c1OC	8566760	UFIXSFIECXUOCN-CQSZACIVSA-N	410.455	3.382	50	40	HGGB	
COC(=O)c1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(C)cc2)cc1	12275148	QJQJWGUVKGCDQK-JPYJTQIMSA-N	420.490	3.425	50	40	HGGB	
N#C/C(=C\c1cccc2c1OCO2)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	40139710	WOYCIAAEXVHLIJ-XNTDXEJSSA-N	411.845	3.451	50	40	HGGB	
CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N/N=C1\C[C@@H]2CC[C@]1(C)C2(C)C	101720424	NGJGEZOOIPNHAW-YJFQFGFSSA-N	405.564	3.337	50	40	HGGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)NC(N)=O	409245069	MYRZLMKJCVIZTC-BOPFTXTBSA-N	415.405	3.219	50	40	HGGB	
Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1Br	3127324	LKUNRECOCRKIOP-FBCYGCLPSA-N	413.655	3.351	50	40	HGGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)C(=O)Nc1ccc(C)cc1	4401976	HAMYJMHEOYMGHZ-ZMOGYAJESA-N	400.866	3.416	50	40	HGGB	
COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Br	8160249	RVZCQVXCGUNYAI-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	40140689	NBYIWHXMWPYTCM-OAHLLOKOSA-N	416.522	3.389	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	58912476	LURYTMKNHNYAGE-SSDVNMTOSA-N	407.301	3.473	50	40	HGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(C(=O)O)cc1	408567435	DUGRRKCPCQGBNA-RGVLZGJSSA-N	402.497	3.393	50	40	HGGB	
Cc1ccccc1Nc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)C	408707638	LHWINMJULFJHGX-SRZZPIQSSA-N	417.307	3.476	50	40	HGGB	
COC(=O)Cn1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c2ccccc21	408768788	JLHXSWXDRIHZEC-JTRKRJOZSA-N	424.464	3.022	50	40	HGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1OC	409311259	ZAGTZCRBTFFLIW-JLPGSUDCSA-N	408.454	3.435	50	40	HGGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc1	1265946	WBKWAYZGBGAUBX-DNVCBOLYSA-N	409.511	3.276	50	40	HGGB	
N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)NC1CCCCC1	2203663	ISEDTEDGEOCUJG-FBMGVBCBSA-N	419.529	3.431	50	40	HGGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c21	2206456	YABBHFTZXUCCIO-FQEVSTJZSA-N	403.438	3.415	50	40	HGGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1	28214374	DNMASZLIHZRMQB-DZQSVEARSA-N	423.513	3.352	50	40	HGGB	
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N/N=C\c1ccc(F)cc1	39986440	UAMDTZADJIOSKA-HAHDFKILSA-N	417.506	3.299	50	40	HGGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc2c(c1)OCO2	1445239	DYUCNHUYPNPEFX-FBCYGCLPSA-N	411.639	3.360	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)csc2C1	6363914	QTUAIUZGEUEAFP-ACPUWCFLSA-N	418.559	3.407	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCC(=O)OC	9202273	CCJIMJNNCZKDIA-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cc(C)n[nH]1	9668299	HUTPLFATHYILOC-OMCISZLKSA-N	416.073	3.016	50	40	HGGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@]12C(=O)N1CCCc3cccc2c31	17093564	NSFNSJMIUUZMCG-MRDQGFSESA-N	423.472	3.342	50	40	HGGB	
COc1ccc(Br)cc1C(=O)NNC(=S)NCCCc1ccccc1	408586348	NRRLXXRGWRGRDV-UHFFFAOYSA-N	422.348	3.199	50	40	HGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(C#N)cc1	409197175	XQXOQTGNVJOZLD-LYCWOWIHSA-N	417.465	3.348	50	40	HGGB	
CC1(C)[C@@]2(C(N)=O)CC[C@]1(C(Br)Br)[C@H]2Br	4277161	WRGBBEYNVBRDQZ-PDFZIDOMSA-N	403.940	3.158	50	40	HGGB	
CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)c1	6440112	XDCJANDITLNJHK-GFCCVEGCSA-N	405.907	3.467	50	40	HGGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1ccc(Cl)cc1	9113717	LRBRITNOBRDXDX-AWEZNQCLSA-N	409.873	3.002	50	40	HGGB	
O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C\c1c(F)cccc1Cl	19849437	MDVKWRACXCBFJR-MSXFZWOLSA-N	423.319	3.400	50	40	HGGB	
Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(N)=C(C#N)O2	585145611	CKQAZIGRCMGSRB-OAQYLSRUSA-N	403.829	3.159	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1OC	2312577	XGTKVTPOUHKACF-YDZHTSKRSA-N	408.410	3.355	50	40	HGGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C1=COCCO1	17360744	MYLBWVSFAZAJBW-UHFFFAOYSA-N	409.829	3.204	50	40	HGGB	
CCCOc1ccc([C@@H]2[C@@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	20000616	VBIMHFQLMFGIGD-DENIHFKCSA-N	417.513	3.229	50	40	HGGB	
CNS(=O)(=O)c1cc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1OC	44249686	DNFOZNCWELLVEM-UHFFFAOYSA-N	411.483	3.086	50	40	HGGB	
COc1cc(Br)cc2cc(C(=O)NNC(=S)NC(C)(C)C)oc12	408585805	JLVMVISWVJDIEN-UHFFFAOYSA-N	400.298	3.111	50	40	HGGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408966775	NLACRJCDCIMPLG-ZVBGSRNCSA-N	406.211	3.241	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(CONC(=O)c3ccc(C)cc3)cc2)cc1	1396824	GTHVYKITMOBHAE-UHFFFAOYSA-N	417.465	3.240	50	40	HGGB	
CCOC(=O)c1cnc(NNC(=O)c2cccc(CCl)c2)nc1C(F)(F)F	2243839	ZVTUCOAPYVXDQL-UHFFFAOYSA-N	402.760	3.168	50	40	HGGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1	5032594	HGUJMJVRURCWNL-KOWBDXASSA-N	402.520	3.331	50	40	HGGB	
O=C(NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1	16099814	WSLHUTOKQDERKD-UHFFFAOYSA-N	424.103	3.379	50	40	HGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1	16215264	VCJLOXKTEGNNLJ-SFHVURJKSA-N	418.409	3.041	50	40	HGGB	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	35061199	XSEWQIKGZVRHGT-VNROVCATSA-N	401.466	3.465	50	40	HGGB	
COc1cc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)ccc1OCCC(C)C	40144634	RPWSZUKKIZETIZ-UHFFFAOYSA-N	407.448	3.165	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)NCC(C)C)c(C)n1-c1cccc(Br)c1	58903918	OJDAXUFFRNOUHV-SSDVNMTOSA-N	419.323	3.079	50	40	HGGB	
COc1ccc(CCNC(=O)CC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1OC	59435610	YHUQBFOUYIRJHN-UHFFFAOYSA-N	417.550	3.461	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OCC(=O)O	59679260	ZHQHSUVDKCIYLV-ODLFYWEKSA-N	406.438	3.110	50	40	HGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccccc4C(F)(F)F)[C@@H]13)[C@H]2Br	111992684	LSVHAPHLWTYENH-ZNOWBECESA-N	404.182	3.215	50	40	HGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C(=O)O)o2)cc1	409149879	TZXPXQZABNPEJQ-WSDLNYQXSA-N	423.381	3.254	50	40	HGGB	
Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4ccccc4O)c(=O)c23)cc1	1784610	SKTSFMDHCGAJCH-YSURURNPSA-N	418.478	3.289	50	40	HGGB	
Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)n1	2207160	ULCOWCRLORPTIL-KEBDBYFISA-N	400.895	3.081	50	40	HGGB	
C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc(S(=O)(=O)Nc2ncccn2)cc1	4809268	IQRJSDHZWNQVLX-STQMWFEESA-N	403.335	3.338	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1cccs1	15231302	LNRUHSMJWAQVOH-RGVLZGJSSA-N	419.450	3.073	50	40	HGGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(F)cc1	16669811	OPFMGANWNHJGRP-SDNWHVSQSA-N	411.414	3.279	50	40	HGGB	
Cc1c(Br)c(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1ccccc1	20243829	NJETYMMVGMBRJI-CIAFOILYSA-N	420.307	3.460	50	40	HGGB	
O=C(N/N=C/c1cc(Br)ccc1Nc1ccc(F)cc1)C(=O)NC1CC1	408708790	SSSDUNAHEZXEMP-UFFVCSGVSA-N	419.254	3.061	50	40	HGGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1	408935468	DXTDWCSZJBZMMH-VCHYOVAHSA-N	411.410	3.069	50	40	HGGB	
COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)OC)[C@H]1[C@H](C(Cl)(Cl)Cl)[C@H](Cl)[C@H]21	4473352	ZHFQQVKDSXTXHT-YJJFHSMGSA-N	402.101	3.220	50	40	HGGB	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OC	6641348	JINJTGKEMDWAOG-MBTVCVBTSA-N	407.264	3.304	50	40	HGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1	19682621	CTEDQWAINMCAEG-NLRVBDNBSA-N	421.589	3.109	50	40	HGGB	
O=C(CCBr)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	24738288	WZRZPHXDVRGIAV-UHFFFAOYSA-N	400.626	3.187	50	40	HGGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc3c(cc2Br)OCO3)c1	30721911	YWBJNOVAJMDMQH-ZBKNUEDVSA-N	405.248	3.324	50	40	HGGB	
CCOc1cc2c(cc1/C=N/NC(=O)COc1cccc(Br)c1)OCO2	409101379	SWSHXZRCVSLMPE-AWQFTUOYSA-N	421.247	3.106	50	40	HGGB	
Cc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(C)n1-c1cccc(Br)c1	857780	PKRQJTQOFIBUKA-CIAFOILYSA-N	420.307	3.460	50	40	HGGB	
COCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	2181759	INSHKLUFPYGINQ-GIJQJNRQSA-N	402.457	3.452	50	40	HGGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/N=C(NC(=O)c2ccccc2)c2ccccc21	2217559	XUPXFMQNCRGRSL-FCQUAONHSA-N	420.472	3.470	50	40	HGGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	5482968	PMASRISVTJCHIW-HZHRSRAPSA-N	411.458	3.171	50	40	HGGB	
COc1cc(Br)cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c1O	46428954	WYWVTEYSVPGGBZ-UFFVCSGVSA-N	402.248	3.337	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1cc(Cl)ccc1Cl	58912479	QKSRIQNYGDHKJT-SSDVNMTOSA-N	407.301	3.473	50	40	HGGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59250480	OTWDRJIFGMJIEG-ZMOGYAJESA-N	419.437	3.183	50	40	HGGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccc(Br)cc1	59425703	KPTPKLBKZBKWSZ-REZTVBANSA-N	414.053	3.387	50	40	HGGB	
CC(C)NC(=C(C#N)C#N)[C@]1(C#N)[C@@H](c2cccc(Br)c2)C1(C#N)C#N	78547372	JHTOBOLMISIACT-LPHOPBHVSA-N	405.259	3.389	50	40	HGGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	408765208	KSAYRIDYVARERV-GIJQJNRQSA-N	406.192	3.047	50	40	HGGB	
Cc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	408767781	ODGWFQUISAUZQF-PKAZHMFMSA-N	415.493	3.497	50	40	HGGB	
COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O	1083351	VGWCNWOLVJNBKL-ZVHZXABRSA-N	410.857	3.440	50	40	HGGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2C)cc([N+](=O)[O-])c1O	30802436	OXXMCJQBNWOVJX-UKWGHVSLSA-N	407.810	3.190	50	40	HGGB	
CC1(C)[C@H](CI)[C@@H](CI)C(C)(C)N1O	77273528	KZONKNJHXDBBBH-HTQZYQBOSA-N	423.076	3.351	50	40	HGGB	in-vitro
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H]1c1cccs1	100686391	WZTPXPWEUVKTTF-OEMFJLHTSA-N	423.501	3.208	50	40	HGGB	
CCOc1cc(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1O	108995410	RJRLIRYZQRXSGN-GRSHGNNSSA-N	422.235	3.154	50	40	HGGB	
N#C/C(=C/c1cc(Br)ccc1O)C(=O)N1CCN(c2ccccc2)CC1	408773961	NHYSRGJFZPJZBH-VBKFSLOCSA-N	412.287	3.410	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1O[C@@H](C)C(=O)O	409020691	SBTKANLOZZLFHY-KKBVUKDESA-N	421.247	3.074	50	40	HGGB	
Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Cl)cc1	2315074	OAZVMTWQCXLCES-KEBDBYFISA-N	401.879	3.084	50	40	HGGB	
O=C(N/N=C/c1ccncc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3284361	KGKQERXOCXSQFN-LPYMAVHISA-N	414.874	3.300	50	40	HGGB	
CCc1cccc(CC)c1-n1c(SCC(=O)NN)nnc1-c1ccc(OC)cc1	3223827	NDAGZLCMKDMMLF-UHFFFAOYSA-N	411.531	3.150	50	40	HGGB	
CCOC(=O)C1=C(C)N=C2C(C#N)=C(N3CCCC3)NN2[C@H]1c1ccc(Cl)cc1	104629503	VIRXAMFBASRZCW-SFHVURJKSA-N	411.893	3.281	50	40	HGGB	
C/C(=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1	408783906	OMDKWZSWHSEDOS-LPYMAVHISA-N	413.421	3.012	50	40	HGGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(N)=O	408875605	KNHNQRWYKBUIGY-NTUHNPAUSA-N	402.204	3.329	50	40	HGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408938901	MDXUEVUNBCZPPN-ZMOGYAJESA-N	408.433	3.331	50	40	HGGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1	882951	QDVFQMRASLWCAB-UHFFFAOYSA-N	421.526	3.098	50	40	HGGB	
C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204478	JPSSDSYHAABYFB-FYJGNVAPSA-N	401.260	3.163	50	40	HGGB	
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)cc2)N1C(=O)CCl	11692276	OVIYQPRIMZNGHW-RXVVDRJESA-N	412.873	3.431	50	40	HGGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)c1	12362437	CEZCFTZTMXJWLB-YDZHTSKRSA-N	403.866	3.169	50	40	HGGB	
CCc1sc(C(=O)NNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1C	12676798	YETJPKVQXORRSW-UHFFFAOYSA-N	410.499	3.065	50	40	HGGB	
O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)Nc1ccccc1	12773420	WFYCYDSDWDLAFM-UHFFFAOYSA-N	405.336	3.063	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1Cl	18285484	SPEBOHTVVHFGBZ-SSDVNMTOSA-N	412.833	3.363	50	40	HGGB	
C/C(=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1	19861410	BCNAYZOZPCHCTE-JLPGSUDCSA-N	402.901	3.137	50	40	HGGB	
O=C1c2c(sc3c2CCCC3)N[C@@H]2S[C@@H](CI)CN12	26895264	YIHAABDNQBXSEX-CPFSXVBKSA-N	406.314	3.329	50	40	HGGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(Cl)c1)S(C)(=O)=O	408768860	KMCQIPCDWRSALH-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)c(C)c(C#N)c2=O)cc1Cl	409062654	YKJFQRLJJVGVHJ-LSHDLFTRSA-N	411.874	3.200	50	40	HGGB	
O=C(NNC(=O)c1ccccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1	2726396	AXRAPSMBNCZIIK-UHFFFAOYSA-N	401.401	3.148	50	40	HGGB	
CCCNC(=O)N(NC(=O)Nc1ccc(C)cc1)c1nc(C(=O)OCC)cs1	5243459	PEUZXIDEVIXBBS-UHFFFAOYSA-N	405.480	3.291	50	40	HGGB	
O=C(N/N=C/c1cccnc1)C1CCN(Cc2ccc(Br)cc2)CC1	5635676	RCQRCRNWKSORNA-LPYMAVHISA-N	401.308	3.206	50	40	HGGB	
Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NNC(=O)c1ccccc1	40143100	QLLZSAVXAQZOHB-UHFFFAOYSA-N	413.275	3.326	50	40	HGGB	
C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C(C=O)[C@](O)(C(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12	253389711	YOWISNGQSRPIPP-GCOASSLTSA-N	402.487	3.374	50	40	HGGB	biogenic,in-vitro
Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl	408775424	SQQJVHQGIWUPRC-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1	409222609	COLKFXLYPPPDBG-UHFFFAOYSA-N	418.409	3.230	50	40	HGGB	
CCOC(=O)n1nc(NC(=O)c2ccc(F)cn2)c2c1C(C)(C)N(C(=O)Cl)C2	601014527	OEUQLTPSVVRLKE-UHFFFAOYSA-N	409.805	3.084	50	40	HGGB	
Cc1ccc(NC(=S)NNC(=O)COc2cc3c(C)cc(=O)oc3cc2C)cc1	6276007	PJLLLFUYZUSRQG-UHFFFAOYSA-N	411.483	3.115	50	40	HGGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@]2(C#N)C(=C(C#N)C#N)N2CCCCC2)cc1OC	35325224	FIQQPAPVEMDOQH-OFNKIYASSA-N	412.453	3.132	50	40	HGGB	
NNC(=O)/C=C/c1ccc(OCc2ccccc2F)c(I)c1	226333261	VRAKLGQZTHBNQY-SOFGYWHQSA-N	412.202	3.012	50	40	HGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)c1cccc([N+](=O)[O-])c1	409110811	AEYNQRFUAKNHCQ-NHDPSOOVSA-N	424.398	3.208	50	40	HGGB	
O=C(Cn1cnc2ccccc2c1=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	2758659	CNOJFBGPDRWOQA-BHGWPJFGSA-N	406.829	3.460	50	40	HGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)NCCc1c[nH]c2ccccc12	4698806	GQZPPNANNPYCCJ-CPNJWEJPSA-N	417.465	3.376	50	40	HGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(Br)c1	4722728	ZWYBUFCDOWVJRI-MDWZMJQESA-N	401.216	3.458	50	40	HGGB	
Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NNC(=O)c1ccccn1	8299863	NCHJNSFDJVHGDN-UHFFFAOYSA-N	414.465	3.454	50	40	HGGB	
CCOC(=O)c1ccc(NC(=O)NNC(=O)CSCc2ccc(C)cc2)cc1	13323951	HJGKQZZJXLAGTJ-UHFFFAOYSA-N	401.488	3.258	50	40	HGGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(N)c(C#N)c(N)c3C#N)o2)cc1	19927725	VYUUACQLKMFLOB-RIYZIHGNSA-N	410.393	3.100	50	40	HGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2ccccc2c1	408599226	QGLSAGFSRIPZRG-HZHRSRAPSA-N	404.426	3.349	50	40	HGGB	
N#CC1=C(S)NC(=O)[C@@H]([n+]2ccc(-c3ccncc3)cc2)[C@H]1c1ccc(F)cc1	2350571	ULUULDJKEUDMOF-PMACEKPBSA-O	403.462	3.295	50	40	HGGB	
COc1ccc(OCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(Br)c1	12362338	VXDVLOZUVNSLFG-YBFXNURJSA-N	422.235	3.285	50	40	HGGB	
O=C(CSc1n[nH]c(/C=C/c2ccccc2)n1)NNC(=O)c1ccc(Cl)cc1	12834783	TVFMRQRVCZDTRS-IZZDOVSWSA-N	413.890	3.182	50	40	HGGB	
O=C(NCc1ccc(CN2CCOCC2)cc1)[C@]12CC[C@@H](C[C@@H]1Br)C2	101779065	GXZUWSLPCHLNFS-BJLQDIEVSA-N	407.352	3.089	50	40	HGGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	113481798	VOQSETZICCUBBU-QGZVFWFLSA-N	419.422	3.331	50	40	HGGB	
O=C(CI)Nc1ccc(N(CCCl)CCCl)cc1	1558028	YCAUKFNNTSGREH-UHFFFAOYSA-N	401.075	3.344	50	40	HGGB	
C[C@]12[C@@H](I)[C@@H]3[C@H]4C[C@@H]5[C@H]([C@H](I)[C@@H]1[C@@H]53)[C@@H]42	100884666	YYOJUCRKMCIPST-LUUPFCFASA-N	412.052	3.371	50	40	HGGB	
O=[N+]([O-])c1ccc(N/N=C2/[C@@H]3[C@H]4[C@H]5[C@H]6C[C@@H]([C@@H]25)[C@H]3[C@@H]6[C@@H]4Br)c([N+](=O)[O-])c1	104202607	NQFULNLZXDXRAN-KYHWGEFMSA-N	419.235	3.422	50	40	HGGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	1423083	LWMOFVBIVYBRMP-QHCPKHFHSA-N	418.403	3.376	50	40	HGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1ccc(N2CCOCC2)cc1	4075074	NCDQCLZORWAESY-IBGZPJMESA-N	417.444	3.271	50	40	HGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCCCC3)cc2F)n1	6964274	MSJSOIMVNFYESB-WSDLNYQXSA-N	401.511	3.465	50	40	HGGB	
COCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2	8973531	UIGJMVMUNLFTDA-HXUWFJFHSA-N	418.453	3.362	50	40	HGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F	12752007	MCZMASNKCOYDTQ-UHFFFAOYSA-N	409.439	3.020	50	40	HGGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3cccc(C(N)=O)c3)c3ccccc3n2)cc1	12895064	RIVYIPKAEZHRGN-UHFFFAOYSA-N	424.460	3.384	50	40	HGGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409189116	ITBJGVSERVJSFU-ZSOIEALJSA-N	406.866	3.256	50	40	HGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)c1	5408861	NHWQNHBDNVNHMX-SFHVURJKSA-N	404.426	3.321	50	40	HGGB	
O=C(N/N=C/c1ccccc1F)c1nn(Cc2ccccc2)c(=O)c2ccccc12	6252286	JFOVUFVLBOPSCA-AFUMVMLFSA-N	400.413	3.348	50	40	HGGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1	6261752	MKXJSCYTSKOSLD-CJLVFECKSA-N	401.532	3.291	50	40	HGGB	
CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1	18165188	NCWSCABRAYROHG-ROMGYVFFSA-N	404.470	3.360	50	40	HGGB	
Cc1cc(/C=N/NC(=O)C(=O)N2CCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	58912463	RZBZYMZLMWGNHG-SSDVNMTOSA-N	407.301	3.473	50	40	HGGB	
O=C(N/N=C/c1ccncc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409007471	WOWMMZBTMSIFGB-FSJBWODESA-N	405.285	3.391	50	40	HGGB	
COc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1	3170417	DOXBKJVHKSUNBY-WGOQTCKBSA-N	401.466	3.094	50	40	HGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	6441253	OSUNZEKHPZXWPH-LPYMAVHISA-N	400.431	3.050	50	40	HGGB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	7928240	IDKRJYUEJWVWBB-INIZCTEOSA-N	413.905	3.279	50	40	HGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OC	8410201	DYEVFEBEKNNZDV-QGZVFWFLSA-N	418.409	3.041	50	40	HGGB	
C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2c(c1)OCCO2	9141031	SIMNOAXBSHDYHL-OEAKJJBVSA-N	423.498	3.033	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(OCc2cscn2)c1	12824844	UXOSCFQKPDMTGP-UHFFFAOYSA-N	411.483	3.179	50	40	HGGB	
CC(C)N1C(=O)/C(=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	100085808	KULBWXPRTZGKQK-CAPFRKAQSA-N	402.248	3.044	50	40	HGGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1	408611622	REUUQSPXZOPEIW-ZMOGYAJESA-N	417.893	3.294	50	40	HGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)o1	409223530	FUUBSBLBGSKRQH-WSDLNYQXSA-N	423.381	3.414	50	40	HGGB	
COc1cccc2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)cc(C)nc12	871168	ASGRTQXQOVMSGE-SSDVNMTOSA-N	409.467	3.492	50	40	HGGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(F)cc4)c32)cc1OC	9374483	YJFIXRZGUVZLDU-SFHVURJKSA-N	422.416	3.460	50	40	HGGB	
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C(C#N)(C#N)C(N)=C(C#N)[C@H]1c1ccccc1	27271304	GMYMBCMLJSQZQS-TYBLODHISA-N	421.460	3.411	50	40	HGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(I)ccc2O)c(C)c1	30760607	CNCPWSIEWCLGHR-OCKHKDLRSA-N	424.238	3.143	50	40	HGGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)c1	59435816	BMYIBALKHKZXNB-UDWIEESQSA-N	402.248	3.103	50	40	HGGB	
C[C@@]12C(=O)N(C3CCCCC3)C(=O)[C@H]1[C@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	100859888	GZLDHLQJQPOCIY-IDODXLPYSA-N	419.157	3.487	50	40	HGGB	
NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2	245225866	VUBVNWRXPHTIHJ-AKSBMLQJSA-N	421.975	3.205	50	40	HGGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409171213	YTDHTIMMXWTTDB-RPPGKUMJSA-N	420.513	3.484	50	40	HGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O1	717985	BNIYGJKRERNMGB-KRWDZBQOSA-N	402.447	3.137	50	40	HGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4cccs4)c(=O)c32)cc1	1268852	MBRFPZOWICWALP-IBGZPJMESA-N	405.479	3.493	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCCO2	23199900	XTGOOACIUHNIJB-UHFFFAOYSA-N	416.499	3.129	50	40	HGGB	
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)csc2C1	102258207	PTWCJPFXFLLWTL-LNINBKOHSA-N	416.543	3.183	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1O[C@@H](C)C(=O)O	409013810	VWBOVVMKYPGUQA-KKBVUKDESA-N	421.247	3.074	50	40	HGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409051082	IKLVCUBZUMFMMK-SSDVNMTOSA-N	404.850	3.363	50	40	HGGB	
C#CCOc1ccccc1/C=N/NC(=O)c1ccc(I)cc1	10118582	HBYRXSZSYHJLJN-XDHOZWIPSA-N	404.207	3.067	50	40	HGGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OC(C)C)cc1)S(C)(=O)=O	20213868	CJNHOGBUEKJOFF-LPYMAVHISA-N	417.531	3.007	50	40	HGGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Br)[C@@H]3[C@@H]1CC2	100675573	KJLBUTKDFBUFCK-TUCQFJRYSA-N	420.314	3.335	50	40	HGGB	
Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)c(C)o1	102455899	DNPZKDJSDNJFGY-BSYVCWPDSA-N	418.409	3.486	50	40	HGGB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4C=CC(C#N)=C[C@@H]4[C@@H]3C2=O)cc1	253487812	QXAZVKPNPDQSMN-MLNNCEHLSA-N	409.445	3.014	50	40	HGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1Br	408592457	YHHCFCUVXYKOOL-CAOOACKPSA-N	423.179	3.038	50	40	HGGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	3085692	BYQBHWCTZRMACY-WYMPLXKRSA-N	411.845	3.279	50	40	HGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC	6180777	HCHDDDFFAWKWJQ-GIJQJNRQSA-N	408.208	3.138	50	40	HGGB	
Cc1nnc(NC(=O)CCC(=O)O[C@H](CCCl)C(=O)c2ccc(F)cc2)s1	8474418	HMRAPNJVAKFQJP-CYBMUJFWSA-N	413.858	3.128	50	40	HGGB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NNC(=O)Nc3ccccc3F)nc2)C1	24970008	HDZRKUJTDOHVLC-KBPBESRZSA-N	421.498	3.036	50	40	HGGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	58900737	IKPWJMFLGBRADO-LPYMAVHISA-N	404.382	3.317	50	40	HGGB	
COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccccc1C	409008128	UGXGPFNDAXPCQF-MXAYSNPKSA-N	418.453	3.180	50	40	HGGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1OC	2484160	WDTBAFWZMMPECN-QGZVFWFLSA-N	419.397	3.220	50	40	HGGB	
COc1ccc(-c2cc(C(=O)OCC(=O)/C(C#N)=C(\C)N)c3ccccc3n2)cc1	4828894	UVAINDPLTOMAJS-XMHGGMMESA-N	401.422	3.393	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Br)c1O	8810998	ZNYFPRUTVOEDKS-KEBDBYFISA-N	423.263	3.335	50	40	HGGB	
C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36042371	QKGUSYJTTALSEU-NTOSSWPYSA-N	407.224	3.014	50	40	HGGB	
CCN(CC)c1cc2c(cc1NC(=O)[C@@H](Br)C(C)C)n(C)c(=O)n2C	408530668	MLJLHXQXLHIECR-INIZCTEOSA-N	411.344	3.081	50	40	HGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	702288	KSIADTVUCPKXDZ-NRFANRHFSA-N	413.433	3.152	50	40	HGGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC	806337	VMXNNUFOEXFIKL-MRXNPFEDSA-N	410.455	3.382	50	40	HGGB	
COc1ccc(/C(=C/C(=O)NNc2ncc(C(F)(F)F)cc2Cl)C(=O)O)cc1	1398099	YQBGILOSKKOTNH-GHXNOFRVSA-N	415.755	3.374	50	40	HGGB	
COc1cc(CCC(=O)NNc2c(F)c(F)cc(F)c2F)cc(OC)c1OC	2658587	PVJDTDRGJPHDLU-UHFFFAOYSA-N	402.344	3.345	50	40	HGGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(CCO)cc4)CSC3=C2C#N)cc1	6803950	PUWWQHRXMXRJQZ-HXUWFJFHSA-N	421.522	3.449	50	40	HGGB	
CC(C)(C)OC(=O)N1CC=C2[C@H](C1)[C@H](c1cccc(F)c1)C(C#N)=C(N)C2(C#N)C#N	20026768	JDVGBLCPXZGUGP-PKOBYXMFSA-N	419.460	3.486	50	40	HGGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3C(F)(F)F)CC2=O)cc1	38161716	XLJQDCHGTVOFCX-DBJNPDTESA-N	405.376	3.217	50	40	HGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NCc2cccnc2)c(C)n1-c1ccccc1Cl	58914289	UMYHHLWVWFEDIA-WGARJPEWSA-N	423.904	3.299	50	40	HGGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	59444717	LRMCXLKJRRIORR-PCLIKHOPSA-N	416.481	3.420	50	40	HGGB	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C	2234422	BXIWOGAOTWXXSZ-SRZZPIQSSA-N	415.906	3.387	50	40	HGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1O	2293960	URNNHLKSFWTMMD-KEBDBYFISA-N	421.247	3.089	50	40	HGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)Nc1ccccc1C	4697847	YZTHPODPUXFGIJ-WGOQTCKBSA-N	406.486	3.333	50	40	HGGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1	23805561	HWMNDRQXZYDNTP-ZDUSSCGKSA-N	422.363	3.105	50	40	HGGB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccc(Br)c1	101152308	YPVDCNGTIPAXOS-ATVHPVEESA-N	413.275	3.380	50	40	HGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(O)c(Br)c1	109823701	HNDCAGVCCPOBCE-LSCVHKIXSA-N	412.627	3.409	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc([N+](=O)[O-])cc2)=C(C#N)[C@@H]1c1ccccc1	409148442	ZDOFTPSDXGOCRE-ROUUACIJSA-N	423.450	3.266	50	40	HGGB	
Cc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1	4121381	UQUGEYWRKVDIPE-UHFFFAOYSA-N	416.528	3.146	50	40	HGGB	
Cc1ccccc1N1C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C1=O	18256115	RSENKQGFQBGRLI-FIQHERPVSA-N	401.098	3.421	50	40	HGGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1	20211974	JWTKMRFJLDNGES-AWQFTUOYSA-N	418.277	3.049	50	40	HGGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)c1cnc(OCC(F)(F)F)c(Cl)c1	40120809	NAPHJHGLPKDSPU-UHFFFAOYSA-N	412.755	3.232	50	40	HGGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccccc2)c1C	408926980	XBPRLAWMZZHSOA-BUVRLJJBSA-N	422.510	3.044	50	40	HGGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1NC(=O)c1ccccc1	409201886	OYMITPVMBGIZFQ-LPYMAVHISA-N	405.414	3.161	50	40	HGGB	
O=C(OC(=O)[C@H](Br)CC(F)(F)F)[C@H](Br)CC(F)(F)F	885164034	DPAVLQLMPXIPHX-QWWZWVQMSA-N	423.929	3.488	50	40	HGGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	6474935	PMHVPMSGVHCXBU-YZSQISJMSA-N	401.466	3.075	50	40	HGGB	
Cc1ccc2nc(COc3cccc(C(=O)NNC(=O)Cc4ccccc4)c3)cn2c1	11646927	QYRYSCRSOCUEHI-UHFFFAOYSA-N	414.465	3.225	50	40	HGGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1	17203133	KPOWSVCMHSYOCC-UHFFFAOYSA-N	423.494	3.457	50	40	HGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(NC(C)=O)c3)o2)c1	33664050	LXKHMSJDSJMBLP-YDZHTSKRSA-N	405.410	3.456	50	40	HGGB	
O=C(NNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1c[nH]c2ccccc12	58201671	NTNZHZLEAJNFHZ-UHFFFAOYSA-N	405.454	3.212	50	40	HGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	59960296	HWRMTGJWWUNRJB-ZVHZXABRSA-N	404.470	3.500	50	40	HGGB	
CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C2/C(=O)Nc3ccccc32)C1	97962597	WTBKCPCPWFYJGL-KRWDZBQOSA-N	412.534	3.448	50	40	HGGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O)c1cccc(Cl)c1	100901549	FQVGCLAAYRZBPM-ZDUSSCGKSA-N	412.660	3.213	50	40	HGGB	
CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(C)c(Cl)c1	408706944	FMRCTIJLMQEBRZ-ZVBGSRNCSA-N	423.698	3.351	50	40	HGGB	
O=C(NNC(=S)NCc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1	2793917	JLGJTBMURQSWKL-UHFFFAOYSA-N	401.385	3.232	50	40	HGGB	
COc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC	6511537	BDUIKKXLOQNTTA-CSKARUKUSA-N	405.410	3.102	50	40	HGGB	
COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1I	1444795	NTEZZQCSPCWJES-KEBDBYFISA-N	423.254	3.170	50	40	HGGB	
O=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1ccc(O)cc1O	1825806	ZEPYIAGRHZAARE-ZVBGSRNCSA-N	411.370	3.101	50	40	HGGB	
COc1ccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1	18158438	LNPBULPTWCKZSR-UHFFFAOYSA-N	400.287	3.399	50	40	HGGB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(N)=O)cc2Cl)cc1	408893069	FBOWIXCSIUXKRC-UFWORHAWSA-N	402.259	3.072	50	40	HGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409070518	YWLXXUWFIIJUSX-QGMBQPNBSA-N	408.208	3.144	50	40	HGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCC(=O)OC	409237441	UNUSTJKZBVDDJW-ZHZULCJRSA-N	422.481	3.293	50	40	HGGB	
Cc1c(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	1446782	YLTNPUSKVUQIPV-NBVRZTHBSA-N	401.470	3.096	50	40	HGGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cc(Cl)nc(Cl)c1	2159024	NGYBDXMTEROSKH-UHFFFAOYSA-N	415.085	3.319	50	40	HGGB	
COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C	5007106	ISCFMFVOFQWSJW-UHFFFAOYSA-N	411.823	3.181	50	40	HGGB	
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCSSCC2)cc1	95448207	ANFKDHKDWYIXTC-UHFFFAOYSA-N	424.569	3.333	50	40	HGGB	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	3327611	WCDVPIWOPWJBPZ-QFIPXVFZSA-N	402.450	3.196	50	40	HGGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	6355285	VNOFLEWBGLGUSQ-QGZVFWFLSA-N	411.483	3.067	50	40	HGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cncn3)cc2)cc1	8392152	GQBMFHUUZWJCLQ-UHFFFAOYSA-N	407.474	3.301	50	40	HGGB	
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Br)[C@@H]3[C@H]1CC2	8926176	KJLBUTKDFBUFCK-BTINSWFASA-N	420.314	3.335	50	40	HGGB	
Cc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(C)(=O)=O)cc1	19954561	AZXSQOBMNOIIMN-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	20086139	JDXCEEBVSXCKRT-XCLFUZPHSA-N	415.449	3.316	50	40	HGGB	
COC(=O)c1ccc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	826156	PIVXIKRUTHZGEX-UFFVCSGVSA-N	408.241	3.259	50	40	HGGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1	19869142	KAJCWJLKZXVGJH-HPUKLSIHSA-N	401.466	3.218	50	40	HGGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCCN1CCOCC1	27025926	MYLFRTDGSXYJFN-DTQAZKPQSA-N	419.403	3.321	50	40	HGGB	
CO/N=C\C(C#N)=C\C=C\Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	104210881	UDVMGMNVLPWLHW-XZNKUTOHSA-N	401.448	3.100	50	40	HGGB	
Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408855235	DQLZVLWLKWSRLY-FBHDLOMBSA-N	411.439	3.316	50	40	HGGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccco2)c2ccccc2)cc1	408977045	CLVVQFHVQVGYJJ-INKLHFNDSA-N	411.483	3.148	50	40	HGGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	13573626	VOQSETZICCUBBU-KRWDZBQOSA-N	419.422	3.331	50	40	HGGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	34719649	RJNRAAXLOFBRIM-JLPGSUDCSA-N	421.453	3.427	50	40	HGGB	
O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc([N+](=O)[O-])o1	59459344	BKSBYDLPTRMBCX-DJKKODMXSA-N	422.235	3.358	50	40	HGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(I)cc(C)c2O)cc1	9934815	GYOCZPXAOJGHAA-AWQFTUOYSA-N	423.254	3.176	50	40	HGGB	
Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1	13661466	PZKDBBORLLAPFG-SJORKVTESA-N	420.494	3.089	50	40	HGGB	
CNC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(OC)cc2)C(=O)N1c1cc(C)ccc1C	36635932	XFWDFGARVMEKPB-KNOQIOAQSA-N	421.522	3.484	50	40	HGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(N(C)C)cc1	408606984	RZTKVTVAZIDINU-GOSISDBHSA-N	410.547	3.006	50	40	HGGB	
Cc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1	408775644	ISEHJJGDLUPAEW-KEBDBYFISA-N	414.314	3.218	50	40	HGGB	
Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccccn3)cc2)S(C)(=O)=O)cc1	409028225	JOQHZCCLJVWESJ-BUVRLJJBSA-N	422.510	3.120	50	40	HGGB	
Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2246604	RJIFCWGRYKQLPR-MRXNPFEDSA-N	419.312	3.243	50	40	HGGB	
C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	22873507	HURYMDXXXRVWBN-OCCSQVGLSA-N	407.580	3.211	50	40	HGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	408926605	YURBTHZOPIHXJT-KEBDBYFISA-N	423.263	3.247	50	40	HGGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NC(N)=O	409228657	CEORJLJYLSONAQ-ZSOIEALJSA-N	400.232	3.130	50	40	HGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Br)c1OC	7009250	ASJBEFXGJWOZQC-SRZZPIQSSA-N	406.280	3.419	50	40	HGGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3Cl)c3ccccc31)C(C#N)=C(N)O2	8969053	SHOAWOBZDCNVLJ-QFIPXVFZSA-N	417.856	3.291	50	40	HGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	9203168	ZDNOAWHSLLENAR-VXLYETTFSA-N	422.235	3.067	50	40	HGGB	
N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H]1c1cccs1	100686386	WZTPXPWEUVKTTF-QPTUXGOLSA-N	423.501	3.208	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CC1	408610523	NQCNIHOTADMSLG-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
COc1cc(C(=O)N/N=C/c2nc3ccccc3n2CC(C)C)cc(OC)c1OC	4107571	BNRFYGAAFUPXQG-FSJBWODESA-N	410.474	3.482	50	40	HGGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccccc1	409130177	KOJOPAQUJVYVAE-ROUUACIJSA-N	423.450	3.266	50	40	HGGB	
CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(N4CCOCC4)cc3)ccc21	5160860	YDLLYVZDWLZQQT-PCLIKHOPSA-N	405.502	3.355	50	40	HGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1O	8569237	WRUADZCKGKNEQG-GOSISDBHSA-N	418.409	3.128	50	40	HGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	28213890	FMZCWMGRHWHSJQ-SSDVNMTOSA-N	419.934	3.486	50	40	HGGB	
COC(=O)c1nc(-c2ccc(OC)cc2)oc1NNC(=O)C(F)(F)c1ccccc1	28293779	XZCSVUCSJGNJPX-UHFFFAOYSA-N	417.368	3.372	50	40	HGGB	
O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)NC1CC1	408608952	IQKRSXLSPRBIPX-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CC1	408612969	XYMDHJBCHVRTGZ-LSHDLFTRSA-N	406.269	3.301	50	40	HGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)OC	408813150	FMRMBLNNFFWEFX-MOSHPQCFSA-N	420.465	3.199	50	40	HGGB	
CCO[Si](OCC)(OCC)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1	1563581333	VZHLNPYMOFPDAU-UHFFFAOYSA-N	406.395	3.254	50	40	HGGB